USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 383 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.113 (180deg=-0.113) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.11) USER MOD Single : A 26 GLN :FLIP amide:sc= -2 F(o=-2.8!,f=-2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.46) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.173 F(o=-0.76,f=-0.17) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -16.302 7.706 -2.758 1.00 0.00 N HETATM 2 CA PCA A 1 -15.844 8.750 -1.842 1.00 0.00 C HETATM 3 CB PCA A 1 -17.078 9.333 -1.180 1.00 0.00 C HETATM 4 CG PCA A 1 -18.264 8.607 -1.780 1.00 0.00 C HETATM 5 CD PCA A 1 -17.635 7.622 -2.759 1.00 0.00 C HETATM 6 OE PCA A 1 -18.295 6.852 -3.444 1.00 0.00 O HETATM 7 C PCA A 1 -14.913 8.183 -0.787 1.00 0.00 C HETATM 8 O PCA A 1 -14.219 8.923 -0.075 1.00 0.00 O HETATM 0 H2 PCA A 1 -16.937 8.122 -3.469 1.00 0.00 H new HETATM 0 HA PCA A 1 -15.289 9.512 -2.389 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -17.042 9.193 -0.100 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -17.146 10.406 -1.361 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -18.846 8.093 -1.015 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -18.940 9.296 -2.286 1.00 0.00 H new ATOM 15 N ARG A 2 -14.895 6.873 -0.683 1.00 0.00 N ATOM 16 CA ARG A 2 -14.032 6.211 0.266 1.00 0.00 C ATOM 17 C ARG A 2 -12.649 6.098 -0.325 1.00 0.00 C ATOM 18 O ARG A 2 -12.502 5.951 -1.543 1.00 0.00 O ATOM 19 CB ARG A 2 -14.570 4.831 0.633 1.00 0.00 C ATOM 20 CG ARG A 2 -15.942 4.860 1.284 1.00 0.00 C ATOM 21 CD ARG A 2 -16.415 3.467 1.647 1.00 0.00 C ATOM 22 NE ARG A 2 -16.538 2.585 0.476 1.00 0.00 N ATOM 23 CZ ARG A 2 -16.882 1.287 0.533 1.00 0.00 C ATOM 24 NH1 ARG A 2 -17.079 0.691 1.715 1.00 0.00 N ATOM 25 NH2 ARG A 2 -16.991 0.581 -0.582 1.00 0.00 N ATOM 0 H ARG A 2 -15.470 6.245 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.994 6.801 1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -14.619 4.219 -0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -13.867 4.346 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -15.907 5.479 2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -16.658 5.323 0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -15.717 3.025 2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -17.380 3.535 2.148 1.00 0.00 H new ATOM 0 HE ARG A 2 -16.349 2.986 -0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -16.968 1.222 2.579 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -17.340 -0.294 1.752 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.814 1.022 -1.484 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -17.252 -0.404 -0.538 1.00 0.00 H new ATOM 39 N GLY A 3 -11.652 6.213 0.501 1.00 0.00 N ATOM 40 CA GLY A 3 -10.301 6.131 0.038 1.00 0.00 C ATOM 41 C GLY A 3 -9.415 5.436 1.031 1.00 0.00 C ATOM 42 O GLY A 3 -8.252 5.792 1.179 1.00 0.00 O ATOM 0 H GLY A 3 -11.751 6.365 1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -10.273 5.596 -0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.919 7.134 -0.150 1.00 0.00 H new ATOM 46 N SER A 4 -9.966 4.463 1.731 1.00 0.00 N ATOM 47 CA SER A 4 -9.208 3.697 2.698 1.00 0.00 C ATOM 48 C SER A 4 -8.202 2.799 1.997 1.00 0.00 C ATOM 49 O SER A 4 -8.578 1.961 1.160 1.00 0.00 O ATOM 50 CB SER A 4 -10.125 2.852 3.593 1.00 0.00 C ATOM 51 OG SER A 4 -9.368 1.991 4.446 1.00 0.00 O ATOM 0 H SER A 4 -10.943 4.184 1.646 1.00 0.00 H new ATOM 0 HA SER A 4 -8.676 4.407 3.331 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.751 3.508 4.198 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.794 2.256 2.972 1.00 0.00 H new ATOM 0 HG SER A 4 -9.978 1.466 5.006 1.00 0.00 H new ATOM 57 N PRO A 5 -6.916 2.951 2.321 1.00 0.00 N ATOM 58 CA PRO A 5 -5.874 2.135 1.739 1.00 0.00 C ATOM 59 C PRO A 5 -5.906 0.721 2.292 1.00 0.00 C ATOM 60 O PRO A 5 -5.539 -0.242 1.605 1.00 0.00 O ATOM 61 CB PRO A 5 -4.583 2.840 2.167 1.00 0.00 C ATOM 62 CG PRO A 5 -4.935 3.567 3.411 1.00 0.00 C ATOM 63 CD PRO A 5 -6.374 3.957 3.270 1.00 0.00 C ATOM 0 HA PRO A 5 -5.978 2.038 0.658 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.782 2.123 2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -4.233 3.526 1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.786 2.936 4.287 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.304 4.446 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.894 3.926 4.228 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.479 4.971 2.883 1.00 0.00 H new ATOM 71 N ARG A 6 -6.408 0.580 3.514 1.00 0.00 N ATOM 72 CA ARG A 6 -6.375 -0.703 4.139 1.00 0.00 C ATOM 73 C ARG A 6 -7.547 -1.551 3.692 1.00 0.00 C ATOM 74 O ARG A 6 -7.446 -2.755 3.656 1.00 0.00 O ATOM 75 CB ARG A 6 -6.251 -0.638 5.667 1.00 0.00 C ATOM 76 CG ARG A 6 -5.972 -2.011 6.264 1.00 0.00 C ATOM 77 CD ARG A 6 -5.716 -1.998 7.749 1.00 0.00 C ATOM 78 NE ARG A 6 -5.401 -3.355 8.212 1.00 0.00 N ATOM 79 CZ ARG A 6 -4.862 -3.683 9.387 1.00 0.00 C ATOM 80 NH1 ARG A 6 -4.637 -2.759 10.311 1.00 0.00 N ATOM 81 NH2 ARG A 6 -4.569 -4.947 9.636 1.00 0.00 N ATOM 0 H ARG A 6 -6.829 1.327 4.066 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.459 -1.190 3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.449 0.048 5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.171 -0.236 6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.821 -2.663 6.059 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.108 -2.445 5.761 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.890 -1.325 7.979 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.592 -1.619 8.275 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.615 -4.121 7.573 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.877 -1.785 10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.224 -3.022 11.206 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.755 -5.662 8.933 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.156 -5.208 10.532 1.00 0.00 H new ATOM 95 N ALA A 7 -8.642 -0.909 3.301 1.00 0.00 N ATOM 96 CA ALA A 7 -9.803 -1.629 2.776 1.00 0.00 C ATOM 97 C ALA A 7 -9.389 -2.473 1.575 1.00 0.00 C ATOM 98 O ALA A 7 -9.698 -3.662 1.494 1.00 0.00 O ATOM 99 CB ALA A 7 -10.890 -0.655 2.374 1.00 0.00 C ATOM 0 H ALA A 7 -8.753 0.104 3.336 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.193 -2.283 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.747 -1.206 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.197 -0.073 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.510 0.016 1.603 1.00 0.00 H new ATOM 105 N GLU A 8 -8.629 -1.851 0.683 1.00 0.00 N ATOM 106 CA GLU A 8 -8.113 -2.508 -0.505 1.00 0.00 C ATOM 107 C GLU A 8 -7.129 -3.603 -0.096 1.00 0.00 C ATOM 108 O GLU A 8 -7.147 -4.711 -0.625 1.00 0.00 O ATOM 109 CB GLU A 8 -7.379 -1.495 -1.369 1.00 0.00 C ATOM 110 CG GLU A 8 -8.172 -0.246 -1.689 1.00 0.00 C ATOM 111 CD GLU A 8 -7.411 0.688 -2.588 1.00 0.00 C ATOM 112 OE1 GLU A 8 -8.032 1.339 -3.459 1.00 0.00 O ATOM 113 OE2 GLU A 8 -6.166 0.773 -2.466 1.00 0.00 O ATOM 0 H GLU A 8 -8.353 -0.872 0.766 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.944 -2.941 -1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.458 -1.205 -0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.091 -1.976 -2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.111 -0.525 -2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.427 0.269 -0.763 1.00 0.00 H new ATOM 120 N TYR A 9 -6.293 -3.266 0.872 1.00 0.00 N ATOM 121 CA TYR A 9 -5.258 -4.144 1.405 1.00 0.00 C ATOM 122 C TYR A 9 -5.855 -5.439 1.982 1.00 0.00 C ATOM 123 O TYR A 9 -5.374 -6.544 1.682 1.00 0.00 O ATOM 124 CB TYR A 9 -4.496 -3.379 2.485 1.00 0.00 C ATOM 125 CG TYR A 9 -3.380 -4.121 3.172 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.645 -4.955 4.245 1.00 0.00 C ATOM 127 CD2 TYR A 9 -2.066 -3.966 2.767 1.00 0.00 C ATOM 128 CE1 TYR A 9 -2.647 -5.616 4.898 1.00 0.00 C ATOM 129 CE2 TYR A 9 -1.046 -4.625 3.409 1.00 0.00 C ATOM 130 CZ TYR A 9 -1.334 -5.454 4.481 1.00 0.00 C ATOM 131 OH TYR A 9 -0.309 -6.110 5.142 1.00 0.00 O ATOM 0 H TYR A 9 -6.314 -2.351 1.322 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.585 -4.438 0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.080 -2.477 2.036 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.210 -3.057 3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.666 -5.085 4.572 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.839 -3.317 1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.877 -6.261 5.733 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.025 -4.498 3.080 1.00 0.00 H new ATOM 0 HH TYR A 9 0.547 -5.887 4.721 1.00 0.00 H new ATOM 141 N GLU A 10 -6.879 -5.297 2.806 1.00 0.00 N ATOM 142 CA GLU A 10 -7.536 -6.432 3.418 1.00 0.00 C ATOM 143 C GLU A 10 -8.127 -7.337 2.347 1.00 0.00 C ATOM 144 O GLU A 10 -7.891 -8.529 2.357 1.00 0.00 O ATOM 145 CB GLU A 10 -8.634 -5.991 4.372 1.00 0.00 C ATOM 146 CG GLU A 10 -8.194 -5.086 5.505 1.00 0.00 C ATOM 147 CD GLU A 10 -7.277 -5.757 6.481 1.00 0.00 C ATOM 148 OE1 GLU A 10 -7.731 -6.669 7.212 1.00 0.00 O ATOM 149 OE2 GLU A 10 -6.109 -5.367 6.575 1.00 0.00 O ATOM 0 H GLU A 10 -7.275 -4.394 3.067 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.786 -6.980 3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.404 -5.476 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.097 -6.880 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.693 -4.212 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.075 -4.725 6.035 1.00 0.00 H new ATOM 156 N VAL A 11 -8.855 -6.748 1.393 1.00 0.00 N ATOM 157 CA VAL A 11 -9.462 -7.509 0.285 1.00 0.00 C ATOM 158 C VAL A 11 -8.380 -8.224 -0.527 1.00 0.00 C ATOM 159 O VAL A 11 -8.529 -9.394 -0.898 1.00 0.00 O ATOM 160 CB VAL A 11 -10.306 -6.591 -0.644 1.00 0.00 C ATOM 161 CG1 VAL A 11 -10.876 -7.365 -1.831 1.00 0.00 C ATOM 162 CG2 VAL A 11 -11.432 -5.959 0.141 1.00 0.00 C ATOM 0 H VAL A 11 -9.041 -5.746 1.362 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.130 -8.251 0.722 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.647 -5.814 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.460 -6.691 -2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.059 -7.788 -2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.516 -8.169 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.019 -5.317 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.072 -6.740 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.019 -5.363 0.955 1.00 0.00 H new ATOM 172 N CYS A 12 -7.288 -7.520 -0.743 1.00 0.00 N ATOM 173 CA CYS A 12 -6.117 -8.019 -1.445 1.00 0.00 C ATOM 174 C CYS A 12 -5.642 -9.346 -0.848 1.00 0.00 C ATOM 175 O CYS A 12 -5.472 -10.350 -1.563 1.00 0.00 O ATOM 176 CB CYS A 12 -5.006 -6.965 -1.350 1.00 0.00 C ATOM 177 SG CYS A 12 -3.414 -7.405 -2.108 1.00 0.00 S ATOM 0 H CYS A 12 -7.185 -6.556 -0.427 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.373 -8.201 -2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.365 -6.047 -1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.834 -6.743 -0.297 1.00 0.00 H new ATOM 182 N ARG A 13 -5.476 -9.373 0.461 1.00 0.00 N ATOM 183 CA ARG A 13 -4.999 -10.566 1.121 1.00 0.00 C ATOM 184 C ARG A 13 -6.139 -11.564 1.334 1.00 0.00 C ATOM 185 O ARG A 13 -5.919 -12.764 1.340 1.00 0.00 O ATOM 186 CB ARG A 13 -4.279 -10.223 2.437 1.00 0.00 C ATOM 187 CG ARG A 13 -5.162 -9.643 3.536 1.00 0.00 C ATOM 188 CD ARG A 13 -4.335 -9.161 4.713 1.00 0.00 C ATOM 189 NE ARG A 13 -3.432 -10.201 5.224 1.00 0.00 N ATOM 190 CZ ARG A 13 -2.454 -9.995 6.118 1.00 0.00 C ATOM 191 NH1 ARG A 13 -2.335 -8.825 6.721 1.00 0.00 N ATOM 192 NH2 ARG A 13 -1.621 -10.981 6.428 1.00 0.00 N ATOM 0 H ARG A 13 -5.664 -8.586 1.082 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.266 -11.045 0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.803 -11.127 2.817 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.483 -9.510 2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.746 -8.814 3.136 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.871 -10.400 3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.751 -8.292 4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.000 -8.836 5.513 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.558 -11.150 4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.989 -8.072 6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.589 -8.675 7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.725 -11.894 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.877 -10.825 7.108 1.00 0.00 H new ATOM 206 N LEU A 14 -7.356 -11.046 1.475 1.00 0.00 N ATOM 207 CA LEU A 14 -8.557 -11.857 1.664 1.00 0.00 C ATOM 208 C LEU A 14 -8.776 -12.773 0.477 1.00 0.00 C ATOM 209 O LEU A 14 -9.029 -13.956 0.663 1.00 0.00 O ATOM 210 CB LEU A 14 -9.788 -10.968 1.895 1.00 0.00 C ATOM 211 CG LEU A 14 -11.129 -11.679 2.131 1.00 0.00 C ATOM 212 CD1 LEU A 14 -11.061 -12.586 3.353 1.00 0.00 C ATOM 213 CD2 LEU A 14 -12.241 -10.655 2.293 1.00 0.00 C ATOM 0 H LEU A 14 -7.539 -10.043 1.461 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.412 -12.473 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.588 -10.329 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.900 -10.313 1.031 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.343 -12.301 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.024 -13.076 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.288 -13.340 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.822 -11.991 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.188 -11.169 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.022 -10.012 3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.312 -10.049 1.390 1.00 0.00 H new ATOM 225 N ARG A 15 -8.637 -12.228 -0.742 1.00 0.00 N ATOM 226 CA ARG A 15 -8.762 -13.030 -1.970 1.00 0.00 C ATOM 227 C ARG A 15 -7.835 -14.226 -1.908 1.00 0.00 C ATOM 228 O ARG A 15 -8.242 -15.370 -2.140 1.00 0.00 O ATOM 229 CB ARG A 15 -8.424 -12.218 -3.228 1.00 0.00 C ATOM 230 CG ARG A 15 -9.393 -11.108 -3.580 1.00 0.00 C ATOM 231 CD ARG A 15 -8.954 -10.421 -4.866 1.00 0.00 C ATOM 232 NE ARG A 15 -9.880 -9.366 -5.287 1.00 0.00 N ATOM 233 CZ ARG A 15 -9.697 -8.547 -6.336 1.00 0.00 C ATOM 234 NH1 ARG A 15 -8.610 -8.658 -7.101 1.00 0.00 N ATOM 235 NH2 ARG A 15 -10.613 -7.627 -6.621 1.00 0.00 N ATOM 0 H ARG A 15 -8.439 -11.241 -0.904 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.801 -13.352 -2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.433 -11.782 -3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.364 -12.903 -4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.397 -11.515 -3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.438 -10.383 -2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.962 -9.993 -4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.870 -11.163 -5.660 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.732 -9.244 -4.740 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.909 -9.369 -6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.479 -8.032 -7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.450 -7.545 -6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.479 -7.003 -7.416 1.00 0.00 H new ATOM 249 N CYS A 16 -6.607 -13.961 -1.526 1.00 0.00 N ATOM 250 CA CYS A 16 -5.602 -14.981 -1.430 1.00 0.00 C ATOM 251 C CYS A 16 -5.867 -15.946 -0.299 1.00 0.00 C ATOM 252 O CYS A 16 -5.535 -17.088 -0.414 1.00 0.00 O ATOM 253 CB CYS A 16 -4.228 -14.371 -1.302 1.00 0.00 C ATOM 254 SG CYS A 16 -3.756 -13.358 -2.728 1.00 0.00 S ATOM 0 H CYS A 16 -6.281 -13.028 -1.274 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.644 -15.555 -2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.193 -13.757 -0.402 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.495 -15.168 -1.173 1.00 0.00 H new ATOM 259 N GLN A 17 -6.486 -15.484 0.786 1.00 0.00 N ATOM 260 CA GLN A 17 -6.804 -16.367 1.907 1.00 0.00 C ATOM 261 C GLN A 17 -7.954 -17.296 1.571 1.00 0.00 C ATOM 262 O GLN A 17 -8.085 -18.369 2.149 1.00 0.00 O ATOM 263 CB GLN A 17 -7.102 -15.603 3.193 1.00 0.00 C ATOM 264 CG GLN A 17 -5.917 -14.850 3.756 1.00 0.00 C ATOM 265 CD GLN A 17 -6.218 -14.243 5.103 1.00 0.00 C ATOM 266 OE1 GLN A 17 -6.004 -14.873 6.142 1.00 0.00 O ATOM 267 NE2 GLN A 17 -6.722 -13.041 5.106 1.00 0.00 N ATOM 0 H GLN A 17 -6.775 -14.514 0.913 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.910 -16.965 2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.910 -14.897 3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.462 -16.306 3.945 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.067 -15.527 3.846 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.625 -14.063 3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.884 -12.554 4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.955 -12.588 5.990 1.00 0.00 H new ATOM 276 N VAL A 18 -8.793 -16.878 0.662 1.00 0.00 N ATOM 277 CA VAL A 18 -9.874 -17.719 0.210 1.00 0.00 C ATOM 278 C VAL A 18 -9.332 -18.720 -0.810 1.00 0.00 C ATOM 279 O VAL A 18 -9.561 -19.932 -0.701 1.00 0.00 O ATOM 280 CB VAL A 18 -11.033 -16.889 -0.414 1.00 0.00 C ATOM 281 CG1 VAL A 18 -12.155 -17.792 -0.906 1.00 0.00 C ATOM 282 CG2 VAL A 18 -11.575 -15.893 0.597 1.00 0.00 C ATOM 0 H VAL A 18 -8.751 -15.960 0.218 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.284 -18.246 1.072 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.631 -16.347 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.950 -17.183 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.768 -18.473 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.552 -18.368 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.385 -15.320 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.951 -16.428 1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.778 -15.215 0.903 1.00 0.00 H new ATOM 292 N ALA A 19 -8.570 -18.212 -1.760 1.00 0.00 N ATOM 293 CA ALA A 19 -8.000 -19.028 -2.821 1.00 0.00 C ATOM 294 C ALA A 19 -6.952 -20.010 -2.288 1.00 0.00 C ATOM 295 O ALA A 19 -7.031 -21.222 -2.533 1.00 0.00 O ATOM 296 CB ALA A 19 -7.375 -18.126 -3.880 1.00 0.00 C ATOM 0 H ALA A 19 -8.327 -17.223 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.806 -19.615 -3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.948 -18.739 -4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.140 -17.471 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.589 -17.522 -3.426 1.00 0.00 H new ATOM 302 N GLU A 20 -6.025 -19.500 -1.531 1.00 0.00 N ATOM 303 CA GLU A 20 -4.905 -20.264 -1.030 1.00 0.00 C ATOM 304 C GLU A 20 -4.952 -20.278 0.489 1.00 0.00 C ATOM 305 O GLU A 20 -5.445 -19.341 1.103 1.00 0.00 O ATOM 306 CB GLU A 20 -3.593 -19.575 -1.441 1.00 0.00 C ATOM 307 CG GLU A 20 -3.402 -19.331 -2.934 1.00 0.00 C ATOM 308 CD GLU A 20 -3.371 -20.593 -3.747 1.00 0.00 C ATOM 309 OE1 GLU A 20 -2.584 -21.502 -3.429 1.00 0.00 O ATOM 310 OE2 GLU A 20 -4.090 -20.679 -4.761 1.00 0.00 O ATOM 0 H GLU A 20 -6.020 -18.524 -1.235 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.954 -21.275 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.533 -18.616 -0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.761 -20.181 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.209 -18.694 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.471 -18.785 -3.089 1.00 0.00 H new ATOM 317 N ARG A 21 -4.449 -21.310 1.097 1.00 0.00 N ATOM 318 CA ARG A 21 -4.342 -21.309 2.534 1.00 0.00 C ATOM 319 C ARG A 21 -2.903 -21.535 2.942 1.00 0.00 C ATOM 320 O ARG A 21 -2.594 -21.836 4.099 1.00 0.00 O ATOM 321 CB ARG A 21 -5.311 -22.289 3.213 1.00 0.00 C ATOM 322 CG ARG A 21 -5.088 -23.768 2.957 1.00 0.00 C ATOM 323 CD ARG A 21 -6.092 -24.576 3.768 1.00 0.00 C ATOM 324 NE ARG A 21 -6.011 -24.236 5.205 1.00 0.00 N ATOM 325 CZ ARG A 21 -7.054 -24.157 6.055 1.00 0.00 C ATOM 326 NH1 ARG A 21 -8.263 -24.563 5.681 1.00 0.00 N ATOM 327 NH2 ARG A 21 -6.865 -23.704 7.292 1.00 0.00 N ATOM 0 H ARG A 21 -4.110 -22.153 0.634 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.649 -20.326 2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.264 -22.121 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.323 -22.039 2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.201 -23.986 1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.071 -24.047 3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.100 -24.383 3.401 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.902 -25.641 3.632 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.085 -24.044 5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.408 -24.938 4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.046 -24.499 6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.934 -23.418 7.594 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.652 -23.643 7.938 1.00 0.00 H new ATOM 341 N GLY A 22 -2.019 -21.358 1.980 1.00 0.00 N ATOM 342 CA GLY A 22 -0.614 -21.469 2.223 1.00 0.00 C ATOM 343 C GLY A 22 -0.062 -20.153 2.702 1.00 0.00 C ATOM 344 O GLY A 22 -0.409 -19.102 2.156 1.00 0.00 O ATOM 0 H GLY A 22 -2.264 -21.134 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.427 -22.243 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.103 -21.775 1.310 1.00 0.00 H new ATOM 348 N VAL A 23 0.816 -20.216 3.678 1.00 0.00 N ATOM 349 CA VAL A 23 1.366 -19.040 4.338 1.00 0.00 C ATOM 350 C VAL A 23 2.118 -18.143 3.347 1.00 0.00 C ATOM 351 O VAL A 23 1.809 -16.959 3.218 1.00 0.00 O ATOM 352 CB VAL A 23 2.325 -19.443 5.497 1.00 0.00 C ATOM 353 CG1 VAL A 23 2.765 -18.229 6.286 1.00 0.00 C ATOM 354 CG2 VAL A 23 1.682 -20.470 6.417 1.00 0.00 C ATOM 0 H VAL A 23 1.177 -21.096 4.045 1.00 0.00 H new ATOM 0 HA VAL A 23 0.524 -18.483 4.749 1.00 0.00 H new ATOM 0 HB VAL A 23 3.207 -19.898 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.434 -18.540 7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.287 -17.536 5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.891 -17.736 6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.378 -20.730 7.215 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.773 -20.052 6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.434 -21.365 5.846 1.00 0.00 H new ATOM 364 N GLU A 24 3.055 -18.727 2.616 1.00 0.00 N ATOM 365 CA GLU A 24 3.896 -17.982 1.678 1.00 0.00 C ATOM 366 C GLU A 24 3.073 -17.317 0.586 1.00 0.00 C ATOM 367 O GLU A 24 3.331 -16.176 0.226 1.00 0.00 O ATOM 368 CB GLU A 24 4.949 -18.884 1.056 1.00 0.00 C ATOM 369 CG GLU A 24 5.951 -19.437 2.044 1.00 0.00 C ATOM 370 CD GLU A 24 6.791 -18.360 2.680 1.00 0.00 C ATOM 371 OE1 GLU A 24 6.515 -17.963 3.822 1.00 0.00 O ATOM 372 OE2 GLU A 24 7.768 -17.891 2.047 1.00 0.00 O ATOM 0 H GLU A 24 3.257 -19.726 2.652 1.00 0.00 H new ATOM 0 HA GLU A 24 4.394 -17.199 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.451 -19.715 0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.483 -18.325 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.423 -19.988 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.602 -20.148 1.536 1.00 0.00 H new ATOM 379 N GLN A 25 2.073 -18.025 0.081 1.00 0.00 N ATOM 380 CA GLN A 25 1.197 -17.492 -0.964 1.00 0.00 C ATOM 381 C GLN A 25 0.476 -16.234 -0.489 1.00 0.00 C ATOM 382 O GLN A 25 0.467 -15.207 -1.179 1.00 0.00 O ATOM 383 CB GLN A 25 0.174 -18.537 -1.413 1.00 0.00 C ATOM 384 CG GLN A 25 0.771 -19.757 -2.096 1.00 0.00 C ATOM 385 CD GLN A 25 1.536 -19.409 -3.350 1.00 0.00 C ATOM 386 OE1 GLN A 25 0.965 -19.358 -4.437 1.00 0.00 O ATOM 387 NE2 GLN A 25 2.823 -19.217 -3.225 1.00 0.00 N ATOM 0 H GLN A 25 1.844 -18.974 0.376 1.00 0.00 H new ATOM 0 HA GLN A 25 1.828 -17.233 -1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.395 -18.866 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.532 -18.064 -2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.436 -20.268 -1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.028 -20.456 -2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.259 -19.268 -2.304 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.391 -19.016 -4.048 1.00 0.00 H new ATOM 396 N GLN A 26 -0.076 -16.304 0.704 1.00 0.00 N ATOM 397 CA GLN A 26 -0.819 -15.190 1.283 1.00 0.00 C ATOM 398 C GLN A 26 0.138 -14.055 1.638 1.00 0.00 C ATOM 399 O GLN A 26 -0.213 -12.877 1.518 1.00 0.00 O ATOM 400 CB GLN A 26 -1.583 -15.665 2.511 1.00 0.00 C ATOM 401 CG GLN A 26 -2.482 -16.861 2.233 1.00 0.00 C ATOM 402 CD GLN A 26 -3.133 -17.407 3.479 1.00 0.00 C ATOM 403 OE1 GLN A 26 -4.248 -18.058 3.319 1.00 0.00 O flip ATOM 404 NE2 GLN A 26 -2.594 -17.296 4.583 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.026 -17.128 1.303 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.538 -14.814 0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.872 -15.928 3.294 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.189 -14.844 2.894 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.256 -16.570 1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.895 -17.649 1.761 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.720 -16.779 4.674 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.023 -17.722 5.405 1.00 0.00 H new ATOM 413 N ARG A 27 1.353 -14.420 2.042 1.00 0.00 N ATOM 414 CA ARG A 27 2.401 -13.451 2.338 1.00 0.00 C ATOM 415 C ARG A 27 2.776 -12.651 1.113 1.00 0.00 C ATOM 416 O ARG A 27 2.917 -11.443 1.178 1.00 0.00 O ATOM 417 CB ARG A 27 3.641 -14.111 2.919 1.00 0.00 C ATOM 418 CG ARG A 27 3.495 -14.550 4.348 1.00 0.00 C ATOM 419 CD ARG A 27 4.764 -15.194 4.845 1.00 0.00 C ATOM 420 NE ARG A 27 4.734 -15.414 6.290 1.00 0.00 N ATOM 421 CZ ARG A 27 5.584 -16.187 6.966 1.00 0.00 C ATOM 422 NH1 ARG A 27 6.383 -17.039 6.318 1.00 0.00 N ATOM 423 NH2 ARG A 27 5.575 -16.170 8.293 1.00 0.00 N ATOM 0 H ARG A 27 1.636 -15.391 2.172 1.00 0.00 H new ATOM 0 HA ARG A 27 1.991 -12.775 3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.897 -14.978 2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.476 -13.414 2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.249 -13.692 4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.667 -15.254 4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.911 -16.146 4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.615 -14.562 4.592 1.00 0.00 H new ATOM 0 HE ARG A 27 4.006 -14.939 6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.345 -17.101 5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.031 -17.628 6.841 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.920 -15.567 8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.223 -16.760 8.815 1.00 0.00 H new ATOM 437 N LYS A 28 2.907 -13.317 -0.016 1.00 0.00 N ATOM 438 CA LYS A 28 3.241 -12.630 -1.251 1.00 0.00 C ATOM 439 C LYS A 28 2.147 -11.641 -1.609 1.00 0.00 C ATOM 440 O LYS A 28 2.423 -10.532 -2.083 1.00 0.00 O ATOM 441 CB LYS A 28 3.502 -13.620 -2.384 1.00 0.00 C ATOM 442 CG LYS A 28 4.659 -14.553 -2.088 1.00 0.00 C ATOM 443 CD LYS A 28 4.947 -15.493 -3.231 1.00 0.00 C ATOM 444 CE LYS A 28 6.087 -16.433 -2.873 1.00 0.00 C ATOM 445 NZ LYS A 28 6.484 -17.287 -4.010 1.00 0.00 N ATOM 0 H LYS A 28 2.789 -14.326 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 28 4.166 -12.073 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.602 -14.208 -2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.709 -13.070 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.551 -13.964 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.435 -15.132 -1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.053 -16.070 -3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.205 -14.922 -4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.946 -15.850 -2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.787 -17.063 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.264 -17.911 -3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.673 -17.864 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.796 -16.689 -4.801 1.00 0.00 H new ATOM 459 N CYS A 29 0.926 -12.030 -1.315 1.00 0.00 N ATOM 460 CA CYS A 29 -0.236 -11.199 -1.512 1.00 0.00 C ATOM 461 C CYS A 29 -0.227 -9.973 -0.608 1.00 0.00 C ATOM 462 O CYS A 29 -0.471 -8.847 -1.084 1.00 0.00 O ATOM 463 CB CYS A 29 -1.495 -12.016 -1.304 1.00 0.00 C ATOM 464 SG CYS A 29 -1.751 -13.277 -2.573 1.00 0.00 S ATOM 0 H CYS A 29 0.712 -12.948 -0.926 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.213 -10.832 -2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.449 -12.498 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.355 -11.347 -1.289 1.00 0.00 H new ATOM 469 N GLU A 30 0.079 -10.162 0.685 1.00 0.00 N ATOM 470 CA GLU A 30 0.107 -9.043 1.602 1.00 0.00 C ATOM 471 C GLU A 30 1.225 -8.089 1.201 1.00 0.00 C ATOM 472 O GLU A 30 1.035 -6.885 1.216 1.00 0.00 O ATOM 473 CB GLU A 30 0.242 -9.479 3.094 1.00 0.00 C ATOM 474 CG GLU A 30 1.610 -10.022 3.494 1.00 0.00 C ATOM 475 CD GLU A 30 1.692 -10.477 4.931 1.00 0.00 C ATOM 476 OE1 GLU A 30 1.913 -9.634 5.829 1.00 0.00 O ATOM 477 OE2 GLU A 30 1.557 -11.676 5.198 1.00 0.00 O ATOM 0 H GLU A 30 0.305 -11.066 1.101 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.853 -8.532 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.010 -8.623 3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.508 -10.242 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.862 -10.859 2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.360 -9.250 3.324 1.00 0.00 H new ATOM 484 N GLN A 31 2.354 -8.650 0.755 1.00 0.00 N ATOM 485 CA GLN A 31 3.504 -7.859 0.362 1.00 0.00 C ATOM 486 C GLN A 31 3.227 -6.960 -0.825 1.00 0.00 C ATOM 487 O GLN A 31 3.536 -5.783 -0.767 1.00 0.00 O ATOM 488 CB GLN A 31 4.759 -8.715 0.124 1.00 0.00 C ATOM 489 CG GLN A 31 5.259 -9.439 1.373 1.00 0.00 C ATOM 490 CD GLN A 31 5.479 -8.505 2.553 1.00 0.00 C ATOM 491 OE1 GLN A 31 5.326 -8.903 3.709 1.00 0.00 O ATOM 492 NE2 GLN A 31 5.863 -7.281 2.279 1.00 0.00 N ATOM 0 H GLN A 31 2.487 -9.657 0.660 1.00 0.00 H new ATOM 0 HA GLN A 31 3.708 -7.210 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.543 -9.452 -0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.556 -8.076 -0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.538 -10.207 1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.194 -9.949 1.141 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.979 -6.988 1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.046 -6.622 3.036 1.00 0.00 H new ATOM 501 N VAL A 32 2.604 -7.498 -1.876 1.00 0.00 N ATOM 502 CA VAL A 32 2.299 -6.704 -3.092 1.00 0.00 C ATOM 503 C VAL A 32 1.467 -5.460 -2.742 1.00 0.00 C ATOM 504 O VAL A 32 1.712 -4.348 -3.241 1.00 0.00 O ATOM 505 CB VAL A 32 1.550 -7.558 -4.174 1.00 0.00 C ATOM 506 CG1 VAL A 32 1.151 -6.716 -5.382 1.00 0.00 C ATOM 507 CG2 VAL A 32 2.419 -8.709 -4.633 1.00 0.00 C ATOM 0 H VAL A 32 2.299 -8.470 -1.920 1.00 0.00 H new ATOM 0 HA VAL A 32 3.254 -6.387 -3.512 1.00 0.00 H new ATOM 0 HB VAL A 32 0.643 -7.944 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.635 -7.344 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.489 -5.912 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.044 -6.290 -5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.885 -9.292 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.341 -8.319 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.658 -9.346 -3.782 1.00 0.00 H new ATOM 517 N CYS A 33 0.520 -5.637 -1.865 1.00 0.00 N ATOM 518 CA CYS A 33 -0.318 -4.546 -1.455 1.00 0.00 C ATOM 519 C CYS A 33 0.327 -3.676 -0.377 1.00 0.00 C ATOM 520 O CYS A 33 0.104 -2.467 -0.342 1.00 0.00 O ATOM 521 CB CYS A 33 -1.711 -5.041 -1.099 1.00 0.00 C ATOM 522 SG CYS A 33 -2.627 -5.601 -2.585 1.00 0.00 S ATOM 0 H CYS A 33 0.308 -6.530 -1.419 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.435 -3.875 -2.306 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.635 -5.862 -0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.267 -4.243 -0.607 1.00 0.00 H new ATOM 527 N GLU A 34 1.173 -4.271 0.452 1.00 0.00 N ATOM 528 CA GLU A 34 1.912 -3.540 1.476 1.00 0.00 C ATOM 529 C GLU A 34 2.865 -2.560 0.821 1.00 0.00 C ATOM 530 O GLU A 34 2.966 -1.404 1.241 1.00 0.00 O ATOM 531 CB GLU A 34 2.704 -4.502 2.370 1.00 0.00 C ATOM 532 CG GLU A 34 3.562 -3.813 3.416 1.00 0.00 C ATOM 533 CD GLU A 34 4.318 -4.779 4.276 1.00 0.00 C ATOM 534 OE1 GLU A 34 3.805 -5.150 5.331 1.00 0.00 O ATOM 535 OE2 GLU A 34 5.445 -5.171 3.919 1.00 0.00 O ATOM 0 H GLU A 34 1.367 -5.272 0.435 1.00 0.00 H new ATOM 0 HA GLU A 34 1.195 -2.999 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.006 -5.172 2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.344 -5.121 1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.268 -3.147 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.927 -3.191 4.048 1.00 0.00 H new ATOM 542 N GLU A 35 3.521 -3.017 -0.235 1.00 0.00 N ATOM 543 CA GLU A 35 4.490 -2.213 -0.959 1.00 0.00 C ATOM 544 C GLU A 35 3.822 -1.054 -1.660 1.00 0.00 C ATOM 545 O GLU A 35 4.435 -0.012 -1.872 1.00 0.00 O ATOM 546 CB GLU A 35 5.295 -3.054 -1.943 1.00 0.00 C ATOM 547 CG GLU A 35 6.074 -4.169 -1.275 1.00 0.00 C ATOM 548 CD GLU A 35 6.979 -4.906 -2.214 1.00 0.00 C ATOM 549 OE1 GLU A 35 8.211 -4.882 -2.002 1.00 0.00 O ATOM 550 OE2 GLU A 35 6.497 -5.519 -3.186 1.00 0.00 O ATOM 0 H GLU A 35 3.395 -3.956 -0.613 1.00 0.00 H new ATOM 0 HA GLU A 35 5.187 -1.808 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.619 -3.484 -2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.988 -2.408 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.668 -3.751 -0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.374 -4.875 -0.828 1.00 0.00 H new ATOM 557 N ARG A 36 2.562 -1.230 -2.010 1.00 0.00 N ATOM 558 CA ARG A 36 1.801 -0.157 -2.619 1.00 0.00 C ATOM 559 C ARG A 36 1.385 0.820 -1.529 1.00 0.00 C ATOM 560 O ARG A 36 1.372 2.032 -1.720 1.00 0.00 O ATOM 561 CB ARG A 36 0.556 -0.700 -3.340 1.00 0.00 C ATOM 562 CG ARG A 36 -0.184 0.357 -4.155 1.00 0.00 C ATOM 563 CD ARG A 36 -1.400 -0.210 -4.872 1.00 0.00 C ATOM 564 NE ARG A 36 -2.533 -0.523 -3.967 1.00 0.00 N ATOM 565 CZ ARG A 36 -3.555 -1.348 -4.290 1.00 0.00 C ATOM 566 NH1 ARG A 36 -3.488 -2.089 -5.386 1.00 0.00 N ATOM 567 NH2 ARG A 36 -4.639 -1.418 -3.518 1.00 0.00 N ATOM 0 H ARG A 36 2.046 -2.101 -1.884 1.00 0.00 H new ATOM 0 HA ARG A 36 2.422 0.345 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.854 -1.514 -4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.126 -1.122 -2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.499 1.166 -3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.497 0.790 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.734 0.505 -5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.108 -1.117 -5.402 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.542 -0.089 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.665 -2.038 -5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.259 -2.711 -5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.703 -0.846 -2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.405 -2.043 -3.770 1.00 0.00 H new ATOM 581 N LEU A 37 1.086 0.276 -0.364 1.00 0.00 N ATOM 582 CA LEU A 37 0.653 1.077 0.745 1.00 0.00 C ATOM 583 C LEU A 37 1.741 1.922 1.335 1.00 0.00 C ATOM 584 O LEU A 37 1.453 2.996 1.811 1.00 0.00 O ATOM 585 CB LEU A 37 -0.026 0.280 1.834 1.00 0.00 C ATOM 586 CG LEU A 37 -1.381 -0.320 1.504 1.00 0.00 C ATOM 587 CD1 LEU A 37 -2.127 -0.512 2.781 1.00 0.00 C ATOM 588 CD2 LEU A 37 -2.178 0.544 0.528 1.00 0.00 C ATOM 0 H LEU A 37 1.138 -0.724 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.088 1.746 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.641 -0.530 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.144 0.926 2.704 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.232 -1.277 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.106 -0.943 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.568 -1.184 3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.254 0.451 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.139 0.071 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.344 1.529 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.621 0.649 -0.403 1.00 0.00 H new ATOM 600 N ARG A 38 2.993 1.445 1.285 1.00 0.00 N ATOM 601 CA ARG A 38 4.150 2.210 1.812 1.00 0.00 C ATOM 602 C ARG A 38 4.141 3.589 1.207 1.00 0.00 C ATOM 603 O ARG A 38 4.261 4.603 1.893 1.00 0.00 O ATOM 604 CB ARG A 38 5.471 1.591 1.378 1.00 0.00 C ATOM 605 CG ARG A 38 5.684 0.141 1.696 1.00 0.00 C ATOM 606 CD ARG A 38 7.048 -0.316 1.190 1.00 0.00 C ATOM 607 NE ARG A 38 7.250 0.002 -0.245 1.00 0.00 N ATOM 608 CZ ARG A 38 7.989 -0.711 -1.101 1.00 0.00 C ATOM 609 NH1 ARG A 38 8.595 -1.828 -0.709 1.00 0.00 N ATOM 610 NH2 ARG A 38 8.121 -0.297 -2.346 1.00 0.00 N ATOM 0 H ARG A 38 3.238 0.538 0.888 1.00 0.00 H new ATOM 0 HA ARG A 38 4.064 2.217 2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.566 1.718 0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.279 2.160 1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.616 -0.016 2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.898 -0.459 1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.831 0.161 1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.147 -1.391 1.339 1.00 0.00 H new ATOM 0 HE ARG A 38 6.786 0.834 -0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.499 -2.149 0.254 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.156 -2.363 -1.372 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.661 0.561 -2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.683 -0.835 -3.005 1.00 0.00 H new ATOM 624 N GLU A 39 3.920 3.591 -0.084 1.00 0.00 N ATOM 625 CA GLU A 39 3.966 4.767 -0.907 1.00 0.00 C ATOM 626 C GLU A 39 2.791 5.682 -0.595 1.00 0.00 C ATOM 627 O GLU A 39 2.866 6.897 -0.768 1.00 0.00 O ATOM 628 CB GLU A 39 3.904 4.343 -2.378 1.00 0.00 C ATOM 629 CG GLU A 39 4.786 3.141 -2.732 1.00 0.00 C ATOM 630 CD GLU A 39 6.235 3.319 -2.356 1.00 0.00 C ATOM 631 OE1 GLU A 39 6.677 2.762 -1.321 1.00 0.00 O ATOM 632 OE2 GLU A 39 6.962 4.006 -3.080 1.00 0.00 O ATOM 0 H GLU A 39 3.696 2.744 -0.605 1.00 0.00 H new ATOM 0 HA GLU A 39 4.891 5.308 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.871 4.106 -2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.198 5.189 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.396 2.255 -2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.718 2.956 -3.804 1.00 0.00 H new ATOM 639 N ARG A 40 1.710 5.101 -0.120 1.00 0.00 N ATOM 640 CA ARG A 40 0.527 5.856 0.124 1.00 0.00 C ATOM 641 C ARG A 40 0.474 6.351 1.568 1.00 0.00 C ATOM 642 O ARG A 40 -0.064 7.417 1.853 1.00 0.00 O ATOM 643 CB ARG A 40 -0.680 5.023 -0.220 1.00 0.00 C ATOM 644 CG ARG A 40 -1.950 5.814 -0.350 1.00 0.00 C ATOM 645 CD ARG A 40 -3.077 4.925 -0.782 1.00 0.00 C ATOM 646 NE ARG A 40 -2.808 4.257 -2.056 1.00 0.00 N ATOM 647 CZ ARG A 40 -3.534 3.271 -2.571 1.00 0.00 C ATOM 648 NH1 ARG A 40 -4.634 2.853 -1.945 1.00 0.00 N ATOM 649 NH2 ARG A 40 -3.172 2.732 -3.726 1.00 0.00 N ATOM 0 H ARG A 40 1.638 4.108 0.101 1.00 0.00 H new ATOM 0 HA ARG A 40 0.533 6.741 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.492 4.499 -1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.815 4.262 0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.193 6.283 0.603 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.813 6.617 -1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.258 4.174 -0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.988 5.516 -0.871 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.999 4.574 -2.591 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.920 3.290 -1.069 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.190 2.096 -2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.343 3.075 -4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.723 1.974 -4.130 1.00 0.00 H new ATOM 663 N GLU A 41 1.021 5.579 2.481 1.00 0.00 N ATOM 664 CA GLU A 41 1.030 5.970 3.873 1.00 0.00 C ATOM 665 C GLU A 41 2.144 6.962 4.140 1.00 0.00 C ATOM 666 O GLU A 41 1.969 7.915 4.879 1.00 0.00 O ATOM 667 CB GLU A 41 1.088 4.760 4.817 1.00 0.00 C ATOM 668 CG GLU A 41 2.326 3.897 4.691 1.00 0.00 C ATOM 669 CD GLU A 41 2.276 2.708 5.599 1.00 0.00 C ATOM 670 OE1 GLU A 41 1.797 1.645 5.175 1.00 0.00 O ATOM 671 OE2 GLU A 41 2.704 2.817 6.769 1.00 0.00 O ATOM 0 H GLU A 41 1.463 4.681 2.286 1.00 0.00 H new ATOM 0 HA GLU A 41 0.084 6.468 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.018 5.118 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.212 4.137 4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.430 3.561 3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.209 4.493 4.923 1.00 0.00 H new ATOM 678 N GLN A 42 3.274 6.776 3.477 1.00 0.00 N ATOM 679 CA GLN A 42 4.385 7.706 3.616 1.00 0.00 C ATOM 680 C GLN A 42 4.293 8.769 2.544 1.00 0.00 C ATOM 681 O GLN A 42 5.211 9.548 2.324 1.00 0.00 O ATOM 682 CB GLN A 42 5.730 6.974 3.572 1.00 0.00 C ATOM 683 CG GLN A 42 5.888 5.957 4.696 1.00 0.00 C ATOM 684 CD GLN A 42 5.732 6.569 6.088 1.00 0.00 C ATOM 685 OE1 GLN A 42 6.184 7.787 6.269 1.00 0.00 O flip ATOM 686 NE2 GLN A 42 5.242 5.913 7.009 1.00 0.00 N flip ATOM 0 H GLN A 42 3.447 5.997 2.842 1.00 0.00 H new ATOM 0 HA GLN A 42 4.322 8.190 4.590 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.831 6.466 2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.537 7.704 3.633 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.148 5.167 4.569 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.870 5.490 4.619 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.899 4.968 6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.179 6.315 7.944 1.00 0.00 H new ATOM 695 N GLY A 43 3.163 8.790 1.899 1.00 0.00 N ATOM 696 CA GLY A 43 2.865 9.763 0.900 1.00 0.00 C ATOM 697 C GLY A 43 1.486 10.287 1.129 1.00 0.00 C ATOM 698 O GLY A 43 0.779 10.671 0.197 1.00 0.00 O ATOM 0 H GLY A 43 2.413 8.118 2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.589 10.577 0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.939 9.319 -0.093 1.00 0.00 H new ATOM 702 N ARG A 44 1.099 10.293 2.387 1.00 0.00 N ATOM 703 CA ARG A 44 -0.212 10.709 2.796 1.00 0.00 C ATOM 704 C ARG A 44 -0.333 12.213 2.657 1.00 0.00 C ATOM 705 O ARG A 44 -1.304 12.737 2.094 1.00 0.00 O ATOM 706 CB ARG A 44 -0.452 10.293 4.251 1.00 0.00 C ATOM 707 CG ARG A 44 -1.859 10.543 4.741 1.00 0.00 C ATOM 708 CD ARG A 44 -2.837 9.659 4.012 1.00 0.00 C ATOM 709 NE ARG A 44 -4.217 9.946 4.380 1.00 0.00 N ATOM 710 CZ ARG A 44 -5.223 9.079 4.316 1.00 0.00 C ATOM 711 NH1 ARG A 44 -5.014 7.824 3.930 1.00 0.00 N ATOM 712 NH2 ARG A 44 -6.438 9.473 4.638 1.00 0.00 N ATOM 0 H ARG A 44 1.699 10.004 3.159 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.960 10.232 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.226 9.232 4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.245 10.833 4.892 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.916 10.352 5.813 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.123 11.590 4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.714 9.793 2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.614 8.615 4.231 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.428 10.887 4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.074 7.517 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.794 7.168 3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.600 10.436 4.933 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.216 8.815 4.592 1.00 0.00 H new ATOM 726 N GLY A 45 0.660 12.885 3.135 1.00 0.00 N ATOM 727 CA GLY A 45 0.683 14.308 3.099 1.00 0.00 C ATOM 728 C GLY A 45 1.716 14.788 4.033 1.00 0.00 C ATOM 729 O GLY A 45 1.417 15.401 5.059 1.00 0.00 O ATOM 0 H GLY A 45 1.482 12.460 3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.896 14.657 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.292 14.709 3.376 1.00 0.00 H new ATOM 733 N GLU A 46 2.940 14.482 3.702 1.00 0.00 N ATOM 734 CA GLU A 46 4.050 14.758 4.573 1.00 0.00 C ATOM 735 C GLU A 46 4.368 16.241 4.593 1.00 0.00 C ATOM 736 O GLU A 46 4.944 16.759 5.560 1.00 0.00 O ATOM 737 CB GLU A 46 5.268 13.926 4.183 1.00 0.00 C ATOM 738 CG GLU A 46 4.963 12.446 3.938 1.00 0.00 C ATOM 739 CD GLU A 46 4.173 11.802 5.051 1.00 0.00 C ATOM 740 OE1 GLU A 46 4.759 11.465 6.103 1.00 0.00 O ATOM 741 OE2 GLU A 46 2.938 11.620 4.896 1.00 0.00 O ATOM 0 H GLU A 46 3.197 14.035 2.822 1.00 0.00 H new ATOM 0 HA GLU A 46 3.768 14.471 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.709 14.349 3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.016 14.006 4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.408 12.347 3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.901 11.906 3.810 1.00 0.00 H new ATOM 748 N ASP A 47 3.983 16.919 3.549 1.00 0.00 N ATOM 749 CA ASP A 47 4.167 18.354 3.463 1.00 0.00 C ATOM 750 C ASP A 47 2.866 19.078 3.693 1.00 0.00 C ATOM 751 O ASP A 47 2.804 20.032 4.471 1.00 0.00 O ATOM 752 CB ASP A 47 4.834 18.793 2.155 1.00 0.00 C ATOM 753 CG ASP A 47 6.302 18.451 2.120 1.00 0.00 C ATOM 754 OD1 ASP A 47 6.703 17.510 1.411 1.00 0.00 O ATOM 755 OD2 ASP A 47 7.096 19.110 2.836 1.00 0.00 O ATOM 0 H ASP A 47 3.534 16.502 2.733 1.00 0.00 H new ATOM 0 HA ASP A 47 4.857 18.631 4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.331 18.314 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.710 19.869 2.030 1.00 0.00 H new ATOM 760 N VAL A 48 1.823 18.629 3.048 1.00 0.00 N ATOM 761 CA VAL A 48 0.515 19.209 3.249 1.00 0.00 C ATOM 762 C VAL A 48 -0.453 18.187 3.846 1.00 0.00 C ATOM 763 O VAL A 48 -0.810 17.178 3.215 1.00 0.00 O ATOM 764 CB VAL A 48 -0.075 19.896 1.969 1.00 0.00 C ATOM 765 CG1 VAL A 48 0.728 21.140 1.615 1.00 0.00 C ATOM 766 CG2 VAL A 48 -0.102 18.948 0.777 1.00 0.00 C ATOM 0 H VAL A 48 1.850 17.862 2.377 1.00 0.00 H new ATOM 0 HA VAL A 48 0.648 20.015 3.970 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.102 20.178 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.305 21.605 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.691 21.846 2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.764 20.862 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.518 19.464 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.912 18.619 0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.720 18.082 1.015 1.00 0.00 H new ATOM 776 N ASP A 49 -0.837 18.418 5.069 1.00 0.00 N ATOM 777 CA ASP A 49 -1.736 17.526 5.759 1.00 0.00 C ATOM 778 C ASP A 49 -2.978 18.269 6.143 1.00 0.00 C ATOM 779 O ASP A 49 -4.006 18.114 5.457 1.00 0.00 O ATOM 780 CB ASP A 49 -1.083 16.888 6.990 1.00 0.00 C ATOM 781 CG ASP A 49 -2.009 15.907 7.680 1.00 0.00 C ATOM 782 OD1 ASP A 49 -2.362 14.874 7.058 1.00 0.00 O ATOM 783 OD2 ASP A 49 -2.377 16.122 8.862 1.00 0.00 O ATOM 784 OXT ASP A 49 -2.920 19.085 7.076 1.00 0.00 O ATOM 0 H ASP A 49 -0.540 19.225 5.617 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.992 16.712 5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.169 16.375 6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.794 17.669 7.693 1.00 0.00 H new TER 789 ASP A 49