USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 264 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 NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 22:sc= 0.183 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 44:sc= 0.361 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.366) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -3.1 K(o=-3.1,f=-1.5) USER MOD Single : A 37 SER OG : rot -10:sc= 0.503 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.656 -24.680 -9.839 1.00 0.00 N ATOM 2 CA GLY A 1 7.302 -25.474 -8.678 1.00 0.00 C ATOM 3 C GLY A 1 6.079 -24.939 -7.959 1.00 0.00 C ATOM 4 O GLY A 1 4.973 -25.449 -8.139 1.00 0.00 O ATOM 0 H1 GLY A 1 8.498 -25.087 -10.295 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.864 -24.678 -10.513 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.861 -23.704 -9.543 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.116 -26.502 -8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.145 -25.497 -7.987 1.00 0.00 H new ATOM 8 N SER A 2 6.278 -23.909 -7.143 1.00 0.00 N ATOM 9 CA SER A 2 5.183 -23.308 -6.390 1.00 0.00 C ATOM 10 C SER A 2 4.067 -22.852 -7.326 1.00 0.00 C ATOM 11 O SER A 2 4.099 -21.740 -7.852 1.00 0.00 O ATOM 12 CB SER A 2 5.692 -22.122 -5.569 1.00 0.00 C ATOM 13 OG SER A 2 6.312 -22.559 -4.372 1.00 0.00 O ATOM 0 H SER A 2 7.187 -23.473 -6.986 1.00 0.00 H new ATOM 0 HA SER A 2 4.781 -24.063 -5.714 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.403 -21.545 -6.160 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.861 -21.458 -5.331 1.00 0.00 H new ATOM 0 HG SER A 2 6.630 -21.782 -3.866 1.00 0.00 H new ATOM 19 N SER A 3 3.081 -23.720 -7.528 1.00 0.00 N ATOM 20 CA SER A 3 1.957 -23.410 -8.402 1.00 0.00 C ATOM 21 C SER A 3 0.659 -23.311 -7.605 1.00 0.00 C ATOM 22 O SER A 3 0.344 -24.186 -6.800 1.00 0.00 O ATOM 23 CB SER A 3 1.820 -24.477 -9.490 1.00 0.00 C ATOM 24 OG SER A 3 1.429 -25.722 -8.938 1.00 0.00 O ATOM 0 H SER A 3 3.038 -24.644 -7.098 1.00 0.00 H new ATOM 0 HA SER A 3 2.149 -22.445 -8.871 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.085 -24.156 -10.228 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.769 -24.590 -10.014 1.00 0.00 H new ATOM 0 HG SER A 3 0.996 -25.574 -8.071 1.00 0.00 H new ATOM 30 N GLY A 4 -0.089 -22.236 -7.835 1.00 0.00 N ATOM 31 CA GLY A 4 -1.343 -22.041 -7.132 1.00 0.00 C ATOM 32 C GLY A 4 -1.331 -20.804 -6.256 1.00 0.00 C ATOM 33 O GLY A 4 -1.429 -20.900 -5.033 1.00 0.00 O ATOM 0 H GLY A 4 0.151 -21.497 -8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.153 -21.961 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.551 -22.916 -6.516 1.00 0.00 H new ATOM 37 N SER A 5 -1.207 -19.639 -6.883 1.00 0.00 N ATOM 38 CA SER A 5 -1.176 -18.377 -6.153 1.00 0.00 C ATOM 39 C SER A 5 -2.207 -17.400 -6.711 1.00 0.00 C ATOM 40 O SER A 5 -1.929 -16.211 -6.869 1.00 0.00 O ATOM 41 CB SER A 5 0.221 -17.757 -6.222 1.00 0.00 C ATOM 42 OG SER A 5 0.589 -17.480 -7.562 1.00 0.00 O ATOM 0 H SER A 5 -1.126 -19.543 -7.895 1.00 0.00 H new ATOM 0 HA SER A 5 -1.423 -18.583 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.244 -16.837 -5.638 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.947 -18.437 -5.775 1.00 0.00 H new ATOM 0 HG SER A 5 1.485 -17.083 -7.580 1.00 0.00 H new ATOM 48 N SER A 6 -3.397 -17.912 -7.009 1.00 0.00 N ATOM 49 CA SER A 6 -4.469 -17.087 -7.553 1.00 0.00 C ATOM 50 C SER A 6 -5.008 -16.129 -6.495 1.00 0.00 C ATOM 51 O SER A 6 -5.934 -16.460 -5.756 1.00 0.00 O ATOM 52 CB SER A 6 -5.601 -17.969 -8.084 1.00 0.00 C ATOM 53 OG SER A 6 -6.748 -17.196 -8.391 1.00 0.00 O ATOM 0 H SER A 6 -3.643 -18.894 -6.883 1.00 0.00 H new ATOM 0 HA SER A 6 -4.060 -16.499 -8.375 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.266 -18.498 -8.976 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.856 -18.725 -7.341 1.00 0.00 H new ATOM 0 HG SER A 6 -7.456 -17.782 -8.730 1.00 0.00 H new ATOM 59 N GLY A 7 -4.421 -14.937 -6.430 1.00 0.00 N ATOM 60 CA GLY A 7 -4.855 -13.949 -5.460 1.00 0.00 C ATOM 61 C GLY A 7 -4.751 -12.532 -5.990 1.00 0.00 C ATOM 62 O GLY A 7 -3.742 -12.159 -6.589 1.00 0.00 O ATOM 0 H GLY A 7 -3.653 -14.639 -7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.887 -14.152 -5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.252 -14.041 -4.557 1.00 0.00 H new ATOM 66 N ARG A 8 -5.797 -11.742 -5.770 1.00 0.00 N ATOM 67 CA ARG A 8 -5.820 -10.360 -6.233 1.00 0.00 C ATOM 68 C ARG A 8 -5.348 -9.411 -5.134 1.00 0.00 C ATOM 69 O ARG A 8 -5.918 -8.337 -4.940 1.00 0.00 O ATOM 70 CB ARG A 8 -7.230 -9.974 -6.684 1.00 0.00 C ATOM 71 CG ARG A 8 -7.667 -10.659 -7.968 1.00 0.00 C ATOM 72 CD ARG A 8 -7.082 -9.972 -9.193 1.00 0.00 C ATOM 73 NE ARG A 8 -7.882 -8.824 -9.611 1.00 0.00 N ATOM 74 CZ ARG A 8 -7.452 -7.900 -10.463 1.00 0.00 C ATOM 75 NH1 ARG A 8 -6.236 -7.989 -10.984 1.00 0.00 N ATOM 76 NH2 ARG A 8 -8.239 -6.885 -10.795 1.00 0.00 N ATOM 0 H ARG A 8 -6.639 -12.035 -5.274 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.139 -10.275 -7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.936 -10.221 -5.892 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.274 -8.894 -6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.353 -11.703 -7.950 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.755 -10.655 -8.032 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.065 -9.645 -8.974 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.017 -10.687 -10.013 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.822 -8.726 -9.228 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.628 -8.768 -10.731 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.908 -7.278 -11.638 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.175 -6.814 -10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.908 -6.176 -11.449 1.00 0.00 H new ATOM 90 N SER A 9 -4.304 -9.816 -4.418 1.00 0.00 N ATOM 91 CA SER A 9 -3.758 -9.005 -3.336 1.00 0.00 C ATOM 92 C SER A 9 -2.447 -8.349 -3.757 1.00 0.00 C ATOM 93 O SER A 9 -1.675 -8.918 -4.530 1.00 0.00 O ATOM 94 CB SER A 9 -3.535 -9.862 -2.089 1.00 0.00 C ATOM 95 OG SER A 9 -2.531 -10.837 -2.314 1.00 0.00 O ATOM 0 H SER A 9 -3.819 -10.701 -4.568 1.00 0.00 H new ATOM 0 HA SER A 9 -4.479 -8.221 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.247 -9.225 -1.253 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.467 -10.353 -1.810 1.00 0.00 H new ATOM 0 HG SER A 9 -2.406 -11.371 -1.502 1.00 0.00 H new ATOM 101 N TYR A 10 -2.201 -7.149 -3.244 1.00 0.00 N ATOM 102 CA TYR A 10 -0.985 -6.413 -3.568 1.00 0.00 C ATOM 103 C TYR A 10 0.130 -6.741 -2.579 1.00 0.00 C ATOM 104 O TYR A 10 -0.110 -6.880 -1.380 1.00 0.00 O ATOM 105 CB TYR A 10 -1.258 -4.908 -3.564 1.00 0.00 C ATOM 106 CG TYR A 10 -2.220 -4.464 -4.643 1.00 0.00 C ATOM 107 CD1 TYR A 10 -3.529 -4.929 -4.667 1.00 0.00 C ATOM 108 CD2 TYR A 10 -1.820 -3.582 -5.639 1.00 0.00 C ATOM 109 CE1 TYR A 10 -4.412 -4.527 -5.651 1.00 0.00 C ATOM 110 CE2 TYR A 10 -2.696 -3.174 -6.626 1.00 0.00 C ATOM 111 CZ TYR A 10 -3.990 -3.649 -6.628 1.00 0.00 C ATOM 112 OH TYR A 10 -4.866 -3.246 -7.610 1.00 0.00 O ATOM 0 H TYR A 10 -2.828 -6.665 -2.602 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.663 -6.715 -4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.659 -4.623 -2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.315 -4.376 -3.688 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.862 -5.616 -3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.807 -3.209 -5.642 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.426 -4.898 -5.655 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.369 -2.487 -7.392 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.412 -2.627 -8.219 1.00 0.00 H new ATOM 122 N SER A 11 1.350 -6.863 -3.092 1.00 0.00 N ATOM 123 CA SER A 11 2.503 -7.178 -2.256 1.00 0.00 C ATOM 124 C SER A 11 3.558 -6.081 -2.352 1.00 0.00 C ATOM 125 O SER A 11 3.766 -5.494 -3.414 1.00 0.00 O ATOM 126 CB SER A 11 3.107 -8.521 -2.670 1.00 0.00 C ATOM 127 OG SER A 11 3.366 -8.557 -4.063 1.00 0.00 O ATOM 0 H SER A 11 1.566 -6.749 -4.082 1.00 0.00 H new ATOM 0 HA SER A 11 2.165 -7.243 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.033 -8.692 -2.120 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.424 -9.328 -2.403 1.00 0.00 H new ATOM 0 HG SER A 11 3.753 -9.425 -4.301 1.00 0.00 H new ATOM 133 N CYS A 12 4.223 -5.810 -1.233 1.00 0.00 N ATOM 134 CA CYS A 12 5.258 -4.784 -1.188 1.00 0.00 C ATOM 135 C CYS A 12 6.625 -5.375 -1.517 1.00 0.00 C ATOM 136 O CYS A 12 7.181 -6.175 -0.763 1.00 0.00 O ATOM 137 CB CYS A 12 5.293 -4.127 0.193 1.00 0.00 C ATOM 138 SG CYS A 12 6.413 -2.695 0.307 1.00 0.00 S ATOM 0 H CYS A 12 4.063 -6.287 -0.346 1.00 0.00 H new ATOM 0 HA CYS A 12 5.019 -4.029 -1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.285 -3.808 0.457 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.596 -4.871 0.930 1.00 0.00 H new ATOM 143 N PRO A 13 7.182 -4.974 -2.669 1.00 0.00 N ATOM 144 CA PRO A 13 8.491 -5.450 -3.124 1.00 0.00 C ATOM 145 C PRO A 13 9.634 -4.910 -2.270 1.00 0.00 C ATOM 146 O PRO A 13 10.802 -5.207 -2.520 1.00 0.00 O ATOM 147 CB PRO A 13 8.589 -4.909 -4.552 1.00 0.00 C ATOM 148 CG PRO A 13 7.700 -3.714 -4.566 1.00 0.00 C ATOM 149 CD PRO A 13 6.576 -4.023 -3.616 1.00 0.00 C ATOM 0 HA PRO A 13 8.575 -6.535 -3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.615 -4.642 -4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.265 -5.652 -5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.241 -2.821 -4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.321 -3.521 -5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.218 -3.126 -3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.722 -4.460 -4.133 1.00 0.00 H new ATOM 157 N VAL A 14 9.288 -4.116 -1.262 1.00 0.00 N ATOM 158 CA VAL A 14 10.285 -3.536 -0.370 1.00 0.00 C ATOM 159 C VAL A 14 10.503 -4.414 0.857 1.00 0.00 C ATOM 160 O VAL A 14 11.608 -4.902 1.097 1.00 0.00 O ATOM 161 CB VAL A 14 9.874 -2.125 0.089 1.00 0.00 C ATOM 162 CG1 VAL A 14 10.924 -1.538 1.019 1.00 0.00 C ATOM 163 CG2 VAL A 14 9.647 -1.219 -1.112 1.00 0.00 C ATOM 0 H VAL A 14 8.325 -3.860 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 14 11.215 -3.470 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 14 8.937 -2.200 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.616 -0.541 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.032 -2.177 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.879 -1.475 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.357 -0.226 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.566 -1.148 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.855 -1.633 -1.735 1.00 0.00 H new ATOM 173 N CYS A 15 9.441 -4.613 1.631 1.00 0.00 N ATOM 174 CA CYS A 15 9.514 -5.433 2.835 1.00 0.00 C ATOM 175 C CYS A 15 8.650 -6.683 2.694 1.00 0.00 C ATOM 176 O CYS A 15 8.070 -7.160 3.669 1.00 0.00 O ATOM 177 CB CYS A 15 9.068 -4.626 4.055 1.00 0.00 C ATOM 178 SG CYS A 15 7.374 -3.967 3.932 1.00 0.00 S ATOM 0 H CYS A 15 8.519 -4.217 1.446 1.00 0.00 H new ATOM 0 HA CYS A 15 10.550 -5.742 2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.137 -5.258 4.940 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.760 -3.796 4.201 1.00 0.00 H new ATOM 183 N GLU A 16 8.572 -7.207 1.475 1.00 0.00 N ATOM 184 CA GLU A 16 7.778 -8.401 1.208 1.00 0.00 C ATOM 185 C GLU A 16 6.531 -8.434 2.087 1.00 0.00 C ATOM 186 O GLU A 16 6.201 -9.462 2.678 1.00 0.00 O ATOM 187 CB GLU A 16 8.616 -9.660 1.444 1.00 0.00 C ATOM 188 CG GLU A 16 9.031 -9.852 2.893 1.00 0.00 C ATOM 189 CD GLU A 16 10.129 -10.885 3.054 1.00 0.00 C ATOM 190 OE1 GLU A 16 11.256 -10.633 2.578 1.00 0.00 O ATOM 191 OE2 GLU A 16 9.861 -11.946 3.655 1.00 0.00 O ATOM 0 H GLU A 16 9.048 -6.825 0.658 1.00 0.00 H new ATOM 0 HA GLU A 16 7.464 -8.372 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.047 -10.531 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.510 -9.613 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.371 -8.899 3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.163 -10.156 3.478 1.00 0.00 H new ATOM 198 N LYS A 17 5.843 -7.301 2.168 1.00 0.00 N ATOM 199 CA LYS A 17 4.631 -7.197 2.974 1.00 0.00 C ATOM 200 C LYS A 17 3.398 -7.068 2.086 1.00 0.00 C ATOM 201 O LYS A 17 3.321 -6.179 1.239 1.00 0.00 O ATOM 202 CB LYS A 17 4.723 -5.996 3.917 1.00 0.00 C ATOM 203 CG LYS A 17 3.733 -6.050 5.069 1.00 0.00 C ATOM 204 CD LYS A 17 4.318 -6.770 6.272 1.00 0.00 C ATOM 205 CE LYS A 17 3.227 -7.270 7.207 1.00 0.00 C ATOM 206 NZ LYS A 17 3.789 -8.008 8.371 1.00 0.00 N ATOM 0 H LYS A 17 6.103 -6.441 1.685 1.00 0.00 H new ATOM 0 HA LYS A 17 4.537 -8.108 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.734 -5.938 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.554 -5.083 3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.448 -5.037 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.824 -6.558 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.924 -7.611 5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.982 -6.096 6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.638 -6.424 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.548 -7.922 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.014 -8.332 8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.330 -8.830 8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.417 -7.379 8.911 1.00 0.00 H new ATOM 220 N SER A 18 2.433 -7.960 2.288 1.00 0.00 N ATOM 221 CA SER A 18 1.203 -7.946 1.505 1.00 0.00 C ATOM 222 C SER A 18 0.042 -7.392 2.325 1.00 0.00 C ATOM 223 O SER A 18 0.067 -7.421 3.555 1.00 0.00 O ATOM 224 CB SER A 18 0.869 -9.357 1.016 1.00 0.00 C ATOM 225 OG SER A 18 -0.356 -9.373 0.304 1.00 0.00 O ATOM 0 H SER A 18 2.479 -8.701 2.987 1.00 0.00 H new ATOM 0 HA SER A 18 1.358 -7.297 0.643 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.671 -9.722 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.808 -10.035 1.867 1.00 0.00 H new ATOM 0 HG SER A 18 -0.392 -8.604 -0.302 1.00 0.00 H new ATOM 231 N PHE A 19 -0.974 -6.887 1.634 1.00 0.00 N ATOM 232 CA PHE A 19 -2.145 -6.325 2.297 1.00 0.00 C ATOM 233 C PHE A 19 -3.416 -6.632 1.510 1.00 0.00 C ATOM 234 O PHE A 19 -3.648 -6.071 0.440 1.00 0.00 O ATOM 235 CB PHE A 19 -1.987 -4.811 2.461 1.00 0.00 C ATOM 236 CG PHE A 19 -0.851 -4.422 3.363 1.00 0.00 C ATOM 237 CD1 PHE A 19 0.458 -4.476 2.913 1.00 0.00 C ATOM 238 CD2 PHE A 19 -1.093 -4.000 4.660 1.00 0.00 C ATOM 239 CE1 PHE A 19 1.505 -4.118 3.741 1.00 0.00 C ATOM 240 CE2 PHE A 19 -0.050 -3.641 5.493 1.00 0.00 C ATOM 241 CZ PHE A 19 1.251 -3.699 5.032 1.00 0.00 C ATOM 0 H PHE A 19 -1.010 -6.855 0.615 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.229 -6.784 3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.832 -4.361 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.914 -4.398 2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.663 -4.802 1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.108 -3.951 5.025 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.521 -4.166 3.379 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.252 -3.316 6.503 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.068 -3.417 5.680 1.00 0.00 H new ATOM 251 N SER A 20 -4.236 -7.529 2.049 1.00 0.00 N ATOM 252 CA SER A 20 -5.481 -7.916 1.397 1.00 0.00 C ATOM 253 C SER A 20 -6.223 -6.690 0.873 1.00 0.00 C ATOM 254 O SER A 20 -6.817 -6.725 -0.204 1.00 0.00 O ATOM 255 CB SER A 20 -6.373 -8.689 2.370 1.00 0.00 C ATOM 256 OG SER A 20 -5.971 -10.044 2.464 1.00 0.00 O ATOM 0 H SER A 20 -4.060 -8.001 2.936 1.00 0.00 H new ATOM 0 HA SER A 20 -5.235 -8.559 0.552 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.330 -8.224 3.355 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.410 -8.636 2.038 1.00 0.00 H new ATOM 0 HG SER A 20 -6.556 -10.516 3.093 1.00 0.00 H new ATOM 262 N GLU A 21 -6.184 -5.608 1.644 1.00 0.00 N ATOM 263 CA GLU A 21 -6.854 -4.371 1.258 1.00 0.00 C ATOM 264 C GLU A 21 -6.156 -3.724 0.066 1.00 0.00 C ATOM 265 O GLU A 21 -5.164 -4.245 -0.444 1.00 0.00 O ATOM 266 CB GLU A 21 -6.887 -3.395 2.436 1.00 0.00 C ATOM 267 CG GLU A 21 -8.094 -3.574 3.342 1.00 0.00 C ATOM 268 CD GLU A 21 -8.331 -5.024 3.717 1.00 0.00 C ATOM 269 OE1 GLU A 21 -7.491 -5.593 4.445 1.00 0.00 O ATOM 270 OE2 GLU A 21 -9.356 -5.590 3.282 1.00 0.00 O ATOM 0 H GLU A 21 -5.696 -5.563 2.539 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.876 -4.615 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.979 -3.520 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.880 -2.375 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.953 -2.986 4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.980 -3.182 2.843 1.00 0.00 H new ATOM 277 N ASP A 22 -6.682 -2.586 -0.373 1.00 0.00 N ATOM 278 CA ASP A 22 -6.110 -1.866 -1.505 1.00 0.00 C ATOM 279 C ASP A 22 -5.534 -0.524 -1.062 1.00 0.00 C ATOM 280 O ASP A 22 -4.599 -0.007 -1.672 1.00 0.00 O ATOM 281 CB ASP A 22 -7.169 -1.648 -2.586 1.00 0.00 C ATOM 282 CG ASP A 22 -7.597 -2.943 -3.248 1.00 0.00 C ATOM 283 OD1 ASP A 22 -8.260 -3.761 -2.576 1.00 0.00 O ATOM 284 OD2 ASP A 22 -7.267 -3.140 -4.436 1.00 0.00 O ATOM 0 H ASP A 22 -7.503 -2.142 0.038 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.301 -2.470 -1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.040 -1.164 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.777 -0.969 -3.343 1.00 0.00 H new ATOM 289 N ARG A 23 -6.100 0.033 0.003 1.00 0.00 N ATOM 290 CA ARG A 23 -5.645 1.316 0.527 1.00 0.00 C ATOM 291 C ARG A 23 -4.537 1.119 1.558 1.00 0.00 C ATOM 292 O ARG A 23 -3.849 2.069 1.934 1.00 0.00 O ATOM 293 CB ARG A 23 -6.813 2.077 1.157 1.00 0.00 C ATOM 294 CG ARG A 23 -7.252 1.516 2.500 1.00 0.00 C ATOM 295 CD ARG A 23 -8.734 1.749 2.744 1.00 0.00 C ATOM 296 NE ARG A 23 -9.557 0.692 2.163 1.00 0.00 N ATOM 297 CZ ARG A 23 -10.886 0.707 2.168 1.00 0.00 C ATOM 298 NH1 ARG A 23 -11.538 1.721 2.720 1.00 0.00 N ATOM 299 NH2 ARG A 23 -11.564 -0.292 1.620 1.00 0.00 N ATOM 0 H ARG A 23 -6.874 -0.383 0.520 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.246 1.899 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.528 3.121 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.660 2.059 0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.040 0.447 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.673 1.983 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.920 1.805 3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.025 2.710 2.319 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.086 -0.102 1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.020 2.492 3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.558 1.731 2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.066 -1.073 1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.584 -0.279 1.625 1.00 0.00 H new ATOM 313 N LEU A 24 -4.370 -0.118 2.011 1.00 0.00 N ATOM 314 CA LEU A 24 -3.345 -0.440 2.998 1.00 0.00 C ATOM 315 C LEU A 24 -1.978 -0.580 2.338 1.00 0.00 C ATOM 316 O LEU A 24 -0.957 -0.210 2.918 1.00 0.00 O ATOM 317 CB LEU A 24 -3.705 -1.732 3.733 1.00 0.00 C ATOM 318 CG LEU A 24 -4.749 -1.606 4.843 1.00 0.00 C ATOM 319 CD1 LEU A 24 -5.088 -2.973 5.415 1.00 0.00 C ATOM 320 CD2 LEU A 24 -4.251 -0.676 5.939 1.00 0.00 C ATOM 0 H LEU A 24 -4.931 -0.915 1.711 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.298 0.378 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.068 -2.453 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.794 -2.147 4.164 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.656 -1.179 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.832 -2.863 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.487 -3.609 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.188 -3.428 5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.006 -0.598 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.329 -1.074 6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.060 0.312 5.519 1.00 0.00 H new ATOM 332 N ILE A 25 -1.966 -1.115 1.121 1.00 0.00 N ATOM 333 CA ILE A 25 -0.724 -1.300 0.381 1.00 0.00 C ATOM 334 C ILE A 25 -0.187 0.031 -0.134 1.00 0.00 C ATOM 335 O ILE A 25 1.025 0.241 -0.198 1.00 0.00 O ATOM 336 CB ILE A 25 -0.916 -2.258 -0.809 1.00 0.00 C ATOM 337 CG1 ILE A 25 0.408 -2.458 -1.550 1.00 0.00 C ATOM 338 CG2 ILE A 25 -1.982 -1.723 -1.753 1.00 0.00 C ATOM 339 CD1 ILE A 25 1.239 -3.599 -1.006 1.00 0.00 C ATOM 0 H ILE A 25 -2.802 -1.428 0.627 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.005 -1.735 1.075 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.247 -3.224 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.201 -2.641 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.989 -1.537 -1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.106 -2.411 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.927 -1.628 -1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.678 -0.746 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.162 -3.682 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.477 -3.409 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.677 -4.529 -1.087 1.00 0.00 H new ATOM 351 N LYS A 26 -1.096 0.929 -0.498 1.00 0.00 N ATOM 352 CA LYS A 26 -0.715 2.242 -1.004 1.00 0.00 C ATOM 353 C LYS A 26 -0.329 3.175 0.139 1.00 0.00 C ATOM 354 O LYS A 26 0.592 3.982 0.010 1.00 0.00 O ATOM 355 CB LYS A 26 -1.864 2.853 -1.809 1.00 0.00 C ATOM 356 CG LYS A 26 -3.014 3.347 -0.949 1.00 0.00 C ATOM 357 CD LYS A 26 -2.834 4.805 -0.560 1.00 0.00 C ATOM 358 CE LYS A 26 -3.846 5.230 0.493 1.00 0.00 C ATOM 359 NZ LYS A 26 -5.158 5.589 -0.111 1.00 0.00 N ATOM 0 H LYS A 26 -2.103 0.771 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 26 0.151 2.116 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.480 3.684 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.240 2.109 -2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.952 3.227 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.085 2.736 -0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.824 4.959 -0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.941 5.434 -1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.986 4.421 1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.456 6.083 1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.820 5.873 0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.030 6.378 -0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.543 4.767 -0.619 1.00 0.00 H new ATOM 373 N SER A 27 -1.036 3.057 1.258 1.00 0.00 N ATOM 374 CA SER A 27 -0.769 3.892 2.423 1.00 0.00 C ATOM 375 C SER A 27 0.430 3.364 3.206 1.00 0.00 C ATOM 376 O SER A 27 1.047 4.091 3.985 1.00 0.00 O ATOM 377 CB SER A 27 -1.999 3.949 3.330 1.00 0.00 C ATOM 378 OG SER A 27 -1.729 4.683 4.511 1.00 0.00 O ATOM 0 H SER A 27 -1.798 2.391 1.383 1.00 0.00 H new ATOM 0 HA SER A 27 -0.539 4.898 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.829 4.409 2.794 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.310 2.937 3.590 1.00 0.00 H new ATOM 0 HG SER A 27 -2.532 4.706 5.073 1.00 0.00 H new ATOM 384 N HIS A 28 0.754 2.092 2.992 1.00 0.00 N ATOM 385 CA HIS A 28 1.879 1.465 3.677 1.00 0.00 C ATOM 386 C HIS A 28 3.203 1.888 3.047 1.00 0.00 C ATOM 387 O HIS A 28 4.030 2.533 3.691 1.00 0.00 O ATOM 388 CB HIS A 28 1.744 -0.057 3.636 1.00 0.00 C ATOM 389 CG HIS A 28 3.055 -0.777 3.705 1.00 0.00 C ATOM 390 ND1 HIS A 28 3.525 -1.375 4.855 1.00 0.00 N ATOM 391 CD2 HIS A 28 3.997 -0.995 2.758 1.00 0.00 C ATOM 392 CE1 HIS A 28 4.700 -1.928 4.613 1.00 0.00 C ATOM 393 NE2 HIS A 28 5.009 -1.712 3.347 1.00 0.00 N ATOM 0 H HIS A 28 0.254 1.476 2.351 1.00 0.00 H new ATOM 0 HA HIS A 28 1.870 1.795 4.716 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.117 -0.380 4.467 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.230 -0.343 2.719 1.00 0.00 H new ATOM 0 HD1 HIS A 28 3.041 -1.388 5.753 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.960 -0.666 1.730 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.305 -2.465 5.328 1.00 0.00 H new ATOM 401 N ILE A 29 3.395 1.519 1.785 1.00 0.00 N ATOM 402 CA ILE A 29 4.618 1.860 1.068 1.00 0.00 C ATOM 403 C ILE A 29 5.018 3.310 1.322 1.00 0.00 C ATOM 404 O ILE A 29 6.183 3.679 1.178 1.00 0.00 O ATOM 405 CB ILE A 29 4.462 1.640 -0.448 1.00 0.00 C ATOM 406 CG1 ILE A 29 4.120 0.177 -0.741 1.00 0.00 C ATOM 407 CG2 ILE A 29 5.734 2.048 -1.176 1.00 0.00 C ATOM 408 CD1 ILE A 29 3.794 -0.088 -2.194 1.00 0.00 C ATOM 0 H ILE A 29 2.720 0.984 1.238 1.00 0.00 H new ATOM 0 HA ILE A 29 5.399 1.199 1.444 1.00 0.00 H new ATOM 0 HB ILE A 29 3.644 2.264 -0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.961 -0.450 -0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.270 -0.119 -0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.608 1.887 -2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.938 3.102 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.569 1.448 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.562 -1.145 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.934 0.513 -2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.651 0.176 -2.813 1.00 0.00 H new ATOM 420 N LYS A 30 4.042 4.129 1.701 1.00 0.00 N ATOM 421 CA LYS A 30 4.291 5.538 1.978 1.00 0.00 C ATOM 422 C LYS A 30 4.900 5.721 3.365 1.00 0.00 C ATOM 423 O LYS A 30 6.048 6.146 3.499 1.00 0.00 O ATOM 424 CB LYS A 30 2.990 6.337 1.872 1.00 0.00 C ATOM 425 CG LYS A 30 3.203 7.808 1.557 1.00 0.00 C ATOM 426 CD LYS A 30 2.030 8.389 0.787 1.00 0.00 C ATOM 427 CE LYS A 30 0.929 8.864 1.723 1.00 0.00 C ATOM 428 NZ LYS A 30 0.061 7.741 2.174 1.00 0.00 N ATOM 0 H LYS A 30 3.071 3.840 1.823 1.00 0.00 H new ATOM 0 HA LYS A 30 5.000 5.908 1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.364 5.895 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.443 6.251 2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.341 8.363 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.117 7.928 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.373 9.223 0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.631 7.636 0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.375 9.350 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.320 9.613 1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.859 8.116 2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.083 7.076 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.517 7.246 2.967 1.00 0.00 H new ATOM 442 N THR A 31 4.125 5.396 4.395 1.00 0.00 N ATOM 443 CA THR A 31 4.588 5.523 5.770 1.00 0.00 C ATOM 444 C THR A 31 5.803 4.639 6.026 1.00 0.00 C ATOM 445 O THR A 31 6.819 5.099 6.545 1.00 0.00 O ATOM 446 CB THR A 31 3.479 5.155 6.773 1.00 0.00 C ATOM 447 OG1 THR A 31 3.949 5.337 8.113 1.00 0.00 O ATOM 448 CG2 THR A 31 3.031 3.714 6.579 1.00 0.00 C ATOM 0 H THR A 31 3.173 5.043 4.302 1.00 0.00 H new ATOM 0 HA THR A 31 4.866 6.567 5.914 1.00 0.00 H new ATOM 0 HB THR A 31 2.627 5.811 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.237 5.102 8.744 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.247 3.477 7.298 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.646 3.586 5.567 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.878 3.046 6.732 1.00 0.00 H new ATOM 456 N ASN A 32 5.691 3.367 5.657 1.00 0.00 N ATOM 457 CA ASN A 32 6.781 2.417 5.847 1.00 0.00 C ATOM 458 C ASN A 32 8.002 2.819 5.024 1.00 0.00 C ATOM 459 O ASN A 32 9.137 2.735 5.495 1.00 0.00 O ATOM 460 CB ASN A 32 6.331 1.008 5.458 1.00 0.00 C ATOM 461 CG ASN A 32 5.559 0.320 6.567 1.00 0.00 C ATOM 462 OD1 ASN A 32 6.107 -0.497 7.306 1.00 0.00 O ATOM 463 ND2 ASN A 32 4.278 0.650 6.688 1.00 0.00 N ATOM 0 H ASN A 32 4.857 2.970 5.225 1.00 0.00 H new ATOM 0 HA ASN A 32 7.057 2.424 6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.708 1.062 4.565 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.204 0.409 5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.707 0.221 7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.865 1.333 6.053 1.00 0.00 H new ATOM 470 N HIS A 33 7.760 3.257 3.792 1.00 0.00 N ATOM 471 CA HIS A 33 8.839 3.673 2.904 1.00 0.00 C ATOM 472 C HIS A 33 8.579 5.071 2.352 1.00 0.00 C ATOM 473 O HIS A 33 8.093 5.244 1.234 1.00 0.00 O ATOM 474 CB HIS A 33 8.993 2.678 1.753 1.00 0.00 C ATOM 475 CG HIS A 33 8.841 1.249 2.172 1.00 0.00 C ATOM 476 ND1 HIS A 33 9.644 0.654 3.122 1.00 0.00 N ATOM 477 CD2 HIS A 33 7.971 0.294 1.766 1.00 0.00 C ATOM 478 CE1 HIS A 33 9.276 -0.605 3.281 1.00 0.00 C ATOM 479 NE2 HIS A 33 8.262 -0.848 2.470 1.00 0.00 N ATOM 0 H HIS A 33 6.827 3.333 3.387 1.00 0.00 H new ATOM 0 HA HIS A 33 9.763 3.695 3.481 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.252 2.904 0.987 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.974 2.812 1.297 1.00 0.00 H new ATOM 0 HD1 HIS A 33 10.404 1.114 3.624 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.193 0.409 1.026 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.727 -1.315 3.959 1.00 0.00 H new ATOM 487 N PRO A 34 8.910 6.095 3.153 1.00 0.00 N ATOM 488 CA PRO A 34 8.721 7.496 2.766 1.00 0.00 C ATOM 489 C PRO A 34 9.678 7.926 1.659 1.00 0.00 C ATOM 490 O PRO A 34 9.265 8.531 0.670 1.00 0.00 O ATOM 491 CB PRO A 34 9.018 8.264 4.057 1.00 0.00 C ATOM 492 CG PRO A 34 9.919 7.367 4.832 1.00 0.00 C ATOM 493 CD PRO A 34 9.494 5.963 4.498 1.00 0.00 C ATOM 0 HA PRO A 34 7.723 7.677 2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.496 9.221 3.847 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.103 8.479 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.962 7.534 4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.832 7.557 5.902 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.339 5.275 4.503 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.768 5.581 5.216 1.00 0.00 H new ATOM 501 N GLU A 35 10.957 7.608 1.832 1.00 0.00 N ATOM 502 CA GLU A 35 11.972 7.963 0.847 1.00 0.00 C ATOM 503 C GLU A 35 12.559 6.713 0.197 1.00 0.00 C ATOM 504 O GLU A 35 13.239 6.793 -0.827 1.00 0.00 O ATOM 505 CB GLU A 35 13.086 8.782 1.501 1.00 0.00 C ATOM 506 CG GLU A 35 14.015 7.957 2.375 1.00 0.00 C ATOM 507 CD GLU A 35 13.524 7.845 3.806 1.00 0.00 C ATOM 508 OE1 GLU A 35 13.679 8.826 4.564 1.00 0.00 O ATOM 509 OE2 GLU A 35 12.985 6.778 4.167 1.00 0.00 O ATOM 0 H GLU A 35 11.315 7.106 2.644 1.00 0.00 H new ATOM 0 HA GLU A 35 11.496 8.565 0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.672 9.270 0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.638 9.571 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.116 6.958 1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 35 15.008 8.407 2.370 1.00 0.00 H new ATOM 516 N VAL A 36 12.291 5.558 0.799 1.00 0.00 N ATOM 517 CA VAL A 36 12.792 4.291 0.280 1.00 0.00 C ATOM 518 C VAL A 36 11.808 3.675 -0.708 1.00 0.00 C ATOM 519 O VAL A 36 11.381 2.532 -0.545 1.00 0.00 O ATOM 520 CB VAL A 36 13.059 3.286 1.416 1.00 0.00 C ATOM 521 CG1 VAL A 36 13.854 2.096 0.900 1.00 0.00 C ATOM 522 CG2 VAL A 36 13.786 3.964 2.567 1.00 0.00 C ATOM 0 H VAL A 36 11.730 5.474 1.647 1.00 0.00 H new ATOM 0 HA VAL A 36 13.730 4.507 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 36 12.101 2.920 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.033 1.397 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.291 1.597 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 36 14.808 2.441 0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.966 3.239 3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.738 4.359 2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.175 4.780 2.953 1.00 0.00 H new ATOM 532 N SER A 37 11.452 4.440 -1.735 1.00 0.00 N ATOM 533 CA SER A 37 10.515 3.971 -2.750 1.00 0.00 C ATOM 534 C SER A 37 9.377 3.179 -2.113 1.00 0.00 C ATOM 535 O SER A 37 8.822 2.294 -2.762 1.00 0.00 O ATOM 536 CB SER A 37 11.240 3.105 -3.782 1.00 0.00 C ATOM 537 OG SER A 37 11.620 1.859 -3.224 1.00 0.00 O ATOM 0 H SER A 37 11.798 5.387 -1.886 1.00 0.00 H new ATOM 0 HA SER A 37 10.092 4.842 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.592 2.939 -4.642 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.124 3.629 -4.145 1.00 0.00 H new ATOM 0 HG SER A 37 11.486 1.881 -2.253 1.00 0.00 H new TER 543 SER A 37 HETATM 544 ZN ZN A 181 6.880 -2.298 2.600 1.00 0.00 ZN