USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=3 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= 0.00896 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0.0739 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.0041) USER MOD Single : A 26 GLN : amide:sc= -0.723 X(o=-0.72,f=-1) USER MOD Single : A 30 GLN : amide:sc= -0.0502 X(o=-0.05,f=-0.43) USER MOD Single : A 31 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.43) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.078 13.948 3.236 1.00 0.00 N ATOM 2 CA PRO A 1 4.175 12.971 4.292 1.00 0.00 C ATOM 3 C PRO A 1 5.632 12.707 4.546 1.00 0.00 C ATOM 4 O PRO A 1 6.477 13.266 3.848 1.00 0.00 O ATOM 5 CB PRO A 1 3.487 11.698 3.839 1.00 0.00 C ATOM 6 CG PRO A 1 3.109 11.975 2.418 1.00 0.00 C ATOM 7 CD PRO A 1 3.101 13.481 2.256 1.00 0.00 C ATOM 0 H2 PRO A 1 4.987 14.082 2.793 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.795 14.852 3.615 1.00 0.00 H new ATOM 0 HA PRO A 1 3.700 13.329 5.205 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.151 10.837 3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.611 11.479 4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.820 11.516 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.129 11.556 2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.379 13.775 1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.112 13.898 2.448 1.00 0.00 H new ATOM 17 N ARG A 2 5.925 11.878 5.518 1.00 0.00 N ATOM 18 CA ARG A 2 7.286 11.533 5.853 1.00 0.00 C ATOM 19 C ARG A 2 7.873 10.645 4.761 1.00 0.00 C ATOM 20 O ARG A 2 7.340 9.557 4.466 1.00 0.00 O ATOM 21 CB ARG A 2 7.330 10.831 7.211 1.00 0.00 C ATOM 22 CG ARG A 2 8.713 10.399 7.651 1.00 0.00 C ATOM 23 CD ARG A 2 8.659 9.668 8.977 1.00 0.00 C ATOM 24 NE ARG A 2 9.976 9.170 9.374 1.00 0.00 N ATOM 25 CZ ARG A 2 10.194 8.234 10.302 1.00 0.00 C ATOM 26 NH1 ARG A 2 9.184 7.768 11.026 1.00 0.00 N ATOM 27 NH2 ARG A 2 11.428 7.803 10.534 1.00 0.00 N ATOM 0 H ARG A 2 5.224 11.422 6.102 1.00 0.00 H new ATOM 0 HA ARG A 2 7.885 12.441 5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.915 11.500 7.965 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.684 9.954 7.173 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.154 9.752 6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.359 11.272 7.739 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.276 10.338 9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.961 8.834 8.905 1.00 0.00 H new ATOM 0 HE ARG A 2 10.790 9.568 8.906 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.240 8.124 10.874 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.351 7.053 11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.210 8.187 10.004 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.594 7.088 11.243 1.00 0.00 H new ATOM 41 N GLY A 3 8.927 11.119 4.147 1.00 0.00 N ATOM 42 CA GLY A 3 9.569 10.396 3.088 1.00 0.00 C ATOM 43 C GLY A 3 8.893 10.658 1.774 1.00 0.00 C ATOM 44 O GLY A 3 9.380 11.444 0.959 1.00 0.00 O ATOM 0 H GLY A 3 9.361 12.015 4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.617 10.688 3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.547 9.328 3.306 1.00 0.00 H new ATOM 48 N SER A 4 7.754 10.038 1.596 1.00 0.00 N ATOM 49 CA SER A 4 6.963 10.141 0.399 1.00 0.00 C ATOM 50 C SER A 4 5.690 9.337 0.627 1.00 0.00 C ATOM 51 O SER A 4 5.629 8.581 1.591 1.00 0.00 O ATOM 52 CB SER A 4 7.755 9.548 -0.782 1.00 0.00 C ATOM 53 OG SER A 4 8.138 8.192 -0.519 1.00 0.00 O ATOM 0 H SER A 4 7.340 9.430 2.302 1.00 0.00 H new ATOM 0 HA SER A 4 6.722 11.180 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.149 9.589 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.644 10.151 -0.967 1.00 0.00 H new ATOM 0 HG SER A 4 8.638 7.839 -1.285 1.00 0.00 H new ATOM 59 N PRO A 5 4.637 9.495 -0.190 1.00 0.00 N ATOM 60 CA PRO A 5 3.454 8.624 -0.097 1.00 0.00 C ATOM 61 C PRO A 5 3.834 7.188 -0.471 1.00 0.00 C ATOM 62 O PRO A 5 3.348 6.212 0.111 1.00 0.00 O ATOM 63 CB PRO A 5 2.501 9.207 -1.154 1.00 0.00 C ATOM 64 CG PRO A 5 2.980 10.599 -1.362 1.00 0.00 C ATOM 65 CD PRO A 5 4.467 10.544 -1.211 1.00 0.00 C ATOM 0 HA PRO A 5 3.020 8.591 0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.537 8.633 -2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.467 9.191 -0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.700 10.965 -2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.538 11.278 -0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.962 10.285 -2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.879 11.499 -0.886 1.00 0.00 H new ATOM 73 N ARG A 6 4.762 7.097 -1.411 1.00 0.00 N ATOM 74 CA ARG A 6 5.256 5.831 -1.954 1.00 0.00 C ATOM 75 C ARG A 6 5.806 4.892 -0.872 1.00 0.00 C ATOM 76 O ARG A 6 5.520 3.695 -0.907 1.00 0.00 O ATOM 77 CB ARG A 6 6.336 6.086 -3.021 1.00 0.00 C ATOM 78 CG ARG A 6 6.939 4.824 -3.652 1.00 0.00 C ATOM 79 CD ARG A 6 5.908 4.015 -4.432 1.00 0.00 C ATOM 80 NE ARG A 6 6.498 2.809 -5.039 1.00 0.00 N ATOM 81 CZ ARG A 6 5.987 2.134 -6.078 1.00 0.00 C ATOM 82 NH1 ARG A 6 4.811 2.475 -6.602 1.00 0.00 N ATOM 83 NH2 ARG A 6 6.648 1.103 -6.572 1.00 0.00 N ATOM 0 H ARG A 6 5.205 7.915 -1.829 1.00 0.00 H new ATOM 0 HA ARG A 6 4.399 5.334 -2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.905 6.699 -3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 6 7.140 6.668 -2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.754 5.108 -4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.370 4.200 -2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.095 3.725 -3.766 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.473 4.639 -5.213 1.00 0.00 H new ATOM 0 HE ARG A 6 7.367 2.459 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.287 3.259 -6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.434 1.952 -7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.540 0.826 -6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.266 0.584 -7.363 1.00 0.00 H new ATOM 97 N THR A 7 6.563 5.435 0.089 1.00 0.00 N ATOM 98 CA THR A 7 7.209 4.608 1.114 1.00 0.00 C ATOM 99 C THR A 7 6.204 3.743 1.898 1.00 0.00 C ATOM 100 O THR A 7 6.498 2.584 2.210 1.00 0.00 O ATOM 101 CB THR A 7 8.124 5.436 2.087 1.00 0.00 C ATOM 102 OG1 THR A 7 8.823 4.565 2.981 1.00 0.00 O ATOM 103 CG2 THR A 7 7.332 6.431 2.913 1.00 0.00 C ATOM 0 H THR A 7 6.742 6.435 0.178 1.00 0.00 H new ATOM 0 HA THR A 7 7.863 3.931 0.564 1.00 0.00 H new ATOM 0 HB THR A 7 8.827 5.983 1.459 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.389 5.096 3.579 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.008 6.979 3.570 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.824 7.131 2.250 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.594 5.899 3.514 1.00 0.00 H new ATOM 111 N GLU A 8 5.014 4.284 2.154 1.00 0.00 N ATOM 112 CA GLU A 8 3.991 3.571 2.896 1.00 0.00 C ATOM 113 C GLU A 8 3.458 2.419 2.058 1.00 0.00 C ATOM 114 O GLU A 8 3.499 1.261 2.466 1.00 0.00 O ATOM 115 CB GLU A 8 2.835 4.513 3.240 1.00 0.00 C ATOM 116 CG GLU A 8 1.735 3.858 4.061 1.00 0.00 C ATOM 117 CD GLU A 8 0.519 4.728 4.207 1.00 0.00 C ATOM 118 OE1 GLU A 8 -0.468 4.525 3.470 1.00 0.00 O ATOM 119 OE2 GLU A 8 0.524 5.634 5.066 1.00 0.00 O ATOM 0 H GLU A 8 4.739 5.219 1.854 1.00 0.00 H new ATOM 0 HA GLU A 8 4.431 3.187 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.227 5.368 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.405 4.899 2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.448 2.917 3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.123 3.615 5.050 1.00 0.00 H new ATOM 126 N TYR A 9 3.024 2.756 0.864 1.00 0.00 N ATOM 127 CA TYR A 9 2.403 1.851 -0.046 1.00 0.00 C ATOM 128 C TYR A 9 3.333 0.716 -0.469 1.00 0.00 C ATOM 129 O TYR A 9 2.950 -0.459 -0.427 1.00 0.00 O ATOM 130 CB TYR A 9 1.929 2.672 -1.230 1.00 0.00 C ATOM 131 CG TYR A 9 1.632 1.907 -2.467 1.00 0.00 C ATOM 132 CD1 TYR A 9 2.553 1.892 -3.479 1.00 0.00 C ATOM 133 CD2 TYR A 9 0.458 1.213 -2.625 1.00 0.00 C ATOM 134 CE1 TYR A 9 2.327 1.204 -4.640 1.00 0.00 C ATOM 135 CE2 TYR A 9 0.209 0.512 -3.780 1.00 0.00 C ATOM 136 CZ TYR A 9 1.145 0.510 -4.790 1.00 0.00 C ATOM 137 OH TYR A 9 0.893 -0.189 -5.953 1.00 0.00 O ATOM 0 H TYR A 9 3.102 3.705 0.497 1.00 0.00 H new ATOM 0 HA TYR A 9 1.561 1.353 0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.030 3.214 -0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.690 3.417 -1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.479 2.435 -3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.277 1.218 -1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.065 1.205 -5.429 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.715 -0.034 -3.895 1.00 0.00 H new ATOM 0 HH TYR A 9 0.016 -0.621 -5.891 1.00 0.00 H new ATOM 147 N GLU A 10 4.533 1.071 -0.866 1.00 0.00 N ATOM 148 CA GLU A 10 5.517 0.116 -1.328 1.00 0.00 C ATOM 149 C GLU A 10 5.863 -0.888 -0.215 1.00 0.00 C ATOM 150 O GLU A 10 5.818 -2.111 -0.434 1.00 0.00 O ATOM 151 CB GLU A 10 6.749 0.871 -1.810 1.00 0.00 C ATOM 152 CG GLU A 10 7.776 0.032 -2.523 1.00 0.00 C ATOM 153 CD GLU A 10 8.904 0.871 -3.041 1.00 0.00 C ATOM 154 OE1 GLU A 10 8.767 1.471 -4.136 1.00 0.00 O ATOM 155 OE2 GLU A 10 9.943 0.974 -2.368 1.00 0.00 O ATOM 0 H GLU A 10 4.858 2.038 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 10 5.112 -0.460 -2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.428 1.670 -2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.224 1.346 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.166 -0.724 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.304 -0.497 -3.351 1.00 0.00 H new ATOM 162 N ALA A 11 6.129 -0.373 0.989 1.00 0.00 N ATOM 163 CA ALA A 11 6.461 -1.224 2.126 1.00 0.00 C ATOM 164 C ALA A 11 5.278 -2.094 2.502 1.00 0.00 C ATOM 165 O ALA A 11 5.443 -3.261 2.831 1.00 0.00 O ATOM 166 CB ALA A 11 6.902 -0.395 3.319 1.00 0.00 C ATOM 0 H ALA A 11 6.120 0.626 1.197 1.00 0.00 H new ATOM 0 HA ALA A 11 7.291 -1.867 1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.143 -1.056 4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.783 0.188 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.097 0.279 3.612 1.00 0.00 H new ATOM 172 N CYS A 12 4.089 -1.520 2.415 1.00 0.00 N ATOM 173 CA CYS A 12 2.842 -2.209 2.722 1.00 0.00 C ATOM 174 C CYS A 12 2.676 -3.464 1.846 1.00 0.00 C ATOM 175 O CYS A 12 2.268 -4.536 2.340 1.00 0.00 O ATOM 176 CB CYS A 12 1.661 -1.245 2.517 1.00 0.00 C ATOM 177 SG CYS A 12 0.023 -1.900 2.970 1.00 0.00 S ATOM 0 H CYS A 12 3.959 -0.551 2.126 1.00 0.00 H new ATOM 0 HA CYS A 12 2.865 -2.533 3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.846 -0.343 3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.636 -0.947 1.469 1.00 0.00 H new ATOM 182 N ARG A 13 3.040 -3.348 0.555 1.00 0.00 N ATOM 183 CA ARG A 13 2.923 -4.472 -0.368 1.00 0.00 C ATOM 184 C ARG A 13 3.857 -5.593 0.048 1.00 0.00 C ATOM 185 O ARG A 13 3.449 -6.754 0.127 1.00 0.00 O ATOM 186 CB ARG A 13 3.218 -4.078 -1.827 1.00 0.00 C ATOM 187 CG ARG A 13 2.330 -2.980 -2.385 1.00 0.00 C ATOM 188 CD ARG A 13 2.500 -2.827 -3.896 1.00 0.00 C ATOM 189 NE ARG A 13 3.897 -2.577 -4.320 1.00 0.00 N ATOM 190 CZ ARG A 13 4.257 -2.166 -5.556 1.00 0.00 C ATOM 191 NH1 ARG A 13 3.333 -1.837 -6.447 1.00 0.00 N ATOM 192 NH2 ARG A 13 5.541 -2.067 -5.881 1.00 0.00 N ATOM 0 H ARG A 13 3.412 -2.494 0.139 1.00 0.00 H new ATOM 0 HA ARG A 13 1.887 -4.808 -0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.257 -3.756 -1.898 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.115 -4.963 -2.455 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.288 -3.204 -2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.568 -2.036 -1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.138 -3.731 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.873 -2.005 -4.241 1.00 0.00 H new ATOM 0 HE ARG A 13 4.637 -2.725 -3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.345 -1.893 -6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.610 -1.527 -7.379 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.260 -2.302 -5.197 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.808 -1.756 -6.815 1.00 0.00 H new ATOM 206 N VAL A 14 5.095 -5.235 0.341 1.00 0.00 N ATOM 207 CA VAL A 14 6.108 -6.211 0.755 1.00 0.00 C ATOM 208 C VAL A 14 5.744 -6.818 2.119 1.00 0.00 C ATOM 209 O VAL A 14 5.890 -8.021 2.324 1.00 0.00 O ATOM 210 CB VAL A 14 7.524 -5.564 0.830 1.00 0.00 C ATOM 211 CG1 VAL A 14 8.586 -6.588 1.226 1.00 0.00 C ATOM 212 CG2 VAL A 14 7.887 -4.909 -0.494 1.00 0.00 C ATOM 0 H VAL A 14 5.431 -4.273 0.302 1.00 0.00 H new ATOM 0 HA VAL A 14 6.130 -7.000 0.003 1.00 0.00 H new ATOM 0 HB VAL A 14 7.494 -4.796 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.561 -6.103 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.344 -7.003 2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.612 -7.390 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.879 -4.464 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.885 -5.660 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.158 -4.133 -0.728 1.00 0.00 H new ATOM 222 N ARG A 15 5.230 -5.980 3.015 1.00 0.00 N ATOM 223 CA ARG A 15 4.848 -6.389 4.366 1.00 0.00 C ATOM 224 C ARG A 15 3.869 -7.557 4.319 1.00 0.00 C ATOM 225 O ARG A 15 4.133 -8.619 4.867 1.00 0.00 O ATOM 226 CB ARG A 15 4.211 -5.217 5.116 1.00 0.00 C ATOM 227 CG ARG A 15 3.903 -5.512 6.571 1.00 0.00 C ATOM 228 CD ARG A 15 3.203 -4.346 7.237 1.00 0.00 C ATOM 229 NE ARG A 15 3.086 -4.549 8.683 1.00 0.00 N ATOM 230 CZ ARG A 15 1.991 -4.321 9.421 1.00 0.00 C ATOM 231 NH1 ARG A 15 0.851 -3.918 8.850 1.00 0.00 N ATOM 232 NH2 ARG A 15 2.032 -4.502 10.739 1.00 0.00 N ATOM 0 H ARG A 15 5.065 -4.992 2.824 1.00 0.00 H new ATOM 0 HA ARG A 15 5.749 -6.705 4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.880 -4.358 5.064 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.288 -4.933 4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.276 -6.401 6.638 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.829 -5.734 7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.756 -3.427 7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.211 -4.220 6.804 1.00 0.00 H new ATOM 0 HE ARG A 15 3.912 -4.895 9.172 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.807 -3.780 7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.025 -3.748 9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.895 -4.813 11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.200 -4.329 11.304 1.00 0.00 H new ATOM 246 N CYS A 16 2.773 -7.381 3.609 1.00 0.00 N ATOM 247 CA CYS A 16 1.786 -8.439 3.497 1.00 0.00 C ATOM 248 C CYS A 16 2.247 -9.580 2.622 1.00 0.00 C ATOM 249 O CYS A 16 1.763 -10.695 2.757 1.00 0.00 O ATOM 250 CB CYS A 16 0.438 -7.927 3.045 1.00 0.00 C ATOM 251 SG CYS A 16 -0.570 -7.157 4.354 1.00 0.00 S ATOM 0 H CYS A 16 2.543 -6.525 3.105 1.00 0.00 H new ATOM 0 HA CYS A 16 1.668 -8.832 4.507 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.591 -7.199 2.249 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.124 -8.756 2.615 1.00 0.00 H new ATOM 256 N GLN A 17 3.198 -9.321 1.754 1.00 0.00 N ATOM 257 CA GLN A 17 3.733 -10.358 0.906 1.00 0.00 C ATOM 258 C GLN A 17 4.469 -11.384 1.775 1.00 0.00 C ATOM 259 O GLN A 17 4.350 -12.594 1.573 1.00 0.00 O ATOM 260 CB GLN A 17 4.660 -9.746 -0.149 1.00 0.00 C ATOM 261 CG GLN A 17 5.201 -10.734 -1.153 1.00 0.00 C ATOM 262 CD GLN A 17 6.048 -10.078 -2.209 1.00 0.00 C ATOM 263 OE1 GLN A 17 5.546 -9.651 -3.257 1.00 0.00 O ATOM 264 NE2 GLN A 17 7.324 -10.001 -1.965 1.00 0.00 N ATOM 0 H GLN A 17 3.616 -8.401 1.618 1.00 0.00 H new ATOM 0 HA GLN A 17 2.925 -10.866 0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.118 -8.965 -0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.497 -9.265 0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.793 -11.488 -0.633 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.370 -11.254 -1.630 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.699 -10.365 -1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.950 -9.577 -2.650 1.00 0.00 H new ATOM 273 N VAL A 18 5.171 -10.887 2.775 1.00 0.00 N ATOM 274 CA VAL A 18 5.912 -11.731 3.696 1.00 0.00 C ATOM 275 C VAL A 18 4.991 -12.249 4.818 1.00 0.00 C ATOM 276 O VAL A 18 5.114 -13.395 5.268 1.00 0.00 O ATOM 277 CB VAL A 18 7.111 -10.956 4.320 1.00 0.00 C ATOM 278 CG1 VAL A 18 7.944 -11.851 5.229 1.00 0.00 C ATOM 279 CG2 VAL A 18 7.983 -10.358 3.236 1.00 0.00 C ATOM 0 H VAL A 18 5.245 -9.889 2.973 1.00 0.00 H new ATOM 0 HA VAL A 18 6.298 -12.579 3.131 1.00 0.00 H new ATOM 0 HB VAL A 18 6.699 -10.150 4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.771 -11.277 5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.320 -12.229 6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.338 -12.689 4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.814 -9.821 3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.371 -11.154 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.393 -9.668 2.634 1.00 0.00 H new ATOM 289 N ALA A 19 4.077 -11.414 5.262 1.00 0.00 N ATOM 290 CA ALA A 19 3.178 -11.773 6.353 1.00 0.00 C ATOM 291 C ALA A 19 2.072 -12.740 5.929 1.00 0.00 C ATOM 292 O ALA A 19 1.954 -13.835 6.486 1.00 0.00 O ATOM 293 CB ALA A 19 2.588 -10.534 7.000 1.00 0.00 C ATOM 0 H ALA A 19 3.931 -10.477 4.887 1.00 0.00 H new ATOM 0 HA ALA A 19 3.786 -12.301 7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.921 -10.829 7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.391 -9.914 7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.027 -9.967 6.257 1.00 0.00 H new ATOM 299 N GLU A 20 1.293 -12.356 4.932 1.00 0.00 N ATOM 300 CA GLU A 20 0.146 -13.147 4.506 1.00 0.00 C ATOM 301 C GLU A 20 0.596 -14.369 3.725 1.00 0.00 C ATOM 302 O GLU A 20 0.120 -15.479 3.979 1.00 0.00 O ATOM 303 CB GLU A 20 -0.817 -12.311 3.654 1.00 0.00 C ATOM 304 CG GLU A 20 -1.314 -11.042 4.330 1.00 0.00 C ATOM 305 CD GLU A 20 -2.038 -11.299 5.628 1.00 0.00 C ATOM 306 OE1 GLU A 20 -3.219 -11.691 5.595 1.00 0.00 O ATOM 307 OE2 GLU A 20 -1.455 -11.081 6.705 1.00 0.00 O ATOM 0 H GLU A 20 1.433 -11.498 4.399 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.380 -13.474 5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.318 -12.041 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.676 -12.927 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.466 -10.384 4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.981 -10.514 3.649 1.00 0.00 H new ATOM 314 N HIS A 21 1.509 -14.150 2.767 1.00 0.00 N ATOM 315 CA HIS A 21 2.115 -15.209 1.913 1.00 0.00 C ATOM 316 C HIS A 21 1.114 -15.769 0.872 1.00 0.00 C ATOM 317 O HIS A 21 1.435 -15.861 -0.317 1.00 0.00 O ATOM 318 CB HIS A 21 2.757 -16.339 2.773 1.00 0.00 C ATOM 319 CG HIS A 21 3.508 -17.407 2.007 1.00 0.00 C ATOM 320 ND1 HIS A 21 4.886 -17.493 1.952 1.00 0.00 N ATOM 321 CD2 HIS A 21 3.047 -18.471 1.305 1.00 0.00 C ATOM 322 CE1 HIS A 21 5.207 -18.573 1.239 1.00 0.00 C ATOM 323 NE2 HIS A 21 4.124 -19.207 0.821 1.00 0.00 N ATOM 0 H HIS A 21 1.861 -13.217 2.552 1.00 0.00 H new ATOM 0 HA HIS A 21 2.918 -14.739 1.345 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.442 -15.881 3.486 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.969 -16.821 3.352 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.006 -18.710 1.146 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.219 -18.889 1.030 1.00 0.00 H new ATOM 0 HE2 HIS A 21 4.086 -20.058 0.260 1.00 0.00 H new ATOM 331 N GLY A 22 -0.071 -16.147 1.326 1.00 0.00 N ATOM 332 CA GLY A 22 -1.088 -16.651 0.436 1.00 0.00 C ATOM 333 C GLY A 22 -1.614 -15.551 -0.451 1.00 0.00 C ATOM 334 O GLY A 22 -1.950 -14.461 0.041 1.00 0.00 O ATOM 0 H GLY A 22 -0.346 -16.112 2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.677 -17.453 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.906 -17.080 1.016 1.00 0.00 H new ATOM 338 N VAL A 23 -1.713 -15.839 -1.739 1.00 0.00 N ATOM 339 CA VAL A 23 -2.078 -14.850 -2.753 1.00 0.00 C ATOM 340 C VAL A 23 -3.428 -14.187 -2.479 1.00 0.00 C ATOM 341 O VAL A 23 -3.559 -12.991 -2.640 1.00 0.00 O ATOM 342 CB VAL A 23 -2.040 -15.459 -4.185 1.00 0.00 C ATOM 343 CG1 VAL A 23 -2.444 -14.433 -5.232 1.00 0.00 C ATOM 344 CG2 VAL A 23 -0.650 -15.982 -4.489 1.00 0.00 C ATOM 0 H VAL A 23 -1.542 -16.771 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.324 -14.065 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.755 -16.281 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.407 -14.889 -6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.457 -14.086 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.757 -13.587 -5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.632 -16.406 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.068 -15.164 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.385 -16.752 -3.765 1.00 0.00 H new ATOM 354 N GLU A 24 -4.400 -14.955 -2.020 1.00 0.00 N ATOM 355 CA GLU A 24 -5.737 -14.418 -1.728 1.00 0.00 C ATOM 356 C GLU A 24 -5.687 -13.290 -0.696 1.00 0.00 C ATOM 357 O GLU A 24 -6.210 -12.187 -0.936 1.00 0.00 O ATOM 358 CB GLU A 24 -6.709 -15.525 -1.288 1.00 0.00 C ATOM 359 CG GLU A 24 -7.283 -16.379 -2.427 1.00 0.00 C ATOM 360 CD GLU A 24 -6.246 -17.008 -3.325 1.00 0.00 C ATOM 361 OE1 GLU A 24 -6.016 -16.491 -4.431 1.00 0.00 O ATOM 362 OE2 GLU A 24 -5.645 -18.045 -2.948 1.00 0.00 O ATOM 0 H GLU A 24 -4.299 -15.954 -1.838 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.115 -13.994 -2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.194 -16.182 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.536 -15.066 -0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.899 -17.169 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.941 -15.757 -3.034 1.00 0.00 H new ATOM 369 N ARG A 25 -5.022 -13.539 0.416 1.00 0.00 N ATOM 370 CA ARG A 25 -4.901 -12.543 1.465 1.00 0.00 C ATOM 371 C ARG A 25 -3.925 -11.438 1.091 1.00 0.00 C ATOM 372 O ARG A 25 -4.105 -10.272 1.482 1.00 0.00 O ATOM 373 CB ARG A 25 -4.521 -13.175 2.792 1.00 0.00 C ATOM 374 CG ARG A 25 -5.630 -13.989 3.418 1.00 0.00 C ATOM 375 CD ARG A 25 -5.227 -14.499 4.780 1.00 0.00 C ATOM 376 NE ARG A 25 -4.104 -15.454 4.729 1.00 0.00 N ATOM 377 CZ ARG A 25 -3.090 -15.468 5.608 1.00 0.00 C ATOM 378 NH1 ARG A 25 -2.831 -14.391 6.340 1.00 0.00 N ATOM 379 NH2 ARG A 25 -2.274 -16.514 5.677 1.00 0.00 N ATOM 0 H ARG A 25 -4.556 -14.424 0.617 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.884 -12.086 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.652 -13.816 2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.223 -12.389 3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.528 -13.378 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.878 -14.830 2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.950 -13.654 5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.085 -14.980 5.250 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.098 -16.146 3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.403 -13.553 6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.060 -14.402 7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.416 -17.313 5.059 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.505 -16.518 6.347 1.00 0.00 H new ATOM 393 N GLN A 26 -2.915 -11.786 0.329 1.00 0.00 N ATOM 394 CA GLN A 26 -1.940 -10.818 -0.128 1.00 0.00 C ATOM 395 C GLN A 26 -2.601 -9.848 -1.123 1.00 0.00 C ATOM 396 O GLN A 26 -2.382 -8.631 -1.067 1.00 0.00 O ATOM 397 CB GLN A 26 -0.752 -11.535 -0.760 1.00 0.00 C ATOM 398 CG GLN A 26 0.347 -10.613 -1.215 1.00 0.00 C ATOM 399 CD GLN A 26 1.512 -11.344 -1.832 1.00 0.00 C ATOM 400 OE1 GLN A 26 1.823 -12.478 -1.471 1.00 0.00 O ATOM 401 NE2 GLN A 26 2.163 -10.710 -2.760 1.00 0.00 N ATOM 0 H GLN A 26 -2.745 -12.739 0.009 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.572 -10.240 0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.343 -12.244 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.103 -12.115 -1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.056 -9.906 -1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.700 -10.030 -0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.876 -9.770 -3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.961 -11.152 -3.216 1.00 0.00 H new ATOM 410 N ARG A 27 -3.453 -10.395 -1.987 1.00 0.00 N ATOM 411 CA ARG A 27 -4.201 -9.620 -2.966 1.00 0.00 C ATOM 412 C ARG A 27 -5.135 -8.644 -2.241 1.00 0.00 C ATOM 413 O ARG A 27 -5.368 -7.537 -2.708 1.00 0.00 O ATOM 414 CB ARG A 27 -5.012 -10.558 -3.885 1.00 0.00 C ATOM 415 CG ARG A 27 -5.696 -9.880 -5.071 1.00 0.00 C ATOM 416 CD ARG A 27 -4.685 -9.376 -6.098 1.00 0.00 C ATOM 417 NE ARG A 27 -3.940 -10.473 -6.737 1.00 0.00 N ATOM 418 CZ ARG A 27 -2.822 -10.340 -7.468 1.00 0.00 C ATOM 419 NH1 ARG A 27 -2.274 -9.144 -7.651 1.00 0.00 N ATOM 420 NH2 ARG A 27 -2.277 -11.409 -8.034 1.00 0.00 N ATOM 0 H ARG A 27 -3.643 -11.396 -2.025 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.504 -9.054 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.346 -11.332 -4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.773 -11.058 -3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.378 -10.584 -5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.298 -9.045 -4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.205 -8.800 -6.863 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.983 -8.699 -5.611 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.305 -11.417 -6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.703 -8.317 -7.235 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.424 -9.052 -8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.707 -12.326 -7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.428 -11.314 -8.591 1.00 0.00 H new ATOM 434 N ARG A 28 -5.652 -9.069 -1.085 1.00 0.00 N ATOM 435 CA ARG A 28 -6.489 -8.201 -0.254 1.00 0.00 C ATOM 436 C ARG A 28 -5.656 -7.055 0.288 1.00 0.00 C ATOM 437 O ARG A 28 -6.019 -5.888 0.142 1.00 0.00 O ATOM 438 CB ARG A 28 -7.116 -8.961 0.921 1.00 0.00 C ATOM 439 CG ARG A 28 -8.145 -10.004 0.540 1.00 0.00 C ATOM 440 CD ARG A 28 -8.774 -10.627 1.777 1.00 0.00 C ATOM 441 NE ARG A 28 -9.441 -9.620 2.623 1.00 0.00 N ATOM 442 CZ ARG A 28 -10.028 -9.861 3.812 1.00 0.00 C ATOM 443 NH1 ARG A 28 -10.022 -11.090 4.339 1.00 0.00 N ATOM 444 NH2 ARG A 28 -10.616 -8.863 4.469 1.00 0.00 N ATOM 0 H ARG A 28 -5.506 -10.004 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.295 -7.824 -0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.320 -9.448 1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.584 -8.240 1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.920 -9.547 -0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.675 -10.780 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.498 -11.383 1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.005 -11.137 2.358 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.460 -8.660 2.279 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.570 -11.857 3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.469 -11.261 5.240 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.620 -7.923 4.072 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.062 -9.038 5.369 1.00 0.00 H new ATOM 458 N CYS A 29 -4.520 -7.402 0.878 1.00 0.00 N ATOM 459 CA CYS A 29 -3.603 -6.433 1.459 1.00 0.00 C ATOM 460 C CYS A 29 -3.191 -5.343 0.501 1.00 0.00 C ATOM 461 O CYS A 29 -3.280 -4.169 0.842 1.00 0.00 O ATOM 462 CB CYS A 29 -2.363 -7.100 2.002 1.00 0.00 C ATOM 463 SG CYS A 29 -2.443 -7.624 3.738 1.00 0.00 S ATOM 0 H CYS A 29 -4.208 -8.369 0.967 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.162 -5.969 2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.145 -7.974 1.388 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.524 -6.413 1.888 1.00 0.00 H new ATOM 468 N GLN A 30 -2.766 -5.715 -0.704 1.00 0.00 N ATOM 469 CA GLN A 30 -2.287 -4.732 -1.663 1.00 0.00 C ATOM 470 C GLN A 30 -3.369 -3.711 -2.025 1.00 0.00 C ATOM 471 O GLN A 30 -3.064 -2.537 -2.272 1.00 0.00 O ATOM 472 CB GLN A 30 -1.668 -5.395 -2.901 1.00 0.00 C ATOM 473 CG GLN A 30 -2.613 -6.243 -3.728 1.00 0.00 C ATOM 474 CD GLN A 30 -1.892 -6.965 -4.839 1.00 0.00 C ATOM 475 OE1 GLN A 30 -1.427 -8.097 -4.663 1.00 0.00 O ATOM 476 NE2 GLN A 30 -1.784 -6.336 -5.976 1.00 0.00 N ATOM 0 H GLN A 30 -2.745 -6.680 -1.034 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.486 -4.174 -1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.254 -4.615 -3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.835 -6.020 -2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.108 -6.970 -3.083 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.393 -5.610 -4.152 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.181 -5.403 -6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.302 -6.777 -6.759 1.00 0.00 H new ATOM 485 N GLN A 31 -4.626 -4.138 -1.980 1.00 0.00 N ATOM 486 CA GLN A 31 -5.742 -3.255 -2.253 1.00 0.00 C ATOM 487 C GLN A 31 -5.914 -2.268 -1.113 1.00 0.00 C ATOM 488 O GLN A 31 -6.169 -1.091 -1.335 1.00 0.00 O ATOM 489 CB GLN A 31 -7.014 -4.050 -2.471 1.00 0.00 C ATOM 490 CG GLN A 31 -6.936 -4.964 -3.665 1.00 0.00 C ATOM 491 CD GLN A 31 -8.169 -5.799 -3.856 1.00 0.00 C ATOM 492 OE1 GLN A 31 -9.285 -5.389 -3.518 1.00 0.00 O ATOM 493 NE2 GLN A 31 -7.991 -6.958 -4.414 1.00 0.00 N ATOM 0 H GLN A 31 -4.893 -5.096 -1.755 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.533 -2.700 -3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.224 -4.642 -1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.849 -3.362 -2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.768 -4.366 -4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.074 -5.622 -3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.053 -7.258 -4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.790 -7.568 -4.589 1.00 0.00 H new ATOM 502 N VAL A 32 -5.721 -2.749 0.106 1.00 0.00 N ATOM 503 CA VAL A 32 -5.785 -1.903 1.291 1.00 0.00 C ATOM 504 C VAL A 32 -4.632 -0.897 1.239 1.00 0.00 C ATOM 505 O VAL A 32 -4.800 0.285 1.552 1.00 0.00 O ATOM 506 CB VAL A 32 -5.677 -2.731 2.605 1.00 0.00 C ATOM 507 CG1 VAL A 32 -5.831 -1.839 3.833 1.00 0.00 C ATOM 508 CG2 VAL A 32 -6.701 -3.855 2.628 1.00 0.00 C ATOM 0 H VAL A 32 -5.517 -3.729 0.302 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.750 -1.396 1.294 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.682 -3.176 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.751 -2.445 4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.047 -1.082 3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.806 -1.351 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.603 -4.417 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.704 -3.434 2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.530 -4.520 1.782 1.00 0.00 H new ATOM 518 N CYS A 33 -3.476 -1.377 0.808 1.00 0.00 N ATOM 519 CA CYS A 33 -2.290 -0.550 0.663 1.00 0.00 C ATOM 520 C CYS A 33 -2.541 0.612 -0.302 1.00 0.00 C ATOM 521 O CYS A 33 -2.237 1.761 0.018 1.00 0.00 O ATOM 522 CB CYS A 33 -1.091 -1.382 0.181 1.00 0.00 C ATOM 523 SG CYS A 33 -0.642 -2.778 1.270 1.00 0.00 S ATOM 0 H CYS A 33 -3.334 -2.353 0.549 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.057 -0.141 1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.312 -1.771 -0.813 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.227 -0.725 0.081 1.00 0.00 H new ATOM 528 N GLU A 34 -3.134 0.326 -1.460 1.00 0.00 N ATOM 529 CA GLU A 34 -3.393 1.377 -2.439 1.00 0.00 C ATOM 530 C GLU A 34 -4.585 2.239 -2.038 1.00 0.00 C ATOM 531 O GLU A 34 -4.671 3.408 -2.433 1.00 0.00 O ATOM 532 CB GLU A 34 -3.556 0.826 -3.852 1.00 0.00 C ATOM 533 CG GLU A 34 -4.692 -0.139 -4.026 1.00 0.00 C ATOM 534 CD GLU A 34 -4.769 -0.647 -5.423 1.00 0.00 C ATOM 535 OE1 GLU A 34 -4.059 -1.605 -5.751 1.00 0.00 O ATOM 536 OE2 GLU A 34 -5.540 -0.088 -6.242 1.00 0.00 O ATOM 0 H GLU A 34 -3.439 -0.607 -1.739 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.511 2.017 -2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.699 1.661 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.630 0.330 -4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.567 -0.977 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.630 0.351 -3.764 1.00 0.00 H new ATOM 543 N LYS A 35 -5.500 1.663 -1.265 1.00 0.00 N ATOM 544 CA LYS A 35 -6.621 2.404 -0.712 1.00 0.00 C ATOM 545 C LYS A 35 -6.094 3.488 0.208 1.00 0.00 C ATOM 546 O LYS A 35 -6.399 4.667 0.021 1.00 0.00 O ATOM 547 CB LYS A 35 -7.578 1.463 0.052 1.00 0.00 C ATOM 548 CG LYS A 35 -8.723 2.164 0.799 1.00 0.00 C ATOM 549 CD LYS A 35 -9.672 2.931 -0.124 1.00 0.00 C ATOM 550 CE LYS A 35 -10.428 2.009 -1.069 1.00 0.00 C ATOM 551 NZ LYS A 35 -11.409 2.751 -1.884 1.00 0.00 N ATOM 0 H LYS A 35 -5.483 0.676 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.185 2.860 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.007 0.754 -0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.997 0.884 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.292 1.420 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.301 2.855 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.385 3.494 0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.103 3.656 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.721 1.500 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.941 1.239 -0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.905 2.091 -2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.098 3.216 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.916 3.469 -2.452 1.00 0.00 H new ATOM 565 N ARG A 36 -5.242 3.089 1.158 1.00 0.00 N ATOM 566 CA ARG A 36 -4.653 4.036 2.100 1.00 0.00 C ATOM 567 C ARG A 36 -3.739 4.999 1.368 1.00 0.00 C ATOM 568 O ARG A 36 -3.571 6.138 1.781 1.00 0.00 O ATOM 569 CB ARG A 36 -3.831 3.350 3.181 1.00 0.00 C ATOM 570 CG ARG A 36 -4.539 2.305 4.006 1.00 0.00 C ATOM 571 CD ARG A 36 -3.645 1.868 5.156 1.00 0.00 C ATOM 572 NE ARG A 36 -2.283 1.506 4.706 1.00 0.00 N ATOM 573 CZ ARG A 36 -1.239 1.236 5.511 1.00 0.00 C ATOM 574 NH1 ARG A 36 -1.366 1.320 6.834 1.00 0.00 N ATOM 575 NH2 ARG A 36 -0.055 0.938 4.977 1.00 0.00 N ATOM 0 H ARG A 36 -4.948 2.121 1.292 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.486 4.559 2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.967 2.883 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.449 4.116 3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.476 2.706 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.793 1.447 3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.581 2.673 5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.097 1.014 5.660 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.122 1.457 3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.260 1.591 7.244 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.570 1.114 7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.056 0.916 3.963 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.740 0.732 5.582 1.00 0.00 H new ATOM 589 N LEU A 37 -3.138 4.521 0.290 1.00 0.00 N ATOM 590 CA LEU A 37 -2.249 5.325 -0.526 1.00 0.00 C ATOM 591 C LEU A 37 -3.033 6.435 -1.204 1.00 0.00 C ATOM 592 O LEU A 37 -2.598 7.573 -1.220 1.00 0.00 O ATOM 593 CB LEU A 37 -1.489 4.420 -1.536 1.00 0.00 C ATOM 594 CG LEU A 37 -0.403 5.047 -2.456 1.00 0.00 C ATOM 595 CD1 LEU A 37 -1.005 5.765 -3.640 1.00 0.00 C ATOM 596 CD2 LEU A 37 0.501 5.989 -1.674 1.00 0.00 C ATOM 0 H LEU A 37 -3.254 3.564 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.496 5.802 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.014 3.621 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.233 3.952 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 37 0.197 4.222 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.209 6.186 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.587 5.061 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.654 6.567 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.250 6.413 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.096 6.792 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.997 5.438 -0.875 1.00 0.00 H new ATOM 608 N ARG A 38 -4.212 6.112 -1.720 1.00 0.00 N ATOM 609 CA ARG A 38 -5.048 7.114 -2.365 1.00 0.00 C ATOM 610 C ARG A 38 -5.489 8.153 -1.333 1.00 0.00 C ATOM 611 O ARG A 38 -5.570 9.357 -1.632 1.00 0.00 O ATOM 612 CB ARG A 38 -6.251 6.471 -3.074 1.00 0.00 C ATOM 613 CG ARG A 38 -7.106 7.461 -3.851 1.00 0.00 C ATOM 614 CD ARG A 38 -8.177 6.765 -4.669 1.00 0.00 C ATOM 615 NE ARG A 38 -9.029 7.730 -5.376 1.00 0.00 N ATOM 616 CZ ARG A 38 -9.641 7.522 -6.549 1.00 0.00 C ATOM 617 NH1 ARG A 38 -9.481 6.379 -7.209 1.00 0.00 N ATOM 618 NH2 ARG A 38 -10.408 8.467 -7.064 1.00 0.00 N ATOM 0 H ARG A 38 -4.608 5.172 -1.705 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.464 7.616 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.890 5.702 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.874 5.971 -2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.575 8.158 -3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.470 8.049 -4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.708 6.096 -5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.792 6.147 -4.014 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.167 8.639 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.886 5.646 -6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.954 6.235 -8.101 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.532 9.350 -6.568 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.876 8.313 -7.957 1.00 0.00 H new ATOM 632 N GLU A 39 -5.724 7.689 -0.108 1.00 0.00 N ATOM 633 CA GLU A 39 -6.039 8.571 1.002 1.00 0.00 C ATOM 634 C GLU A 39 -4.832 9.462 1.282 1.00 0.00 C ATOM 635 O GLU A 39 -4.952 10.672 1.359 1.00 0.00 O ATOM 636 CB GLU A 39 -6.375 7.777 2.267 1.00 0.00 C ATOM 637 CG GLU A 39 -7.519 6.797 2.117 1.00 0.00 C ATOM 638 CD GLU A 39 -7.880 6.148 3.425 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.843 6.617 4.079 1.00 0.00 O ATOM 640 OE2 GLU A 39 -7.220 5.184 3.836 1.00 0.00 O ATOM 0 H GLU A 39 -5.701 6.699 0.137 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.909 9.169 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.486 7.231 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.618 8.478 3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.390 7.315 1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.246 6.028 1.394 1.00 0.00 H new ATOM 647 N ARG A 40 -3.667 8.827 1.381 1.00 0.00 N ATOM 648 CA ARG A 40 -2.386 9.484 1.640 1.00 0.00 C ATOM 649 C ARG A 40 -2.118 10.587 0.615 1.00 0.00 C ATOM 650 O ARG A 40 -1.684 11.688 0.973 1.00 0.00 O ATOM 651 CB ARG A 40 -1.250 8.441 1.605 1.00 0.00 C ATOM 652 CG ARG A 40 0.142 8.986 1.902 1.00 0.00 C ATOM 653 CD ARG A 40 0.230 9.564 3.300 1.00 0.00 C ATOM 654 NE ARG A 40 -0.032 8.562 4.333 1.00 0.00 N ATOM 655 CZ ARG A 40 -0.288 8.832 5.611 1.00 0.00 C ATOM 656 NH1 ARG A 40 -0.420 10.092 6.022 1.00 0.00 N ATOM 657 NH2 ARG A 40 -0.416 7.838 6.471 1.00 0.00 N ATOM 0 H ARG A 40 -3.584 7.815 1.281 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.427 9.943 2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.477 7.656 2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.237 7.974 0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.877 8.188 1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.395 9.756 1.173 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.222 9.989 3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.486 10.380 3.399 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.017 7.581 4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.325 10.858 5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.616 10.291 7.003 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.319 6.873 6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.612 8.035 7.452 1.00 0.00 H new ATOM 671 N GLU A 41 -2.392 10.291 -0.646 1.00 0.00 N ATOM 672 CA GLU A 41 -2.213 11.258 -1.714 1.00 0.00 C ATOM 673 C GLU A 41 -3.134 12.444 -1.534 1.00 0.00 C ATOM 674 O GLU A 41 -2.726 13.575 -1.724 1.00 0.00 O ATOM 675 CB GLU A 41 -2.448 10.650 -3.080 1.00 0.00 C ATOM 676 CG GLU A 41 -1.524 9.511 -3.428 1.00 0.00 C ATOM 677 CD GLU A 41 -1.564 9.209 -4.891 1.00 0.00 C ATOM 678 OE1 GLU A 41 -0.752 9.788 -5.630 1.00 0.00 O ATOM 679 OE2 GLU A 41 -2.429 8.423 -5.351 1.00 0.00 O ATOM 0 H GLU A 41 -2.741 9.383 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.176 11.589 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.477 10.295 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.341 11.430 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.505 9.763 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.808 8.623 -2.863 1.00 0.00 H new ATOM 686 N GLY A 42 -4.356 12.178 -1.105 1.00 0.00 N ATOM 687 CA GLY A 42 -5.328 13.236 -0.895 1.00 0.00 C ATOM 688 C GLY A 42 -5.004 14.072 0.326 1.00 0.00 C ATOM 689 O GLY A 42 -5.541 15.164 0.512 1.00 0.00 O ATOM 0 H GLY A 42 -4.698 11.240 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.361 13.878 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.320 12.799 -0.782 1.00 0.00 H new ATOM 693 N ARG A 43 -4.147 13.549 1.168 1.00 0.00 N ATOM 694 CA ARG A 43 -3.691 14.270 2.331 1.00 0.00 C ATOM 695 C ARG A 43 -2.521 15.154 1.933 1.00 0.00 C ATOM 696 O ARG A 43 -2.293 16.207 2.520 1.00 0.00 O ATOM 697 CB ARG A 43 -3.289 13.307 3.449 1.00 0.00 C ATOM 698 CG ARG A 43 -4.406 12.369 3.863 1.00 0.00 C ATOM 699 CD ARG A 43 -3.966 11.391 4.929 1.00 0.00 C ATOM 700 NE ARG A 43 -4.980 10.354 5.170 1.00 0.00 N ATOM 701 CZ ARG A 43 -4.889 9.377 6.091 1.00 0.00 C ATOM 702 NH1 ARG A 43 -3.879 9.370 6.969 1.00 0.00 N ATOM 703 NH2 ARG A 43 -5.840 8.441 6.159 1.00 0.00 N ATOM 0 H ARG A 43 -3.747 12.616 1.068 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.502 14.890 2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.432 12.718 3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.967 13.883 4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.249 12.952 4.233 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.758 11.819 2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.030 10.921 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.768 11.929 5.856 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.820 10.377 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.174 10.107 6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.814 8.628 7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.630 8.469 5.515 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.776 7.698 6.855 1.00 0.00 H new ATOM 717 N ARG A 44 -1.780 14.722 0.926 1.00 0.00 N ATOM 718 CA ARG A 44 -0.680 15.511 0.417 1.00 0.00 C ATOM 719 C ARG A 44 -1.250 16.599 -0.474 1.00 0.00 C ATOM 720 O ARG A 44 -0.935 17.776 -0.321 1.00 0.00 O ATOM 721 CB ARG A 44 0.314 14.650 -0.384 1.00 0.00 C ATOM 722 CG ARG A 44 1.558 15.422 -0.819 1.00 0.00 C ATOM 723 CD ARG A 44 2.512 14.582 -1.659 1.00 0.00 C ATOM 724 NE ARG A 44 3.793 15.277 -1.854 1.00 0.00 N ATOM 725 CZ ARG A 44 4.878 14.783 -2.481 1.00 0.00 C ATOM 726 NH1 ARG A 44 4.808 13.656 -3.165 1.00 0.00 N ATOM 727 NH2 ARG A 44 6.014 15.458 -2.458 1.00 0.00 N ATOM 0 H ARG A 44 -1.923 13.832 0.449 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.135 15.942 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.617 13.796 0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.187 14.253 -1.267 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.254 16.299 -1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.083 15.784 0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.685 13.623 -1.170 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.059 14.369 -2.627 1.00 0.00 H new ATOM 0 HE ARG A 44 3.867 16.223 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.925 13.149 -3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.637 13.293 -3.635 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.067 16.350 -1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.837 15.087 -2.932 1.00 0.00 H new ATOM 741 N GLU A 45 -2.113 16.188 -1.363 1.00 0.00 N ATOM 742 CA GLU A 45 -2.745 17.052 -2.302 1.00 0.00 C ATOM 743 C GLU A 45 -4.209 17.199 -1.887 1.00 0.00 C ATOM 744 O GLU A 45 -5.051 16.354 -2.223 1.00 0.00 O ATOM 745 CB GLU A 45 -2.650 16.412 -3.687 1.00 0.00 C ATOM 746 CG GLU A 45 -2.887 17.351 -4.838 1.00 0.00 C ATOM 747 CD GLU A 45 -1.838 18.429 -4.902 1.00 0.00 C ATOM 748 OE1 GLU A 45 -2.183 19.629 -4.771 1.00 0.00 O ATOM 749 OE2 GLU A 45 -0.647 18.097 -5.048 1.00 0.00 O ATOM 0 H GLU A 45 -2.399 15.213 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.269 18.032 -2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.661 15.967 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.374 15.599 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.889 16.789 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.872 17.807 -4.739 1.00 0.00 H new ATOM 756 N VAL A 46 -4.507 18.221 -1.119 1.00 0.00 N ATOM 757 CA VAL A 46 -5.845 18.383 -0.586 1.00 0.00 C ATOM 758 C VAL A 46 -6.712 19.284 -1.481 1.00 0.00 C ATOM 759 O VAL A 46 -7.920 19.071 -1.608 1.00 0.00 O ATOM 760 CB VAL A 46 -5.828 18.897 0.898 1.00 0.00 C ATOM 761 CG1 VAL A 46 -5.289 20.316 1.020 1.00 0.00 C ATOM 762 CG2 VAL A 46 -7.199 18.774 1.546 1.00 0.00 C ATOM 0 H VAL A 46 -3.847 18.950 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.302 17.393 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.139 18.250 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.300 20.621 2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.267 20.351 0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.914 20.994 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.151 19.139 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.921 19.366 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.509 17.729 1.547 1.00 0.00 H new ATOM 772 N ASP A 47 -6.098 20.235 -2.141 1.00 0.00 N ATOM 773 CA ASP A 47 -6.833 21.161 -2.979 1.00 0.00 C ATOM 774 C ASP A 47 -6.671 20.796 -4.438 1.00 0.00 C ATOM 775 O ASP A 47 -5.555 20.843 -4.963 1.00 0.00 O ATOM 776 CB ASP A 47 -6.462 22.643 -2.710 1.00 0.00 C ATOM 777 CG ASP A 47 -5.047 23.012 -3.088 1.00 0.00 C ATOM 778 OD1 ASP A 47 -4.838 23.598 -4.163 1.00 0.00 O ATOM 779 OD2 ASP A 47 -4.110 22.719 -2.314 1.00 0.00 O ATOM 780 OXT ASP A 47 -7.690 20.452 -5.086 1.00 0.00 O ATOM 0 H ASP A 47 -5.090 20.391 -2.117 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.887 21.068 -2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.151 23.283 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.609 22.855 -1.651 1.00 0.00 H new TER 785 ASP A 47