USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 383 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 25 GLN : amide:sc= 0.349 K(o=1,f=-2.2) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 168:sc= 0.696 (180deg=0) USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.193 (180deg=-0.193) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.0884 USER MOD Single : A 17 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.74) USER MOD Single : A 26 GLN : amide:sc= 1.42 K(o=1.4,f=-1.3) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -2.12! C(o=-2.1!,f=-6.5!) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -14.141 -3.341 -3.855 1.00 0.00 N HETATM 2 CA PCA A 1 -12.832 -3.700 -3.312 1.00 0.00 C HETATM 3 CB PCA A 1 -12.166 -4.569 -4.364 1.00 0.00 C HETATM 4 CG PCA A 1 -13.060 -4.505 -5.590 1.00 0.00 C HETATM 5 CD PCA A 1 -14.181 -3.573 -5.162 1.00 0.00 C HETATM 6 OE PCA A 1 -14.992 -3.085 -5.946 1.00 0.00 O HETATM 7 C PCA A 1 -11.990 -2.458 -3.064 1.00 0.00 C HETATM 8 O PCA A 1 -10.934 -2.514 -2.425 1.00 0.00 O HETATM 0 H2 PCA A 1 -14.698 -4.204 -4.016 1.00 0.00 H new HETATM 0 HA PCA A 1 -12.934 -4.218 -2.359 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -11.164 -4.205 -4.593 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -12.060 -5.595 -4.012 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -12.525 -4.118 -6.457 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -13.439 -5.490 -5.863 1.00 0.00 H new ATOM 15 N ARG A 2 -12.481 -1.341 -3.535 1.00 0.00 N ATOM 16 CA ARG A 2 -11.782 -0.089 -3.437 1.00 0.00 C ATOM 17 C ARG A 2 -12.406 0.783 -2.358 1.00 0.00 C ATOM 18 O ARG A 2 -13.591 0.659 -2.051 1.00 0.00 O ATOM 19 CB ARG A 2 -11.747 0.609 -4.814 1.00 0.00 C ATOM 20 CG ARG A 2 -11.109 1.991 -4.820 1.00 0.00 C ATOM 21 CD ARG A 2 -10.804 2.458 -6.223 1.00 0.00 C ATOM 22 NE ARG A 2 -9.722 1.664 -6.828 1.00 0.00 N ATOM 23 CZ ARG A 2 -9.533 1.492 -8.137 1.00 0.00 C ATOM 24 NH1 ARG A 2 -10.413 1.963 -9.002 1.00 0.00 N ATOM 25 NH2 ARG A 2 -8.470 0.827 -8.577 1.00 0.00 N ATOM 0 H ARG A 2 -13.386 -1.276 -4.001 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.749 -0.271 -3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.205 -0.028 -5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -12.768 0.695 -5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.778 2.703 -4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.189 1.970 -4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.701 2.381 -6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.519 3.510 -6.205 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.064 1.209 -6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.240 2.460 -8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.266 1.830 -10.003 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.796 0.446 -7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.328 0.697 -9.579 1.00 0.00 H new ATOM 39 N GLY A 3 -11.602 1.615 -1.764 1.00 0.00 N ATOM 40 CA GLY A 3 -12.053 2.490 -0.730 1.00 0.00 C ATOM 41 C GLY A 3 -10.879 3.004 0.024 1.00 0.00 C ATOM 42 O GLY A 3 -9.996 3.627 -0.562 1.00 0.00 O ATOM 0 H GLY A 3 -10.611 1.704 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.616 3.319 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.728 1.960 -0.058 1.00 0.00 H new ATOM 46 N SER A 4 -10.828 2.715 1.294 1.00 0.00 N ATOM 47 CA SER A 4 -9.711 3.100 2.106 1.00 0.00 C ATOM 48 C SER A 4 -8.533 2.156 1.787 1.00 0.00 C ATOM 49 O SER A 4 -8.740 0.944 1.655 1.00 0.00 O ATOM 50 CB SER A 4 -10.122 3.038 3.572 1.00 0.00 C ATOM 51 OG SER A 4 -11.275 3.858 3.788 1.00 0.00 O ATOM 0 H SER A 4 -11.558 2.207 1.793 1.00 0.00 H new ATOM 0 HA SER A 4 -9.394 4.122 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.339 2.008 3.855 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.301 3.376 4.204 1.00 0.00 H new ATOM 0 HG SER A 4 -11.536 3.813 4.732 1.00 0.00 H new ATOM 57 N PRO A 5 -7.309 2.701 1.637 1.00 0.00 N ATOM 58 CA PRO A 5 -6.125 1.948 1.186 1.00 0.00 C ATOM 59 C PRO A 5 -5.860 0.638 1.951 1.00 0.00 C ATOM 60 O PRO A 5 -5.637 -0.413 1.335 1.00 0.00 O ATOM 61 CB PRO A 5 -4.954 2.936 1.354 1.00 0.00 C ATOM 62 CG PRO A 5 -5.498 4.086 2.134 1.00 0.00 C ATOM 63 CD PRO A 5 -6.975 4.111 1.887 1.00 0.00 C ATOM 0 HA PRO A 5 -6.270 1.609 0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.120 2.468 1.878 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -4.578 3.264 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.285 3.969 3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.036 5.021 1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.518 4.505 2.746 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -7.228 4.740 1.034 1.00 0.00 H new ATOM 71 N ARG A 6 -5.913 0.681 3.278 1.00 0.00 N ATOM 72 CA ARG A 6 -5.631 -0.507 4.075 1.00 0.00 C ATOM 73 C ARG A 6 -6.767 -1.519 3.954 1.00 0.00 C ATOM 74 O ARG A 6 -6.546 -2.720 4.042 1.00 0.00 O ATOM 75 CB ARG A 6 -5.325 -0.171 5.546 1.00 0.00 C ATOM 76 CG ARG A 6 -4.910 -1.380 6.382 1.00 0.00 C ATOM 77 CD ARG A 6 -4.562 -0.997 7.809 1.00 0.00 C ATOM 78 NE ARG A 6 -4.130 -2.163 8.592 1.00 0.00 N ATOM 79 CZ ARG A 6 -3.578 -2.129 9.815 1.00 0.00 C ATOM 80 NH1 ARG A 6 -3.469 -0.984 10.480 1.00 0.00 N ATOM 81 NH2 ARG A 6 -3.156 -3.253 10.368 1.00 0.00 N ATOM 0 H ARG A 6 -6.145 1.514 3.819 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.726 -0.960 3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.529 0.573 5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.207 0.284 5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.720 -2.109 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.051 -1.863 5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.770 -0.249 7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.429 -0.539 8.285 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.262 -3.081 8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.807 -0.117 10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.048 -0.972 11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.251 -4.136 9.866 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.735 -3.238 11.297 1.00 0.00 H new ATOM 95 N ALA A 7 -7.968 -1.037 3.707 1.00 0.00 N ATOM 96 CA ALA A 7 -9.095 -1.921 3.495 1.00 0.00 C ATOM 97 C ALA A 7 -8.888 -2.694 2.196 1.00 0.00 C ATOM 98 O ALA A 7 -9.125 -3.901 2.141 1.00 0.00 O ATOM 99 CB ALA A 7 -10.406 -1.144 3.470 1.00 0.00 C ATOM 0 H ALA A 7 -8.188 -0.043 3.648 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.157 -2.626 4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.235 -1.834 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.542 -0.629 4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.380 -0.413 2.662 1.00 0.00 H new ATOM 105 N GLU A 8 -8.371 -1.996 1.174 1.00 0.00 N ATOM 106 CA GLU A 8 -8.072 -2.601 -0.131 1.00 0.00 C ATOM 107 C GLU A 8 -6.961 -3.621 0.045 1.00 0.00 C ATOM 108 O GLU A 8 -6.947 -4.682 -0.590 1.00 0.00 O ATOM 109 CB GLU A 8 -7.590 -1.542 -1.109 1.00 0.00 C ATOM 110 CG GLU A 8 -8.476 -0.328 -1.212 1.00 0.00 C ATOM 111 CD GLU A 8 -7.932 0.671 -2.177 1.00 0.00 C ATOM 112 OE1 GLU A 8 -8.657 1.078 -3.093 1.00 0.00 O ATOM 113 OE2 GLU A 8 -6.751 1.028 -2.077 1.00 0.00 O ATOM 0 H GLU A 8 -8.150 -1.002 1.229 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.977 -3.069 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.591 -1.222 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.500 -1.994 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.474 -0.632 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.578 0.133 -0.229 1.00 0.00 H new ATOM 120 N TYR A 9 -6.024 -3.263 0.900 1.00 0.00 N ATOM 121 CA TYR A 9 -4.913 -4.107 1.284 1.00 0.00 C ATOM 122 C TYR A 9 -5.427 -5.413 1.882 1.00 0.00 C ATOM 123 O TYR A 9 -4.990 -6.498 1.490 1.00 0.00 O ATOM 124 CB TYR A 9 -4.048 -3.354 2.296 1.00 0.00 C ATOM 125 CG TYR A 9 -2.935 -4.150 2.908 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.091 -4.726 4.155 1.00 0.00 C ATOM 127 CD2 TYR A 9 -1.736 -4.326 2.251 1.00 0.00 C ATOM 128 CE1 TYR A 9 -2.090 -5.449 4.731 1.00 0.00 C ATOM 129 CE2 TYR A 9 -0.724 -5.052 2.821 1.00 0.00 C ATOM 130 CZ TYR A 9 -0.903 -5.612 4.063 1.00 0.00 C ATOM 131 OH TYR A 9 0.115 -6.335 4.638 1.00 0.00 O ATOM 0 H TYR A 9 -6.015 -2.352 1.359 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.313 -4.351 0.407 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.620 -2.481 1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.691 -2.986 3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.025 -4.600 4.683 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.593 -3.886 1.275 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.230 -5.891 5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.211 -5.184 2.296 1.00 0.00 H new ATOM 0 HH TYR A 9 0.885 -6.354 4.032 1.00 0.00 H new ATOM 141 N GLU A 10 -6.355 -5.300 2.813 1.00 0.00 N ATOM 142 CA GLU A 10 -6.959 -6.457 3.443 1.00 0.00 C ATOM 143 C GLU A 10 -7.722 -7.289 2.409 1.00 0.00 C ATOM 144 O GLU A 10 -7.627 -8.513 2.411 1.00 0.00 O ATOM 145 CB GLU A 10 -7.869 -6.032 4.588 1.00 0.00 C ATOM 146 CG GLU A 10 -7.151 -5.336 5.741 1.00 0.00 C ATOM 147 CD GLU A 10 -6.229 -6.252 6.513 1.00 0.00 C ATOM 148 OE1 GLU A 10 -5.023 -6.320 6.214 1.00 0.00 O ATOM 149 OE2 GLU A 10 -6.701 -6.906 7.463 1.00 0.00 O ATOM 0 H GLU A 10 -6.710 -4.406 3.153 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.168 -7.079 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.636 -5.363 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.382 -6.913 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.574 -4.499 5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.892 -4.920 6.423 1.00 0.00 H new ATOM 156 N VAL A 11 -8.440 -6.610 1.496 1.00 0.00 N ATOM 157 CA VAL A 11 -9.158 -7.282 0.396 1.00 0.00 C ATOM 158 C VAL A 11 -8.191 -8.142 -0.420 1.00 0.00 C ATOM 159 O VAL A 11 -8.507 -9.267 -0.764 1.00 0.00 O ATOM 160 CB VAL A 11 -9.887 -6.274 -0.556 1.00 0.00 C ATOM 161 CG1 VAL A 11 -10.540 -6.993 -1.734 1.00 0.00 C ATOM 162 CG2 VAL A 11 -10.942 -5.493 0.198 1.00 0.00 C ATOM 0 H VAL A 11 -8.539 -5.595 1.498 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.921 -7.909 0.858 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.131 -5.588 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.037 -6.265 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.777 -7.520 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.273 -7.709 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.436 -4.799 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.678 -6.182 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.472 -4.935 1.008 1.00 0.00 H new ATOM 172 N CYS A 12 -7.009 -7.607 -0.675 1.00 0.00 N ATOM 173 CA CYS A 12 -5.940 -8.305 -1.400 1.00 0.00 C ATOM 174 C CYS A 12 -5.582 -9.636 -0.721 1.00 0.00 C ATOM 175 O CYS A 12 -5.432 -10.670 -1.380 1.00 0.00 O ATOM 176 CB CYS A 12 -4.702 -7.401 -1.478 1.00 0.00 C ATOM 177 SG CYS A 12 -3.191 -8.214 -2.082 1.00 0.00 S ATOM 0 H CYS A 12 -6.753 -6.663 -0.384 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.294 -8.530 -2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.928 -6.557 -2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.505 -6.994 -0.486 1.00 0.00 H new ATOM 182 N ARG A 13 -5.503 -9.604 0.595 1.00 0.00 N ATOM 183 CA ARG A 13 -5.153 -10.773 1.392 1.00 0.00 C ATOM 184 C ARG A 13 -6.309 -11.763 1.313 1.00 0.00 C ATOM 185 O ARG A 13 -6.120 -12.952 1.043 1.00 0.00 O ATOM 186 CB ARG A 13 -4.920 -10.338 2.849 1.00 0.00 C ATOM 187 CG ARG A 13 -4.040 -9.102 2.963 1.00 0.00 C ATOM 188 CD ARG A 13 -3.907 -8.599 4.389 1.00 0.00 C ATOM 189 NE ARG A 13 -2.939 -9.356 5.172 1.00 0.00 N ATOM 190 CZ ARG A 13 -2.454 -8.970 6.354 1.00 0.00 C ATOM 191 NH1 ARG A 13 -3.006 -7.942 7.007 1.00 0.00 N ATOM 192 NH2 ARG A 13 -1.435 -9.631 6.886 1.00 0.00 N ATOM 0 H ARG A 13 -5.680 -8.765 1.148 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.242 -11.241 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.882 -10.138 3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.459 -11.158 3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.049 -9.330 2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.454 -8.309 2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.612 -7.550 4.372 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.880 -8.648 4.878 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.609 -10.242 4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.802 -7.449 6.602 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.631 -7.651 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.029 -10.426 6.392 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.057 -9.344 7.789 1.00 0.00 H new ATOM 206 N LEU A 14 -7.518 -11.232 1.483 1.00 0.00 N ATOM 207 CA LEU A 14 -8.748 -12.010 1.414 1.00 0.00 C ATOM 208 C LEU A 14 -8.893 -12.682 0.044 1.00 0.00 C ATOM 209 O LEU A 14 -9.340 -13.817 -0.040 1.00 0.00 O ATOM 210 CB LEU A 14 -9.964 -11.122 1.701 1.00 0.00 C ATOM 211 CG LEU A 14 -9.993 -10.417 3.065 1.00 0.00 C ATOM 212 CD1 LEU A 14 -11.189 -9.492 3.156 1.00 0.00 C ATOM 213 CD2 LEU A 14 -10.027 -11.426 4.202 1.00 0.00 C ATOM 0 H LEU A 14 -7.670 -10.242 1.674 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.698 -12.789 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.022 -10.361 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.861 -11.735 1.615 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.081 -9.828 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.195 -9.000 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.128 -8.740 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.106 -10.069 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.047 -10.899 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.919 -12.046 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.140 -12.057 4.155 1.00 0.00 H new ATOM 225 N ARG A 15 -8.486 -11.976 -1.021 1.00 0.00 N ATOM 226 CA ARG A 15 -8.504 -12.514 -2.397 1.00 0.00 C ATOM 227 C ARG A 15 -7.739 -13.810 -2.458 1.00 0.00 C ATOM 228 O ARG A 15 -8.234 -14.812 -2.948 1.00 0.00 O ATOM 229 CB ARG A 15 -7.867 -11.537 -3.401 1.00 0.00 C ATOM 230 CG ARG A 15 -8.664 -10.287 -3.711 1.00 0.00 C ATOM 231 CD ARG A 15 -9.957 -10.612 -4.429 1.00 0.00 C ATOM 232 NE ARG A 15 -10.662 -9.401 -4.848 1.00 0.00 N ATOM 233 CZ ARG A 15 -11.984 -9.216 -4.819 1.00 0.00 C ATOM 234 NH1 ARG A 15 -12.784 -10.094 -4.208 1.00 0.00 N ATOM 235 NH2 ARG A 15 -12.492 -8.126 -5.367 1.00 0.00 N ATOM 0 H ARG A 15 -8.136 -11.020 -0.958 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.549 -12.669 -2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.893 -11.236 -3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.690 -12.071 -4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.885 -9.757 -2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.064 -9.616 -4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.743 -11.229 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.600 -11.199 -3.773 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.093 -8.628 -5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.387 -10.918 -3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.792 -9.941 -4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.876 -7.440 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.500 -7.970 -5.353 1.00 0.00 H new ATOM 249 N CYS A 16 -6.549 -13.789 -1.916 1.00 0.00 N ATOM 250 CA CYS A 16 -5.682 -14.945 -1.903 1.00 0.00 C ATOM 251 C CYS A 16 -6.219 -16.065 -1.016 1.00 0.00 C ATOM 252 O CYS A 16 -5.896 -17.241 -1.216 1.00 0.00 O ATOM 253 CB CYS A 16 -4.288 -14.535 -1.488 1.00 0.00 C ATOM 254 SG CYS A 16 -3.461 -13.465 -2.691 1.00 0.00 S ATOM 0 H CYS A 16 -6.149 -12.965 -1.467 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.647 -15.348 -2.915 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.340 -14.018 -0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.685 -15.430 -1.335 1.00 0.00 H new ATOM 259 N GLN A 17 -7.034 -15.709 -0.057 1.00 0.00 N ATOM 260 CA GLN A 17 -7.667 -16.678 0.815 1.00 0.00 C ATOM 261 C GLN A 17 -8.822 -17.353 0.085 1.00 0.00 C ATOM 262 O GLN A 17 -9.022 -18.560 0.202 1.00 0.00 O ATOM 263 CB GLN A 17 -8.174 -15.992 2.068 1.00 0.00 C ATOM 264 CG GLN A 17 -7.082 -15.402 2.930 1.00 0.00 C ATOM 265 CD GLN A 17 -7.624 -14.472 3.985 1.00 0.00 C ATOM 266 OE1 GLN A 17 -8.755 -14.631 4.458 1.00 0.00 O ATOM 267 NE2 GLN A 17 -6.844 -13.494 4.352 1.00 0.00 N ATOM 0 H GLN A 17 -7.281 -14.740 0.146 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.936 -17.435 1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.865 -15.199 1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.741 -16.711 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.526 -16.208 3.410 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.377 -14.860 2.299 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.917 -13.398 3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.161 -12.825 5.054 1.00 0.00 H new ATOM 276 N VAL A 18 -9.565 -16.566 -0.682 1.00 0.00 N ATOM 277 CA VAL A 18 -10.710 -17.063 -1.442 1.00 0.00 C ATOM 278 C VAL A 18 -10.251 -17.826 -2.685 1.00 0.00 C ATOM 279 O VAL A 18 -10.817 -18.856 -3.039 1.00 0.00 O ATOM 280 CB VAL A 18 -11.686 -15.919 -1.838 1.00 0.00 C ATOM 281 CG1 VAL A 18 -12.883 -16.468 -2.593 1.00 0.00 C ATOM 282 CG2 VAL A 18 -12.161 -15.167 -0.606 1.00 0.00 C ATOM 0 H VAL A 18 -9.394 -15.567 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.252 -17.749 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.145 -15.231 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.552 -15.650 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.543 -16.969 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.415 -17.181 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.843 -14.371 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.678 -15.855 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -11.303 -14.735 -0.090 1.00 0.00 H new ATOM 292 N ALA A 19 -9.216 -17.322 -3.333 1.00 0.00 N ATOM 293 CA ALA A 19 -8.633 -17.985 -4.501 1.00 0.00 C ATOM 294 C ALA A 19 -7.861 -19.210 -4.073 1.00 0.00 C ATOM 295 O ALA A 19 -7.618 -20.121 -4.876 1.00 0.00 O ATOM 296 CB ALA A 19 -7.720 -17.048 -5.231 1.00 0.00 C ATOM 0 H ALA A 19 -8.755 -16.450 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.443 -18.284 -5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.294 -17.555 -6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.283 -16.176 -5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.917 -16.730 -4.566 1.00 0.00 H new ATOM 302 N GLU A 20 -7.465 -19.195 -2.800 1.00 0.00 N ATOM 303 CA GLU A 20 -6.813 -20.282 -2.113 1.00 0.00 C ATOM 304 C GLU A 20 -5.394 -20.493 -2.591 1.00 0.00 C ATOM 305 O GLU A 20 -5.124 -21.216 -3.547 1.00 0.00 O ATOM 306 CB GLU A 20 -7.659 -21.532 -2.166 1.00 0.00 C ATOM 307 CG GLU A 20 -9.065 -21.258 -1.681 1.00 0.00 C ATOM 308 CD GLU A 20 -9.970 -22.443 -1.734 1.00 0.00 C ATOM 309 OE1 GLU A 20 -10.098 -23.151 -0.707 1.00 0.00 O ATOM 310 OE2 GLU A 20 -10.600 -22.673 -2.785 1.00 0.00 O ATOM 0 H GLU A 20 -7.602 -18.380 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.719 -20.011 -1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.691 -21.911 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.204 -22.309 -1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.019 -20.895 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.496 -20.458 -2.283 1.00 0.00 H new ATOM 317 N ARG A 21 -4.503 -19.786 -1.959 1.00 0.00 N ATOM 318 CA ARG A 21 -3.097 -19.855 -2.258 1.00 0.00 C ATOM 319 C ARG A 21 -2.379 -20.433 -1.055 1.00 0.00 C ATOM 320 O ARG A 21 -2.964 -20.512 0.034 1.00 0.00 O ATOM 321 CB ARG A 21 -2.534 -18.458 -2.567 1.00 0.00 C ATOM 322 CG ARG A 21 -3.222 -17.713 -3.703 1.00 0.00 C ATOM 323 CD ARG A 21 -3.174 -18.487 -5.011 1.00 0.00 C ATOM 324 NE ARG A 21 -3.775 -17.721 -6.105 1.00 0.00 N ATOM 325 CZ ARG A 21 -4.535 -18.223 -7.089 1.00 0.00 C ATOM 326 NH1 ARG A 21 -4.832 -19.525 -7.120 1.00 0.00 N ATOM 327 NH2 ARG A 21 -4.997 -17.416 -8.041 1.00 0.00 N ATOM 0 H ARG A 21 -4.734 -19.134 -1.209 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.947 -20.485 -3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.600 -17.851 -1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.476 -18.557 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.261 -17.523 -3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.745 -16.742 -3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.139 -18.726 -5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.701 -19.434 -4.895 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.600 -16.716 -6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.480 -20.146 -6.391 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.411 -19.898 -7.872 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.772 -16.421 -8.020 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.576 -17.792 -8.792 1.00 0.00 H new ATOM 341 N GLY A 22 -1.145 -20.819 -1.238 1.00 0.00 N ATOM 342 CA GLY A 22 -0.364 -21.392 -0.168 1.00 0.00 C ATOM 343 C GLY A 22 0.029 -20.371 0.879 1.00 0.00 C ATOM 344 O GLY A 22 -0.136 -19.165 0.666 1.00 0.00 O ATOM 0 H GLY A 22 -0.652 -20.747 -2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.935 -22.191 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.536 -21.846 -0.583 1.00 0.00 H new ATOM 348 N VAL A 23 0.579 -20.851 1.977 1.00 0.00 N ATOM 349 CA VAL A 23 0.976 -20.017 3.119 1.00 0.00 C ATOM 350 C VAL A 23 1.986 -18.953 2.684 1.00 0.00 C ATOM 351 O VAL A 23 1.842 -17.761 2.996 1.00 0.00 O ATOM 352 CB VAL A 23 1.607 -20.893 4.236 1.00 0.00 C ATOM 353 CG1 VAL A 23 2.010 -20.056 5.444 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.651 -22.001 4.651 1.00 0.00 C ATOM 0 H VAL A 23 0.770 -21.844 2.113 1.00 0.00 H new ATOM 0 HA VAL A 23 0.082 -19.527 3.504 1.00 0.00 H new ATOM 0 HB VAL A 23 2.512 -21.345 3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.448 -20.702 6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.741 -19.307 5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.130 -19.559 5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.111 -22.604 5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.273 -21.562 5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.430 -22.632 3.790 1.00 0.00 H new ATOM 364 N GLU A 24 2.966 -19.392 1.922 1.00 0.00 N ATOM 365 CA GLU A 24 4.015 -18.534 1.406 1.00 0.00 C ATOM 366 C GLU A 24 3.408 -17.493 0.480 1.00 0.00 C ATOM 367 O GLU A 24 3.755 -16.320 0.531 1.00 0.00 O ATOM 368 CB GLU A 24 5.009 -19.372 0.625 1.00 0.00 C ATOM 369 CG GLU A 24 5.640 -20.500 1.418 1.00 0.00 C ATOM 370 CD GLU A 24 6.368 -21.454 0.525 1.00 0.00 C ATOM 371 OE1 GLU A 24 7.593 -21.308 0.343 1.00 0.00 O ATOM 372 OE2 GLU A 24 5.716 -22.352 -0.052 1.00 0.00 O ATOM 0 H GLU A 24 3.059 -20.368 1.639 1.00 0.00 H new ATOM 0 HA GLU A 24 4.519 -18.038 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.505 -19.794 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.799 -18.721 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.331 -20.088 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.868 -21.034 1.971 1.00 0.00 H new ATOM 379 N GLN A 25 2.461 -17.935 -0.326 1.00 0.00 N ATOM 380 CA GLN A 25 1.800 -17.082 -1.288 1.00 0.00 C ATOM 381 C GLN A 25 0.966 -16.014 -0.614 1.00 0.00 C ATOM 382 O GLN A 25 0.969 -14.887 -1.059 1.00 0.00 O ATOM 383 CB GLN A 25 0.980 -17.878 -2.319 1.00 0.00 C ATOM 384 CG GLN A 25 1.801 -18.552 -3.432 1.00 0.00 C ATOM 385 CD GLN A 25 2.843 -19.532 -2.929 1.00 0.00 C ATOM 386 OE1 GLN A 25 3.989 -19.157 -2.667 1.00 0.00 O ATOM 387 NE2 GLN A 25 2.468 -20.786 -2.806 1.00 0.00 N ATOM 0 H GLN A 25 2.129 -18.900 -0.330 1.00 0.00 H new ATOM 0 HA GLN A 25 2.590 -16.576 -1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.412 -18.646 -1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.256 -17.206 -2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.121 -19.075 -4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.298 -17.780 -4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.511 -21.057 -3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.134 -21.488 -2.484 1.00 0.00 H new ATOM 396 N GLN A 26 0.288 -16.362 0.482 1.00 0.00 N ATOM 397 CA GLN A 26 -0.504 -15.379 1.255 1.00 0.00 C ATOM 398 C GLN A 26 0.415 -14.245 1.731 1.00 0.00 C ATOM 399 O GLN A 26 0.060 -13.062 1.665 1.00 0.00 O ATOM 400 CB GLN A 26 -1.159 -16.031 2.489 1.00 0.00 C ATOM 401 CG GLN A 26 -2.063 -17.221 2.221 1.00 0.00 C ATOM 402 CD GLN A 26 -3.262 -16.882 1.375 1.00 0.00 C ATOM 403 OE1 GLN A 26 -3.757 -15.761 1.380 1.00 0.00 O ATOM 404 NE2 GLN A 26 -3.758 -17.837 0.667 1.00 0.00 N ATOM 0 H GLN A 26 0.266 -17.309 0.860 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.289 -14.993 0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.368 -16.348 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.740 -15.270 3.010 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.486 -18.002 1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.403 -17.631 3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.325 -18.761 0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.583 -17.670 0.091 1.00 0.00 H new ATOM 413 N ARG A 27 1.616 -14.628 2.167 1.00 0.00 N ATOM 414 CA ARG A 27 2.629 -13.683 2.636 1.00 0.00 C ATOM 415 C ARG A 27 3.118 -12.804 1.484 1.00 0.00 C ATOM 416 O ARG A 27 3.459 -11.634 1.672 1.00 0.00 O ATOM 417 CB ARG A 27 3.810 -14.428 3.253 1.00 0.00 C ATOM 418 CG ARG A 27 3.440 -15.321 4.420 1.00 0.00 C ATOM 419 CD ARG A 27 4.656 -16.054 4.942 1.00 0.00 C ATOM 420 NE ARG A 27 4.328 -16.984 6.023 1.00 0.00 N ATOM 421 CZ ARG A 27 5.229 -17.644 6.764 1.00 0.00 C ATOM 422 NH1 ARG A 27 6.535 -17.408 6.601 1.00 0.00 N ATOM 423 NH2 ARG A 27 4.829 -18.517 7.675 1.00 0.00 N ATOM 0 H ARG A 27 1.913 -15.603 2.205 1.00 0.00 H new ATOM 0 HA ARG A 27 2.174 -13.048 3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.285 -15.035 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.550 -13.700 3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.001 -14.722 5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.683 -16.040 4.108 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.124 -16.602 4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.387 -15.329 5.300 1.00 0.00 H new ATOM 0 HE ARG A 27 3.341 -17.142 6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.848 -16.724 5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.219 -17.912 7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.833 -18.689 7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.517 -19.018 8.238 1.00 0.00 H new ATOM 437 N LYS A 28 3.151 -13.369 0.300 1.00 0.00 N ATOM 438 CA LYS A 28 3.537 -12.634 -0.891 1.00 0.00 C ATOM 439 C LYS A 28 2.430 -11.665 -1.264 1.00 0.00 C ATOM 440 O LYS A 28 2.692 -10.512 -1.549 1.00 0.00 O ATOM 441 CB LYS A 28 3.847 -13.596 -2.043 1.00 0.00 C ATOM 442 CG LYS A 28 5.006 -14.529 -1.743 1.00 0.00 C ATOM 443 CD LYS A 28 5.180 -15.591 -2.809 1.00 0.00 C ATOM 444 CE LYS A 28 6.301 -16.541 -2.429 1.00 0.00 C ATOM 445 NZ LYS A 28 6.438 -17.663 -3.376 1.00 0.00 N ATOM 0 H LYS A 28 2.913 -14.346 0.131 1.00 0.00 H new ATOM 0 HA LYS A 28 4.445 -12.066 -0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.959 -14.188 -2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.075 -13.019 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.925 -13.948 -1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.843 -15.009 -0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.250 -16.146 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.402 -15.121 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.240 -15.990 -2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.116 -16.934 -1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.331 -18.164 -3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.641 -18.320 -3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.438 -17.297 -4.350 1.00 0.00 H new ATOM 459 N CYS A 29 1.192 -12.144 -1.195 1.00 0.00 N ATOM 460 CA CYS A 29 -0.009 -11.346 -1.470 1.00 0.00 C ATOM 461 C CYS A 29 -0.001 -10.054 -0.672 1.00 0.00 C ATOM 462 O CYS A 29 -0.068 -8.944 -1.243 1.00 0.00 O ATOM 463 CB CYS A 29 -1.266 -12.154 -1.122 1.00 0.00 C ATOM 464 SG CYS A 29 -1.528 -13.617 -2.152 1.00 0.00 S ATOM 0 H CYS A 29 0.986 -13.111 -0.943 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.014 -11.098 -2.531 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.205 -12.466 -0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.136 -11.503 -1.209 1.00 0.00 H new ATOM 469 N GLU A 30 0.145 -10.189 0.639 1.00 0.00 N ATOM 470 CA GLU A 30 0.162 -9.047 1.516 1.00 0.00 C ATOM 471 C GLU A 30 1.371 -8.149 1.262 1.00 0.00 C ATOM 472 O GLU A 30 1.257 -6.945 1.352 1.00 0.00 O ATOM 473 CB GLU A 30 0.056 -9.465 2.993 1.00 0.00 C ATOM 474 CG GLU A 30 1.036 -10.541 3.408 1.00 0.00 C ATOM 475 CD GLU A 30 0.972 -10.873 4.869 1.00 0.00 C ATOM 476 OE1 GLU A 30 1.946 -10.577 5.592 1.00 0.00 O ATOM 477 OE2 GLU A 30 -0.059 -11.404 5.332 1.00 0.00 O ATOM 0 H GLU A 30 0.253 -11.086 1.112 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.723 -8.454 1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.212 -8.587 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.957 -9.818 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.840 -11.443 2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.047 -10.217 3.161 1.00 0.00 H new ATOM 484 N GLN A 31 2.499 -8.730 0.878 1.00 0.00 N ATOM 485 CA GLN A 31 3.699 -7.939 0.650 1.00 0.00 C ATOM 486 C GLN A 31 3.616 -7.162 -0.666 1.00 0.00 C ATOM 487 O GLN A 31 3.923 -5.973 -0.702 1.00 0.00 O ATOM 488 CB GLN A 31 4.963 -8.796 0.701 1.00 0.00 C ATOM 489 CG GLN A 31 6.242 -7.977 0.625 1.00 0.00 C ATOM 490 CD GLN A 31 7.487 -8.808 0.801 1.00 0.00 C ATOM 491 OE1 GLN A 31 7.955 -9.016 1.921 1.00 0.00 O ATOM 492 NE2 GLN A 31 8.046 -9.272 -0.280 1.00 0.00 N ATOM 0 H GLN A 31 2.608 -9.732 0.720 1.00 0.00 H new ATOM 0 HA GLN A 31 3.762 -7.215 1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.964 -9.376 1.624 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.945 -9.509 -0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.284 -7.469 -0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.217 -7.203 1.392 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.631 -9.080 -1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.899 -9.827 -0.215 1.00 0.00 H new ATOM 501 N VAL A 32 3.171 -7.820 -1.731 1.00 0.00 N ATOM 502 CA VAL A 32 3.036 -7.166 -3.038 1.00 0.00 C ATOM 503 C VAL A 32 2.031 -6.012 -2.937 1.00 0.00 C ATOM 504 O VAL A 32 2.258 -4.907 -3.456 1.00 0.00 O ATOM 505 CB VAL A 32 2.601 -8.164 -4.159 1.00 0.00 C ATOM 506 CG1 VAL A 32 2.452 -7.459 -5.499 1.00 0.00 C ATOM 507 CG2 VAL A 32 3.606 -9.293 -4.292 1.00 0.00 C ATOM 0 H VAL A 32 2.897 -8.803 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 32 4.016 -6.780 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 32 1.633 -8.575 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.149 -8.180 -6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.696 -6.678 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.405 -7.013 -5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.284 -9.976 -5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.583 -8.882 -4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.674 -9.833 -3.347 1.00 0.00 H new ATOM 517 N CYS A 33 0.945 -6.252 -2.234 1.00 0.00 N ATOM 518 CA CYS A 33 -0.033 -5.218 -2.009 1.00 0.00 C ATOM 519 C CYS A 33 0.475 -4.150 -1.049 1.00 0.00 C ATOM 520 O CYS A 33 0.117 -2.989 -1.187 1.00 0.00 O ATOM 521 CB CYS A 33 -1.380 -5.798 -1.604 1.00 0.00 C ATOM 522 SG CYS A 33 -2.161 -6.719 -2.968 1.00 0.00 S ATOM 0 H CYS A 33 0.720 -7.153 -1.811 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.196 -4.708 -2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.248 -6.460 -0.748 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.041 -4.992 -1.285 1.00 0.00 H new ATOM 527 N GLU A 34 1.353 -4.529 -0.119 1.00 0.00 N ATOM 528 CA GLU A 34 1.977 -3.566 0.792 1.00 0.00 C ATOM 529 C GLU A 34 2.814 -2.589 -0.015 1.00 0.00 C ATOM 530 O GLU A 34 2.819 -1.396 0.246 1.00 0.00 O ATOM 531 CB GLU A 34 2.869 -4.269 1.812 1.00 0.00 C ATOM 532 CG GLU A 34 3.538 -3.328 2.792 1.00 0.00 C ATOM 533 CD GLU A 34 4.456 -4.043 3.732 1.00 0.00 C ATOM 534 OE1 GLU A 34 3.981 -4.562 4.752 1.00 0.00 O ATOM 535 OE2 GLU A 34 5.674 -4.090 3.472 1.00 0.00 O ATOM 0 H GLU A 34 1.648 -5.495 0.024 1.00 0.00 H new ATOM 0 HA GLU A 34 1.189 -3.039 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.270 -4.991 2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.637 -4.832 1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.101 -2.574 2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.775 -2.801 3.364 1.00 0.00 H new ATOM 542 N GLU A 35 3.494 -3.115 -1.009 1.00 0.00 N ATOM 543 CA GLU A 35 4.302 -2.323 -1.913 1.00 0.00 C ATOM 544 C GLU A 35 3.472 -1.282 -2.649 1.00 0.00 C ATOM 545 O GLU A 35 3.942 -0.181 -2.894 1.00 0.00 O ATOM 546 CB GLU A 35 5.034 -3.228 -2.885 1.00 0.00 C ATOM 547 CG GLU A 35 6.125 -4.039 -2.223 1.00 0.00 C ATOM 548 CD GLU A 35 7.207 -3.148 -1.692 1.00 0.00 C ATOM 549 OE1 GLU A 35 7.986 -2.624 -2.506 1.00 0.00 O ATOM 550 OE2 GLU A 35 7.298 -2.941 -0.466 1.00 0.00 O ATOM 0 H GLU A 35 3.503 -4.114 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 35 5.037 -1.779 -1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.319 -3.904 -3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.469 -2.623 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.702 -4.629 -1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.547 -4.742 -2.941 1.00 0.00 H new ATOM 557 N ARG A 36 2.235 -1.635 -2.969 1.00 0.00 N ATOM 558 CA ARG A 36 1.322 -0.700 -3.616 1.00 0.00 C ATOM 559 C ARG A 36 0.836 0.303 -2.575 1.00 0.00 C ATOM 560 O ARG A 36 0.733 1.497 -2.828 1.00 0.00 O ATOM 561 CB ARG A 36 0.105 -1.425 -4.185 1.00 0.00 C ATOM 562 CG ARG A 36 -0.776 -0.521 -5.025 1.00 0.00 C ATOM 563 CD ARG A 36 -2.141 -1.116 -5.278 1.00 0.00 C ATOM 564 NE ARG A 36 -2.951 -1.194 -4.047 1.00 0.00 N ATOM 565 CZ ARG A 36 -3.887 -0.292 -3.686 1.00 0.00 C ATOM 566 NH1 ARG A 36 -4.039 0.837 -4.374 1.00 0.00 N ATOM 567 NH2 ARG A 36 -4.653 -0.525 -2.628 1.00 0.00 N ATOM 0 H ARG A 36 1.840 -2.559 -2.792 1.00 0.00 H new ATOM 0 HA ARG A 36 1.851 -0.205 -4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.440 -2.266 -4.793 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.483 -1.838 -3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.889 0.439 -4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.286 -0.326 -5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.666 -0.514 -6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.028 -2.114 -5.701 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.792 -1.986 -3.425 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.445 1.026 -5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.749 1.513 -4.094 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.533 -1.384 -2.091 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.362 0.155 -2.352 1.00 0.00 H new ATOM 581 N LEU A 37 0.543 -0.218 -1.401 1.00 0.00 N ATOM 582 CA LEU A 37 0.088 0.562 -0.269 1.00 0.00 C ATOM 583 C LEU A 37 1.063 1.638 0.098 1.00 0.00 C ATOM 584 O LEU A 37 0.664 2.752 0.329 1.00 0.00 O ATOM 585 CB LEU A 37 -0.193 -0.343 0.923 1.00 0.00 C ATOM 586 CG LEU A 37 -1.648 -0.741 1.156 1.00 0.00 C ATOM 587 CD1 LEU A 37 -2.414 0.444 1.684 1.00 0.00 C ATOM 588 CD2 LEU A 37 -2.299 -1.255 -0.126 1.00 0.00 C ATOM 0 H LEU A 37 0.616 -1.216 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.839 1.054 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.394 -1.254 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.171 0.155 1.821 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.669 -1.550 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.453 0.161 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.972 0.773 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.371 1.257 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.334 -1.529 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.272 -0.474 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.756 -2.129 -0.485 1.00 0.00 H new ATOM 600 N ARG A 38 2.346 1.308 0.097 1.00 0.00 N ATOM 601 CA ARG A 38 3.396 2.276 0.410 1.00 0.00 C ATOM 602 C ARG A 38 3.333 3.467 -0.526 1.00 0.00 C ATOM 603 O ARG A 38 3.460 4.604 -0.090 1.00 0.00 O ATOM 604 CB ARG A 38 4.789 1.648 0.356 1.00 0.00 C ATOM 605 CG ARG A 38 5.036 0.547 1.374 1.00 0.00 C ATOM 606 CD ARG A 38 4.750 1.016 2.791 1.00 0.00 C ATOM 607 NE ARG A 38 5.146 0.018 3.790 1.00 0.00 N ATOM 608 CZ ARG A 38 4.612 -0.106 5.009 1.00 0.00 C ATOM 609 NH1 ARG A 38 3.490 0.536 5.326 1.00 0.00 N ATOM 610 NH2 ARG A 38 5.170 -0.925 5.891 1.00 0.00 N ATOM 0 H ARG A 38 2.690 0.372 -0.118 1.00 0.00 H new ATOM 0 HA ARG A 38 3.218 2.614 1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.950 1.242 -0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.531 2.433 0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.406 -0.312 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.071 0.212 1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.283 1.948 2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.686 1.230 2.894 1.00 0.00 H new ATOM 0 HE ARG A 38 5.888 -0.633 3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.030 1.129 4.636 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.091 0.435 6.259 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.003 -1.457 5.638 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.766 -1.023 6.823 1.00 0.00 H new ATOM 624 N GLU A 39 3.053 3.197 -1.794 1.00 0.00 N ATOM 625 CA GLU A 39 2.943 4.234 -2.821 1.00 0.00 C ATOM 626 C GLU A 39 1.760 5.157 -2.506 1.00 0.00 C ATOM 627 O GLU A 39 1.762 6.350 -2.821 1.00 0.00 O ATOM 628 CB GLU A 39 2.724 3.587 -4.186 1.00 0.00 C ATOM 629 CG GLU A 39 3.771 2.554 -4.560 1.00 0.00 C ATOM 630 CD GLU A 39 3.501 1.923 -5.899 1.00 0.00 C ATOM 631 OE1 GLU A 39 2.586 1.084 -6.016 1.00 0.00 O ATOM 632 OE2 GLU A 39 4.214 2.253 -6.880 1.00 0.00 O ATOM 0 H GLU A 39 2.895 2.252 -2.144 1.00 0.00 H new ATOM 0 HA GLU A 39 3.865 4.816 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.742 3.114 -4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.711 4.367 -4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.754 3.026 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.801 1.778 -3.795 1.00 0.00 H new ATOM 639 N ARG A 40 0.763 4.598 -1.865 1.00 0.00 N ATOM 640 CA ARG A 40 -0.438 5.321 -1.512 1.00 0.00 C ATOM 641 C ARG A 40 -0.333 5.917 -0.104 1.00 0.00 C ATOM 642 O ARG A 40 -1.101 6.786 0.265 1.00 0.00 O ATOM 643 CB ARG A 40 -1.672 4.415 -1.676 1.00 0.00 C ATOM 644 CG ARG A 40 -1.808 3.850 -3.096 1.00 0.00 C ATOM 645 CD ARG A 40 -1.991 4.963 -4.120 1.00 0.00 C ATOM 646 NE ARG A 40 -1.835 4.500 -5.504 1.00 0.00 N ATOM 647 CZ ARG A 40 -2.141 5.227 -6.590 1.00 0.00 C ATOM 648 NH1 ARG A 40 -2.743 6.411 -6.461 1.00 0.00 N ATOM 649 NH2 ARG A 40 -1.849 4.765 -7.802 1.00 0.00 N ATOM 0 H ARG A 40 0.760 3.621 -1.571 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.556 6.162 -2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.609 3.590 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.569 4.982 -1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.921 3.267 -3.344 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.659 3.170 -3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.982 5.401 -3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.266 5.753 -3.923 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.468 3.560 -5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.973 6.768 -5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.973 6.959 -7.290 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.393 3.859 -7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.081 5.317 -8.628 1.00 0.00 H new ATOM 663 N GLU A 41 0.619 5.439 0.672 1.00 0.00 N ATOM 664 CA GLU A 41 0.885 5.984 1.996 1.00 0.00 C ATOM 665 C GLU A 41 1.837 7.163 1.892 1.00 0.00 C ATOM 666 O GLU A 41 1.781 8.092 2.686 1.00 0.00 O ATOM 667 CB GLU A 41 1.437 4.919 2.958 1.00 0.00 C ATOM 668 CG GLU A 41 0.457 3.797 3.274 1.00 0.00 C ATOM 669 CD GLU A 41 1.009 2.794 4.260 1.00 0.00 C ATOM 670 OE1 GLU A 41 0.741 2.922 5.479 1.00 0.00 O ATOM 671 OE2 GLU A 41 1.713 1.856 3.857 1.00 0.00 O ATOM 0 H GLU A 41 1.229 4.666 0.408 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.063 6.327 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.339 4.487 2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.730 5.403 3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.461 4.226 3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.191 3.283 2.350 1.00 0.00 H new ATOM 678 N GLN A 42 2.687 7.146 0.878 1.00 0.00 N ATOM 679 CA GLN A 42 3.613 8.254 0.642 1.00 0.00 C ATOM 680 C GLN A 42 2.933 9.304 -0.216 1.00 0.00 C ATOM 681 O GLN A 42 3.378 10.439 -0.296 1.00 0.00 O ATOM 682 CB GLN A 42 4.892 7.767 -0.052 1.00 0.00 C ATOM 683 CG GLN A 42 4.650 7.166 -1.427 1.00 0.00 C ATOM 684 CD GLN A 42 5.896 6.636 -2.095 1.00 0.00 C ATOM 685 OE1 GLN A 42 5.833 5.672 -2.851 1.00 0.00 O ATOM 686 NE2 GLN A 42 7.017 7.269 -1.865 1.00 0.00 N ATOM 0 H GLN A 42 2.759 6.383 0.205 1.00 0.00 H new ATOM 0 HA GLN A 42 3.891 8.684 1.604 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.584 8.604 -0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.377 7.023 0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.927 6.356 -1.336 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.200 7.923 -2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.031 8.067 -1.230 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.877 6.965 -2.321 1.00 0.00 H new ATOM 695 N GLY A 43 1.842 8.909 -0.829 1.00 0.00 N ATOM 696 CA GLY A 43 1.076 9.793 -1.653 1.00 0.00 C ATOM 697 C GLY A 43 -0.327 9.883 -1.138 1.00 0.00 C ATOM 698 O GLY A 43 -1.288 9.942 -1.908 1.00 0.00 O ATOM 0 H GLY A 43 1.466 7.963 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.533 10.782 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.072 9.433 -2.682 1.00 0.00 H new ATOM 702 N ARG A 44 -0.454 9.872 0.183 1.00 0.00 N ATOM 703 CA ARG A 44 -1.765 9.904 0.822 1.00 0.00 C ATOM 704 C ARG A 44 -2.300 11.319 0.867 1.00 0.00 C ATOM 705 O ARG A 44 -3.494 11.548 1.056 1.00 0.00 O ATOM 706 CB ARG A 44 -1.727 9.252 2.214 1.00 0.00 C ATOM 707 CG ARG A 44 -0.852 9.947 3.246 1.00 0.00 C ATOM 708 CD ARG A 44 -0.734 9.100 4.508 1.00 0.00 C ATOM 709 NE ARG A 44 -2.043 8.769 5.083 1.00 0.00 N ATOM 710 CZ ARG A 44 -2.298 7.695 5.849 1.00 0.00 C ATOM 711 NH1 ARG A 44 -1.320 6.852 6.171 1.00 0.00 N ATOM 712 NH2 ARG A 44 -3.526 7.481 6.303 1.00 0.00 N ATOM 0 H ARG A 44 0.332 9.841 0.832 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.455 9.312 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.745 9.205 2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.380 8.224 2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.139 10.127 2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.275 10.920 3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.199 8.179 4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.140 9.636 5.248 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.818 9.402 4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.371 7.020 5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.519 6.038 6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.276 8.132 6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.720 6.666 6.885 1.00 0.00 H new ATOM 726 N GLY A 45 -1.408 12.252 0.695 1.00 0.00 N ATOM 727 CA GLY A 45 -1.769 13.619 0.583 1.00 0.00 C ATOM 728 C GLY A 45 -1.299 14.090 -0.748 1.00 0.00 C ATOM 729 O GLY A 45 -1.735 13.571 -1.784 1.00 0.00 O ATOM 0 H GLY A 45 -0.406 12.075 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.848 13.741 0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.313 14.204 1.381 1.00 0.00 H new ATOM 733 N GLU A 46 -0.394 15.006 -0.744 1.00 0.00 N ATOM 734 CA GLU A 46 0.215 15.464 -1.940 1.00 0.00 C ATOM 735 C GLU A 46 1.575 16.009 -1.582 1.00 0.00 C ATOM 736 O GLU A 46 1.717 16.727 -0.590 1.00 0.00 O ATOM 737 CB GLU A 46 -0.661 16.500 -2.640 1.00 0.00 C ATOM 738 CG GLU A 46 -0.135 16.938 -3.985 1.00 0.00 C ATOM 739 CD GLU A 46 -1.131 17.754 -4.742 1.00 0.00 C ATOM 740 OE1 GLU A 46 -1.329 18.939 -4.405 1.00 0.00 O ATOM 741 OE2 GLU A 46 -1.723 17.237 -5.714 1.00 0.00 O ATOM 0 H GLU A 46 -0.053 15.463 0.102 1.00 0.00 H new ATOM 0 HA GLU A 46 0.331 14.645 -2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.662 16.087 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.757 17.374 -1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.777 17.519 -3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.134 16.060 -4.572 1.00 0.00 H new ATOM 748 N ASP A 47 2.559 15.617 -2.323 1.00 0.00 N ATOM 749 CA ASP A 47 3.907 15.997 -2.107 1.00 0.00 C ATOM 750 C ASP A 47 4.540 16.102 -3.460 1.00 0.00 C ATOM 751 O ASP A 47 3.891 15.788 -4.470 1.00 0.00 O ATOM 752 CB ASP A 47 4.643 14.951 -1.239 1.00 0.00 C ATOM 753 CG ASP A 47 4.775 13.578 -1.892 1.00 0.00 C ATOM 754 OD1 ASP A 47 5.920 13.156 -2.202 1.00 0.00 O ATOM 755 OD2 ASP A 47 3.737 12.896 -2.095 1.00 0.00 O ATOM 0 H ASP A 47 2.436 14.999 -3.125 1.00 0.00 H new ATOM 0 HA ASP A 47 3.964 16.945 -1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.639 15.326 -1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.112 14.842 -0.293 1.00 0.00 H new ATOM 760 N VAL A 48 5.757 16.526 -3.507 1.00 0.00 N ATOM 761 CA VAL A 48 6.430 16.709 -4.771 1.00 0.00 C ATOM 762 C VAL A 48 7.037 15.392 -5.228 1.00 0.00 C ATOM 763 O VAL A 48 8.192 15.061 -4.906 1.00 0.00 O ATOM 764 CB VAL A 48 7.510 17.831 -4.734 1.00 0.00 C ATOM 765 CG1 VAL A 48 8.102 18.070 -6.124 1.00 0.00 C ATOM 766 CG2 VAL A 48 6.926 19.125 -4.180 1.00 0.00 C ATOM 0 H VAL A 48 6.318 16.756 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 48 5.678 17.036 -5.489 1.00 0.00 H new ATOM 0 HB VAL A 48 8.311 17.500 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.853 18.858 -6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.565 17.152 -6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.310 18.371 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.698 19.895 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.101 19.452 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.561 18.955 -3.167 1.00 0.00 H new ATOM 776 N ASP A 49 6.227 14.619 -5.883 1.00 0.00 N ATOM 777 CA ASP A 49 6.626 13.343 -6.429 1.00 0.00 C ATOM 778 C ASP A 49 7.043 13.534 -7.855 1.00 0.00 C ATOM 779 O ASP A 49 8.249 13.488 -8.144 1.00 0.00 O ATOM 780 CB ASP A 49 5.486 12.322 -6.322 1.00 0.00 C ATOM 781 CG ASP A 49 5.808 11.000 -6.988 1.00 0.00 C ATOM 782 OD1 ASP A 49 5.310 10.749 -8.109 1.00 0.00 O ATOM 783 OD2 ASP A 49 6.565 10.185 -6.415 1.00 0.00 O ATOM 784 OXT ASP A 49 6.173 13.842 -8.697 1.00 0.00 O ATOM 0 H ASP A 49 5.251 14.855 -6.061 1.00 0.00 H new ATOM 0 HA ASP A 49 7.467 12.951 -5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.261 12.147 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.587 12.741 -6.775 1.00 0.00 H new TER 789 ASP A 49