USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=4 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 Set 1.1: A 26 GLN : amide:sc= 0.562 K(o=1.1,f=-0.38) USER MOD Set 1.2: A 30 GLN : amide:sc= 0.51 K(o=1.1,f=-0.39) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 7 THR OG1 : rot 176:sc= -2.23! USER MOD Single : A 9 TYR OH : rot 180:sc= 0.912 USER MOD Single : A 17 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.5!) USER MOD Single : A 21 HIS : no HD1:sc=-0.00741 X(o=-0.0074,f=-0.00031) USER MOD Single : A 31 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.69) USER MOD Single : A 35 LYS NZ :NH3+ 139:sc= -0.778 (180deg=-2.97!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.408 18.098 3.025 1.00 0.00 N ATOM 2 CA PRO A 1 5.520 17.451 3.681 1.00 0.00 C ATOM 3 C PRO A 1 6.060 16.347 2.791 1.00 0.00 C ATOM 4 O PRO A 1 5.644 16.222 1.633 1.00 0.00 O ATOM 5 CB PRO A 1 5.029 16.887 5.005 1.00 0.00 C ATOM 6 CG PRO A 1 3.624 17.406 5.130 1.00 0.00 C ATOM 7 CD PRO A 1 3.437 18.464 4.049 1.00 0.00 C ATOM 0 H2 PRO A 1 3.985 17.473 2.339 1.00 0.00 H new ATOM 0 H3 PRO A 1 4.724 18.926 2.520 1.00 0.00 H new ATOM 0 HA PRO A 1 6.325 18.162 3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 1 5.052 15.797 5.007 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.652 17.220 5.835 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.903 16.598 5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.458 17.833 6.119 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.420 18.457 3.656 1.00 0.00 H new ATOM 0 HD3 PRO A 1 3.623 19.466 4.435 1.00 0.00 H new ATOM 17 N ARG A 2 6.985 15.563 3.310 1.00 0.00 N ATOM 18 CA ARG A 2 7.576 14.472 2.562 1.00 0.00 C ATOM 19 C ARG A 2 6.860 13.169 2.890 1.00 0.00 C ATOM 20 O ARG A 2 5.901 13.160 3.658 1.00 0.00 O ATOM 21 CB ARG A 2 9.067 14.334 2.866 1.00 0.00 C ATOM 22 CG ARG A 2 9.890 15.570 2.560 1.00 0.00 C ATOM 23 CD ARG A 2 11.369 15.280 2.716 1.00 0.00 C ATOM 24 NE ARG A 2 11.847 14.277 1.741 1.00 0.00 N ATOM 25 CZ ARG A 2 12.586 13.193 2.047 1.00 0.00 C ATOM 26 NH1 ARG A 2 12.758 12.834 3.318 1.00 0.00 N ATOM 27 NH2 ARG A 2 13.096 12.435 1.073 1.00 0.00 N ATOM 0 H ARG A 2 7.346 15.664 4.258 1.00 0.00 H new ATOM 0 HA ARG A 2 7.465 14.692 1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.188 14.085 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.465 13.497 2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.685 15.907 1.544 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.601 16.381 3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.934 16.204 2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.563 14.922 3.727 1.00 0.00 H new ATOM 0 HE ARG A 2 11.598 14.416 0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.329 13.381 4.065 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.318 12.012 3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.926 12.677 0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.655 11.614 1.305 1.00 0.00 H new ATOM 41 N GLY A 3 7.322 12.099 2.322 1.00 0.00 N ATOM 42 CA GLY A 3 6.714 10.820 2.525 1.00 0.00 C ATOM 43 C GLY A 3 6.261 10.273 1.208 1.00 0.00 C ATOM 44 O GLY A 3 5.347 10.830 0.580 1.00 0.00 O ATOM 0 H GLY A 3 8.133 12.087 1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 3 7.424 10.137 2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 3 5.867 10.911 3.205 1.00 0.00 H new ATOM 48 N SER A 4 6.909 9.243 0.744 1.00 0.00 N ATOM 49 CA SER A 4 6.592 8.689 -0.541 1.00 0.00 C ATOM 50 C SER A 4 5.394 7.762 -0.453 1.00 0.00 C ATOM 51 O SER A 4 5.365 6.832 0.366 1.00 0.00 O ATOM 52 CB SER A 4 7.786 7.954 -1.149 1.00 0.00 C ATOM 53 OG SER A 4 7.444 7.365 -2.403 1.00 0.00 O ATOM 0 H SER A 4 7.664 8.768 1.239 1.00 0.00 H new ATOM 0 HA SER A 4 6.341 9.522 -1.197 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.614 8.650 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.129 7.180 -0.462 1.00 0.00 H new ATOM 0 HG SER A 4 8.226 6.903 -2.771 1.00 0.00 H new ATOM 59 N PRO A 5 4.382 7.995 -1.302 1.00 0.00 N ATOM 60 CA PRO A 5 3.208 7.142 -1.365 1.00 0.00 C ATOM 61 C PRO A 5 3.538 5.811 -2.036 1.00 0.00 C ATOM 62 O PRO A 5 2.832 4.816 -1.866 1.00 0.00 O ATOM 63 CB PRO A 5 2.228 7.946 -2.223 1.00 0.00 C ATOM 64 CG PRO A 5 3.086 8.816 -3.077 1.00 0.00 C ATOM 65 CD PRO A 5 4.304 9.126 -2.262 1.00 0.00 C ATOM 0 HA PRO A 5 2.812 6.894 -0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.604 7.289 -2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.557 8.540 -1.603 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.356 8.309 -4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.560 9.729 -3.355 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.197 9.186 -2.884 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.209 10.082 -1.748 1.00 0.00 H new ATOM 73 N ARG A 6 4.646 5.789 -2.759 1.00 0.00 N ATOM 74 CA ARG A 6 5.029 4.618 -3.482 1.00 0.00 C ATOM 75 C ARG A 6 5.715 3.646 -2.545 1.00 0.00 C ATOM 76 O ARG A 6 5.391 2.459 -2.539 1.00 0.00 O ATOM 77 CB ARG A 6 5.909 4.985 -4.681 1.00 0.00 C ATOM 78 CG ARG A 6 6.163 3.843 -5.666 1.00 0.00 C ATOM 79 CD ARG A 6 4.853 3.218 -6.162 1.00 0.00 C ATOM 80 NE ARG A 6 3.902 4.216 -6.677 1.00 0.00 N ATOM 81 CZ ARG A 6 2.667 3.941 -7.142 1.00 0.00 C ATOM 82 NH1 ARG A 6 2.265 2.667 -7.301 1.00 0.00 N ATOM 83 NH2 ARG A 6 1.844 4.942 -7.466 1.00 0.00 N ATOM 0 H ARG A 6 5.287 6.577 -2.852 1.00 0.00 H new ATOM 0 HA ARG A 6 4.141 4.130 -3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.441 5.811 -5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.868 5.347 -4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.733 4.217 -6.517 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.772 3.077 -5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.075 2.496 -6.948 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.387 2.667 -5.345 1.00 0.00 H new ATOM 0 HE ARG A 6 4.200 5.191 -6.683 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.896 1.900 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.329 2.468 -7.653 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.151 5.909 -7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.908 4.739 -7.818 1.00 0.00 H new ATOM 97 N THR A 7 6.616 4.152 -1.715 1.00 0.00 N ATOM 98 CA THR A 7 7.284 3.309 -0.749 1.00 0.00 C ATOM 99 C THR A 7 6.303 2.868 0.334 1.00 0.00 C ATOM 100 O THR A 7 6.391 1.755 0.841 1.00 0.00 O ATOM 101 CB THR A 7 8.506 4.013 -0.131 1.00 0.00 C ATOM 102 OG1 THR A 7 8.122 5.303 0.361 1.00 0.00 O ATOM 103 CG2 THR A 7 9.609 4.170 -1.160 1.00 0.00 C ATOM 0 H THR A 7 6.895 5.133 -1.695 1.00 0.00 H new ATOM 0 HA THR A 7 7.650 2.424 -1.270 1.00 0.00 H new ATOM 0 HB THR A 7 8.879 3.403 0.691 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.885 5.722 0.812 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.464 4.670 -0.704 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.913 3.187 -1.520 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.244 4.766 -1.996 1.00 0.00 H new ATOM 111 N GLU A 8 5.340 3.752 0.641 1.00 0.00 N ATOM 112 CA GLU A 8 4.266 3.471 1.594 1.00 0.00 C ATOM 113 C GLU A 8 3.514 2.218 1.152 1.00 0.00 C ATOM 114 O GLU A 8 3.322 1.270 1.933 1.00 0.00 O ATOM 115 CB GLU A 8 3.301 4.669 1.631 1.00 0.00 C ATOM 116 CG GLU A 8 2.129 4.539 2.597 1.00 0.00 C ATOM 117 CD GLU A 8 2.571 4.373 4.023 1.00 0.00 C ATOM 118 OE1 GLU A 8 2.380 3.286 4.599 1.00 0.00 O ATOM 119 OE2 GLU A 8 3.137 5.318 4.595 1.00 0.00 O ATOM 0 H GLU A 8 5.289 4.684 0.231 1.00 0.00 H new ATOM 0 HA GLU A 8 4.684 3.309 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.868 5.562 1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.906 4.826 0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.497 5.424 2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.518 3.684 2.308 1.00 0.00 H new ATOM 126 N TYR A 9 3.151 2.201 -0.115 1.00 0.00 N ATOM 127 CA TYR A 9 2.434 1.130 -0.702 1.00 0.00 C ATOM 128 C TYR A 9 3.300 -0.124 -0.774 1.00 0.00 C ATOM 129 O TYR A 9 2.864 -1.207 -0.377 1.00 0.00 O ATOM 130 CB TYR A 9 1.975 1.579 -2.088 1.00 0.00 C ATOM 131 CG TYR A 9 1.504 0.484 -2.982 1.00 0.00 C ATOM 132 CD1 TYR A 9 2.404 -0.184 -3.760 1.00 0.00 C ATOM 133 CD2 TYR A 9 0.186 0.117 -3.030 1.00 0.00 C ATOM 134 CE1 TYR A 9 2.023 -1.212 -4.577 1.00 0.00 C ATOM 135 CE2 TYR A 9 -0.233 -0.913 -3.850 1.00 0.00 C ATOM 136 CZ TYR A 9 0.699 -1.581 -4.620 1.00 0.00 C ATOM 137 OH TYR A 9 0.300 -2.613 -5.444 1.00 0.00 O ATOM 0 H TYR A 9 3.360 2.959 -0.765 1.00 0.00 H new ATOM 0 HA TYR A 9 1.565 0.874 -0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.169 2.303 -1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.800 2.097 -2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.444 0.107 -3.730 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.535 0.639 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.754 -1.728 -5.182 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.276 -1.192 -3.888 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.667 -2.748 -5.355 1.00 0.00 H new ATOM 147 N GLU A 10 4.507 0.038 -1.293 1.00 0.00 N ATOM 148 CA GLU A 10 5.449 -1.048 -1.462 1.00 0.00 C ATOM 149 C GLU A 10 5.708 -1.763 -0.136 1.00 0.00 C ATOM 150 O GLU A 10 5.552 -2.972 -0.056 1.00 0.00 O ATOM 151 CB GLU A 10 6.743 -0.521 -2.078 1.00 0.00 C ATOM 152 CG GLU A 10 7.766 -1.587 -2.412 1.00 0.00 C ATOM 153 CD GLU A 10 8.989 -1.008 -3.059 1.00 0.00 C ATOM 154 OE1 GLU A 10 9.021 -0.892 -4.310 1.00 0.00 O ATOM 155 OE2 GLU A 10 9.940 -0.639 -2.339 1.00 0.00 O ATOM 0 H GLU A 10 4.861 0.940 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 10 5.020 -1.783 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.499 0.027 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.194 0.192 -1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.052 -2.113 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.318 -2.324 -3.078 1.00 0.00 H new ATOM 162 N ALA A 11 6.031 -1.004 0.906 1.00 0.00 N ATOM 163 CA ALA A 11 6.282 -1.570 2.234 1.00 0.00 C ATOM 164 C ALA A 11 5.058 -2.331 2.733 1.00 0.00 C ATOM 165 O ALA A 11 5.169 -3.448 3.227 1.00 0.00 O ATOM 166 CB ALA A 11 6.657 -0.473 3.223 1.00 0.00 C ATOM 0 H ALA A 11 6.126 0.010 0.859 1.00 0.00 H new ATOM 0 HA ALA A 11 7.117 -2.266 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.839 -0.914 4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.559 0.034 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.841 0.247 3.295 1.00 0.00 H new ATOM 172 N CYS A 12 3.900 -1.735 2.535 1.00 0.00 N ATOM 173 CA CYS A 12 2.626 -2.312 2.939 1.00 0.00 C ATOM 174 C CYS A 12 2.408 -3.674 2.242 1.00 0.00 C ATOM 175 O CYS A 12 2.075 -4.692 2.893 1.00 0.00 O ATOM 176 CB CYS A 12 1.498 -1.314 2.579 1.00 0.00 C ATOM 177 SG CYS A 12 -0.203 -1.858 2.943 1.00 0.00 S ATOM 0 H CYS A 12 3.812 -0.825 2.084 1.00 0.00 H new ATOM 0 HA CYS A 12 2.620 -2.490 4.014 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.682 -0.382 3.114 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.566 -1.090 1.514 1.00 0.00 H new ATOM 182 N ARG A 13 2.661 -3.698 0.946 1.00 0.00 N ATOM 183 CA ARG A 13 2.466 -4.864 0.129 1.00 0.00 C ATOM 184 C ARG A 13 3.528 -5.941 0.402 1.00 0.00 C ATOM 185 O ARG A 13 3.184 -7.103 0.634 1.00 0.00 O ATOM 186 CB ARG A 13 2.443 -4.444 -1.342 1.00 0.00 C ATOM 187 CG ARG A 13 2.339 -5.585 -2.318 1.00 0.00 C ATOM 188 CD ARG A 13 2.219 -5.075 -3.741 1.00 0.00 C ATOM 189 NE ARG A 13 2.287 -6.161 -4.716 1.00 0.00 N ATOM 190 CZ ARG A 13 1.912 -6.079 -5.999 1.00 0.00 C ATOM 191 NH1 ARG A 13 1.300 -4.988 -6.462 1.00 0.00 N ATOM 192 NH2 ARG A 13 2.139 -7.102 -6.816 1.00 0.00 N ATOM 0 H ARG A 13 3.013 -2.891 0.431 1.00 0.00 H new ATOM 0 HA ARG A 13 1.508 -5.318 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.601 -3.770 -1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.349 -3.879 -1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.217 -6.224 -2.230 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.472 -6.199 -2.074 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.276 -4.541 -3.857 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.017 -4.359 -3.939 1.00 0.00 H new ATOM 0 HE ARG A 13 2.651 -7.057 -4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.113 -4.204 -5.837 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.019 -4.938 -7.441 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.596 -7.943 -6.465 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.856 -7.046 -7.794 1.00 0.00 H new ATOM 206 N VAL A 14 4.797 -5.543 0.417 1.00 0.00 N ATOM 207 CA VAL A 14 5.907 -6.472 0.645 1.00 0.00 C ATOM 208 C VAL A 14 5.796 -7.136 2.009 1.00 0.00 C ATOM 209 O VAL A 14 5.937 -8.350 2.119 1.00 0.00 O ATOM 210 CB VAL A 14 7.305 -5.786 0.490 1.00 0.00 C ATOM 211 CG1 VAL A 14 8.443 -6.757 0.812 1.00 0.00 C ATOM 212 CG2 VAL A 14 7.480 -5.256 -0.920 1.00 0.00 C ATOM 0 H VAL A 14 5.087 -4.576 0.273 1.00 0.00 H new ATOM 0 HA VAL A 14 5.831 -7.237 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 14 7.344 -4.959 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.400 -6.248 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.342 -7.108 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.399 -7.608 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.457 -4.782 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.408 -6.080 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.700 -4.525 -1.133 1.00 0.00 H new ATOM 222 N ARG A 15 5.496 -6.353 3.039 1.00 0.00 N ATOM 223 CA ARG A 15 5.371 -6.904 4.384 1.00 0.00 C ATOM 224 C ARG A 15 4.210 -7.888 4.474 1.00 0.00 C ATOM 225 O ARG A 15 4.307 -8.899 5.159 1.00 0.00 O ATOM 226 CB ARG A 15 5.300 -5.813 5.453 1.00 0.00 C ATOM 227 CG ARG A 15 6.586 -5.001 5.561 1.00 0.00 C ATOM 228 CD ARG A 15 6.485 -3.902 6.604 1.00 0.00 C ATOM 229 NE ARG A 15 7.696 -3.060 6.622 1.00 0.00 N ATOM 230 CZ ARG A 15 7.781 -1.832 7.160 1.00 0.00 C ATOM 231 NH1 ARG A 15 6.760 -1.334 7.858 1.00 0.00 N ATOM 232 NH2 ARG A 15 8.904 -1.117 7.031 1.00 0.00 N ATOM 0 H ARG A 15 5.337 -5.348 2.971 1.00 0.00 H new ATOM 0 HA ARG A 15 6.282 -7.466 4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.471 -5.142 5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.084 -6.271 6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.413 -5.665 5.814 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.817 -4.559 4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.613 -3.282 6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.335 -4.346 7.588 1.00 0.00 H new ATOM 0 HE ARG A 15 8.538 -3.441 6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.912 -1.886 7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.827 -0.401 8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.699 -1.504 6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.965 -0.185 7.441 1.00 0.00 H new ATOM 246 N CYS A 16 3.130 -7.630 3.745 1.00 0.00 N ATOM 247 CA CYS A 16 2.044 -8.602 3.679 1.00 0.00 C ATOM 248 C CYS A 16 2.470 -9.863 2.953 1.00 0.00 C ATOM 249 O CYS A 16 2.101 -10.947 3.341 1.00 0.00 O ATOM 250 CB CYS A 16 0.772 -8.036 3.062 1.00 0.00 C ATOM 251 SG CYS A 16 -0.200 -6.978 4.181 1.00 0.00 S ATOM 0 H CYS A 16 2.983 -6.778 3.204 1.00 0.00 H new ATOM 0 HA CYS A 16 1.810 -8.856 4.713 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.038 -7.459 2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.145 -8.863 2.728 1.00 0.00 H new ATOM 256 N GLN A 17 3.286 -9.727 1.936 1.00 0.00 N ATOM 257 CA GLN A 17 3.755 -10.887 1.199 1.00 0.00 C ATOM 258 C GLN A 17 4.685 -11.739 2.087 1.00 0.00 C ATOM 259 O GLN A 17 4.787 -12.960 1.927 1.00 0.00 O ATOM 260 CB GLN A 17 4.455 -10.444 -0.090 1.00 0.00 C ATOM 261 CG GLN A 17 4.876 -11.577 -1.018 1.00 0.00 C ATOM 262 CD GLN A 17 3.718 -12.363 -1.623 1.00 0.00 C ATOM 263 OE1 GLN A 17 2.632 -12.515 -1.030 1.00 0.00 O ATOM 264 NE2 GLN A 17 3.937 -12.861 -2.806 1.00 0.00 N ATOM 0 H GLN A 17 3.640 -8.833 1.597 1.00 0.00 H new ATOM 0 HA GLN A 17 2.903 -11.506 0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.789 -9.776 -0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.339 -9.865 0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.479 -11.163 -1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.515 -12.265 -0.464 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.838 -12.717 -3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.207 -13.396 -3.277 1.00 0.00 H new ATOM 273 N VAL A 18 5.338 -11.089 3.031 1.00 0.00 N ATOM 274 CA VAL A 18 6.200 -11.773 3.980 1.00 0.00 C ATOM 275 C VAL A 18 5.376 -12.404 5.119 1.00 0.00 C ATOM 276 O VAL A 18 5.564 -13.572 5.461 1.00 0.00 O ATOM 277 CB VAL A 18 7.262 -10.809 4.598 1.00 0.00 C ATOM 278 CG1 VAL A 18 8.154 -11.540 5.588 1.00 0.00 C ATOM 279 CG2 VAL A 18 8.113 -10.170 3.521 1.00 0.00 C ATOM 0 H VAL A 18 5.288 -10.079 3.163 1.00 0.00 H new ATOM 0 HA VAL A 18 6.717 -12.556 3.424 1.00 0.00 H new ATOM 0 HB VAL A 18 6.719 -10.025 5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.884 -10.845 6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.544 -11.949 6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.674 -12.351 5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.843 -9.504 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.633 -10.946 2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.476 -9.599 2.845 1.00 0.00 H new ATOM 289 N ALA A 19 4.474 -11.633 5.691 1.00 0.00 N ATOM 290 CA ALA A 19 3.713 -12.072 6.854 1.00 0.00 C ATOM 291 C ALA A 19 2.478 -12.900 6.510 1.00 0.00 C ATOM 292 O ALA A 19 2.209 -13.910 7.161 1.00 0.00 O ATOM 293 CB ALA A 19 3.332 -10.885 7.707 1.00 0.00 C ATOM 0 H ALA A 19 4.245 -10.692 5.370 1.00 0.00 H new ATOM 0 HA ALA A 19 4.371 -12.736 7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.764 -11.226 8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.234 -10.374 8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.722 -10.197 7.121 1.00 0.00 H new ATOM 299 N GLU A 20 1.726 -12.478 5.523 1.00 0.00 N ATOM 300 CA GLU A 20 0.504 -13.176 5.139 1.00 0.00 C ATOM 301 C GLU A 20 0.856 -14.356 4.267 1.00 0.00 C ATOM 302 O GLU A 20 0.482 -15.492 4.571 1.00 0.00 O ATOM 303 CB GLU A 20 -0.441 -12.238 4.384 1.00 0.00 C ATOM 304 CG GLU A 20 -0.905 -11.036 5.181 1.00 0.00 C ATOM 305 CD GLU A 20 -1.790 -11.411 6.335 1.00 0.00 C ATOM 306 OE1 GLU A 20 -3.026 -11.366 6.179 1.00 0.00 O ATOM 307 OE2 GLU A 20 -1.277 -11.725 7.425 1.00 0.00 O ATOM 0 H GLU A 20 1.933 -11.651 4.963 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.002 -13.521 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.060 -11.888 3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.315 -12.805 4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.035 -10.496 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.443 -10.354 4.522 1.00 0.00 H new ATOM 314 N HIS A 21 1.571 -14.064 3.191 1.00 0.00 N ATOM 315 CA HIS A 21 2.085 -15.047 2.238 1.00 0.00 C ATOM 316 C HIS A 21 0.936 -15.814 1.549 1.00 0.00 C ATOM 317 O HIS A 21 0.393 -16.806 2.078 1.00 0.00 O ATOM 318 CB HIS A 21 3.095 -16.004 2.920 1.00 0.00 C ATOM 319 CG HIS A 21 3.951 -16.798 1.974 1.00 0.00 C ATOM 320 ND1 HIS A 21 5.310 -16.614 1.843 1.00 0.00 N ATOM 321 CD2 HIS A 21 3.630 -17.804 1.129 1.00 0.00 C ATOM 322 CE1 HIS A 21 5.762 -17.483 0.948 1.00 0.00 C ATOM 323 NE2 HIS A 21 4.779 -18.237 0.479 1.00 0.00 N ATOM 0 H HIS A 21 1.820 -13.106 2.945 1.00 0.00 H new ATOM 0 HA HIS A 21 2.623 -14.511 1.456 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.745 -15.419 3.571 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.544 -16.696 3.557 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.639 -18.207 0.983 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.795 -17.565 0.642 1.00 0.00 H new ATOM 0 HE2 HIS A 21 4.851 -18.981 -0.215 1.00 0.00 H new ATOM 331 N GLY A 22 0.550 -15.329 0.408 1.00 0.00 N ATOM 332 CA GLY A 22 -0.510 -15.937 -0.347 1.00 0.00 C ATOM 333 C GLY A 22 -1.125 -14.935 -1.275 1.00 0.00 C ATOM 334 O GLY A 22 -1.122 -13.746 -0.970 1.00 0.00 O ATOM 0 H GLY A 22 0.958 -14.502 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.122 -16.781 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.269 -16.331 0.329 1.00 0.00 H new ATOM 338 N VAL A 23 -1.651 -15.389 -2.391 1.00 0.00 N ATOM 339 CA VAL A 23 -2.218 -14.498 -3.398 1.00 0.00 C ATOM 340 C VAL A 23 -3.534 -13.912 -2.914 1.00 0.00 C ATOM 341 O VAL A 23 -3.781 -12.719 -3.069 1.00 0.00 O ATOM 342 CB VAL A 23 -2.435 -15.218 -4.761 1.00 0.00 C ATOM 343 CG1 VAL A 23 -3.007 -14.266 -5.807 1.00 0.00 C ATOM 344 CG2 VAL A 23 -1.136 -15.811 -5.260 1.00 0.00 C ATOM 0 H VAL A 23 -1.701 -16.379 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.498 -13.695 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.155 -16.020 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.147 -14.800 -6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.967 -13.881 -5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.317 -13.436 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.307 -16.310 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.401 -15.017 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.763 -16.533 -4.534 1.00 0.00 H new ATOM 354 N GLU A 24 -4.346 -14.732 -2.270 1.00 0.00 N ATOM 355 CA GLU A 24 -5.644 -14.299 -1.809 1.00 0.00 C ATOM 356 C GLU A 24 -5.456 -13.276 -0.692 1.00 0.00 C ATOM 357 O GLU A 24 -6.165 -12.265 -0.618 1.00 0.00 O ATOM 358 CB GLU A 24 -6.430 -15.493 -1.296 1.00 0.00 C ATOM 359 CG GLU A 24 -7.885 -15.216 -1.042 1.00 0.00 C ATOM 360 CD GLU A 24 -8.657 -14.982 -2.314 1.00 0.00 C ATOM 361 OE1 GLU A 24 -9.285 -15.929 -2.819 1.00 0.00 O ATOM 362 OE2 GLU A 24 -8.633 -13.855 -2.849 1.00 0.00 O ATOM 0 H GLU A 24 -4.124 -15.704 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.197 -13.844 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.348 -16.304 -2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.972 -15.843 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.323 -16.057 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.978 -14.342 -0.398 1.00 0.00 H new ATOM 369 N ARG A 25 -4.466 -13.527 0.144 1.00 0.00 N ATOM 370 CA ARG A 25 -4.132 -12.625 1.228 1.00 0.00 C ATOM 371 C ARG A 25 -3.473 -11.363 0.685 1.00 0.00 C ATOM 372 O ARG A 25 -3.668 -10.267 1.223 1.00 0.00 O ATOM 373 CB ARG A 25 -3.241 -13.306 2.257 1.00 0.00 C ATOM 374 CG ARG A 25 -3.898 -14.489 2.943 1.00 0.00 C ATOM 375 CD ARG A 25 -2.959 -15.148 3.929 1.00 0.00 C ATOM 376 NE ARG A 25 -3.576 -16.293 4.591 1.00 0.00 N ATOM 377 CZ ARG A 25 -2.905 -17.302 5.161 1.00 0.00 C ATOM 378 NH1 ARG A 25 -1.582 -17.299 5.180 1.00 0.00 N ATOM 379 NH2 ARG A 25 -3.564 -18.311 5.706 1.00 0.00 N ATOM 0 H ARG A 25 -3.875 -14.356 0.091 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.057 -12.341 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.327 -13.642 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.948 -12.576 3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.798 -14.157 3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.212 -15.217 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.057 -15.472 3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.650 -14.419 4.678 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.595 -16.327 4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.068 -16.525 4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.076 -18.070 5.616 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.584 -18.321 5.692 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.052 -19.079 6.140 1.00 0.00 H new ATOM 393 N GLN A 26 -2.721 -11.517 -0.405 1.00 0.00 N ATOM 394 CA GLN A 26 -2.087 -10.391 -1.073 1.00 0.00 C ATOM 395 C GLN A 26 -3.152 -9.453 -1.585 1.00 0.00 C ATOM 396 O GLN A 26 -3.064 -8.268 -1.378 1.00 0.00 O ATOM 397 CB GLN A 26 -1.199 -10.848 -2.238 1.00 0.00 C ATOM 398 CG GLN A 26 -0.511 -9.704 -2.975 1.00 0.00 C ATOM 399 CD GLN A 26 0.288 -10.167 -4.172 1.00 0.00 C ATOM 400 OE1 GLN A 26 0.812 -11.281 -4.199 1.00 0.00 O ATOM 401 NE2 GLN A 26 0.375 -9.334 -5.175 1.00 0.00 N ATOM 0 H GLN A 26 -2.538 -12.420 -0.843 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.450 -9.882 -0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.440 -11.531 -1.857 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.807 -11.410 -2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.263 -8.986 -3.303 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.150 -9.180 -2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.072 -8.419 -5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.890 -9.599 -6.015 1.00 0.00 H new ATOM 410 N ARG A 27 -4.184 -10.019 -2.216 1.00 0.00 N ATOM 411 CA ARG A 27 -5.325 -9.259 -2.765 1.00 0.00 C ATOM 412 C ARG A 27 -5.970 -8.370 -1.703 1.00 0.00 C ATOM 413 O ARG A 27 -6.415 -7.263 -1.997 1.00 0.00 O ATOM 414 CB ARG A 27 -6.379 -10.214 -3.324 1.00 0.00 C ATOM 415 CG ARG A 27 -5.918 -11.039 -4.504 1.00 0.00 C ATOM 416 CD ARG A 27 -6.966 -12.055 -4.903 1.00 0.00 C ATOM 417 NE ARG A 27 -6.503 -12.924 -5.987 1.00 0.00 N ATOM 418 CZ ARG A 27 -6.903 -14.187 -6.186 1.00 0.00 C ATOM 419 NH1 ARG A 27 -7.718 -14.779 -5.320 1.00 0.00 N ATOM 420 NH2 ARG A 27 -6.465 -14.860 -7.242 1.00 0.00 N ATOM 0 H ARG A 27 -4.258 -11.025 -2.365 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.939 -8.624 -3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.698 -10.888 -2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.253 -9.635 -3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.703 -10.383 -5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.989 -11.550 -4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.229 -12.664 -4.038 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.873 -11.537 -5.216 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.823 -12.537 -6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.043 -14.272 -4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.018 -15.741 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.825 -14.416 -7.900 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.768 -15.822 -7.396 1.00 0.00 H new ATOM 434 N ARG A 28 -6.008 -8.865 -0.476 1.00 0.00 N ATOM 435 CA ARG A 28 -6.574 -8.122 0.644 1.00 0.00 C ATOM 436 C ARG A 28 -5.717 -6.901 0.917 1.00 0.00 C ATOM 437 O ARG A 28 -6.175 -5.766 0.786 1.00 0.00 O ATOM 438 CB ARG A 28 -6.625 -8.997 1.892 1.00 0.00 C ATOM 439 CG ARG A 28 -7.409 -10.272 1.714 1.00 0.00 C ATOM 440 CD ARG A 28 -7.310 -11.154 2.938 1.00 0.00 C ATOM 441 NE ARG A 28 -7.966 -12.438 2.716 1.00 0.00 N ATOM 442 CZ ARG A 28 -7.763 -13.543 3.437 1.00 0.00 C ATOM 443 NH1 ARG A 28 -6.930 -13.532 4.466 1.00 0.00 N ATOM 444 NH2 ARG A 28 -8.405 -14.648 3.130 1.00 0.00 N ATOM 0 H ARG A 28 -5.650 -9.787 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.589 -7.815 0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.607 -9.247 2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.064 -8.423 2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.455 -10.034 1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.037 -10.812 0.843 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.262 -11.316 3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.767 -10.651 3.790 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.634 -12.496 1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.437 -12.674 4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.781 -14.381 5.011 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.055 -14.659 2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.253 -15.495 3.678 1.00 0.00 H new ATOM 458 N CYS A 29 -4.455 -7.143 1.230 1.00 0.00 N ATOM 459 CA CYS A 29 -3.525 -6.079 1.517 1.00 0.00 C ATOM 460 C CYS A 29 -3.344 -5.139 0.342 1.00 0.00 C ATOM 461 O CYS A 29 -3.359 -3.952 0.518 1.00 0.00 O ATOM 462 CB CYS A 29 -2.172 -6.625 1.946 1.00 0.00 C ATOM 463 SG CYS A 29 -2.115 -7.352 3.617 1.00 0.00 S ATOM 0 H CYS A 29 -4.054 -8.079 1.290 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.958 -5.512 2.341 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.861 -7.384 1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.441 -5.818 1.894 1.00 0.00 H new ATOM 468 N GLN A 30 -3.237 -5.689 -0.856 1.00 0.00 N ATOM 469 CA GLN A 30 -2.969 -4.925 -2.070 1.00 0.00 C ATOM 470 C GLN A 30 -4.007 -3.828 -2.267 1.00 0.00 C ATOM 471 O GLN A 30 -3.656 -2.707 -2.591 1.00 0.00 O ATOM 472 CB GLN A 30 -2.925 -5.861 -3.282 1.00 0.00 C ATOM 473 CG GLN A 30 -2.341 -5.255 -4.544 1.00 0.00 C ATOM 474 CD GLN A 30 -2.271 -6.266 -5.669 1.00 0.00 C ATOM 475 OE1 GLN A 30 -1.279 -6.999 -5.809 1.00 0.00 O ATOM 476 NE2 GLN A 30 -3.292 -6.312 -6.484 1.00 0.00 N ATOM 0 H GLN A 30 -3.335 -6.691 -1.018 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.997 -4.443 -1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.342 -6.744 -3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.938 -6.200 -3.496 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.949 -4.406 -4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.342 -4.872 -4.336 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.090 -5.694 -6.337 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.291 -6.966 -7.267 1.00 0.00 H new ATOM 485 N GLN A 31 -5.268 -4.142 -1.989 1.00 0.00 N ATOM 486 CA GLN A 31 -6.338 -3.164 -2.135 1.00 0.00 C ATOM 487 C GLN A 31 -6.295 -2.131 -1.015 1.00 0.00 C ATOM 488 O GLN A 31 -6.549 -0.950 -1.241 1.00 0.00 O ATOM 489 CB GLN A 31 -7.706 -3.842 -2.211 1.00 0.00 C ATOM 490 CG GLN A 31 -7.834 -4.790 -3.393 1.00 0.00 C ATOM 491 CD GLN A 31 -7.607 -4.102 -4.727 1.00 0.00 C ATOM 492 OE1 GLN A 31 -7.915 -2.918 -4.905 1.00 0.00 O ATOM 493 NE2 GLN A 31 -7.051 -4.817 -5.663 1.00 0.00 N ATOM 0 H GLN A 31 -5.572 -5.060 -1.664 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.179 -2.640 -3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.883 -4.394 -1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.481 -3.078 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.115 -5.602 -3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.827 -5.240 -3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.809 -5.792 -5.484 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.858 -4.402 -6.575 1.00 0.00 H new ATOM 502 N VAL A 32 -5.941 -2.571 0.181 1.00 0.00 N ATOM 503 CA VAL A 32 -5.801 -1.666 1.322 1.00 0.00 C ATOM 504 C VAL A 32 -4.612 -0.725 1.086 1.00 0.00 C ATOM 505 O VAL A 32 -4.715 0.492 1.260 1.00 0.00 O ATOM 506 CB VAL A 32 -5.589 -2.449 2.653 1.00 0.00 C ATOM 507 CG1 VAL A 32 -5.459 -1.497 3.838 1.00 0.00 C ATOM 508 CG2 VAL A 32 -6.729 -3.421 2.888 1.00 0.00 C ATOM 0 H VAL A 32 -5.744 -3.549 0.392 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.723 -1.092 1.412 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.660 -3.011 2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.312 -2.072 4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.605 -0.838 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.367 -0.900 3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.563 -3.958 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.669 -2.872 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.776 -4.133 2.064 1.00 0.00 H new ATOM 518 N CYS A 33 -3.504 -1.299 0.655 1.00 0.00 N ATOM 519 CA CYS A 33 -2.292 -0.556 0.369 1.00 0.00 C ATOM 520 C CYS A 33 -2.537 0.426 -0.779 1.00 0.00 C ATOM 521 O CYS A 33 -2.108 1.555 -0.713 1.00 0.00 O ATOM 522 CB CYS A 33 -1.126 -1.505 0.016 1.00 0.00 C ATOM 523 SG CYS A 33 -0.772 -2.823 1.253 1.00 0.00 S ATOM 0 H CYS A 33 -3.420 -2.302 0.492 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.016 0.000 1.265 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.344 -1.979 -0.941 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.224 -0.908 -0.121 1.00 0.00 H new ATOM 528 N GLU A 34 -3.256 -0.024 -1.816 1.00 0.00 N ATOM 529 CA GLU A 34 -3.611 0.812 -2.974 1.00 0.00 C ATOM 530 C GLU A 34 -4.510 1.970 -2.532 1.00 0.00 C ATOM 531 O GLU A 34 -4.338 3.111 -2.972 1.00 0.00 O ATOM 532 CB GLU A 34 -4.319 -0.056 -4.030 1.00 0.00 C ATOM 533 CG GLU A 34 -4.799 0.661 -5.288 1.00 0.00 C ATOM 534 CD GLU A 34 -3.699 1.294 -6.106 1.00 0.00 C ATOM 535 OE1 GLU A 34 -3.795 2.506 -6.423 1.00 0.00 O ATOM 536 OE2 GLU A 34 -2.756 0.596 -6.499 1.00 0.00 O ATOM 0 H GLU A 34 -3.609 -0.979 -1.877 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.706 1.234 -3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.638 -0.852 -4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.179 -0.533 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.336 -0.051 -5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.512 1.434 -5.001 1.00 0.00 H new ATOM 543 N LYS A 35 -5.441 1.678 -1.638 1.00 0.00 N ATOM 544 CA LYS A 35 -6.345 2.689 -1.122 1.00 0.00 C ATOM 545 C LYS A 35 -5.563 3.743 -0.336 1.00 0.00 C ATOM 546 O LYS A 35 -5.764 4.948 -0.519 1.00 0.00 O ATOM 547 CB LYS A 35 -7.424 2.053 -0.236 1.00 0.00 C ATOM 548 CG LYS A 35 -8.511 3.026 0.211 1.00 0.00 C ATOM 549 CD LYS A 35 -9.556 2.412 1.161 1.00 0.00 C ATOM 550 CE LYS A 35 -10.454 1.315 0.534 1.00 0.00 C ATOM 551 NZ LYS A 35 -9.752 0.034 0.258 1.00 0.00 N ATOM 0 H LYS A 35 -5.589 0.745 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.839 3.173 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.888 1.230 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.949 1.624 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.041 3.876 0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.021 3.413 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.037 1.987 2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.195 3.211 1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.291 1.120 1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.874 1.694 -0.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.369 -0.763 0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.517 -0.022 -0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.877 -0.011 0.819 1.00 0.00 H new ATOM 565 N ARG A 36 -4.644 3.284 0.501 1.00 0.00 N ATOM 566 CA ARG A 36 -3.829 4.184 1.304 1.00 0.00 C ATOM 567 C ARG A 36 -2.785 4.888 0.468 1.00 0.00 C ATOM 568 O ARG A 36 -2.361 5.980 0.804 1.00 0.00 O ATOM 569 CB ARG A 36 -3.171 3.476 2.470 1.00 0.00 C ATOM 570 CG ARG A 36 -4.151 2.905 3.463 1.00 0.00 C ATOM 571 CD ARG A 36 -3.442 2.450 4.712 1.00 0.00 C ATOM 572 NE ARG A 36 -2.776 3.568 5.403 1.00 0.00 N ATOM 573 CZ ARG A 36 -1.891 3.427 6.397 1.00 0.00 C ATOM 574 NH1 ARG A 36 -1.559 2.209 6.820 1.00 0.00 N ATOM 575 NH2 ARG A 36 -1.336 4.497 6.967 1.00 0.00 N ATOM 0 H ARG A 36 -4.444 2.294 0.642 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.511 4.932 1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.544 2.671 2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.513 4.176 2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.898 3.657 3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.683 2.066 3.015 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.159 1.982 5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.704 1.691 4.454 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.005 4.515 5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.979 1.387 6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.885 2.098 7.577 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.585 5.433 6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.662 4.380 7.724 1.00 0.00 H new ATOM 589 N LEU A 37 -2.367 4.243 -0.610 1.00 0.00 N ATOM 590 CA LEU A 37 -1.435 4.819 -1.578 1.00 0.00 C ATOM 591 C LEU A 37 -2.100 6.075 -2.107 1.00 0.00 C ATOM 592 O LEU A 37 -1.537 7.172 -2.061 1.00 0.00 O ATOM 593 CB LEU A 37 -1.248 3.807 -2.745 1.00 0.00 C ATOM 594 CG LEU A 37 -0.052 3.953 -3.721 1.00 0.00 C ATOM 595 CD1 LEU A 37 -0.175 2.947 -4.835 1.00 0.00 C ATOM 596 CD2 LEU A 37 0.062 5.316 -4.317 1.00 0.00 C ATOM 0 H LEU A 37 -2.666 3.296 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.464 5.039 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.185 2.813 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.158 3.833 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 37 0.847 3.778 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.668 3.055 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.178 1.940 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.105 3.117 -5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.919 5.348 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.846 5.546 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.196 6.050 -3.523 1.00 0.00 H new ATOM 608 N ARG A 38 -3.337 5.892 -2.524 1.00 0.00 N ATOM 609 CA ARG A 38 -4.154 6.919 -3.106 1.00 0.00 C ATOM 610 C ARG A 38 -4.390 8.053 -2.091 1.00 0.00 C ATOM 611 O ARG A 38 -4.408 9.234 -2.453 1.00 0.00 O ATOM 612 CB ARG A 38 -5.471 6.283 -3.550 1.00 0.00 C ATOM 613 CG ARG A 38 -6.265 7.069 -4.573 1.00 0.00 C ATOM 614 CD ARG A 38 -5.444 7.299 -5.838 1.00 0.00 C ATOM 615 NE ARG A 38 -4.802 6.058 -6.319 1.00 0.00 N ATOM 616 CZ ARG A 38 -3.781 6.017 -7.188 1.00 0.00 C ATOM 617 NH1 ARG A 38 -3.475 7.087 -7.907 1.00 0.00 N ATOM 618 NH2 ARG A 38 -3.115 4.889 -7.383 1.00 0.00 N ATOM 0 H ARG A 38 -3.810 4.991 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.656 7.360 -3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.257 5.297 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.096 6.132 -2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.180 6.531 -4.821 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.564 8.028 -4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.089 7.699 -6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.678 8.050 -5.641 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.160 5.171 -5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.016 7.945 -7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.698 7.053 -8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.378 4.047 -6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.339 4.863 -8.045 1.00 0.00 H new ATOM 632 N GLU A 39 -4.539 7.683 -0.820 1.00 0.00 N ATOM 633 CA GLU A 39 -4.686 8.653 0.263 1.00 0.00 C ATOM 634 C GLU A 39 -3.387 9.423 0.469 1.00 0.00 C ATOM 635 O GLU A 39 -3.378 10.646 0.566 1.00 0.00 O ATOM 636 CB GLU A 39 -5.042 7.968 1.588 1.00 0.00 C ATOM 637 CG GLU A 39 -6.380 7.261 1.632 1.00 0.00 C ATOM 638 CD GLU A 39 -6.688 6.755 3.019 1.00 0.00 C ATOM 639 OE1 GLU A 39 -6.319 5.611 3.362 1.00 0.00 O ATOM 640 OE2 GLU A 39 -7.276 7.507 3.816 1.00 0.00 O ATOM 0 H GLU A 39 -4.561 6.710 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.491 9.329 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.262 7.242 1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.024 8.718 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.165 7.944 1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.376 6.426 0.931 1.00 0.00 H new ATOM 647 N ARG A 40 -2.295 8.692 0.520 1.00 0.00 N ATOM 648 CA ARG A 40 -0.981 9.247 0.794 1.00 0.00 C ATOM 649 C ARG A 40 -0.530 10.184 -0.331 1.00 0.00 C ATOM 650 O ARG A 40 0.081 11.225 -0.068 1.00 0.00 O ATOM 651 CB ARG A 40 0.032 8.115 1.020 1.00 0.00 C ATOM 652 CG ARG A 40 1.390 8.546 1.566 1.00 0.00 C ATOM 653 CD ARG A 40 1.262 9.222 2.927 1.00 0.00 C ATOM 654 NE ARG A 40 2.569 9.422 3.558 1.00 0.00 N ATOM 655 CZ ARG A 40 2.854 10.326 4.514 1.00 0.00 C ATOM 656 NH1 ARG A 40 1.955 11.232 4.878 1.00 0.00 N ATOM 657 NH2 ARG A 40 4.051 10.324 5.087 1.00 0.00 N ATOM 0 H ARG A 40 -2.291 7.683 0.371 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.039 9.843 1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.405 7.393 1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.188 7.597 0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.041 7.676 1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.864 9.231 0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.763 10.184 2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.633 8.614 3.577 1.00 0.00 H new ATOM 0 HE ARG A 40 3.332 8.822 3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.038 11.248 4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.181 11.912 5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.751 9.639 4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.271 11.007 5.812 1.00 0.00 H new ATOM 671 N GLU A 41 -0.836 9.831 -1.577 1.00 0.00 N ATOM 672 CA GLU A 41 -0.507 10.713 -2.684 1.00 0.00 C ATOM 673 C GLU A 41 -1.546 11.807 -2.826 1.00 0.00 C ATOM 674 O GLU A 41 -1.309 12.809 -3.472 1.00 0.00 O ATOM 675 CB GLU A 41 -0.290 9.988 -4.023 1.00 0.00 C ATOM 676 CG GLU A 41 -1.478 9.222 -4.565 1.00 0.00 C ATOM 677 CD GLU A 41 -1.246 8.803 -5.994 1.00 0.00 C ATOM 678 OE1 GLU A 41 -0.525 7.830 -6.242 1.00 0.00 O ATOM 679 OE2 GLU A 41 -1.760 9.476 -6.910 1.00 0.00 O ATOM 0 H GLU A 41 -1.300 8.961 -1.838 1.00 0.00 H new ATOM 0 HA GLU A 41 0.455 11.158 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.012 10.725 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.542 9.294 -3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.659 8.341 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.373 9.842 -4.505 1.00 0.00 H new ATOM 686 N GLY A 42 -2.704 11.595 -2.238 1.00 0.00 N ATOM 687 CA GLY A 42 -3.733 12.610 -2.240 1.00 0.00 C ATOM 688 C GLY A 42 -3.374 13.723 -1.288 1.00 0.00 C ATOM 689 O GLY A 42 -3.650 14.886 -1.539 1.00 0.00 O ATOM 0 H GLY A 42 -2.955 10.733 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.857 13.009 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.688 12.170 -1.952 1.00 0.00 H new ATOM 693 N ARG A 43 -2.718 13.346 -0.208 1.00 0.00 N ATOM 694 CA ARG A 43 -2.272 14.267 0.826 1.00 0.00 C ATOM 695 C ARG A 43 -0.901 14.886 0.528 1.00 0.00 C ATOM 696 O ARG A 43 -0.387 15.700 1.306 1.00 0.00 O ATOM 697 CB ARG A 43 -2.288 13.601 2.202 1.00 0.00 C ATOM 698 CG ARG A 43 -3.678 13.449 2.795 1.00 0.00 C ATOM 699 CD ARG A 43 -3.647 12.711 4.128 1.00 0.00 C ATOM 700 NE ARG A 43 -3.479 11.252 3.972 1.00 0.00 N ATOM 701 CZ ARG A 43 -2.627 10.486 4.680 1.00 0.00 C ATOM 702 NH1 ARG A 43 -1.651 11.046 5.393 1.00 0.00 N ATOM 703 NH2 ARG A 43 -2.730 9.153 4.638 1.00 0.00 N ATOM 0 H ARG A 43 -2.474 12.374 -0.019 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.986 15.090 0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.827 12.616 2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.674 14.187 2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.123 14.434 2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.315 12.908 2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.831 13.103 4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.572 12.910 4.669 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.055 10.786 3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.546 12.060 5.405 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.009 10.460 5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.455 8.715 4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.084 8.574 5.175 1.00 0.00 H new ATOM 717 N ARG A 44 -0.299 14.486 -0.564 1.00 0.00 N ATOM 718 CA ARG A 44 0.984 15.027 -0.959 1.00 0.00 C ATOM 719 C ARG A 44 0.841 15.682 -2.328 1.00 0.00 C ATOM 720 O ARG A 44 -0.026 15.297 -3.109 1.00 0.00 O ATOM 721 CB ARG A 44 2.065 13.924 -0.979 1.00 0.00 C ATOM 722 CG ARG A 44 3.439 14.429 -1.378 1.00 0.00 C ATOM 723 CD ARG A 44 4.486 13.347 -1.381 1.00 0.00 C ATOM 724 NE ARG A 44 5.740 13.843 -1.953 1.00 0.00 N ATOM 725 CZ ARG A 44 6.909 13.198 -1.951 1.00 0.00 C ATOM 726 NH1 ARG A 44 7.057 12.080 -1.261 1.00 0.00 N ATOM 727 NH2 ARG A 44 7.936 13.699 -2.619 1.00 0.00 N ATOM 0 H ARG A 44 -0.677 13.784 -1.200 1.00 0.00 H new ATOM 0 HA ARG A 44 1.303 15.775 -0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.127 13.469 0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.760 13.140 -1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.382 14.874 -2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.743 15.219 -0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.658 12.997 -0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.131 12.492 -1.956 1.00 0.00 H new ATOM 0 HE ARG A 44 5.718 14.763 -2.392 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.275 11.704 -0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.953 11.593 -1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.832 14.574 -3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.831 13.210 -2.620 1.00 0.00 H new ATOM 741 N GLU A 45 1.650 16.675 -2.609 1.00 0.00 N ATOM 742 CA GLU A 45 1.597 17.344 -3.882 1.00 0.00 C ATOM 743 C GLU A 45 2.393 16.581 -4.925 1.00 0.00 C ATOM 744 O GLU A 45 3.623 16.608 -4.924 1.00 0.00 O ATOM 745 CB GLU A 45 2.107 18.786 -3.781 1.00 0.00 C ATOM 746 CG GLU A 45 1.266 19.686 -2.892 1.00 0.00 C ATOM 747 CD GLU A 45 -0.161 19.779 -3.364 1.00 0.00 C ATOM 748 OE1 GLU A 45 -0.441 20.521 -4.328 1.00 0.00 O ATOM 749 OE2 GLU A 45 -1.032 19.116 -2.788 1.00 0.00 O ATOM 0 H GLU A 45 2.356 17.038 -1.968 1.00 0.00 H new ATOM 0 HA GLU A 45 0.552 17.375 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.129 18.772 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.145 19.216 -4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.285 19.305 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.705 20.683 -2.869 1.00 0.00 H new ATOM 756 N VAL A 46 1.692 15.848 -5.760 1.00 0.00 N ATOM 757 CA VAL A 46 2.316 15.163 -6.875 1.00 0.00 C ATOM 758 C VAL A 46 2.325 16.130 -8.050 1.00 0.00 C ATOM 759 O VAL A 46 3.304 16.239 -8.804 1.00 0.00 O ATOM 760 CB VAL A 46 1.539 13.873 -7.263 1.00 0.00 C ATOM 761 CG1 VAL A 46 2.232 13.136 -8.403 1.00 0.00 C ATOM 762 CG2 VAL A 46 1.378 12.955 -6.057 1.00 0.00 C ATOM 0 H VAL A 46 0.684 15.709 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 46 3.326 14.859 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 46 0.548 14.172 -7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.666 12.238 -8.653 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.286 13.786 -9.277 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.240 12.856 -8.096 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.832 12.059 -6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.361 12.673 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.826 13.476 -5.275 1.00 0.00 H new ATOM 772 N ASP A 47 1.235 16.850 -8.172 1.00 0.00 N ATOM 773 CA ASP A 47 1.062 17.869 -9.174 1.00 0.00 C ATOM 774 C ASP A 47 0.089 18.873 -8.640 1.00 0.00 C ATOM 775 O ASP A 47 0.496 19.994 -8.302 1.00 0.00 O ATOM 776 CB ASP A 47 0.559 17.293 -10.498 1.00 0.00 C ATOM 777 CG ASP A 47 0.383 18.354 -11.563 1.00 0.00 C ATOM 778 OD1 ASP A 47 -0.754 18.808 -11.797 1.00 0.00 O ATOM 779 OD2 ASP A 47 1.386 18.752 -12.200 1.00 0.00 O ATOM 780 OXT ASP A 47 -1.086 18.514 -8.445 1.00 0.00 O ATOM 0 H ASP A 47 0.426 16.739 -7.561 1.00 0.00 H new ATOM 0 HA ASP A 47 2.026 18.333 -9.384 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.262 16.540 -10.853 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.393 16.788 -10.332 1.00 0.00 H new TER 785 ASP A 47