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 Set 1.1: A 30 GLN : amide:sc= 0.871 K(o=1.6,f=0) USER MOD Set 1.2: A 31 GLN : amide:sc= 0.768 K(o=1.6,f=-0.73) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0685 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 9 TYR OH : rot 151:sc= 1.03 USER MOD Single : A 17 GLN : amide:sc= -1.21! K(o=-1.2!,f=0) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.567 K(o=-0.57,f=-2.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 10.475 15.148 1.949 1.00 0.00 N ATOM 2 CA PRO A 1 9.210 14.848 1.321 1.00 0.00 C ATOM 3 C PRO A 1 9.483 14.091 0.040 1.00 0.00 C ATOM 4 O PRO A 1 10.546 14.248 -0.548 1.00 0.00 O ATOM 5 CB PRO A 1 8.503 16.153 1.024 1.00 0.00 C ATOM 6 CG PRO A 1 9.178 17.132 1.925 1.00 0.00 C ATOM 7 CD PRO A 1 10.566 16.587 2.213 1.00 0.00 C ATOM 0 H2 PRO A 1 11.243 14.854 1.345 1.00 0.00 H new ATOM 0 H3 PRO A 1 10.565 14.626 2.821 1.00 0.00 H new ATOM 0 HA PRO A 1 8.580 14.240 1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 1 8.606 16.435 -0.024 1.00 0.00 H new ATOM 0 HB3 PRO A 1 7.435 16.087 1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 1 9.239 18.112 1.452 1.00 0.00 H new ATOM 0 HG3 PRO A 1 8.614 17.258 2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 1 11.314 17.058 1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 1 10.859 16.781 3.245 1.00 0.00 H new ATOM 17 N ARG A 2 8.567 13.245 -0.372 1.00 0.00 N ATOM 18 CA ARG A 2 8.735 12.496 -1.604 1.00 0.00 C ATOM 19 C ARG A 2 7.512 12.585 -2.460 1.00 0.00 C ATOM 20 O ARG A 2 6.391 12.586 -1.951 1.00 0.00 O ATOM 21 CB ARG A 2 9.081 11.026 -1.378 1.00 0.00 C ATOM 22 CG ARG A 2 10.448 10.777 -0.785 1.00 0.00 C ATOM 23 CD ARG A 2 10.824 9.316 -0.894 1.00 0.00 C ATOM 24 NE ARG A 2 10.866 8.876 -2.303 1.00 0.00 N ATOM 25 CZ ARG A 2 11.362 7.714 -2.737 1.00 0.00 C ATOM 26 NH1 ARG A 2 11.786 6.803 -1.877 1.00 0.00 N ATOM 27 NH2 ARG A 2 11.420 7.470 -4.041 1.00 0.00 N ATOM 0 H ARG A 2 7.697 13.056 0.125 1.00 0.00 H new ATOM 0 HA ARG A 2 9.581 12.959 -2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.330 10.588 -0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.014 10.501 -2.331 1.00 0.00 H new ATOM 0 HG2 ARG A 2 11.189 11.387 -1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.456 11.082 0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.797 9.153 -0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.104 8.711 -0.343 1.00 0.00 H new ATOM 0 HE ARG A 2 10.485 9.512 -3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.736 6.985 -0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.163 5.918 -2.216 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.087 8.168 -4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.798 6.584 -4.378 1.00 0.00 H new ATOM 41 N GLY A 3 7.729 12.660 -3.747 1.00 0.00 N ATOM 42 CA GLY A 3 6.652 12.744 -4.686 1.00 0.00 C ATOM 43 C GLY A 3 6.017 11.401 -4.933 1.00 0.00 C ATOM 44 O GLY A 3 4.826 11.317 -5.218 1.00 0.00 O ATOM 0 H GLY A 3 8.658 12.664 -4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 3 5.899 13.439 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.022 13.149 -5.628 1.00 0.00 H new ATOM 48 N SER A 4 6.796 10.349 -4.835 1.00 0.00 N ATOM 49 CA SER A 4 6.271 9.034 -5.021 1.00 0.00 C ATOM 50 C SER A 4 6.148 8.324 -3.680 1.00 0.00 C ATOM 51 O SER A 4 7.146 7.916 -3.081 1.00 0.00 O ATOM 52 CB SER A 4 7.139 8.219 -5.984 1.00 0.00 C ATOM 53 OG SER A 4 6.543 6.962 -6.275 1.00 0.00 O ATOM 0 H SER A 4 7.794 10.387 -4.627 1.00 0.00 H new ATOM 0 HA SER A 4 5.280 9.124 -5.465 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.285 8.778 -6.908 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.125 8.064 -5.546 1.00 0.00 H new ATOM 0 HG SER A 4 7.117 6.463 -6.893 1.00 0.00 H new ATOM 59 N PRO A 5 4.922 8.198 -3.160 1.00 0.00 N ATOM 60 CA PRO A 5 4.666 7.471 -1.934 1.00 0.00 C ATOM 61 C PRO A 5 4.429 5.996 -2.227 1.00 0.00 C ATOM 62 O PRO A 5 4.154 5.192 -1.332 1.00 0.00 O ATOM 63 CB PRO A 5 3.408 8.123 -1.414 1.00 0.00 C ATOM 64 CG PRO A 5 2.661 8.540 -2.630 1.00 0.00 C ATOM 65 CD PRO A 5 3.684 8.790 -3.707 1.00 0.00 C ATOM 0 HA PRO A 5 5.494 7.507 -1.226 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.824 7.428 -0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.640 8.979 -0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.959 7.765 -2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.077 9.440 -2.435 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.398 8.320 -4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.804 9.855 -3.906 1.00 0.00 H new ATOM 73 N ARG A 6 4.547 5.666 -3.502 1.00 0.00 N ATOM 74 CA ARG A 6 4.414 4.303 -4.010 1.00 0.00 C ATOM 75 C ARG A 6 5.376 3.355 -3.291 1.00 0.00 C ATOM 76 O ARG A 6 5.053 2.202 -3.044 1.00 0.00 O ATOM 77 CB ARG A 6 4.661 4.252 -5.529 1.00 0.00 C ATOM 78 CG ARG A 6 4.649 2.835 -6.085 1.00 0.00 C ATOM 79 CD ARG A 6 4.958 2.779 -7.565 1.00 0.00 C ATOM 80 NE ARG A 6 5.156 1.389 -7.995 1.00 0.00 N ATOM 81 CZ ARG A 6 4.941 0.901 -9.223 1.00 0.00 C ATOM 82 NH1 ARG A 6 4.515 1.690 -10.206 1.00 0.00 N ATOM 83 NH2 ARG A 6 5.167 -0.386 -9.470 1.00 0.00 N ATOM 0 H ARG A 6 4.742 6.351 -4.232 1.00 0.00 H new ATOM 0 HA ARG A 6 3.392 3.977 -3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.897 4.842 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.622 4.716 -5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.378 2.232 -5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.671 2.389 -5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.142 3.228 -8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.853 3.363 -7.778 1.00 0.00 H new ATOM 0 HE ARG A 6 5.490 0.732 -7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.348 2.681 -10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.355 1.304 -11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.503 -0.997 -8.725 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.005 -0.762 -10.404 1.00 0.00 H new ATOM 97 N THR A 7 6.526 3.870 -2.921 1.00 0.00 N ATOM 98 CA THR A 7 7.530 3.107 -2.224 1.00 0.00 C ATOM 99 C THR A 7 7.000 2.629 -0.855 1.00 0.00 C ATOM 100 O THR A 7 7.158 1.461 -0.476 1.00 0.00 O ATOM 101 CB THR A 7 8.787 3.973 -2.068 1.00 0.00 C ATOM 102 OG1 THR A 7 8.402 5.262 -1.563 1.00 0.00 O ATOM 103 CG2 THR A 7 9.475 4.157 -3.413 1.00 0.00 C ATOM 0 H THR A 7 6.791 4.839 -3.098 1.00 0.00 H new ATOM 0 HA THR A 7 7.781 2.215 -2.798 1.00 0.00 H new ATOM 0 HB THR A 7 9.475 3.481 -1.381 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.198 5.823 -1.458 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.365 4.774 -3.285 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.762 3.184 -3.811 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.792 4.646 -4.107 1.00 0.00 H new ATOM 111 N GLU A 8 6.313 3.527 -0.165 1.00 0.00 N ATOM 112 CA GLU A 8 5.700 3.241 1.123 1.00 0.00 C ATOM 113 C GLU A 8 4.545 2.276 0.931 1.00 0.00 C ATOM 114 O GLU A 8 4.334 1.352 1.725 1.00 0.00 O ATOM 115 CB GLU A 8 5.171 4.533 1.730 1.00 0.00 C ATOM 116 CG GLU A 8 6.236 5.587 1.973 1.00 0.00 C ATOM 117 CD GLU A 8 7.284 5.126 2.949 1.00 0.00 C ATOM 118 OE1 GLU A 8 8.376 4.715 2.527 1.00 0.00 O ATOM 119 OE2 GLU A 8 7.027 5.161 4.170 1.00 0.00 O ATOM 0 H GLU A 8 6.164 4.483 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 8 6.443 2.798 1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.410 4.947 1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.681 4.303 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.712 5.844 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.766 6.495 2.350 1.00 0.00 H new ATOM 126 N TYR A 9 3.828 2.486 -0.146 1.00 0.00 N ATOM 127 CA TYR A 9 2.704 1.683 -0.514 1.00 0.00 C ATOM 128 C TYR A 9 3.121 0.236 -0.811 1.00 0.00 C ATOM 129 O TYR A 9 2.486 -0.716 -0.334 1.00 0.00 O ATOM 130 CB TYR A 9 1.997 2.357 -1.702 1.00 0.00 C ATOM 131 CG TYR A 9 1.254 1.434 -2.604 1.00 0.00 C ATOM 132 CD1 TYR A 9 -0.035 1.037 -2.341 1.00 0.00 C ATOM 133 CD2 TYR A 9 1.881 0.942 -3.717 1.00 0.00 C ATOM 134 CE1 TYR A 9 -0.680 0.154 -3.181 1.00 0.00 C ATOM 135 CE2 TYR A 9 1.260 0.074 -4.563 1.00 0.00 C ATOM 136 CZ TYR A 9 -0.024 -0.323 -4.293 1.00 0.00 C ATOM 137 OH TYR A 9 -0.647 -1.216 -5.124 1.00 0.00 O ATOM 0 H TYR A 9 4.021 3.242 -0.803 1.00 0.00 H new ATOM 0 HA TYR A 9 2.002 1.616 0.317 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.300 3.101 -1.315 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.741 2.893 -2.290 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.547 1.419 -1.470 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.894 1.250 -3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.691 -0.161 -2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.774 -0.298 -5.437 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.303 -1.110 -6.035 1.00 0.00 H new ATOM 147 N GLU A 10 4.185 0.070 -1.578 1.00 0.00 N ATOM 148 CA GLU A 10 4.654 -1.252 -1.909 1.00 0.00 C ATOM 149 C GLU A 10 5.323 -1.908 -0.726 1.00 0.00 C ATOM 150 O GLU A 10 5.312 -3.116 -0.616 1.00 0.00 O ATOM 151 CB GLU A 10 5.533 -1.279 -3.157 1.00 0.00 C ATOM 152 CG GLU A 10 4.789 -0.884 -4.419 1.00 0.00 C ATOM 153 CD GLU A 10 5.593 -1.093 -5.663 1.00 0.00 C ATOM 154 OE1 GLU A 10 5.550 -2.198 -6.228 1.00 0.00 O ATOM 155 OE2 GLU A 10 6.282 -0.161 -6.109 1.00 0.00 O ATOM 0 H GLU A 10 4.733 0.832 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 10 3.773 -1.843 -2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.377 -0.604 -3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.944 -2.281 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.868 -1.463 -4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.502 0.165 -4.351 1.00 0.00 H new ATOM 162 N ALA A 11 5.863 -1.104 0.183 1.00 0.00 N ATOM 163 CA ALA A 11 6.438 -1.619 1.422 1.00 0.00 C ATOM 164 C ALA A 11 5.356 -2.351 2.220 1.00 0.00 C ATOM 165 O ALA A 11 5.593 -3.431 2.764 1.00 0.00 O ATOM 166 CB ALA A 11 7.047 -0.490 2.241 1.00 0.00 C ATOM 0 H ALA A 11 5.915 -0.090 0.085 1.00 0.00 H new ATOM 0 HA ALA A 11 7.236 -2.321 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.470 -0.895 3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.833 -0.004 1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.275 0.239 2.487 1.00 0.00 H new ATOM 172 N CYS A 12 4.152 -1.772 2.225 1.00 0.00 N ATOM 173 CA CYS A 12 2.983 -2.375 2.872 1.00 0.00 C ATOM 174 C CYS A 12 2.692 -3.730 2.224 1.00 0.00 C ATOM 175 O CYS A 12 2.482 -4.740 2.905 1.00 0.00 O ATOM 176 CB CYS A 12 1.757 -1.437 2.724 1.00 0.00 C ATOM 177 SG CYS A 12 0.204 -2.018 3.524 1.00 0.00 S ATOM 0 H CYS A 12 3.960 -0.874 1.782 1.00 0.00 H new ATOM 0 HA CYS A 12 3.186 -2.519 3.933 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.016 -0.463 3.140 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.563 -1.288 1.662 1.00 0.00 H new ATOM 182 N ARG A 13 2.768 -3.755 0.899 1.00 0.00 N ATOM 183 CA ARG A 13 2.487 -4.952 0.126 1.00 0.00 C ATOM 184 C ARG A 13 3.562 -6.022 0.319 1.00 0.00 C ATOM 185 O ARG A 13 3.247 -7.206 0.437 1.00 0.00 O ATOM 186 CB ARG A 13 2.302 -4.616 -1.350 1.00 0.00 C ATOM 187 CG ARG A 13 1.088 -3.738 -1.626 1.00 0.00 C ATOM 188 CD ARG A 13 0.898 -3.497 -3.111 1.00 0.00 C ATOM 189 NE ARG A 13 0.734 -4.748 -3.852 1.00 0.00 N ATOM 190 CZ ARG A 13 0.443 -4.843 -5.156 1.00 0.00 C ATOM 191 NH1 ARG A 13 0.077 -3.761 -5.849 1.00 0.00 N ATOM 192 NH2 ARG A 13 0.472 -6.034 -5.747 1.00 0.00 N ATOM 0 H ARG A 13 3.026 -2.946 0.334 1.00 0.00 H new ATOM 0 HA ARG A 13 1.551 -5.368 0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.196 -4.110 -1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.207 -5.543 -1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.196 -4.211 -1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.205 -2.783 -1.114 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.023 -2.866 -3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.757 -2.953 -3.503 1.00 0.00 H new ATOM 0 HE ARG A 13 0.851 -5.619 -3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.018 -2.854 -5.385 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.143 -3.842 -6.842 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.714 -6.865 -5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.252 -6.116 -6.740 1.00 0.00 H new ATOM 206 N VAL A 14 4.827 -5.610 0.366 1.00 0.00 N ATOM 207 CA VAL A 14 5.929 -6.543 0.605 1.00 0.00 C ATOM 208 C VAL A 14 5.789 -7.166 1.994 1.00 0.00 C ATOM 209 O VAL A 14 6.021 -8.369 2.171 1.00 0.00 O ATOM 210 CB VAL A 14 7.332 -5.877 0.433 1.00 0.00 C ATOM 211 CG1 VAL A 14 8.449 -6.877 0.711 1.00 0.00 C ATOM 212 CG2 VAL A 14 7.491 -5.325 -0.974 1.00 0.00 C ATOM 0 H VAL A 14 5.115 -4.639 0.242 1.00 0.00 H new ATOM 0 HA VAL A 14 5.865 -7.325 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 14 7.401 -5.061 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.415 -6.388 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.361 -7.247 1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.371 -7.712 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.474 -4.865 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.394 -6.136 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.720 -4.578 -1.161 1.00 0.00 H new ATOM 222 N ARG A 15 5.351 -6.356 2.965 1.00 0.00 N ATOM 223 CA ARG A 15 5.078 -6.859 4.306 1.00 0.00 C ATOM 224 C ARG A 15 4.025 -7.944 4.255 1.00 0.00 C ATOM 225 O ARG A 15 4.179 -8.989 4.857 1.00 0.00 O ATOM 226 CB ARG A 15 4.637 -5.749 5.266 1.00 0.00 C ATOM 227 CG ARG A 15 5.734 -4.773 5.661 1.00 0.00 C ATOM 228 CD ARG A 15 6.886 -5.486 6.355 1.00 0.00 C ATOM 229 NE ARG A 15 6.435 -6.281 7.513 1.00 0.00 N ATOM 230 CZ ARG A 15 7.097 -7.336 8.027 1.00 0.00 C ATOM 231 NH1 ARG A 15 8.283 -7.699 7.531 1.00 0.00 N ATOM 232 NH2 ARG A 15 6.578 -8.015 9.040 1.00 0.00 N ATOM 0 H ARG A 15 5.181 -5.358 2.844 1.00 0.00 H new ATOM 0 HA ARG A 15 6.011 -7.272 4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.823 -5.191 4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.236 -6.208 6.170 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.103 -4.259 4.773 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.324 -4.010 6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.389 -6.139 5.642 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.620 -4.751 6.685 1.00 0.00 H new ATOM 0 HE ARG A 15 5.557 -6.012 7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.694 -7.176 6.757 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.778 -8.499 7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.677 -7.739 9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.079 -8.814 9.429 1.00 0.00 H new ATOM 246 N CYS A 16 2.990 -7.714 3.491 1.00 0.00 N ATOM 247 CA CYS A 16 1.928 -8.685 3.342 1.00 0.00 C ATOM 248 C CYS A 16 2.402 -9.959 2.650 1.00 0.00 C ATOM 249 O CYS A 16 1.950 -11.052 2.978 1.00 0.00 O ATOM 250 CB CYS A 16 0.752 -8.081 2.610 1.00 0.00 C ATOM 251 SG CYS A 16 -0.044 -6.731 3.520 1.00 0.00 S ATOM 0 H CYS A 16 2.856 -6.856 2.956 1.00 0.00 H new ATOM 0 HA CYS A 16 1.608 -8.968 4.345 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.088 -7.709 1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.016 -8.861 2.414 1.00 0.00 H new ATOM 256 N GLN A 17 3.326 -9.833 1.731 1.00 0.00 N ATOM 257 CA GLN A 17 3.838 -10.990 1.028 1.00 0.00 C ATOM 258 C GLN A 17 4.628 -11.908 1.951 1.00 0.00 C ATOM 259 O GLN A 17 4.566 -13.128 1.816 1.00 0.00 O ATOM 260 CB GLN A 17 4.664 -10.587 -0.182 1.00 0.00 C ATOM 261 CG GLN A 17 3.852 -9.907 -1.264 1.00 0.00 C ATOM 262 CD GLN A 17 4.688 -9.544 -2.457 1.00 0.00 C ATOM 263 OE1 GLN A 17 4.841 -10.336 -3.379 1.00 0.00 O ATOM 264 NE2 GLN A 17 5.223 -8.359 -2.467 1.00 0.00 N ATOM 0 H GLN A 17 3.741 -8.944 1.450 1.00 0.00 H new ATOM 0 HA GLN A 17 2.976 -11.552 0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.462 -9.917 0.139 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.141 -11.474 -0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.042 -10.566 -1.577 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.391 -9.007 -0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.074 -7.726 -1.681 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.792 -8.063 -3.260 1.00 0.00 H new ATOM 273 N VAL A 18 5.334 -11.332 2.903 1.00 0.00 N ATOM 274 CA VAL A 18 6.115 -12.134 3.828 1.00 0.00 C ATOM 275 C VAL A 18 5.317 -12.508 5.104 1.00 0.00 C ATOM 276 O VAL A 18 5.353 -13.662 5.546 1.00 0.00 O ATOM 277 CB VAL A 18 7.502 -11.478 4.175 1.00 0.00 C ATOM 278 CG1 VAL A 18 7.352 -10.109 4.829 1.00 0.00 C ATOM 279 CG2 VAL A 18 8.352 -12.404 5.038 1.00 0.00 C ATOM 0 H VAL A 18 5.385 -10.325 3.057 1.00 0.00 H new ATOM 0 HA VAL A 18 6.334 -13.066 3.308 1.00 0.00 H new ATOM 0 HB VAL A 18 8.019 -11.323 3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.338 -9.700 5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.824 -9.438 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.787 -10.208 5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.304 -11.922 5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.827 -12.617 5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.534 -13.336 4.502 1.00 0.00 H new ATOM 289 N ALA A 19 4.574 -11.560 5.653 1.00 0.00 N ATOM 290 CA ALA A 19 3.832 -11.778 6.893 1.00 0.00 C ATOM 291 C ALA A 19 2.547 -12.558 6.662 1.00 0.00 C ATOM 292 O ALA A 19 2.322 -13.598 7.291 1.00 0.00 O ATOM 293 CB ALA A 19 3.541 -10.455 7.578 1.00 0.00 C ATOM 0 H ALA A 19 4.466 -10.625 5.259 1.00 0.00 H new ATOM 0 HA ALA A 19 4.461 -12.382 7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.988 -10.636 8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.479 -9.952 7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.946 -9.826 6.916 1.00 0.00 H new ATOM 299 N GLU A 20 1.714 -12.072 5.764 1.00 0.00 N ATOM 300 CA GLU A 20 0.453 -12.726 5.465 1.00 0.00 C ATOM 301 C GLU A 20 0.740 -14.001 4.697 1.00 0.00 C ATOM 302 O GLU A 20 0.369 -15.094 5.126 1.00 0.00 O ATOM 303 CB GLU A 20 -0.454 -11.805 4.636 1.00 0.00 C ATOM 304 CG GLU A 20 -0.784 -10.474 5.299 1.00 0.00 C ATOM 305 CD GLU A 20 -1.646 -10.630 6.524 1.00 0.00 C ATOM 306 OE1 GLU A 20 -1.116 -10.904 7.627 1.00 0.00 O ATOM 307 OE2 GLU A 20 -2.873 -10.473 6.415 1.00 0.00 O ATOM 0 H GLU A 20 1.887 -11.223 5.226 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.065 -12.958 6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.028 -11.609 3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.385 -12.330 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.143 -9.971 5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.294 -9.832 4.581 1.00 0.00 H new ATOM 314 N HIS A 21 1.448 -13.832 3.590 1.00 0.00 N ATOM 315 CA HIS A 21 1.874 -14.910 2.702 1.00 0.00 C ATOM 316 C HIS A 21 0.692 -15.757 2.203 1.00 0.00 C ATOM 317 O HIS A 21 0.328 -16.791 2.799 1.00 0.00 O ATOM 318 CB HIS A 21 2.982 -15.777 3.338 1.00 0.00 C ATOM 319 CG HIS A 21 3.578 -16.798 2.408 1.00 0.00 C ATOM 320 ND1 HIS A 21 3.183 -18.114 2.352 1.00 0.00 N ATOM 321 CD2 HIS A 21 4.562 -16.666 1.494 1.00 0.00 C ATOM 322 CE1 HIS A 21 3.919 -18.731 1.431 1.00 0.00 C ATOM 323 NE2 HIS A 21 4.778 -17.895 0.874 1.00 0.00 N ATOM 0 H HIS A 21 1.753 -12.912 3.273 1.00 0.00 H new ATOM 0 HA HIS A 21 2.308 -14.436 1.822 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.776 -15.124 3.699 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.572 -16.290 4.208 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.097 -15.753 1.278 1.00 0.00 H new ATOM 0 HE1 HIS A 21 3.827 -19.776 1.173 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.457 -18.106 0.143 1.00 0.00 H new ATOM 331 N GLY A 22 0.088 -15.297 1.147 1.00 0.00 N ATOM 332 CA GLY A 22 -1.032 -15.976 0.574 1.00 0.00 C ATOM 333 C GLY A 22 -1.590 -15.180 -0.558 1.00 0.00 C ATOM 334 O GLY A 22 -1.613 -13.962 -0.473 1.00 0.00 O ATOM 0 H GLY A 22 0.359 -14.442 0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.728 -16.961 0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.799 -16.132 1.332 1.00 0.00 H new ATOM 338 N VAL A 23 -2.045 -15.857 -1.602 1.00 0.00 N ATOM 339 CA VAL A 23 -2.538 -15.211 -2.834 1.00 0.00 C ATOM 340 C VAL A 23 -3.671 -14.230 -2.548 1.00 0.00 C ATOM 341 O VAL A 23 -3.650 -13.075 -3.027 1.00 0.00 O ATOM 342 CB VAL A 23 -3.021 -16.260 -3.872 1.00 0.00 C ATOM 343 CG1 VAL A 23 -3.475 -15.594 -5.164 1.00 0.00 C ATOM 344 CG2 VAL A 23 -1.933 -17.273 -4.156 1.00 0.00 C ATOM 0 H VAL A 23 -2.087 -16.876 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.694 -14.660 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.877 -16.779 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.807 -16.356 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.299 -14.912 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.645 -15.036 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.293 -17.998 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.056 -16.763 -4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.666 -17.788 -3.233 1.00 0.00 H new ATOM 354 N GLU A 24 -4.627 -14.668 -1.751 1.00 0.00 N ATOM 355 CA GLU A 24 -5.765 -13.856 -1.397 1.00 0.00 C ATOM 356 C GLU A 24 -5.318 -12.645 -0.608 1.00 0.00 C ATOM 357 O GLU A 24 -5.709 -11.527 -0.915 1.00 0.00 O ATOM 358 CB GLU A 24 -6.811 -14.670 -0.622 1.00 0.00 C ATOM 359 CG GLU A 24 -8.037 -13.872 -0.236 1.00 0.00 C ATOM 360 CD GLU A 24 -9.105 -14.708 0.409 1.00 0.00 C ATOM 361 OE1 GLU A 24 -9.065 -14.916 1.640 1.00 0.00 O ATOM 362 OE2 GLU A 24 -10.034 -15.137 -0.308 1.00 0.00 O ATOM 0 H GLU A 24 -4.632 -15.598 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.240 -13.511 -2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.119 -15.522 -1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.350 -15.072 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.744 -13.076 0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.446 -13.393 -1.125 1.00 0.00 H new ATOM 369 N ARG A 25 -4.449 -12.852 0.366 1.00 0.00 N ATOM 370 CA ARG A 25 -3.960 -11.747 1.163 1.00 0.00 C ATOM 371 C ARG A 25 -3.016 -10.822 0.390 1.00 0.00 C ATOM 372 O ARG A 25 -2.837 -9.657 0.756 1.00 0.00 O ATOM 373 CB ARG A 25 -3.424 -12.181 2.525 1.00 0.00 C ATOM 374 CG ARG A 25 -4.532 -12.727 3.413 1.00 0.00 C ATOM 375 CD ARG A 25 -4.091 -12.960 4.844 1.00 0.00 C ATOM 376 NE ARG A 25 -5.217 -13.423 5.667 1.00 0.00 N ATOM 377 CZ ARG A 25 -5.661 -12.840 6.799 1.00 0.00 C ATOM 378 NH1 ARG A 25 -5.050 -11.762 7.305 1.00 0.00 N ATOM 379 NH2 ARG A 25 -6.722 -13.340 7.418 1.00 0.00 N ATOM 0 H ARG A 25 -4.072 -13.765 0.620 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.832 -11.133 1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.657 -12.943 2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.947 -11.333 3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.370 -12.030 3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.895 -13.666 2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.290 -13.699 4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.686 -12.037 5.260 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.707 -14.261 5.354 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.235 -11.369 6.833 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.399 -11.333 8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.195 -14.159 7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.065 -12.905 8.275 1.00 0.00 H new ATOM 393 N GLN A 26 -2.437 -11.332 -0.689 1.00 0.00 N ATOM 394 CA GLN A 26 -1.676 -10.498 -1.614 1.00 0.00 C ATOM 395 C GLN A 26 -2.638 -9.543 -2.300 1.00 0.00 C ATOM 396 O GLN A 26 -2.373 -8.345 -2.403 1.00 0.00 O ATOM 397 CB GLN A 26 -0.954 -11.336 -2.677 1.00 0.00 C ATOM 398 CG GLN A 26 0.182 -12.197 -2.160 1.00 0.00 C ATOM 399 CD GLN A 26 0.772 -13.081 -3.243 1.00 0.00 C ATOM 400 OE1 GLN A 26 0.080 -13.497 -4.183 1.00 0.00 O ATOM 401 NE2 GLN A 26 2.031 -13.377 -3.132 1.00 0.00 N ATOM 0 H GLN A 26 -2.479 -12.318 -0.946 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.918 -9.956 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.684 -11.981 -3.165 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.561 -10.665 -3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.963 -11.557 -1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.180 -12.820 -1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.572 -13.018 -2.345 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.479 -13.969 -3.831 1.00 0.00 H new ATOM 410 N ARG A 27 -3.786 -10.081 -2.720 1.00 0.00 N ATOM 411 CA ARG A 27 -4.819 -9.296 -3.383 1.00 0.00 C ATOM 412 C ARG A 27 -5.450 -8.331 -2.379 1.00 0.00 C ATOM 413 O ARG A 27 -5.767 -7.194 -2.717 1.00 0.00 O ATOM 414 CB ARG A 27 -5.878 -10.217 -4.004 1.00 0.00 C ATOM 415 CG ARG A 27 -6.941 -9.494 -4.828 1.00 0.00 C ATOM 416 CD ARG A 27 -7.958 -10.470 -5.411 1.00 0.00 C ATOM 417 NE ARG A 27 -8.669 -11.226 -4.365 1.00 0.00 N ATOM 418 CZ ARG A 27 -9.405 -12.328 -4.570 1.00 0.00 C ATOM 419 NH1 ARG A 27 -9.568 -12.817 -5.803 1.00 0.00 N ATOM 420 NH2 ARG A 27 -9.984 -12.929 -3.540 1.00 0.00 N ATOM 0 H ARG A 27 -4.020 -11.067 -2.609 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.370 -8.717 -4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.378 -10.948 -4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.371 -10.773 -3.206 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.454 -8.764 -4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.462 -8.941 -5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.681 -9.921 -6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.449 -11.166 -6.078 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.595 -10.883 -3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.131 -12.351 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.130 -13.656 -5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.868 -12.553 -2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.545 -13.768 -3.688 1.00 0.00 H new ATOM 434 N ARG A 28 -5.606 -8.807 -1.141 1.00 0.00 N ATOM 435 CA ARG A 28 -6.080 -7.989 -0.025 1.00 0.00 C ATOM 436 C ARG A 28 -5.234 -6.749 0.105 1.00 0.00 C ATOM 437 O ARG A 28 -5.720 -5.654 -0.054 1.00 0.00 O ATOM 438 CB ARG A 28 -6.019 -8.769 1.289 1.00 0.00 C ATOM 439 CG ARG A 28 -7.065 -9.855 1.438 1.00 0.00 C ATOM 440 CD ARG A 28 -8.422 -9.253 1.717 1.00 0.00 C ATOM 441 NE ARG A 28 -8.412 -8.517 2.987 1.00 0.00 N ATOM 442 CZ ARG A 28 -9.290 -7.588 3.359 1.00 0.00 C ATOM 443 NH1 ARG A 28 -10.219 -7.160 2.513 1.00 0.00 N ATOM 444 NH2 ARG A 28 -9.196 -7.050 4.564 1.00 0.00 N ATOM 0 H ARG A 28 -5.406 -9.774 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.115 -7.714 -0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.032 -9.222 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.125 -8.067 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.107 -10.454 0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.786 -10.527 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.702 -8.582 0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.174 -10.041 1.753 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.664 -8.737 3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.264 -7.543 1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.887 -6.448 2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.455 -7.348 5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.864 -6.338 4.858 1.00 0.00 H new ATOM 458 N CYS A 29 -3.955 -6.930 0.330 1.00 0.00 N ATOM 459 CA CYS A 29 -3.050 -5.819 0.496 1.00 0.00 C ATOM 460 C CYS A 29 -2.847 -5.007 -0.783 1.00 0.00 C ATOM 461 O CYS A 29 -2.518 -3.827 -0.721 1.00 0.00 O ATOM 462 CB CYS A 29 -1.749 -6.281 1.112 1.00 0.00 C ATOM 463 SG CYS A 29 -1.935 -6.804 2.843 1.00 0.00 S ATOM 0 H CYS A 29 -3.514 -7.847 0.403 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.518 -5.123 1.192 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.350 -7.110 0.528 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.020 -5.473 1.058 1.00 0.00 H new ATOM 468 N GLN A 30 -3.094 -5.624 -1.927 1.00 0.00 N ATOM 469 CA GLN A 30 -3.049 -4.936 -3.211 1.00 0.00 C ATOM 470 C GLN A 30 -4.101 -3.823 -3.215 1.00 0.00 C ATOM 471 O GLN A 30 -3.854 -2.704 -3.679 1.00 0.00 O ATOM 472 CB GLN A 30 -3.357 -5.941 -4.323 1.00 0.00 C ATOM 473 CG GLN A 30 -3.397 -5.377 -5.727 1.00 0.00 C ATOM 474 CD GLN A 30 -3.902 -6.400 -6.717 1.00 0.00 C ATOM 475 OE1 GLN A 30 -3.131 -7.165 -7.299 1.00 0.00 O ATOM 476 NE2 GLN A 30 -5.193 -6.441 -6.905 1.00 0.00 N ATOM 0 H GLN A 30 -3.331 -6.614 -1.994 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.062 -4.504 -3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.607 -6.732 -4.290 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.320 -6.406 -4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.041 -4.498 -5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.399 -5.049 -6.018 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.802 -5.792 -6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.593 -7.122 -7.551 1.00 0.00 H new ATOM 485 N GLN A 31 -5.261 -4.143 -2.670 1.00 0.00 N ATOM 486 CA GLN A 31 -6.363 -3.209 -2.588 1.00 0.00 C ATOM 487 C GLN A 31 -6.248 -2.359 -1.311 1.00 0.00 C ATOM 488 O GLN A 31 -6.259 -1.134 -1.362 1.00 0.00 O ATOM 489 CB GLN A 31 -7.700 -3.965 -2.574 1.00 0.00 C ATOM 490 CG GLN A 31 -7.880 -4.977 -3.708 1.00 0.00 C ATOM 491 CD GLN A 31 -7.787 -4.369 -5.094 1.00 0.00 C ATOM 492 OE1 GLN A 31 -6.707 -4.299 -5.697 1.00 0.00 O ATOM 493 NE2 GLN A 31 -8.900 -3.947 -5.618 1.00 0.00 N ATOM 0 H GLN A 31 -5.463 -5.060 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.325 -2.557 -3.460 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.795 -4.487 -1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.512 -3.239 -2.622 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.122 -5.755 -3.611 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.850 -5.462 -3.599 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.771 -4.020 -5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.902 -3.543 -6.554 1.00 0.00 H new ATOM 502 N VAL A 32 -6.102 -3.028 -0.173 1.00 0.00 N ATOM 503 CA VAL A 32 -6.063 -2.383 1.142 1.00 0.00 C ATOM 504 C VAL A 32 -4.918 -1.378 1.271 1.00 0.00 C ATOM 505 O VAL A 32 -5.146 -0.248 1.677 1.00 0.00 O ATOM 506 CB VAL A 32 -6.029 -3.420 2.318 1.00 0.00 C ATOM 507 CG1 VAL A 32 -5.881 -2.729 3.672 1.00 0.00 C ATOM 508 CG2 VAL A 32 -7.297 -4.266 2.313 1.00 0.00 C ATOM 0 H VAL A 32 -6.006 -4.043 -0.133 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.996 -1.826 1.221 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.161 -4.061 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.861 -3.479 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.953 -2.158 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.724 -2.056 3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.260 -4.982 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.166 -3.619 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.373 -4.803 1.367 1.00 0.00 H new ATOM 518 N CYS A 33 -3.703 -1.755 0.881 1.00 0.00 N ATOM 519 CA CYS A 33 -2.572 -0.831 1.009 1.00 0.00 C ATOM 520 C CYS A 33 -2.726 0.346 0.054 1.00 0.00 C ATOM 521 O CYS A 33 -2.195 1.425 0.305 1.00 0.00 O ATOM 522 CB CYS A 33 -1.210 -1.529 0.827 1.00 0.00 C ATOM 523 SG CYS A 33 -0.888 -2.880 2.030 1.00 0.00 S ATOM 0 H CYS A 33 -3.476 -2.667 0.484 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.586 -0.450 2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.155 -1.936 -0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.419 -0.785 0.914 1.00 0.00 H new ATOM 528 N GLU A 34 -3.492 0.147 -1.023 1.00 0.00 N ATOM 529 CA GLU A 34 -3.794 1.216 -1.956 1.00 0.00 C ATOM 530 C GLU A 34 -4.742 2.197 -1.287 1.00 0.00 C ATOM 531 O GLU A 34 -4.537 3.415 -1.335 1.00 0.00 O ATOM 532 CB GLU A 34 -4.417 0.659 -3.242 1.00 0.00 C ATOM 533 CG GLU A 34 -4.802 1.721 -4.256 1.00 0.00 C ATOM 534 CD GLU A 34 -5.350 1.133 -5.521 1.00 0.00 C ATOM 535 OE1 GLU A 34 -6.580 1.011 -5.656 1.00 0.00 O ATOM 536 OE2 GLU A 34 -4.556 0.787 -6.425 1.00 0.00 O ATOM 0 H GLU A 34 -3.912 -0.751 -1.263 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.871 1.726 -2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.712 -0.031 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.304 0.082 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.545 2.386 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.928 2.329 -4.490 1.00 0.00 H new ATOM 543 N LYS A 35 -5.753 1.655 -0.619 1.00 0.00 N ATOM 544 CA LYS A 35 -6.712 2.466 0.111 1.00 0.00 C ATOM 545 C LYS A 35 -5.999 3.252 1.196 1.00 0.00 C ATOM 546 O LYS A 35 -6.225 4.444 1.349 1.00 0.00 O ATOM 547 CB LYS A 35 -7.819 1.611 0.733 1.00 0.00 C ATOM 548 CG LYS A 35 -8.594 0.773 -0.247 1.00 0.00 C ATOM 549 CD LYS A 35 -9.760 0.097 0.437 1.00 0.00 C ATOM 550 CE LYS A 35 -10.479 -0.818 -0.515 1.00 0.00 C ATOM 551 NZ LYS A 35 -11.702 -1.396 0.083 1.00 0.00 N ATOM 0 H LYS A 35 -5.928 0.651 -0.570 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.178 3.151 -0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.375 0.954 1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.514 2.267 1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.957 1.399 -1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.939 0.022 -0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.404 -0.472 1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.451 0.850 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.743 -0.266 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.809 -1.623 -0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.165 -2.020 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.449 -1.945 0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.354 -0.630 0.349 1.00 0.00 H new ATOM 565 N ARG A 36 -5.107 2.571 1.913 1.00 0.00 N ATOM 566 CA ARG A 36 -4.302 3.176 2.972 1.00 0.00 C ATOM 567 C ARG A 36 -3.434 4.300 2.421 1.00 0.00 C ATOM 568 O ARG A 36 -3.311 5.383 3.031 1.00 0.00 O ATOM 569 CB ARG A 36 -3.421 2.126 3.653 1.00 0.00 C ATOM 570 CG ARG A 36 -4.197 1.023 4.360 1.00 0.00 C ATOM 571 CD ARG A 36 -3.272 0.103 5.128 1.00 0.00 C ATOM 572 NE ARG A 36 -2.591 0.820 6.207 1.00 0.00 N ATOM 573 CZ ARG A 36 -1.450 0.451 6.795 1.00 0.00 C ATOM 574 NH1 ARG A 36 -0.853 -0.693 6.464 1.00 0.00 N ATOM 575 NH2 ARG A 36 -0.922 1.219 7.741 1.00 0.00 N ATOM 0 H ARG A 36 -4.921 1.578 1.774 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.987 3.593 3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.770 1.674 2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.777 2.624 4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.922 1.466 5.043 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.761 0.446 3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.843 -0.728 5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.534 -0.325 4.449 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.027 1.680 6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.267 -1.298 5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.018 -0.964 6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.388 2.084 8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.051 0.943 8.194 1.00 0.00 H new ATOM 589 N LEU A 37 -2.864 4.050 1.256 1.00 0.00 N ATOM 590 CA LEU A 37 -2.022 5.002 0.568 1.00 0.00 C ATOM 591 C LEU A 37 -2.840 6.245 0.230 1.00 0.00 C ATOM 592 O LEU A 37 -2.413 7.373 0.483 1.00 0.00 O ATOM 593 CB LEU A 37 -1.427 4.324 -0.705 1.00 0.00 C ATOM 594 CG LEU A 37 -0.374 5.078 -1.560 1.00 0.00 C ATOM 595 CD1 LEU A 37 -0.980 6.201 -2.383 1.00 0.00 C ATOM 596 CD2 LEU A 37 0.747 5.604 -0.688 1.00 0.00 C ATOM 0 H LEU A 37 -2.977 3.167 0.758 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.191 5.316 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.977 3.382 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.261 4.076 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 37 0.033 4.353 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.197 6.692 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.728 5.792 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.450 6.926 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.474 6.129 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.339 6.291 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.236 4.771 -0.182 1.00 0.00 H new ATOM 608 N ARG A 38 -4.032 6.028 -0.283 1.00 0.00 N ATOM 609 CA ARG A 38 -4.901 7.113 -0.678 1.00 0.00 C ATOM 610 C ARG A 38 -5.519 7.833 0.529 1.00 0.00 C ATOM 611 O ARG A 38 -5.918 8.988 0.413 1.00 0.00 O ATOM 612 CB ARG A 38 -5.969 6.649 -1.666 1.00 0.00 C ATOM 613 CG ARG A 38 -5.424 6.085 -2.984 1.00 0.00 C ATOM 614 CD ARG A 38 -4.547 7.094 -3.738 1.00 0.00 C ATOM 615 NE ARG A 38 -5.271 8.331 -4.084 1.00 0.00 N ATOM 616 CZ ARG A 38 -4.707 9.451 -4.576 1.00 0.00 C ATOM 617 NH1 ARG A 38 -3.407 9.474 -4.887 1.00 0.00 N ATOM 618 NH2 ARG A 38 -5.455 10.533 -4.789 1.00 0.00 N ATOM 0 H ARG A 38 -4.424 5.099 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.277 7.843 -1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.581 5.885 -1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.626 7.489 -1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.843 5.186 -2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.258 5.787 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.680 7.344 -3.126 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.170 6.631 -4.650 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.281 8.339 -3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.836 8.640 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.987 10.326 -5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.453 10.512 -4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.030 11.382 -5.161 1.00 0.00 H new ATOM 632 N GLU A 39 -5.590 7.155 1.688 1.00 0.00 N ATOM 633 CA GLU A 39 -6.054 7.814 2.927 1.00 0.00 C ATOM 634 C GLU A 39 -5.113 8.942 3.227 1.00 0.00 C ATOM 635 O GLU A 39 -5.534 10.061 3.500 1.00 0.00 O ATOM 636 CB GLU A 39 -6.053 6.874 4.141 1.00 0.00 C ATOM 637 CG GLU A 39 -6.985 5.689 4.084 1.00 0.00 C ATOM 638 CD GLU A 39 -6.873 4.826 5.329 1.00 0.00 C ATOM 639 OE1 GLU A 39 -6.012 3.921 5.374 1.00 0.00 O ATOM 640 OE2 GLU A 39 -7.632 5.035 6.288 1.00 0.00 O ATOM 0 H GLU A 39 -5.339 6.172 1.796 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.079 8.146 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.038 6.502 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.303 7.461 5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.012 6.038 3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.757 5.089 3.203 1.00 0.00 H new ATOM 647 N ARG A 40 -3.830 8.623 3.137 1.00 0.00 N ATOM 648 CA ARG A 40 -2.761 9.573 3.347 1.00 0.00 C ATOM 649 C ARG A 40 -2.911 10.741 2.389 1.00 0.00 C ATOM 650 O ARG A 40 -2.898 11.888 2.800 1.00 0.00 O ATOM 651 CB ARG A 40 -1.428 8.924 3.059 1.00 0.00 C ATOM 652 CG ARG A 40 -1.047 7.732 3.912 1.00 0.00 C ATOM 653 CD ARG A 40 0.230 7.084 3.375 1.00 0.00 C ATOM 654 NE ARG A 40 1.344 8.051 3.277 1.00 0.00 N ATOM 655 CZ ARG A 40 1.699 8.719 2.152 1.00 0.00 C ATOM 656 NH1 ARG A 40 0.990 8.562 1.029 1.00 0.00 N ATOM 657 NH2 ARG A 40 2.719 9.562 2.173 1.00 0.00 N ATOM 0 H ARG A 40 -3.504 7.683 2.913 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.808 9.913 4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.422 8.610 2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.652 9.681 3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.897 8.048 4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.859 7.004 3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.521 6.261 4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.034 6.657 2.392 1.00 0.00 H new ATOM 0 HE ARG A 40 1.888 8.229 4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.182 7.940 1.019 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.257 9.065 0.183 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.240 9.710 3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.984 10.063 1.325 1.00 0.00 H new ATOM 671 N GLU A 41 -3.074 10.418 1.113 1.00 0.00 N ATOM 672 CA GLU A 41 -3.187 11.413 0.046 1.00 0.00 C ATOM 673 C GLU A 41 -4.357 12.360 0.302 1.00 0.00 C ATOM 674 O GLU A 41 -4.219 13.575 0.171 1.00 0.00 O ATOM 675 CB GLU A 41 -3.372 10.726 -1.313 1.00 0.00 C ATOM 676 CG GLU A 41 -2.312 9.681 -1.653 1.00 0.00 C ATOM 677 CD GLU A 41 -0.911 10.227 -1.716 1.00 0.00 C ATOM 678 OE1 GLU A 41 -0.244 10.298 -0.675 1.00 0.00 O ATOM 679 OE2 GLU A 41 -0.440 10.569 -2.822 1.00 0.00 O ATOM 0 H GLU A 41 -3.132 9.454 0.784 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.264 11.992 0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.352 10.249 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.373 11.488 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.348 8.886 -0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.558 9.228 -2.614 1.00 0.00 H new ATOM 686 N GLY A 42 -5.484 11.802 0.725 1.00 0.00 N ATOM 687 CA GLY A 42 -6.667 12.604 0.957 1.00 0.00 C ATOM 688 C GLY A 42 -6.627 13.348 2.276 1.00 0.00 C ATOM 689 O GLY A 42 -7.441 14.233 2.521 1.00 0.00 O ATOM 0 H GLY A 42 -5.599 10.806 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.778 13.322 0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.546 11.960 0.936 1.00 0.00 H new ATOM 693 N ARG A 43 -5.710 12.973 3.127 1.00 0.00 N ATOM 694 CA ARG A 43 -5.567 13.585 4.437 1.00 0.00 C ATOM 695 C ARG A 43 -4.519 14.704 4.380 1.00 0.00 C ATOM 696 O ARG A 43 -4.486 15.592 5.231 1.00 0.00 O ATOM 697 CB ARG A 43 -5.138 12.506 5.437 1.00 0.00 C ATOM 698 CG ARG A 43 -5.051 12.941 6.892 1.00 0.00 C ATOM 699 CD ARG A 43 -4.518 11.803 7.746 1.00 0.00 C ATOM 700 NE ARG A 43 -3.154 11.431 7.342 1.00 0.00 N ATOM 701 CZ ARG A 43 -2.704 10.188 7.108 1.00 0.00 C ATOM 702 NH1 ARG A 43 -3.512 9.132 7.235 1.00 0.00 N ATOM 703 NH2 ARG A 43 -1.441 10.013 6.730 1.00 0.00 N ATOM 0 H ARG A 43 -5.035 12.232 2.938 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.516 14.020 4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.840 11.675 5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.163 12.125 5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.399 13.810 6.982 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.036 13.244 7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.522 12.099 8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.176 10.938 7.656 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.484 12.192 7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.484 9.264 7.513 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.157 8.193 7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.825 10.819 6.621 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.088 9.073 6.549 1.00 0.00 H new ATOM 717 N ARG A 44 -3.665 14.656 3.383 1.00 0.00 N ATOM 718 CA ARG A 44 -2.603 15.629 3.256 1.00 0.00 C ATOM 719 C ARG A 44 -2.999 16.763 2.344 1.00 0.00 C ATOM 720 O ARG A 44 -3.268 16.553 1.167 1.00 0.00 O ATOM 721 CB ARG A 44 -1.315 15.000 2.720 1.00 0.00 C ATOM 722 CG ARG A 44 -0.714 13.927 3.599 1.00 0.00 C ATOM 723 CD ARG A 44 0.617 13.448 3.046 1.00 0.00 C ATOM 724 NE ARG A 44 0.504 12.850 1.699 1.00 0.00 N ATOM 725 CZ ARG A 44 1.360 13.091 0.686 1.00 0.00 C ATOM 726 NH1 ARG A 44 2.297 14.025 0.807 1.00 0.00 N ATOM 727 NH2 ARG A 44 1.268 12.408 -0.448 1.00 0.00 N ATOM 0 H ARG A 44 -3.685 13.951 2.646 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.423 16.013 4.260 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.519 14.572 1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.576 15.788 2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.573 14.316 4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.404 13.086 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.311 14.288 3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.044 12.713 3.729 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.273 12.213 1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.371 14.564 1.670 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.942 14.203 0.037 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.546 11.696 -0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.919 12.595 -1.211 1.00 0.00 H new ATOM 741 N GLU A 45 -3.025 17.958 2.881 1.00 0.00 N ATOM 742 CA GLU A 45 -3.278 19.155 2.090 1.00 0.00 C ATOM 743 C GLU A 45 -1.935 19.789 1.717 1.00 0.00 C ATOM 744 O GLU A 45 -1.826 20.998 1.470 1.00 0.00 O ATOM 745 CB GLU A 45 -4.134 20.153 2.879 1.00 0.00 C ATOM 746 CG GLU A 45 -5.516 19.635 3.256 1.00 0.00 C ATOM 747 CD GLU A 45 -6.287 19.117 2.063 1.00 0.00 C ATOM 748 OE1 GLU A 45 -6.408 19.834 1.042 1.00 0.00 O ATOM 749 OE2 GLU A 45 -6.799 17.987 2.121 1.00 0.00 O ATOM 0 H GLU A 45 -2.873 18.137 3.874 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.825 18.885 1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.602 20.429 3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.248 21.062 2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.413 18.837 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.083 20.436 3.731 1.00 0.00 H new ATOM 756 N VAL A 46 -0.925 18.963 1.672 1.00 0.00 N ATOM 757 CA VAL A 46 0.418 19.366 1.369 1.00 0.00 C ATOM 758 C VAL A 46 1.100 18.223 0.620 1.00 0.00 C ATOM 759 O VAL A 46 0.702 17.057 0.768 1.00 0.00 O ATOM 760 CB VAL A 46 1.207 19.722 2.684 1.00 0.00 C ATOM 761 CG1 VAL A 46 1.295 18.533 3.630 1.00 0.00 C ATOM 762 CG2 VAL A 46 2.597 20.276 2.385 1.00 0.00 C ATOM 0 H VAL A 46 -1.018 17.963 1.850 1.00 0.00 H new ATOM 0 HA VAL A 46 0.405 20.262 0.749 1.00 0.00 H new ATOM 0 HB VAL A 46 0.638 20.506 3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.847 18.820 4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.290 18.215 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.811 17.711 3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.105 20.508 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.174 19.534 1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.506 21.183 1.787 1.00 0.00 H new ATOM 772 N ASP A 47 2.044 18.550 -0.210 1.00 0.00 N ATOM 773 CA ASP A 47 2.815 17.578 -0.945 1.00 0.00 C ATOM 774 C ASP A 47 4.275 17.773 -0.638 1.00 0.00 C ATOM 775 O ASP A 47 4.845 16.973 0.129 1.00 0.00 O ATOM 776 CB ASP A 47 2.567 17.674 -2.453 1.00 0.00 C ATOM 777 CG ASP A 47 3.482 16.758 -3.239 1.00 0.00 C ATOM 778 OD1 ASP A 47 4.206 17.239 -4.123 1.00 0.00 O ATOM 779 OD2 ASP A 47 3.524 15.540 -2.958 1.00 0.00 O ATOM 780 OXT ASP A 47 4.855 18.776 -1.097 1.00 0.00 O ATOM 0 H ASP A 47 2.309 19.516 -0.403 1.00 0.00 H new ATOM 0 HA ASP A 47 2.500 16.582 -0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.529 17.419 -2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.716 18.703 -2.780 1.00 0.00 H new TER 785 ASP A 47