USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 383 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -160:sc= 0.0158 USER MOD Single : A 9 TYR OH : rot -137:sc= 1.27 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.595 K(o=0.6,f=-0.34) USER MOD Single : A 26 GLN : amide:sc= -0.478! K(o=-0.48!,f=-2.1) USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.04) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -14.025 1.752 6.437 1.00 0.00 N HETATM 2 CA PCA A 1 -12.982 2.203 5.538 1.00 0.00 C HETATM 3 CB PCA A 1 -11.657 1.814 6.172 1.00 0.00 C HETATM 4 CG PCA A 1 -12.006 1.093 7.455 1.00 0.00 C HETATM 5 CD PCA A 1 -13.524 1.006 7.409 1.00 0.00 C HETATM 6 OE PCA A 1 -14.187 0.311 8.188 1.00 0.00 O HETATM 7 C PCA A 1 -13.129 1.542 4.179 1.00 0.00 C HETATM 8 O PCA A 1 -12.963 0.331 4.047 1.00 0.00 O HETATM 0 H2 PCA A 1 -13.910 2.214 7.362 1.00 0.00 H new HETATM 0 HA PCA A 1 -13.041 3.281 5.385 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -11.080 1.171 5.507 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -11.047 2.695 6.373 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -11.548 0.105 7.498 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -11.661 1.642 8.331 1.00 0.00 H new ATOM 15 N ARG A 2 -13.501 2.324 3.195 1.00 0.00 N ATOM 16 CA ARG A 2 -13.655 1.835 1.831 1.00 0.00 C ATOM 17 C ARG A 2 -12.675 2.543 0.908 1.00 0.00 C ATOM 18 O ARG A 2 -12.009 1.907 0.093 1.00 0.00 O ATOM 19 CB ARG A 2 -15.105 2.030 1.344 1.00 0.00 C ATOM 20 CG ARG A 2 -15.361 1.637 -0.117 1.00 0.00 C ATOM 21 CD ARG A 2 -15.097 0.156 -0.393 1.00 0.00 C ATOM 22 NE ARG A 2 -15.343 -0.173 -1.806 1.00 0.00 N ATOM 23 CZ ARG A 2 -15.363 -1.405 -2.345 1.00 0.00 C ATOM 24 NH1 ARG A 2 -15.116 -2.479 -1.606 1.00 0.00 N ATOM 25 NH2 ARG A 2 -15.635 -1.546 -3.640 1.00 0.00 N ATOM 0 H ARG A 2 -13.707 3.317 3.308 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.436 0.767 1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -15.768 1.446 1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -15.378 3.077 1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -16.394 1.870 -0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -14.727 2.241 -0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -14.066 -0.087 -0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -15.738 -0.455 0.243 1.00 0.00 H new ATOM 0 HE ARG A 2 -15.515 0.609 -2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.907 -2.378 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -15.135 -3.406 -2.031 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -15.826 -0.724 -4.213 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -15.653 -2.476 -4.059 1.00 0.00 H new ATOM 39 N GLY A 3 -12.578 3.855 1.057 1.00 0.00 N ATOM 40 CA GLY A 3 -11.671 4.636 0.234 1.00 0.00 C ATOM 41 C GLY A 3 -10.250 4.474 0.689 1.00 0.00 C ATOM 42 O GLY A 3 -9.304 4.645 -0.092 1.00 0.00 O ATOM 0 H GLY A 3 -13.113 4.397 1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.760 4.324 -0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.952 5.688 0.277 1.00 0.00 H new ATOM 46 N SER A 4 -10.112 4.126 1.946 1.00 0.00 N ATOM 47 CA SER A 4 -8.848 3.892 2.572 1.00 0.00 C ATOM 48 C SER A 4 -8.150 2.706 1.883 1.00 0.00 C ATOM 49 O SER A 4 -8.734 1.630 1.765 1.00 0.00 O ATOM 50 CB SER A 4 -9.114 3.566 4.029 1.00 0.00 C ATOM 51 OG SER A 4 -10.007 4.527 4.595 1.00 0.00 O ATOM 0 H SER A 4 -10.905 3.996 2.574 1.00 0.00 H new ATOM 0 HA SER A 4 -8.203 4.767 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.542 2.567 4.113 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.176 3.559 4.585 1.00 0.00 H new ATOM 0 HG SER A 4 -9.929 4.511 5.572 1.00 0.00 H new ATOM 57 N PRO A 5 -6.897 2.878 1.439 1.00 0.00 N ATOM 58 CA PRO A 5 -6.159 1.840 0.705 1.00 0.00 C ATOM 59 C PRO A 5 -5.964 0.546 1.510 1.00 0.00 C ATOM 60 O PRO A 5 -5.780 -0.533 0.933 1.00 0.00 O ATOM 61 CB PRO A 5 -4.809 2.496 0.399 1.00 0.00 C ATOM 62 CG PRO A 5 -4.696 3.626 1.359 1.00 0.00 C ATOM 63 CD PRO A 5 -6.095 4.102 1.600 1.00 0.00 C ATOM 0 HA PRO A 5 -6.705 1.525 -0.184 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.990 1.788 0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -4.768 2.849 -0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.228 3.303 2.289 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.077 4.425 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.209 4.530 2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.387 4.872 0.886 1.00 0.00 H new ATOM 71 N ARG A 6 -6.025 0.645 2.837 1.00 0.00 N ATOM 72 CA ARG A 6 -5.884 -0.527 3.691 1.00 0.00 C ATOM 73 C ARG A 6 -7.090 -1.458 3.546 1.00 0.00 C ATOM 74 O ARG A 6 -6.986 -2.652 3.805 1.00 0.00 O ATOM 75 CB ARG A 6 -5.630 -0.128 5.152 1.00 0.00 C ATOM 76 CG ARG A 6 -5.392 -1.293 6.114 1.00 0.00 C ATOM 77 CD ARG A 6 -4.939 -0.790 7.476 1.00 0.00 C ATOM 78 NE ARG A 6 -3.639 -0.096 7.387 1.00 0.00 N ATOM 79 CZ ARG A 6 -3.251 0.936 8.153 1.00 0.00 C ATOM 80 NH1 ARG A 6 -4.037 1.382 9.130 1.00 0.00 N ATOM 81 NH2 ARG A 6 -2.066 1.499 7.947 1.00 0.00 N ATOM 0 H ARG A 6 -6.170 1.521 3.339 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.007 -1.083 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.764 0.533 5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.484 0.448 5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.309 -1.873 6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.638 -1.963 5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.689 -0.111 7.883 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.859 -1.629 8.168 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.980 -0.429 6.684 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.940 0.939 9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.736 2.166 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.455 1.147 7.210 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.766 2.283 8.526 1.00 0.00 H new ATOM 95 N ALA A 7 -8.210 -0.918 3.066 1.00 0.00 N ATOM 96 CA ALA A 7 -9.391 -1.729 2.820 1.00 0.00 C ATOM 97 C ALA A 7 -9.067 -2.731 1.739 1.00 0.00 C ATOM 98 O ALA A 7 -9.299 -3.935 1.892 1.00 0.00 O ATOM 99 CB ALA A 7 -10.559 -0.863 2.393 1.00 0.00 C ATOM 0 H ALA A 7 -8.319 0.071 2.843 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.675 -2.244 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.432 -1.491 2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.785 -0.143 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.302 -0.331 1.477 1.00 0.00 H new ATOM 105 N GLU A 8 -8.448 -2.224 0.683 1.00 0.00 N ATOM 106 CA GLU A 8 -8.020 -3.020 -0.447 1.00 0.00 C ATOM 107 C GLU A 8 -6.972 -4.017 0.003 1.00 0.00 C ATOM 108 O GLU A 8 -6.975 -5.163 -0.419 1.00 0.00 O ATOM 109 CB GLU A 8 -7.426 -2.121 -1.510 1.00 0.00 C ATOM 110 CG GLU A 8 -8.363 -1.048 -2.011 1.00 0.00 C ATOM 111 CD GLU A 8 -7.686 -0.162 -3.001 1.00 0.00 C ATOM 112 OE1 GLU A 8 -7.303 0.979 -2.637 1.00 0.00 O ATOM 113 OE2 GLU A 8 -7.444 -0.606 -4.144 1.00 0.00 O ATOM 0 H GLU A 8 -8.228 -1.232 0.590 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.880 -3.550 -0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.530 -1.647 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.111 -2.735 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.237 -1.510 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.721 -0.453 -1.171 1.00 0.00 H new ATOM 120 N TYR A 9 -6.085 -3.559 0.881 1.00 0.00 N ATOM 121 CA TYR A 9 -5.038 -4.396 1.460 1.00 0.00 C ATOM 122 C TYR A 9 -5.638 -5.630 2.126 1.00 0.00 C ATOM 123 O TYR A 9 -5.198 -6.759 1.888 1.00 0.00 O ATOM 124 CB TYR A 9 -4.223 -3.594 2.496 1.00 0.00 C ATOM 125 CG TYR A 9 -3.183 -4.408 3.241 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.431 -4.877 4.530 1.00 0.00 C ATOM 127 CD2 TYR A 9 -1.975 -4.726 2.652 1.00 0.00 C ATOM 128 CE1 TYR A 9 -2.502 -5.642 5.202 1.00 0.00 C ATOM 129 CE2 TYR A 9 -1.039 -5.488 3.321 1.00 0.00 C ATOM 130 CZ TYR A 9 -1.307 -5.947 4.596 1.00 0.00 C ATOM 131 OH TYR A 9 -0.377 -6.720 5.263 1.00 0.00 O ATOM 0 H TYR A 9 -6.072 -2.594 1.212 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.378 -4.718 0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.725 -2.768 1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.910 -3.155 3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.368 -4.637 5.011 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.760 -4.373 1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.712 -6.000 6.199 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.098 -5.725 2.848 1.00 0.00 H new ATOM 0 HH TYR A 9 0.517 -6.338 5.137 1.00 0.00 H new ATOM 141 N GLU A 10 -6.647 -5.412 2.931 1.00 0.00 N ATOM 142 CA GLU A 10 -7.270 -6.487 3.653 1.00 0.00 C ATOM 143 C GLU A 10 -8.089 -7.377 2.731 1.00 0.00 C ATOM 144 O GLU A 10 -8.121 -8.594 2.913 1.00 0.00 O ATOM 145 CB GLU A 10 -8.080 -5.953 4.815 1.00 0.00 C ATOM 146 CG GLU A 10 -7.240 -5.110 5.759 1.00 0.00 C ATOM 147 CD GLU A 10 -7.980 -4.683 6.980 1.00 0.00 C ATOM 148 OE1 GLU A 10 -8.770 -3.728 6.913 1.00 0.00 O ATOM 149 OE2 GLU A 10 -7.783 -5.307 8.043 1.00 0.00 O ATOM 0 H GLU A 10 -7.055 -4.493 3.102 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.486 -7.119 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.908 -5.354 4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.516 -6.787 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.358 -5.678 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.886 -4.226 5.229 1.00 0.00 H new ATOM 156 N VAL A 11 -8.711 -6.786 1.714 1.00 0.00 N ATOM 157 CA VAL A 11 -9.445 -7.573 0.726 1.00 0.00 C ATOM 158 C VAL A 11 -8.459 -8.440 -0.071 1.00 0.00 C ATOM 159 O VAL A 11 -8.736 -9.597 -0.364 1.00 0.00 O ATOM 160 CB VAL A 11 -10.309 -6.690 -0.228 1.00 0.00 C ATOM 161 CG1 VAL A 11 -11.013 -7.542 -1.275 1.00 0.00 C ATOM 162 CG2 VAL A 11 -11.345 -5.912 0.567 1.00 0.00 C ATOM 0 H VAL A 11 -8.722 -5.779 1.553 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.145 -8.213 1.264 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.640 -5.994 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.608 -6.901 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.271 -8.074 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.665 -8.261 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.940 -5.301 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.997 -6.608 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.842 -5.268 1.289 1.00 0.00 H new ATOM 172 N CYS A 12 -7.298 -7.871 -0.372 1.00 0.00 N ATOM 173 CA CYS A 12 -6.193 -8.581 -1.028 1.00 0.00 C ATOM 174 C CYS A 12 -5.837 -9.845 -0.240 1.00 0.00 C ATOM 175 O CYS A 12 -5.655 -10.936 -0.817 1.00 0.00 O ATOM 176 CB CYS A 12 -4.962 -7.650 -1.136 1.00 0.00 C ATOM 177 SG CYS A 12 -3.432 -8.445 -1.744 1.00 0.00 S ATOM 0 H CYS A 12 -7.089 -6.894 -0.168 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.503 -8.874 -2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.210 -6.822 -1.800 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.764 -7.222 -0.153 1.00 0.00 H new ATOM 182 N ARG A 13 -5.783 -9.706 1.086 1.00 0.00 N ATOM 183 CA ARG A 13 -5.490 -10.829 1.957 1.00 0.00 C ATOM 184 C ARG A 13 -6.616 -11.841 1.849 1.00 0.00 C ATOM 185 O ARG A 13 -6.375 -13.000 1.551 1.00 0.00 O ATOM 186 CB ARG A 13 -5.340 -10.388 3.421 1.00 0.00 C ATOM 187 CG ARG A 13 -4.325 -9.281 3.661 1.00 0.00 C ATOM 188 CD ARG A 13 -4.184 -8.981 5.146 1.00 0.00 C ATOM 189 NE ARG A 13 -3.559 -10.097 5.864 1.00 0.00 N ATOM 190 CZ ARG A 13 -3.922 -10.584 7.052 1.00 0.00 C ATOM 191 NH1 ARG A 13 -4.957 -10.073 7.705 1.00 0.00 N ATOM 192 NH2 ARG A 13 -3.230 -11.589 7.584 1.00 0.00 N ATOM 0 H ARG A 13 -5.939 -8.824 1.573 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.544 -11.270 1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.312 -10.054 3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.057 -11.255 4.018 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.358 -9.575 3.253 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.634 -8.379 3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.586 -8.080 5.281 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.167 -8.778 5.572 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.765 -10.547 5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.484 -9.300 7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.226 -10.453 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.431 -11.979 7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.499 -11.969 8.492 1.00 0.00 H new ATOM 206 N LEU A 14 -7.851 -11.366 2.028 1.00 0.00 N ATOM 207 CA LEU A 14 -9.052 -12.212 1.976 1.00 0.00 C ATOM 208 C LEU A 14 -9.138 -13.002 0.672 1.00 0.00 C ATOM 209 O LEU A 14 -9.515 -14.167 0.677 1.00 0.00 O ATOM 210 CB LEU A 14 -10.323 -11.371 2.156 1.00 0.00 C ATOM 211 CG LEU A 14 -10.476 -10.635 3.492 1.00 0.00 C ATOM 212 CD1 LEU A 14 -11.736 -9.784 3.487 1.00 0.00 C ATOM 213 CD2 LEU A 14 -10.512 -11.620 4.652 1.00 0.00 C ATOM 0 H LEU A 14 -8.050 -10.383 2.214 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.973 -12.923 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.360 -10.633 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.185 -12.025 2.027 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.612 -9.983 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.830 -9.268 4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.677 -9.051 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.606 -10.423 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.621 -11.074 5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.356 -12.299 4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.585 -12.193 4.672 1.00 0.00 H new ATOM 225 N ARG A 15 -8.795 -12.366 -0.431 1.00 0.00 N ATOM 226 CA ARG A 15 -8.807 -13.020 -1.736 1.00 0.00 C ATOM 227 C ARG A 15 -7.805 -14.163 -1.777 1.00 0.00 C ATOM 228 O ARG A 15 -8.154 -15.308 -2.089 1.00 0.00 O ATOM 229 CB ARG A 15 -8.517 -12.020 -2.866 1.00 0.00 C ATOM 230 CG ARG A 15 -9.588 -10.959 -3.045 1.00 0.00 C ATOM 231 CD ARG A 15 -9.227 -9.978 -4.147 1.00 0.00 C ATOM 232 NE ARG A 15 -10.263 -8.948 -4.321 1.00 0.00 N ATOM 233 CZ ARG A 15 -10.165 -7.869 -5.107 1.00 0.00 C ATOM 234 NH1 ARG A 15 -9.074 -7.676 -5.836 1.00 0.00 N ATOM 235 NH2 ARG A 15 -11.168 -6.985 -5.158 1.00 0.00 N ATOM 0 H ARG A 15 -8.502 -11.389 -0.455 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.807 -13.426 -1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.564 -11.529 -2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.404 -12.568 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.539 -11.437 -3.280 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.726 -10.419 -2.108 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.276 -9.501 -3.912 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.090 -10.518 -5.084 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.131 -9.066 -3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.309 -8.350 -5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.000 -6.854 -6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.007 -7.133 -4.598 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.093 -6.163 -5.757 1.00 0.00 H new ATOM 249 N CYS A 16 -6.585 -13.874 -1.402 1.00 0.00 N ATOM 250 CA CYS A 16 -5.537 -14.862 -1.456 1.00 0.00 C ATOM 251 C CYS A 16 -5.620 -15.929 -0.372 1.00 0.00 C ATOM 252 O CYS A 16 -5.173 -17.030 -0.593 1.00 0.00 O ATOM 253 CB CYS A 16 -4.163 -14.224 -1.532 1.00 0.00 C ATOM 254 SG CYS A 16 -3.784 -13.516 -3.173 1.00 0.00 S ATOM 0 H CYS A 16 -6.292 -12.961 -1.055 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.703 -15.403 -2.388 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.093 -13.438 -0.780 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.409 -14.971 -1.283 1.00 0.00 H new ATOM 259 N GLN A 17 -6.208 -15.623 0.776 1.00 0.00 N ATOM 260 CA GLN A 17 -6.347 -16.628 1.835 1.00 0.00 C ATOM 261 C GLN A 17 -7.384 -17.684 1.450 1.00 0.00 C ATOM 262 O GLN A 17 -7.324 -18.821 1.909 1.00 0.00 O ATOM 263 CB GLN A 17 -6.703 -15.996 3.190 1.00 0.00 C ATOM 264 CG GLN A 17 -5.640 -15.056 3.746 1.00 0.00 C ATOM 265 CD GLN A 17 -6.034 -14.453 5.080 1.00 0.00 C ATOM 266 OE1 GLN A 17 -6.680 -13.403 5.139 1.00 0.00 O ATOM 267 NE2 GLN A 17 -5.662 -15.098 6.157 1.00 0.00 N ATOM 0 H GLN A 17 -6.592 -14.705 1.001 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.376 -17.112 1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.638 -15.446 3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.880 -16.792 3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.703 -15.601 3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.458 -14.255 3.029 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.129 -15.964 6.074 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.906 -14.735 7.079 1.00 0.00 H new ATOM 276 N VAL A 18 -8.322 -17.306 0.606 1.00 0.00 N ATOM 277 CA VAL A 18 -9.348 -18.231 0.161 1.00 0.00 C ATOM 278 C VAL A 18 -8.892 -18.985 -1.089 1.00 0.00 C ATOM 279 O VAL A 18 -8.976 -20.215 -1.146 1.00 0.00 O ATOM 280 CB VAL A 18 -10.693 -17.500 -0.126 1.00 0.00 C ATOM 281 CG1 VAL A 18 -11.753 -18.463 -0.645 1.00 0.00 C ATOM 282 CG2 VAL A 18 -11.194 -16.813 1.128 1.00 0.00 C ATOM 0 H VAL A 18 -8.397 -16.367 0.214 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.512 -18.944 0.969 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.505 -16.754 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.678 -17.918 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.406 -18.922 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.935 -19.239 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.135 -16.306 0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.352 -17.555 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.456 -16.083 1.463 1.00 0.00 H new ATOM 292 N ALA A 19 -8.378 -18.251 -2.065 1.00 0.00 N ATOM 293 CA ALA A 19 -7.954 -18.849 -3.323 1.00 0.00 C ATOM 294 C ALA A 19 -6.723 -19.710 -3.133 1.00 0.00 C ATOM 295 O ALA A 19 -6.692 -20.880 -3.532 1.00 0.00 O ATOM 296 CB ALA A 19 -7.684 -17.775 -4.352 1.00 0.00 C ATOM 0 H ALA A 19 -8.244 -17.241 -2.010 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.763 -19.487 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.368 -18.238 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.593 -17.197 -4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.896 -17.114 -3.990 1.00 0.00 H new ATOM 302 N GLU A 20 -5.737 -19.157 -2.500 1.00 0.00 N ATOM 303 CA GLU A 20 -4.510 -19.850 -2.273 1.00 0.00 C ATOM 304 C GLU A 20 -4.557 -20.443 -0.896 1.00 0.00 C ATOM 305 O GLU A 20 -5.013 -19.804 0.040 1.00 0.00 O ATOM 306 CB GLU A 20 -3.322 -18.898 -2.401 1.00 0.00 C ATOM 307 CG GLU A 20 -3.216 -18.221 -3.758 1.00 0.00 C ATOM 308 CD GLU A 20 -3.095 -19.208 -4.893 1.00 0.00 C ATOM 309 OE1 GLU A 20 -2.023 -19.816 -5.047 1.00 0.00 O ATOM 310 OE2 GLU A 20 -4.064 -19.374 -5.680 1.00 0.00 O ATOM 0 H GLU A 20 -5.761 -18.209 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.385 -20.636 -3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.398 -18.132 -1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.403 -19.452 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.095 -17.596 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.350 -17.560 -3.763 1.00 0.00 H new ATOM 317 N ARG A 21 -4.144 -21.663 -0.772 1.00 0.00 N ATOM 318 CA ARG A 21 -4.154 -22.311 0.514 1.00 0.00 C ATOM 319 C ARG A 21 -2.759 -22.562 1.001 1.00 0.00 C ATOM 320 O ARG A 21 -2.548 -23.120 2.075 1.00 0.00 O ATOM 321 CB ARG A 21 -4.996 -23.581 0.503 1.00 0.00 C ATOM 322 CG ARG A 21 -6.476 -23.331 0.225 1.00 0.00 C ATOM 323 CD ARG A 21 -7.089 -22.388 1.254 1.00 0.00 C ATOM 324 NE ARG A 21 -6.951 -22.904 2.621 1.00 0.00 N ATOM 325 CZ ARG A 21 -7.137 -22.198 3.739 1.00 0.00 C ATOM 326 NH1 ARG A 21 -7.405 -20.898 3.681 1.00 0.00 N ATOM 327 NH2 ARG A 21 -7.026 -22.798 4.920 1.00 0.00 N ATOM 0 H ARG A 21 -3.795 -22.236 -1.540 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.629 -21.632 1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.603 -24.261 -0.253 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.895 -24.082 1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.593 -22.907 -0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.014 -24.279 0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.608 -21.412 1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.145 -22.240 1.027 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.691 -23.885 2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.470 -20.431 2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.546 -20.367 4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.800 -23.791 4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.167 -22.265 5.778 1.00 0.00 H new ATOM 341 N GLY A 22 -1.820 -22.129 0.227 1.00 0.00 N ATOM 342 CA GLY A 22 -0.458 -22.220 0.615 1.00 0.00 C ATOM 343 C GLY A 22 0.003 -20.869 1.062 1.00 0.00 C ATOM 344 O GLY A 22 -0.308 -19.857 0.413 1.00 0.00 O ATOM 0 H GLY A 22 -1.977 -21.705 -0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.342 -22.945 1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.150 -22.570 -0.219 1.00 0.00 H new ATOM 348 N VAL A 23 0.755 -20.830 2.130 1.00 0.00 N ATOM 349 CA VAL A 23 1.154 -19.573 2.730 1.00 0.00 C ATOM 350 C VAL A 23 2.157 -18.832 1.853 1.00 0.00 C ATOM 351 O VAL A 23 2.184 -17.619 1.855 1.00 0.00 O ATOM 352 CB VAL A 23 1.721 -19.760 4.167 1.00 0.00 C ATOM 353 CG1 VAL A 23 2.005 -18.412 4.823 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.756 -20.567 5.027 1.00 0.00 C ATOM 0 H VAL A 23 1.109 -21.658 2.609 1.00 0.00 H new ATOM 0 HA VAL A 23 0.252 -18.967 2.810 1.00 0.00 H new ATOM 0 HB VAL A 23 2.660 -20.308 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.400 -18.572 5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.736 -17.865 4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.082 -17.836 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.172 -20.686 6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.199 -20.045 5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.603 -21.549 4.579 1.00 0.00 H new ATOM 364 N GLU A 24 2.939 -19.575 1.079 1.00 0.00 N ATOM 365 CA GLU A 24 3.945 -19.016 0.189 1.00 0.00 C ATOM 366 C GLU A 24 3.295 -17.966 -0.739 1.00 0.00 C ATOM 367 O GLU A 24 3.713 -16.798 -0.780 1.00 0.00 O ATOM 368 CB GLU A 24 4.564 -20.174 -0.623 1.00 0.00 C ATOM 369 CG GLU A 24 5.920 -19.904 -1.258 1.00 0.00 C ATOM 370 CD GLU A 24 5.920 -18.798 -2.282 1.00 0.00 C ATOM 371 OE1 GLU A 24 5.414 -18.999 -3.399 1.00 0.00 O ATOM 372 OE2 GLU A 24 6.431 -17.709 -1.990 1.00 0.00 O ATOM 0 H GLU A 24 2.891 -20.594 1.053 1.00 0.00 H new ATOM 0 HA GLU A 24 4.729 -18.515 0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.660 -21.039 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.865 -20.449 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.632 -19.654 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.275 -20.820 -1.731 1.00 0.00 H new ATOM 379 N GLN A 25 2.243 -18.368 -1.423 1.00 0.00 N ATOM 380 CA GLN A 25 1.558 -17.479 -2.342 1.00 0.00 C ATOM 381 C GLN A 25 0.777 -16.402 -1.621 1.00 0.00 C ATOM 382 O GLN A 25 0.763 -15.256 -2.060 1.00 0.00 O ATOM 383 CB GLN A 25 0.675 -18.247 -3.301 1.00 0.00 C ATOM 384 CG GLN A 25 1.450 -19.068 -4.317 1.00 0.00 C ATOM 385 CD GLN A 25 2.245 -18.200 -5.271 1.00 0.00 C ATOM 386 OE1 GLN A 25 1.738 -17.792 -6.311 1.00 0.00 O ATOM 387 NE2 GLN A 25 3.487 -17.935 -4.961 1.00 0.00 N ATOM 0 H GLN A 25 1.843 -19.304 -1.361 1.00 0.00 H new ATOM 0 HA GLN A 25 2.329 -16.977 -2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.024 -18.910 -2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.030 -17.545 -3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.127 -19.744 -3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.756 -19.688 -4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.881 -18.288 -4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.062 -17.375 -5.591 1.00 0.00 H new ATOM 396 N GLN A 26 0.160 -16.754 -0.496 1.00 0.00 N ATOM 397 CA GLN A 26 -0.592 -15.772 0.301 1.00 0.00 C ATOM 398 C GLN A 26 0.360 -14.682 0.790 1.00 0.00 C ATOM 399 O GLN A 26 0.022 -13.500 0.791 1.00 0.00 O ATOM 400 CB GLN A 26 -1.259 -16.436 1.512 1.00 0.00 C ATOM 401 CG GLN A 26 -2.211 -17.578 1.184 1.00 0.00 C ATOM 402 CD GLN A 26 -2.750 -18.248 2.438 1.00 0.00 C ATOM 403 OE1 GLN A 26 -2.094 -18.262 3.480 1.00 0.00 O ATOM 404 NE2 GLN A 26 -3.904 -18.848 2.345 1.00 0.00 N ATOM 0 H GLN A 26 0.162 -17.700 -0.114 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.369 -15.342 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.480 -16.813 2.174 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.808 -15.675 2.067 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.042 -17.198 0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.694 -18.317 0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.425 -18.819 1.468 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.286 -19.346 3.149 1.00 0.00 H new ATOM 413 N ARG A 27 1.562 -15.097 1.162 1.00 0.00 N ATOM 414 CA ARG A 27 2.587 -14.202 1.648 1.00 0.00 C ATOM 415 C ARG A 27 3.004 -13.251 0.533 1.00 0.00 C ATOM 416 O ARG A 27 3.135 -12.057 0.762 1.00 0.00 O ATOM 417 CB ARG A 27 3.798 -14.993 2.155 1.00 0.00 C ATOM 418 CG ARG A 27 4.786 -14.171 2.959 1.00 0.00 C ATOM 419 CD ARG A 27 4.200 -13.761 4.297 1.00 0.00 C ATOM 420 NE ARG A 27 3.985 -14.913 5.176 1.00 0.00 N ATOM 421 CZ ARG A 27 3.261 -14.913 6.295 1.00 0.00 C ATOM 422 NH1 ARG A 27 2.651 -13.806 6.709 1.00 0.00 N ATOM 423 NH2 ARG A 27 3.161 -16.028 7.007 1.00 0.00 N ATOM 0 H ARG A 27 1.850 -16.075 1.132 1.00 0.00 H new ATOM 0 HA ARG A 27 2.187 -13.624 2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.445 -15.820 2.771 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.316 -15.429 1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.697 -14.748 3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.067 -13.282 2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.870 -13.052 4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.253 -13.246 4.136 1.00 0.00 H new ATOM 0 HE ARG A 27 4.428 -15.792 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.735 -12.945 6.168 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.100 -13.818 7.567 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.636 -16.876 6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.609 -16.038 7.865 1.00 0.00 H new ATOM 437 N LYS A 28 3.199 -13.788 -0.675 1.00 0.00 N ATOM 438 CA LYS A 28 3.514 -12.955 -1.836 1.00 0.00 C ATOM 439 C LYS A 28 2.381 -11.989 -2.158 1.00 0.00 C ATOM 440 O LYS A 28 2.631 -10.835 -2.489 1.00 0.00 O ATOM 441 CB LYS A 28 3.921 -13.779 -3.063 1.00 0.00 C ATOM 442 CG LYS A 28 5.371 -14.247 -3.037 1.00 0.00 C ATOM 443 CD LYS A 28 5.714 -15.071 -4.268 1.00 0.00 C ATOM 444 CE LYS A 28 7.222 -15.290 -4.413 1.00 0.00 C ATOM 445 NZ LYS A 28 7.839 -15.903 -3.223 1.00 0.00 N ATOM 0 H LYS A 28 3.145 -14.787 -0.872 1.00 0.00 H new ATOM 0 HA LYS A 28 4.386 -12.361 -1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.269 -14.650 -3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.758 -13.182 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.032 -13.382 -2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.546 -14.841 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.212 -16.037 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.334 -14.568 -5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.408 -15.926 -5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.704 -14.333 -4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.837 -16.118 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.779 -15.242 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.336 -16.782 -2.985 1.00 0.00 H new ATOM 459 N CYS A 29 1.148 -12.458 -2.039 1.00 0.00 N ATOM 460 CA CYS A 29 -0.027 -11.605 -2.202 1.00 0.00 C ATOM 461 C CYS A 29 0.031 -10.416 -1.246 1.00 0.00 C ATOM 462 O CYS A 29 -0.083 -9.254 -1.670 1.00 0.00 O ATOM 463 CB CYS A 29 -1.307 -12.397 -1.950 1.00 0.00 C ATOM 464 SG CYS A 29 -1.764 -13.584 -3.248 1.00 0.00 S ATOM 0 H CYS A 29 0.931 -13.432 -1.828 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.031 -11.237 -3.228 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.199 -12.938 -1.010 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.129 -11.693 -1.821 1.00 0.00 H new ATOM 469 N GLU A 30 0.249 -10.707 0.039 1.00 0.00 N ATOM 470 CA GLU A 30 0.343 -9.669 1.045 1.00 0.00 C ATOM 471 C GLU A 30 1.513 -8.760 0.753 1.00 0.00 C ATOM 472 O GLU A 30 1.389 -7.566 0.862 1.00 0.00 O ATOM 473 CB GLU A 30 0.486 -10.247 2.445 1.00 0.00 C ATOM 474 CG GLU A 30 -0.660 -11.132 2.880 1.00 0.00 C ATOM 475 CD GLU A 30 -0.506 -11.570 4.304 1.00 0.00 C ATOM 476 OE1 GLU A 30 -1.220 -11.059 5.168 1.00 0.00 O ATOM 477 OE2 GLU A 30 0.372 -12.406 4.595 1.00 0.00 O ATOM 0 H GLU A 30 0.362 -11.655 0.398 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.585 -9.098 1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.411 -10.822 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.583 -9.426 3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.601 -10.594 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.711 -12.007 2.233 1.00 0.00 H new ATOM 484 N GLN A 31 2.626 -9.355 0.347 1.00 0.00 N ATOM 485 CA GLN A 31 3.854 -8.642 0.008 1.00 0.00 C ATOM 486 C GLN A 31 3.593 -7.568 -1.053 1.00 0.00 C ATOM 487 O GLN A 31 3.831 -6.388 -0.808 1.00 0.00 O ATOM 488 CB GLN A 31 4.902 -9.642 -0.495 1.00 0.00 C ATOM 489 CG GLN A 31 6.231 -9.035 -0.884 1.00 0.00 C ATOM 490 CD GLN A 31 7.190 -10.065 -1.434 1.00 0.00 C ATOM 491 OE1 GLN A 31 7.217 -10.330 -2.630 1.00 0.00 O ATOM 492 NE2 GLN A 31 7.985 -10.651 -0.581 1.00 0.00 N ATOM 0 H GLN A 31 2.704 -10.366 0.241 1.00 0.00 H new ATOM 0 HA GLN A 31 4.226 -8.143 0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.074 -10.387 0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.494 -10.169 -1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.069 -8.257 -1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.677 -8.554 -0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.939 -10.409 0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.653 -11.351 -0.904 1.00 0.00 H new ATOM 501 N VAL A 32 3.059 -7.986 -2.202 1.00 0.00 N ATOM 502 CA VAL A 32 2.782 -7.076 -3.322 1.00 0.00 C ATOM 503 C VAL A 32 1.826 -5.963 -2.890 1.00 0.00 C ATOM 504 O VAL A 32 2.082 -4.771 -3.120 1.00 0.00 O ATOM 505 CB VAL A 32 2.188 -7.834 -4.552 1.00 0.00 C ATOM 506 CG1 VAL A 32 1.881 -6.878 -5.703 1.00 0.00 C ATOM 507 CG2 VAL A 32 3.143 -8.921 -5.022 1.00 0.00 C ATOM 0 H VAL A 32 2.807 -8.957 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 32 3.734 -6.637 -3.622 1.00 0.00 H new ATOM 0 HB VAL A 32 1.253 -8.294 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.469 -7.439 -6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.156 -6.133 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.798 -6.379 -6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.712 -9.438 -5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.093 -8.471 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.309 -9.634 -4.214 1.00 0.00 H new ATOM 517 N CYS A 33 0.754 -6.346 -2.228 1.00 0.00 N ATOM 518 CA CYS A 33 -0.219 -5.386 -1.761 1.00 0.00 C ATOM 519 C CYS A 33 0.362 -4.449 -0.690 1.00 0.00 C ATOM 520 O CYS A 33 0.127 -3.246 -0.732 1.00 0.00 O ATOM 521 CB CYS A 33 -1.507 -6.085 -1.291 1.00 0.00 C ATOM 522 SG CYS A 33 -2.405 -6.939 -2.645 1.00 0.00 S ATOM 0 H CYS A 33 0.536 -7.317 -2.002 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.486 -4.752 -2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.257 -6.810 -0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.167 -5.347 -0.835 1.00 0.00 H new ATOM 527 N GLU A 34 1.183 -4.978 0.208 1.00 0.00 N ATOM 528 CA GLU A 34 1.759 -4.185 1.283 1.00 0.00 C ATOM 529 C GLU A 34 2.764 -3.181 0.725 1.00 0.00 C ATOM 530 O GLU A 34 2.945 -2.106 1.284 1.00 0.00 O ATOM 531 CB GLU A 34 2.403 -5.078 2.351 1.00 0.00 C ATOM 532 CG GLU A 34 2.696 -4.360 3.652 1.00 0.00 C ATOM 533 CD GLU A 34 3.080 -5.297 4.757 1.00 0.00 C ATOM 534 OE1 GLU A 34 2.179 -5.921 5.354 1.00 0.00 O ATOM 535 OE2 GLU A 34 4.297 -5.420 5.070 1.00 0.00 O ATOM 0 H GLU A 34 1.465 -5.958 0.212 1.00 0.00 H new ATOM 0 HA GLU A 34 0.954 -3.631 1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.742 -5.921 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.332 -5.489 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.502 -3.643 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.817 -3.790 3.954 1.00 0.00 H new ATOM 542 N GLU A 35 3.390 -3.526 -0.386 1.00 0.00 N ATOM 543 CA GLU A 35 4.290 -2.612 -1.078 1.00 0.00 C ATOM 544 C GLU A 35 3.524 -1.415 -1.634 1.00 0.00 C ATOM 545 O GLU A 35 3.999 -0.274 -1.571 1.00 0.00 O ATOM 546 CB GLU A 35 5.028 -3.322 -2.198 1.00 0.00 C ATOM 547 CG GLU A 35 6.061 -4.317 -1.726 1.00 0.00 C ATOM 548 CD GLU A 35 7.176 -3.659 -0.960 1.00 0.00 C ATOM 549 OE1 GLU A 35 8.050 -3.030 -1.589 1.00 0.00 O ATOM 550 OE2 GLU A 35 7.226 -3.785 0.268 1.00 0.00 O ATOM 0 H GLU A 35 3.293 -4.438 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 35 5.021 -2.253 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.302 -3.839 -2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.518 -2.577 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.581 -5.065 -1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.475 -4.844 -2.586 1.00 0.00 H new ATOM 557 N ARG A 36 2.324 -1.675 -2.134 1.00 0.00 N ATOM 558 CA ARG A 36 1.473 -0.620 -2.684 1.00 0.00 C ATOM 559 C ARG A 36 0.990 0.273 -1.526 1.00 0.00 C ATOM 560 O ARG A 36 0.813 1.488 -1.666 1.00 0.00 O ATOM 561 CB ARG A 36 0.249 -1.228 -3.379 1.00 0.00 C ATOM 562 CG ARG A 36 -0.413 -0.300 -4.388 1.00 0.00 C ATOM 563 CD ARG A 36 -1.857 -0.691 -4.660 1.00 0.00 C ATOM 564 NE ARG A 36 -2.707 -0.314 -3.525 1.00 0.00 N ATOM 565 CZ ARG A 36 -4.041 -0.243 -3.522 1.00 0.00 C ATOM 566 NH1 ARG A 36 -4.762 -0.771 -4.499 1.00 0.00 N ATOM 567 NH2 ARG A 36 -4.649 0.326 -2.496 1.00 0.00 N ATOM 0 H ARG A 36 1.914 -2.608 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 36 2.044 -0.041 -3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.550 -2.145 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.484 -1.508 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.379 0.724 -4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.150 -0.319 -5.321 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.210 -0.200 -5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.924 -1.765 -4.833 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.232 -0.083 -2.652 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.300 -1.244 -5.275 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.780 -0.704 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.100 0.702 -1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.667 0.389 -2.477 1.00 0.00 H new ATOM 581 N LEU A 37 0.763 -0.358 -0.388 1.00 0.00 N ATOM 582 CA LEU A 37 0.356 0.324 0.829 1.00 0.00 C ATOM 583 C LEU A 37 1.502 1.134 1.417 1.00 0.00 C ATOM 584 O LEU A 37 1.296 2.214 1.963 1.00 0.00 O ATOM 585 CB LEU A 37 -0.185 -0.686 1.850 1.00 0.00 C ATOM 586 CG LEU A 37 -1.683 -1.045 1.757 1.00 0.00 C ATOM 587 CD1 LEU A 37 -2.517 0.128 2.172 1.00 0.00 C ATOM 588 CD2 LEU A 37 -2.097 -1.493 0.361 1.00 0.00 C ATOM 0 H LEU A 37 0.857 -1.368 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.443 1.022 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.390 -1.607 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.008 -0.294 2.849 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.849 -1.885 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.573 -0.134 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.277 0.400 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.309 0.973 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.160 -1.732 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.902 -0.691 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.525 -2.377 0.078 1.00 0.00 H new ATOM 600 N ARG A 38 2.707 0.613 1.265 1.00 0.00 N ATOM 601 CA ARG A 38 3.938 1.239 1.742 1.00 0.00 C ATOM 602 C ARG A 38 4.065 2.647 1.184 1.00 0.00 C ATOM 603 O ARG A 38 4.375 3.588 1.918 1.00 0.00 O ATOM 604 CB ARG A 38 5.137 0.395 1.295 1.00 0.00 C ATOM 605 CG ARG A 38 6.508 0.883 1.742 1.00 0.00 C ATOM 606 CD ARG A 38 6.798 0.625 3.220 1.00 0.00 C ATOM 607 NE ARG A 38 5.921 1.347 4.151 1.00 0.00 N ATOM 608 CZ ARG A 38 6.310 2.371 4.922 1.00 0.00 C ATOM 609 NH1 ARG A 38 7.522 2.901 4.771 1.00 0.00 N ATOM 610 NH2 ARG A 38 5.482 2.867 5.832 1.00 0.00 N ATOM 0 H ARG A 38 2.865 -0.279 0.796 1.00 0.00 H new ATOM 0 HA ARG A 38 3.912 1.297 2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.998 -0.621 1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.131 0.341 0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.273 0.393 1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.585 1.953 1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.709 -0.444 3.413 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.832 0.901 3.427 1.00 0.00 H new ATOM 0 HE ARG A 38 4.948 1.048 4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.158 2.527 4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.815 3.681 5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.550 2.469 5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.778 3.647 6.419 1.00 0.00 H new ATOM 624 N GLU A 39 3.757 2.776 -0.105 1.00 0.00 N ATOM 625 CA GLU A 39 3.822 4.045 -0.826 1.00 0.00 C ATOM 626 C GLU A 39 2.907 5.094 -0.180 1.00 0.00 C ATOM 627 O GLU A 39 3.233 6.267 -0.129 1.00 0.00 O ATOM 628 CB GLU A 39 3.424 3.832 -2.297 1.00 0.00 C ATOM 629 CG GLU A 39 4.289 2.812 -3.029 1.00 0.00 C ATOM 630 CD GLU A 39 3.860 2.577 -4.463 1.00 0.00 C ATOM 631 OE1 GLU A 39 2.994 1.716 -4.708 1.00 0.00 O ATOM 632 OE2 GLU A 39 4.407 3.229 -5.385 1.00 0.00 O ATOM 0 H GLU A 39 3.452 1.994 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 39 4.847 4.414 -0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.384 3.509 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.482 4.786 -2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.325 3.151 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.258 1.866 -2.489 1.00 0.00 H new ATOM 639 N ARG A 40 1.795 4.642 0.360 1.00 0.00 N ATOM 640 CA ARG A 40 0.818 5.538 0.951 1.00 0.00 C ATOM 641 C ARG A 40 1.083 5.783 2.430 1.00 0.00 C ATOM 642 O ARG A 40 0.701 6.814 2.972 1.00 0.00 O ATOM 643 CB ARG A 40 -0.600 5.016 0.728 1.00 0.00 C ATOM 644 CG ARG A 40 -1.003 4.941 -0.732 1.00 0.00 C ATOM 645 CD ARG A 40 -0.941 6.310 -1.384 1.00 0.00 C ATOM 646 NE ARG A 40 -1.345 6.271 -2.782 1.00 0.00 N ATOM 647 CZ ARG A 40 -1.551 7.347 -3.543 1.00 0.00 C ATOM 648 NH1 ARG A 40 -1.416 8.570 -3.041 1.00 0.00 N ATOM 649 NH2 ARG A 40 -1.896 7.195 -4.802 1.00 0.00 N ATOM 0 H ARG A 40 1.542 3.655 0.403 1.00 0.00 H new ATOM 0 HA ARG A 40 0.916 6.500 0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.685 4.023 1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.302 5.661 1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.343 4.252 -1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.013 4.541 -0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.587 6.999 -0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.074 6.700 -1.312 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.480 5.355 -3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.152 8.694 -2.064 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.576 9.385 -3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.005 6.259 -5.192 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.055 8.013 -5.390 1.00 0.00 H new ATOM 663 N GLU A 41 1.734 4.849 3.078 1.00 0.00 N ATOM 664 CA GLU A 41 2.069 5.007 4.480 1.00 0.00 C ATOM 665 C GLU A 41 3.279 5.907 4.669 1.00 0.00 C ATOM 666 O GLU A 41 3.306 6.728 5.580 1.00 0.00 O ATOM 667 CB GLU A 41 2.275 3.666 5.150 1.00 0.00 C ATOM 668 CG GLU A 41 1.004 2.857 5.298 1.00 0.00 C ATOM 669 CD GLU A 41 -0.002 3.509 6.221 1.00 0.00 C ATOM 670 OE1 GLU A 41 -0.946 4.157 5.735 1.00 0.00 O ATOM 671 OE2 GLU A 41 0.126 3.364 7.451 1.00 0.00 O ATOM 0 H GLU A 41 2.044 3.971 2.662 1.00 0.00 H new ATOM 0 HA GLU A 41 1.222 5.494 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.997 3.089 4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.710 3.826 6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.552 2.717 4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.252 1.866 5.680 1.00 0.00 H new ATOM 678 N GLN A 42 4.272 5.780 3.804 1.00 0.00 N ATOM 679 CA GLN A 42 5.439 6.656 3.905 1.00 0.00 C ATOM 680 C GLN A 42 5.199 7.922 3.108 1.00 0.00 C ATOM 681 O GLN A 42 5.944 8.908 3.222 1.00 0.00 O ATOM 682 CB GLN A 42 6.730 5.977 3.428 1.00 0.00 C ATOM 683 CG GLN A 42 6.761 5.630 1.946 1.00 0.00 C ATOM 684 CD GLN A 42 8.103 5.093 1.506 1.00 0.00 C ATOM 685 OE1 GLN A 42 8.824 4.467 2.280 1.00 0.00 O ATOM 686 NE2 GLN A 42 8.445 5.332 0.272 1.00 0.00 N ATOM 0 H GLN A 42 4.301 5.101 3.043 1.00 0.00 H new ATOM 0 HA GLN A 42 5.573 6.896 4.960 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.572 6.633 3.651 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.877 5.063 4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.990 4.890 1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.520 6.519 1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.818 5.856 -0.339 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.340 4.996 -0.084 1.00 0.00 H new ATOM 695 N GLY A 43 4.165 7.887 2.309 1.00 0.00 N ATOM 696 CA GLY A 43 3.830 8.985 1.476 1.00 0.00 C ATOM 697 C GLY A 43 2.812 9.873 2.116 1.00 0.00 C ATOM 698 O GLY A 43 1.727 9.437 2.478 1.00 0.00 O ATOM 0 H GLY A 43 3.536 7.088 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.728 9.561 1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.445 8.617 0.525 1.00 0.00 H new ATOM 702 N ARG A 44 3.158 11.107 2.271 1.00 0.00 N ATOM 703 CA ARG A 44 2.274 12.100 2.853 1.00 0.00 C ATOM 704 C ARG A 44 1.639 12.918 1.745 1.00 0.00 C ATOM 705 O ARG A 44 1.093 13.999 1.973 1.00 0.00 O ATOM 706 CB ARG A 44 3.069 12.995 3.809 1.00 0.00 C ATOM 707 CG ARG A 44 3.610 12.238 5.004 1.00 0.00 C ATOM 708 CD ARG A 44 4.461 13.106 5.910 1.00 0.00 C ATOM 709 NE ARG A 44 4.939 12.338 7.068 1.00 0.00 N ATOM 710 CZ ARG A 44 6.103 12.527 7.708 1.00 0.00 C ATOM 711 NH1 ARG A 44 6.923 13.507 7.342 1.00 0.00 N ATOM 712 NH2 ARG A 44 6.426 11.743 8.727 1.00 0.00 N ATOM 0 H ARG A 44 4.070 11.474 1.999 1.00 0.00 H new ATOM 0 HA ARG A 44 1.482 11.610 3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.898 13.452 3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.430 13.806 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.778 11.829 5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.203 11.393 4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.311 13.498 5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.880 13.963 6.251 1.00 0.00 H new ATOM 0 HE ARG A 44 4.332 11.596 7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.669 14.122 6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.806 13.644 7.834 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.791 11.001 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.310 11.882 9.217 1.00 0.00 H new ATOM 726 N GLY A 45 1.677 12.363 0.545 1.00 0.00 N ATOM 727 CA GLY A 45 1.196 13.046 -0.609 1.00 0.00 C ATOM 728 C GLY A 45 2.171 14.103 -0.988 1.00 0.00 C ATOM 729 O GLY A 45 3.279 13.807 -1.463 1.00 0.00 O ATOM 0 H GLY A 45 2.044 11.429 0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.062 12.345 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.221 13.489 -0.405 1.00 0.00 H new ATOM 733 N GLU A 46 1.809 15.302 -0.725 1.00 0.00 N ATOM 734 CA GLU A 46 2.644 16.413 -0.960 1.00 0.00 C ATOM 735 C GLU A 46 2.722 17.226 0.321 1.00 0.00 C ATOM 736 O GLU A 46 1.778 17.964 0.671 1.00 0.00 O ATOM 737 CB GLU A 46 2.089 17.232 -2.112 1.00 0.00 C ATOM 738 CG GLU A 46 2.877 18.469 -2.451 1.00 0.00 C ATOM 739 CD GLU A 46 2.246 19.223 -3.573 1.00 0.00 C ATOM 740 OE1 GLU A 46 2.688 19.078 -4.731 1.00 0.00 O ATOM 741 OE2 GLU A 46 1.269 19.962 -3.332 1.00 0.00 O ATOM 0 H GLU A 46 0.900 15.542 -0.330 1.00 0.00 H new ATOM 0 HA GLU A 46 3.649 16.096 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.038 16.598 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.067 17.525 -1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.947 19.111 -1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.895 18.191 -2.724 1.00 0.00 H new ATOM 748 N ASP A 47 3.796 17.038 1.053 1.00 0.00 N ATOM 749 CA ASP A 47 4.013 17.738 2.302 1.00 0.00 C ATOM 750 C ASP A 47 5.482 18.044 2.477 1.00 0.00 C ATOM 751 O ASP A 47 6.239 17.222 2.984 1.00 0.00 O ATOM 752 CB ASP A 47 3.485 16.941 3.510 1.00 0.00 C ATOM 753 CG ASP A 47 3.589 17.713 4.819 1.00 0.00 C ATOM 754 OD1 ASP A 47 4.553 17.524 5.579 1.00 0.00 O ATOM 755 OD2 ASP A 47 2.688 18.523 5.115 1.00 0.00 O ATOM 0 H ASP A 47 4.546 16.395 0.800 1.00 0.00 H new ATOM 0 HA ASP A 47 3.452 18.671 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.444 16.672 3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.045 16.010 3.597 1.00 0.00 H new ATOM 760 N VAL A 48 5.881 19.196 1.970 1.00 0.00 N ATOM 761 CA VAL A 48 7.248 19.711 2.068 1.00 0.00 C ATOM 762 C VAL A 48 8.252 18.816 1.313 1.00 0.00 C ATOM 763 O VAL A 48 8.770 17.828 1.846 1.00 0.00 O ATOM 764 CB VAL A 48 7.688 19.940 3.553 1.00 0.00 C ATOM 765 CG1 VAL A 48 9.088 20.517 3.638 1.00 0.00 C ATOM 766 CG2 VAL A 48 6.706 20.861 4.264 1.00 0.00 C ATOM 0 H VAL A 48 5.253 19.821 1.464 1.00 0.00 H new ATOM 0 HA VAL A 48 7.250 20.686 1.581 1.00 0.00 H new ATOM 0 HB VAL A 48 7.691 18.968 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.359 20.662 4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.794 19.829 3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.119 21.475 3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.027 21.009 5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.673 21.823 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.713 20.411 4.255 1.00 0.00 H new ATOM 776 N ASP A 49 8.473 19.140 0.068 1.00 0.00 N ATOM 777 CA ASP A 49 9.390 18.389 -0.769 1.00 0.00 C ATOM 778 C ASP A 49 10.733 19.056 -0.748 1.00 0.00 C ATOM 779 O ASP A 49 11.655 18.531 -0.114 1.00 0.00 O ATOM 780 CB ASP A 49 8.873 18.283 -2.205 1.00 0.00 C ATOM 781 CG ASP A 49 9.733 17.411 -3.083 1.00 0.00 C ATOM 782 OD1 ASP A 49 10.520 17.938 -3.897 1.00 0.00 O ATOM 783 OD2 ASP A 49 9.610 16.178 -3.009 1.00 0.00 O ATOM 784 OXT ASP A 49 10.860 20.176 -1.303 1.00 0.00 O ATOM 0 H ASP A 49 8.027 19.929 -0.401 1.00 0.00 H new ATOM 0 HA ASP A 49 9.474 17.376 -0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.859 17.885 -2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.817 19.281 -2.639 1.00 0.00 H new TER 789 ASP A 49