USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 748 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 47 HIS HD1 : A 47 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 149:sc= -0.14 (180deg=-0.893) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.009 X(o=-0.009,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.39) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.052) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.352 K(o=0.35,f=-1.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc=-0.00231 K(o=-0.0023,f=-1.7!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 164:sc= -0.912! USER MOD Single : A 52 ASN : amide:sc= -0.669 X(o=-0.67,f=-0.24) USER MOD Single : A 55 THR OG1 : rot 64:sc= -0.143 USER MOD Single : A 59 SER OG : rot 180:sc= -0.196 USER MOD Single : A 61 SER OG : rot -170:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.055 K(o=-0.055,f=-1.3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 11:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.345 -23.461 -43.099 1.00 0.00 N ATOM 2 CA MET A 1 25.233 -22.348 -42.653 1.00 0.00 C ATOM 3 C MET A 1 25.820 -22.663 -41.274 1.00 0.00 C ATOM 4 O MET A 1 25.129 -22.627 -40.274 1.00 0.00 O ATOM 5 CB MET A 1 24.325 -21.119 -42.584 1.00 0.00 C ATOM 6 CG MET A 1 25.154 -19.893 -42.196 1.00 0.00 C ATOM 7 SD MET A 1 26.255 -19.449 -43.563 1.00 0.00 S ATOM 8 CE MET A 1 24.990 -18.758 -44.657 1.00 0.00 C ATOM 0 H1 MET A 1 23.952 -23.237 -44.036 1.00 0.00 H new ATOM 0 H2 MET A 1 24.895 -24.342 -43.156 1.00 0.00 H new ATOM 0 H3 MET A 1 23.569 -23.580 -42.417 1.00 0.00 H new ATOM 0 HA MET A 1 26.074 -22.193 -43.328 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.843 -20.955 -43.548 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.532 -21.280 -41.854 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.496 -19.057 -41.959 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.737 -20.104 -41.300 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.428 -17.966 -45.265 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.603 -19.543 -45.307 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.176 -18.348 -44.059 1.00 0.00 H new ATOM 20 N GLY A 2 27.091 -22.974 -41.219 1.00 0.00 N ATOM 21 CA GLY A 2 27.731 -23.295 -39.911 1.00 0.00 C ATOM 22 C GLY A 2 27.341 -24.713 -39.489 1.00 0.00 C ATOM 23 O GLY A 2 26.663 -25.419 -40.213 1.00 0.00 O ATOM 0 H GLY A 2 27.712 -23.019 -42.027 1.00 0.00 H new ATOM 0 HA2 GLY A 2 28.815 -23.214 -39.994 1.00 0.00 H new ATOM 0 HA3 GLY A 2 27.415 -22.578 -39.153 1.00 0.00 H new ATOM 27 N ASN A 3 27.763 -25.135 -38.324 1.00 0.00 N ATOM 28 CA ASN A 3 27.418 -26.508 -37.850 1.00 0.00 C ATOM 29 C ASN A 3 26.339 -26.436 -36.765 1.00 0.00 C ATOM 30 O ASN A 3 26.450 -25.676 -35.821 1.00 0.00 O ATOM 31 CB ASN A 3 28.723 -27.064 -37.280 1.00 0.00 C ATOM 32 CG ASN A 3 29.740 -27.238 -38.409 1.00 0.00 C ATOM 33 OD1 ASN A 3 30.831 -26.708 -38.348 1.00 0.00 O ATOM 34 ND2 ASN A 3 29.427 -27.966 -39.446 1.00 0.00 N ATOM 0 H ASN A 3 28.333 -24.586 -37.680 1.00 0.00 H new ATOM 0 HA ASN A 3 27.021 -27.137 -38.647 1.00 0.00 H new ATOM 0 HB2 ASN A 3 29.118 -26.388 -36.521 1.00 0.00 H new ATOM 0 HB3 ASN A 3 28.540 -28.021 -36.790 1.00 0.00 H new ATOM 0 HD21 ASN A 3 30.098 -28.089 -40.204 1.00 0.00 H new ATOM 0 HD22 ASN A 3 28.511 -28.412 -39.498 1.00 0.00 H new ATOM 41 N LYS A 4 25.298 -27.221 -36.894 1.00 0.00 N ATOM 42 CA LYS A 4 24.207 -27.201 -35.871 1.00 0.00 C ATOM 43 C LYS A 4 24.576 -28.077 -34.665 1.00 0.00 C ATOM 44 O LYS A 4 24.018 -27.928 -33.595 1.00 0.00 O ATOM 45 CB LYS A 4 22.977 -27.757 -36.590 1.00 0.00 C ATOM 46 CG LYS A 4 22.537 -26.777 -37.679 1.00 0.00 C ATOM 47 CD LYS A 4 21.290 -27.317 -38.380 1.00 0.00 C ATOM 48 CE LYS A 4 20.851 -26.336 -39.469 1.00 0.00 C ATOM 49 NZ LYS A 4 19.620 -26.937 -40.055 1.00 0.00 N ATOM 0 H LYS A 4 25.157 -27.875 -37.664 1.00 0.00 H new ATOM 0 HA LYS A 4 24.032 -26.198 -35.481 1.00 0.00 H new ATOM 0 HB2 LYS A 4 23.207 -28.727 -37.030 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.167 -27.914 -35.878 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.327 -25.801 -37.241 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.341 -26.636 -38.402 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.500 -28.293 -38.818 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.486 -27.458 -37.657 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.649 -25.349 -39.053 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.627 -26.211 -40.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.259 -26.321 -40.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.844 -27.873 -40.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.897 -27.038 -39.315 1.00 0.00 H new ATOM 63 N GLN A 5 25.507 -28.985 -34.829 1.00 0.00 N ATOM 64 CA GLN A 5 25.910 -29.866 -33.688 1.00 0.00 C ATOM 65 C GLN A 5 27.109 -29.271 -32.933 1.00 0.00 C ATOM 66 O GLN A 5 27.527 -29.797 -31.918 1.00 0.00 O ATOM 67 CB GLN A 5 26.295 -31.198 -34.333 1.00 0.00 C ATOM 68 CG GLN A 5 25.056 -31.848 -34.954 1.00 0.00 C ATOM 69 CD GLN A 5 24.057 -32.204 -33.850 1.00 0.00 C ATOM 70 OE1 GLN A 5 24.413 -32.826 -32.870 1.00 0.00 O ATOM 71 NE2 GLN A 5 22.812 -31.833 -33.969 1.00 0.00 N ATOM 0 H GLN A 5 26.005 -29.154 -35.703 1.00 0.00 H new ATOM 0 HA GLN A 5 25.107 -29.976 -32.959 1.00 0.00 H new ATOM 0 HB2 GLN A 5 27.055 -31.037 -35.098 1.00 0.00 H new ATOM 0 HB3 GLN A 5 26.730 -31.862 -33.586 1.00 0.00 H new ATOM 0 HG2 GLN A 5 24.595 -31.167 -35.670 1.00 0.00 H new ATOM 0 HG3 GLN A 5 25.340 -32.745 -35.505 1.00 0.00 H new ATOM 0 HE21 GLN A 5 22.512 -31.310 -34.792 1.00 0.00 H new ATOM 0 HE22 GLN A 5 22.139 -32.066 -33.239 1.00 0.00 H new ATOM 80 N ALA A 6 27.665 -28.183 -33.417 1.00 0.00 N ATOM 81 CA ALA A 6 28.833 -27.562 -32.726 1.00 0.00 C ATOM 82 C ALA A 6 28.523 -26.107 -32.370 1.00 0.00 C ATOM 83 O ALA A 6 28.622 -25.225 -33.201 1.00 0.00 O ATOM 84 CB ALA A 6 29.973 -27.630 -33.743 1.00 0.00 C ATOM 0 H ALA A 6 27.357 -27.701 -34.262 1.00 0.00 H new ATOM 0 HA ALA A 6 29.082 -28.072 -31.795 1.00 0.00 H new ATOM 0 HB1 ALA A 6 30.873 -27.192 -33.311 1.00 0.00 H new ATOM 0 HB2 ALA A 6 30.166 -28.670 -34.004 1.00 0.00 H new ATOM 0 HB3 ALA A 6 29.694 -27.076 -34.640 1.00 0.00 H new ATOM 90 N LYS A 7 28.147 -25.847 -31.138 1.00 0.00 N ATOM 91 CA LYS A 7 27.826 -24.441 -30.719 1.00 0.00 C ATOM 92 C LYS A 7 26.788 -23.822 -31.665 1.00 0.00 C ATOM 93 O LYS A 7 27.130 -23.141 -32.614 1.00 0.00 O ATOM 94 CB LYS A 7 29.154 -23.679 -30.801 1.00 0.00 C ATOM 95 CG LYS A 7 29.351 -22.837 -29.539 1.00 0.00 C ATOM 96 CD LYS A 7 30.751 -22.227 -29.556 1.00 0.00 C ATOM 97 CE LYS A 7 30.847 -21.200 -30.685 1.00 0.00 C ATOM 98 NZ LYS A 7 32.216 -20.628 -30.566 1.00 0.00 N ATOM 0 H LYS A 7 28.048 -26.548 -30.404 1.00 0.00 H new ATOM 0 HA LYS A 7 27.400 -24.403 -29.717 1.00 0.00 H new ATOM 0 HB2 LYS A 7 29.980 -24.382 -30.912 1.00 0.00 H new ATOM 0 HB3 LYS A 7 29.161 -23.037 -31.682 1.00 0.00 H new ATOM 0 HG2 LYS A 7 28.599 -22.050 -29.492 1.00 0.00 H new ATOM 0 HG3 LYS A 7 29.221 -23.455 -28.651 1.00 0.00 H new ATOM 0 HD2 LYS A 7 30.963 -21.751 -28.599 1.00 0.00 H new ATOM 0 HD3 LYS A 7 31.498 -23.008 -29.696 1.00 0.00 H new ATOM 0 HE2 LYS A 7 30.697 -21.667 -31.658 1.00 0.00 H new ATOM 0 HE3 LYS A 7 30.085 -20.427 -30.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 32.359 -19.913 -31.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 32.327 -20.184 -29.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 32.920 -21.386 -30.675 1.00 0.00 H new ATOM 112 N ALA A 8 25.525 -24.059 -31.415 1.00 0.00 N ATOM 113 CA ALA A 8 24.464 -23.493 -32.301 1.00 0.00 C ATOM 114 C ALA A 8 23.843 -22.239 -31.670 1.00 0.00 C ATOM 115 O ALA A 8 24.049 -21.970 -30.503 1.00 0.00 O ATOM 116 CB ALA A 8 23.419 -24.600 -32.427 1.00 0.00 C ATOM 0 H ALA A 8 25.183 -24.620 -30.635 1.00 0.00 H new ATOM 0 HA ALA A 8 24.862 -23.192 -33.270 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.604 -24.260 -33.065 1.00 0.00 H new ATOM 0 HB2 ALA A 8 23.878 -25.486 -32.866 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.028 -24.846 -31.440 1.00 0.00 H new ATOM 122 N PRO A 9 23.096 -21.503 -32.465 1.00 0.00 N ATOM 123 CA PRO A 9 22.446 -20.270 -31.958 1.00 0.00 C ATOM 124 C PRO A 9 21.288 -20.627 -31.023 1.00 0.00 C ATOM 125 O PRO A 9 20.689 -21.679 -31.141 1.00 0.00 O ATOM 126 CB PRO A 9 21.941 -19.581 -33.224 1.00 0.00 C ATOM 127 CG PRO A 9 21.762 -20.683 -34.218 1.00 0.00 C ATOM 128 CD PRO A 9 22.781 -21.742 -33.886 1.00 0.00 C ATOM 0 HA PRO A 9 23.117 -19.636 -31.379 1.00 0.00 H new ATOM 0 HB2 PRO A 9 21.002 -19.058 -33.041 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.655 -18.839 -33.581 1.00 0.00 H new ATOM 0 HG2 PRO A 9 20.752 -21.089 -34.166 1.00 0.00 H new ATOM 0 HG3 PRO A 9 21.905 -20.314 -35.234 1.00 0.00 H new ATOM 0 HD2 PRO A 9 22.381 -22.744 -34.043 1.00 0.00 H new ATOM 0 HD3 PRO A 9 23.669 -21.652 -34.512 1.00 0.00 H new ATOM 136 N GLU A 10 20.969 -19.759 -30.097 1.00 0.00 N ATOM 137 CA GLU A 10 19.851 -20.045 -29.151 1.00 0.00 C ATOM 138 C GLU A 10 18.841 -18.893 -29.160 1.00 0.00 C ATOM 139 O GLU A 10 19.209 -17.734 -29.166 1.00 0.00 O ATOM 140 CB GLU A 10 20.512 -20.167 -27.778 1.00 0.00 C ATOM 141 CG GLU A 10 21.389 -21.421 -27.743 1.00 0.00 C ATOM 142 CD GLU A 10 22.122 -21.495 -26.401 1.00 0.00 C ATOM 143 OE1 GLU A 10 22.574 -20.460 -25.938 1.00 0.00 O ATOM 144 OE2 GLU A 10 22.221 -22.584 -25.862 1.00 0.00 O ATOM 0 H GLU A 10 21.436 -18.863 -29.956 1.00 0.00 H new ATOM 0 HA GLU A 10 19.305 -20.949 -29.421 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.115 -19.283 -27.573 1.00 0.00 H new ATOM 0 HB3 GLU A 10 19.751 -20.221 -27.000 1.00 0.00 H new ATOM 0 HG2 GLU A 10 20.775 -22.311 -27.884 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.108 -21.397 -28.561 1.00 0.00 H new ATOM 151 N SER A 11 17.572 -19.211 -29.157 1.00 0.00 N ATOM 152 CA SER A 11 16.526 -18.146 -29.161 1.00 0.00 C ATOM 153 C SER A 11 15.403 -18.513 -28.188 1.00 0.00 C ATOM 154 O SER A 11 15.059 -19.670 -28.037 1.00 0.00 O ATOM 155 CB SER A 11 16.004 -18.108 -30.597 1.00 0.00 C ATOM 156 OG SER A 11 15.008 -17.099 -30.709 1.00 0.00 O ATOM 0 H SER A 11 17.215 -20.166 -29.152 1.00 0.00 H new ATOM 0 HA SER A 11 16.917 -17.178 -28.847 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.822 -17.906 -31.288 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.588 -19.078 -30.871 1.00 0.00 H new ATOM 0 HG SER A 11 14.673 -17.071 -31.629 1.00 0.00 H new ATOM 162 N LYS A 12 14.835 -17.537 -27.527 1.00 0.00 N ATOM 163 CA LYS A 12 13.734 -17.824 -26.560 1.00 0.00 C ATOM 164 C LYS A 12 12.388 -17.864 -27.288 1.00 0.00 C ATOM 165 O LYS A 12 11.712 -16.861 -27.418 1.00 0.00 O ATOM 166 CB LYS A 12 13.768 -16.665 -25.565 1.00 0.00 C ATOM 167 CG LYS A 12 12.748 -16.916 -24.453 1.00 0.00 C ATOM 168 CD LYS A 12 12.784 -15.756 -23.454 1.00 0.00 C ATOM 169 CE LYS A 12 14.049 -15.854 -22.600 1.00 0.00 C ATOM 170 NZ LYS A 12 13.980 -14.686 -21.680 1.00 0.00 N ATOM 0 H LYS A 12 15.087 -16.553 -27.616 1.00 0.00 H new ATOM 0 HA LYS A 12 13.859 -18.788 -26.068 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.767 -16.565 -25.141 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.543 -15.728 -26.074 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.749 -17.013 -24.877 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.972 -17.854 -23.945 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.764 -14.804 -23.985 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.900 -15.784 -22.817 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.080 -16.792 -22.046 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.947 -15.818 -23.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.815 -14.683 -21.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.958 -13.807 -22.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.119 -14.751 -21.101 1.00 0.00 H new ATOM 184 N ASP A 13 11.994 -19.022 -27.756 1.00 0.00 N ATOM 185 CA ASP A 13 10.686 -19.144 -28.470 1.00 0.00 C ATOM 186 C ASP A 13 9.532 -19.112 -27.466 1.00 0.00 C ATOM 187 O ASP A 13 9.619 -19.673 -26.391 1.00 0.00 O ATOM 188 CB ASP A 13 10.741 -20.497 -29.187 1.00 0.00 C ATOM 189 CG ASP A 13 11.548 -20.376 -30.487 1.00 0.00 C ATOM 190 OD1 ASP A 13 11.680 -19.269 -30.988 1.00 0.00 O ATOM 191 OD2 ASP A 13 12.023 -21.395 -30.959 1.00 0.00 O ATOM 0 H ASP A 13 12.523 -19.890 -27.674 1.00 0.00 H new ATOM 0 HA ASP A 13 10.522 -18.324 -29.169 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.196 -21.243 -28.536 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.731 -20.841 -29.408 1.00 0.00 H new ATOM 196 N SER A 14 8.447 -18.456 -27.810 1.00 0.00 N ATOM 197 CA SER A 14 7.270 -18.375 -26.882 1.00 0.00 C ATOM 198 C SER A 14 7.714 -17.855 -25.503 1.00 0.00 C ATOM 199 O SER A 14 8.086 -18.632 -24.646 1.00 0.00 O ATOM 200 CB SER A 14 6.730 -19.807 -26.781 1.00 0.00 C ATOM 201 OG SER A 14 5.384 -19.770 -26.326 1.00 0.00 O ATOM 0 H SER A 14 8.325 -17.970 -28.699 1.00 0.00 H new ATOM 0 HA SER A 14 6.507 -17.687 -27.246 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.784 -20.298 -27.753 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.342 -20.391 -26.094 1.00 0.00 H new ATOM 0 HG SER A 14 5.035 -20.684 -26.262 1.00 0.00 H new ATOM 207 N PRO A 15 7.674 -16.548 -25.335 1.00 0.00 N ATOM 208 CA PRO A 15 8.096 -15.940 -24.046 1.00 0.00 C ATOM 209 C PRO A 15 7.065 -16.224 -22.950 1.00 0.00 C ATOM 210 O PRO A 15 5.902 -16.454 -23.224 1.00 0.00 O ATOM 211 CB PRO A 15 8.171 -14.448 -24.357 1.00 0.00 C ATOM 212 CG PRO A 15 7.238 -14.244 -25.507 1.00 0.00 C ATOM 213 CD PRO A 15 7.235 -15.525 -26.303 1.00 0.00 C ATOM 0 HA PRO A 15 9.041 -16.339 -23.676 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.872 -13.850 -23.496 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.187 -14.149 -24.616 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.235 -14.007 -25.153 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.564 -13.407 -26.124 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.243 -15.748 -26.697 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.911 -15.466 -27.156 1.00 0.00 H new ATOM 221 N ARG A 16 7.487 -16.206 -21.711 1.00 0.00 N ATOM 222 CA ARG A 16 6.539 -16.471 -20.588 1.00 0.00 C ATOM 223 C ARG A 16 5.688 -15.230 -20.319 1.00 0.00 C ATOM 224 O ARG A 16 6.160 -14.112 -20.412 1.00 0.00 O ATOM 225 CB ARG A 16 7.423 -16.786 -19.380 1.00 0.00 C ATOM 226 CG ARG A 16 8.148 -18.115 -19.605 1.00 0.00 C ATOM 227 CD ARG A 16 9.040 -18.424 -18.399 1.00 0.00 C ATOM 228 NE ARG A 16 9.695 -19.724 -18.725 1.00 0.00 N ATOM 229 CZ ARG A 16 10.291 -20.411 -17.787 1.00 0.00 C ATOM 230 NH1 ARG A 16 9.714 -20.572 -16.627 1.00 0.00 N ATOM 231 NH2 ARG A 16 11.462 -20.939 -18.011 1.00 0.00 N ATOM 0 H ARG A 16 8.449 -16.019 -21.429 1.00 0.00 H new ATOM 0 HA ARG A 16 5.854 -17.289 -20.811 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.148 -15.986 -19.229 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.815 -16.840 -18.477 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.423 -18.916 -19.749 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.750 -18.063 -20.512 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.779 -17.638 -18.243 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.454 -18.496 -17.483 1.00 0.00 H new ATOM 0 HE ARG A 16 9.678 -20.077 -19.682 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.797 -20.161 -16.452 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.180 -21.109 -15.896 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.912 -20.816 -18.918 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.928 -21.475 -17.279 1.00 0.00 H new ATOM 245 N ALA A 17 4.436 -15.420 -19.987 1.00 0.00 N ATOM 246 CA ALA A 17 3.546 -14.254 -19.709 1.00 0.00 C ATOM 247 C ALA A 17 2.657 -14.541 -18.493 1.00 0.00 C ATOM 248 O ALA A 17 2.093 -15.610 -18.367 1.00 0.00 O ATOM 249 CB ALA A 17 2.699 -14.100 -20.971 1.00 0.00 C ATOM 0 H ALA A 17 3.992 -16.334 -19.897 1.00 0.00 H new ATOM 0 HA ALA A 17 4.108 -13.348 -19.480 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.014 -13.261 -20.849 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.350 -13.916 -21.826 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.128 -15.013 -21.139 1.00 0.00 H new ATOM 255 N SER A 18 2.529 -13.589 -17.599 1.00 0.00 N ATOM 256 CA SER A 18 1.675 -13.798 -16.389 1.00 0.00 C ATOM 257 C SER A 18 0.390 -12.964 -16.500 1.00 0.00 C ATOM 258 O SER A 18 -0.685 -13.490 -16.722 1.00 0.00 O ATOM 259 CB SER A 18 2.536 -13.329 -15.215 1.00 0.00 C ATOM 260 OG SER A 18 3.683 -14.163 -15.112 1.00 0.00 O ATOM 0 H SER A 18 2.980 -12.676 -17.656 1.00 0.00 H new ATOM 0 HA SER A 18 1.363 -14.836 -16.270 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.838 -12.292 -15.362 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.961 -13.366 -14.290 1.00 0.00 H new ATOM 0 HG SER A 18 4.238 -13.864 -14.362 1.00 0.00 H new ATOM 266 N LEU A 19 0.499 -11.666 -16.356 1.00 0.00 N ATOM 267 CA LEU A 19 -0.710 -10.788 -16.463 1.00 0.00 C ATOM 268 C LEU A 19 -0.578 -9.850 -17.668 1.00 0.00 C ATOM 269 O LEU A 19 0.410 -9.151 -17.812 1.00 0.00 O ATOM 270 CB LEU A 19 -0.735 -9.955 -15.181 1.00 0.00 C ATOM 271 CG LEU A 19 -0.890 -10.858 -13.953 1.00 0.00 C ATOM 272 CD1 LEU A 19 -0.729 -10.016 -12.689 1.00 0.00 C ATOM 273 CD2 LEU A 19 -2.279 -11.504 -13.950 1.00 0.00 C ATOM 0 H LEU A 19 1.373 -11.175 -16.169 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.617 -11.378 -16.591 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.185 -9.376 -15.099 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.558 -9.242 -15.221 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.130 -11.639 -13.983 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.838 -10.653 -11.811 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.259 -9.555 -12.682 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.492 -9.238 -12.670 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.381 -12.144 -13.074 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.042 -10.726 -13.922 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.404 -12.102 -14.853 1.00 0.00 H new ATOM 285 N ILE A 20 -1.568 -9.815 -18.519 1.00 0.00 N ATOM 286 CA ILE A 20 -1.506 -8.906 -19.699 1.00 0.00 C ATOM 287 C ILE A 20 -1.587 -7.443 -19.210 1.00 0.00 C ATOM 288 O ILE A 20 -0.708 -6.654 -19.503 1.00 0.00 O ATOM 289 CB ILE A 20 -2.717 -9.317 -20.577 1.00 0.00 C ATOM 290 CG1 ILE A 20 -2.292 -10.417 -21.552 1.00 0.00 C ATOM 291 CG2 ILE A 20 -3.267 -8.132 -21.393 1.00 0.00 C ATOM 292 CD1 ILE A 20 -3.540 -11.116 -22.092 1.00 0.00 C ATOM 0 H ILE A 20 -2.417 -10.376 -18.448 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.582 -8.983 -20.272 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.500 -9.669 -19.906 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.715 -9.990 -22.373 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.646 -11.136 -21.049 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.114 -8.465 -21.993 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.591 -7.343 -20.715 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.486 -7.748 -22.049 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.245 -11.901 -22.788 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.098 -11.555 -21.265 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.168 -10.391 -22.609 1.00 0.00 H new ATOM 304 N PRO A 21 -2.642 -7.121 -18.486 1.00 0.00 N ATOM 305 CA PRO A 21 -2.809 -5.736 -17.982 1.00 0.00 C ATOM 306 C PRO A 21 -1.838 -5.458 -16.833 1.00 0.00 C ATOM 307 O PRO A 21 -1.389 -6.363 -16.155 1.00 0.00 O ATOM 308 CB PRO A 21 -4.251 -5.702 -17.488 1.00 0.00 C ATOM 309 CG PRO A 21 -4.579 -7.119 -17.151 1.00 0.00 C ATOM 310 CD PRO A 21 -3.762 -7.990 -18.066 1.00 0.00 C ATOM 0 HA PRO A 21 -2.604 -4.982 -18.742 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.354 -5.055 -16.617 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.921 -5.314 -18.255 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.346 -7.331 -16.107 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.644 -7.311 -17.285 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.403 -8.882 -17.552 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.347 -8.328 -18.922 1.00 0.00 H new ATOM 318 N ASP A 22 -1.524 -4.209 -16.606 1.00 0.00 N ATOM 319 CA ASP A 22 -0.591 -3.860 -15.492 1.00 0.00 C ATOM 320 C ASP A 22 -1.269 -4.121 -14.141 1.00 0.00 C ATOM 321 O ASP A 22 -0.610 -4.312 -13.136 1.00 0.00 O ATOM 322 CB ASP A 22 -0.297 -2.367 -15.667 1.00 0.00 C ATOM 323 CG ASP A 22 0.524 -2.139 -16.943 1.00 0.00 C ATOM 324 OD1 ASP A 22 1.183 -3.070 -17.384 1.00 0.00 O ATOM 325 OD2 ASP A 22 0.485 -1.033 -17.455 1.00 0.00 O ATOM 0 H ASP A 22 -1.873 -3.415 -17.143 1.00 0.00 H new ATOM 0 HA ASP A 22 0.321 -4.456 -15.514 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.231 -1.808 -15.721 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.249 -1.992 -14.802 1.00 0.00 H new ATOM 330 N ALA A 23 -2.581 -4.139 -14.113 1.00 0.00 N ATOM 331 CA ALA A 23 -3.301 -4.397 -12.830 1.00 0.00 C ATOM 332 C ALA A 23 -3.003 -5.816 -12.346 1.00 0.00 C ATOM 333 O ALA A 23 -2.817 -6.722 -13.136 1.00 0.00 O ATOM 334 CB ALA A 23 -4.790 -4.241 -13.158 1.00 0.00 C ATOM 0 H ALA A 23 -3.181 -3.986 -14.923 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.993 -3.713 -12.039 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.381 -4.417 -12.259 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.978 -3.232 -13.524 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.071 -4.963 -13.924 1.00 0.00 H new ATOM 340 N THR A 24 -2.946 -6.012 -11.055 1.00 0.00 N ATOM 341 CA THR A 24 -2.648 -7.371 -10.515 1.00 0.00 C ATOM 342 C THR A 24 -3.520 -7.663 -9.292 1.00 0.00 C ATOM 343 O THR A 24 -3.994 -6.763 -8.627 1.00 0.00 O ATOM 344 CB THR A 24 -1.166 -7.332 -10.119 1.00 0.00 C ATOM 345 OG1 THR A 24 -0.807 -8.571 -9.528 1.00 0.00 O ATOM 346 CG2 THR A 24 -0.917 -6.201 -9.115 1.00 0.00 C ATOM 0 H THR A 24 -3.093 -5.289 -10.351 1.00 0.00 H new ATOM 0 HA THR A 24 -2.854 -8.153 -11.245 1.00 0.00 H new ATOM 0 HB THR A 24 -0.563 -7.156 -11.010 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.140 -8.551 -9.275 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.138 -6.183 -8.841 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.191 -5.247 -9.566 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.521 -6.367 -8.223 1.00 0.00 H new ATOM 354 N HIS A 25 -3.727 -8.919 -8.994 1.00 0.00 N ATOM 355 CA HIS A 25 -4.562 -9.284 -7.811 1.00 0.00 C ATOM 356 C HIS A 25 -3.668 -9.607 -6.617 1.00 0.00 C ATOM 357 O HIS A 25 -2.456 -9.656 -6.732 1.00 0.00 O ATOM 358 CB HIS A 25 -5.363 -10.520 -8.241 1.00 0.00 C ATOM 359 CG HIS A 25 -6.820 -10.162 -8.362 1.00 0.00 C ATOM 360 ND1 HIS A 25 -7.387 -9.752 -9.562 1.00 0.00 N ATOM 361 CD2 HIS A 25 -7.836 -10.139 -7.439 1.00 0.00 C ATOM 362 CE1 HIS A 25 -8.690 -9.503 -9.330 1.00 0.00 C ATOM 363 NE2 HIS A 25 -9.011 -9.723 -8.055 1.00 0.00 N ATOM 0 H HIS A 25 -3.353 -9.709 -9.520 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.219 -8.469 -7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -4.990 -10.894 -9.194 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.234 -11.320 -7.512 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -7.738 -10.403 -6.396 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -9.388 -9.167 -10.083 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -9.927 -9.610 -7.622 1.00 0.00 H new ATOM 372 N LEU A 26 -4.258 -9.825 -5.470 1.00 0.00 N ATOM 373 CA LEU A 26 -3.446 -10.142 -4.263 1.00 0.00 C ATOM 374 C LEU A 26 -3.000 -11.605 -4.310 1.00 0.00 C ATOM 375 O LEU A 26 -3.749 -12.502 -3.971 1.00 0.00 O ATOM 376 CB LEU A 26 -4.382 -9.908 -3.075 1.00 0.00 C ATOM 377 CG LEU A 26 -3.571 -9.518 -1.829 1.00 0.00 C ATOM 378 CD1 LEU A 26 -2.534 -10.601 -1.510 1.00 0.00 C ATOM 379 CD2 LEU A 26 -2.855 -8.186 -2.082 1.00 0.00 C ATOM 0 H LEU A 26 -5.266 -9.797 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.547 -9.529 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.096 -9.120 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.959 -10.810 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.250 -9.417 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.967 -10.312 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.042 -11.547 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.855 -10.715 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.280 -7.909 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.184 -8.290 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.592 -7.411 -2.293 1.00 0.00 H new ATOM 391 N GLY A 27 -1.786 -11.847 -4.728 1.00 0.00 N ATOM 392 CA GLY A 27 -1.283 -13.251 -4.802 1.00 0.00 C ATOM 393 C GLY A 27 0.196 -13.301 -4.390 1.00 0.00 C ATOM 394 O GLY A 27 0.499 -13.558 -3.242 1.00 0.00 O ATOM 0 H GLY A 27 -1.120 -11.133 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.873 -13.893 -4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.400 -13.635 -5.815 1.00 0.00 H new ATOM 398 N PRO A 28 1.080 -13.059 -5.337 1.00 0.00 N ATOM 399 CA PRO A 28 2.535 -13.092 -5.033 1.00 0.00 C ATOM 400 C PRO A 28 2.921 -11.907 -4.149 1.00 0.00 C ATOM 401 O PRO A 28 2.295 -10.865 -4.188 1.00 0.00 O ATOM 402 CB PRO A 28 3.195 -12.991 -6.406 1.00 0.00 C ATOM 403 CG PRO A 28 2.181 -12.309 -7.265 1.00 0.00 C ATOM 404 CD PRO A 28 0.828 -12.729 -6.752 1.00 0.00 C ATOM 0 HA PRO A 28 2.839 -13.986 -4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.122 -12.420 -6.359 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.447 -13.976 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.295 -11.226 -7.214 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.304 -12.594 -8.310 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.095 -11.928 -6.852 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.440 -13.587 -7.301 1.00 0.00 H new ATOM 412 N GLN A 29 3.948 -12.059 -3.351 1.00 0.00 N ATOM 413 CA GLN A 29 4.377 -10.938 -2.465 1.00 0.00 C ATOM 414 C GLN A 29 5.888 -10.725 -2.573 1.00 0.00 C ATOM 415 O GLN A 29 6.650 -11.137 -1.722 1.00 0.00 O ATOM 416 CB GLN A 29 3.978 -11.360 -1.045 1.00 0.00 C ATOM 417 CG GLN A 29 3.070 -10.291 -0.428 1.00 0.00 C ATOM 418 CD GLN A 29 2.618 -10.743 0.960 1.00 0.00 C ATOM 419 OE1 GLN A 29 2.070 -11.815 1.117 1.00 0.00 O ATOM 420 NE2 GLN A 29 2.828 -9.962 1.984 1.00 0.00 N ATOM 0 H GLN A 29 4.506 -12.910 -3.276 1.00 0.00 H new ATOM 0 HA GLN A 29 3.909 -9.994 -2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.461 -12.319 -1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.868 -11.494 -0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.603 -9.343 -0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.203 -10.122 -1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.288 -9.061 1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.532 -10.252 2.916 1.00 0.00 H new ATOM 429 N PHE A 30 6.313 -10.077 -3.620 1.00 0.00 N ATOM 430 CA PHE A 30 7.764 -9.799 -3.812 1.00 0.00 C ATOM 431 C PHE A 30 7.943 -8.361 -4.286 1.00 0.00 C ATOM 432 O PHE A 30 7.217 -7.899 -5.146 1.00 0.00 O ATOM 433 CB PHE A 30 8.222 -10.776 -4.894 1.00 0.00 C ATOM 434 CG PHE A 30 8.468 -12.127 -4.278 1.00 0.00 C ATOM 435 CD1 PHE A 30 7.393 -12.976 -3.991 1.00 0.00 C ATOM 436 CD2 PHE A 30 9.776 -12.529 -3.990 1.00 0.00 C ATOM 437 CE1 PHE A 30 7.628 -14.230 -3.415 1.00 0.00 C ATOM 438 CE2 PHE A 30 10.012 -13.781 -3.415 1.00 0.00 C ATOM 439 CZ PHE A 30 8.939 -14.633 -3.127 1.00 0.00 C ATOM 0 H PHE A 30 5.709 -9.723 -4.362 1.00 0.00 H new ATOM 0 HA PHE A 30 8.339 -9.920 -2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.465 -10.853 -5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.132 -10.409 -5.368 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.383 -12.664 -4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.604 -11.872 -4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.800 -14.886 -3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.022 -14.091 -3.193 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.122 -15.600 -2.683 1.00 0.00 H new ATOM 449 N CYS A 31 8.895 -7.648 -3.742 1.00 0.00 N ATOM 450 CA CYS A 31 9.100 -6.240 -4.186 1.00 0.00 C ATOM 451 C CYS A 31 9.857 -6.236 -5.511 1.00 0.00 C ATOM 452 O CYS A 31 10.994 -6.654 -5.585 1.00 0.00 O ATOM 453 CB CYS A 31 9.928 -5.575 -3.087 1.00 0.00 C ATOM 454 SG CYS A 31 9.817 -3.780 -3.268 1.00 0.00 S ATOM 0 H CYS A 31 9.533 -7.977 -3.017 1.00 0.00 H new ATOM 0 HA CYS A 31 8.160 -5.711 -4.341 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.563 -5.877 -2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 31 10.968 -5.896 -3.153 1.00 0.00 H new ATOM 459 N LYS A 32 9.230 -5.774 -6.556 1.00 0.00 N ATOM 460 CA LYS A 32 9.907 -5.738 -7.884 1.00 0.00 C ATOM 461 C LYS A 32 10.427 -4.326 -8.190 1.00 0.00 C ATOM 462 O LYS A 32 11.098 -4.114 -9.183 1.00 0.00 O ATOM 463 CB LYS A 32 8.826 -6.138 -8.886 1.00 0.00 C ATOM 464 CG LYS A 32 9.470 -6.841 -10.083 1.00 0.00 C ATOM 465 CD LYS A 32 8.378 -7.374 -11.013 1.00 0.00 C ATOM 466 CE LYS A 32 9.023 -8.087 -12.204 1.00 0.00 C ATOM 467 NZ LYS A 32 7.879 -8.581 -13.022 1.00 0.00 N ATOM 0 H LYS A 32 8.274 -5.418 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 32 10.770 -6.402 -7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.101 -6.799 -8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.281 -5.255 -9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.114 -6.146 -10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.102 -7.660 -9.740 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.729 -8.062 -10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.751 -6.554 -11.363 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.654 -7.407 -12.777 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.658 -8.910 -11.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.241 -9.082 -13.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.300 -9.231 -12.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.296 -7.775 -13.326 1.00 0.00 H new ATOM 481 N SER A 33 10.107 -3.353 -7.362 1.00 0.00 N ATOM 482 CA SER A 33 10.575 -1.959 -7.637 1.00 0.00 C ATOM 483 C SER A 33 12.069 -1.792 -7.331 1.00 0.00 C ATOM 484 O SER A 33 12.851 -1.502 -8.217 1.00 0.00 O ATOM 485 CB SER A 33 9.743 -1.078 -6.703 1.00 0.00 C ATOM 486 OG SER A 33 9.677 0.239 -7.231 1.00 0.00 O ATOM 0 H SER A 33 9.547 -3.466 -6.517 1.00 0.00 H new ATOM 0 HA SER A 33 10.451 -1.698 -8.688 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.739 -1.489 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.189 -1.061 -5.708 1.00 0.00 H new ATOM 0 HG SER A 33 9.143 0.804 -6.635 1.00 0.00 H new ATOM 492 N CYS A 34 12.480 -1.964 -6.092 1.00 0.00 N ATOM 493 CA CYS A 34 13.934 -1.802 -5.768 1.00 0.00 C ATOM 494 C CYS A 34 14.746 -3.048 -6.155 1.00 0.00 C ATOM 495 O CYS A 34 15.838 -2.937 -6.675 1.00 0.00 O ATOM 496 CB CYS A 34 14.024 -1.506 -4.261 1.00 0.00 C ATOM 497 SG CYS A 34 13.394 -2.892 -3.289 1.00 0.00 S ATOM 0 H CYS A 34 11.880 -2.206 -5.304 1.00 0.00 H new ATOM 0 HA CYS A 34 14.366 -0.984 -6.344 1.00 0.00 H new ATOM 0 HB2 CYS A 34 15.060 -1.307 -3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 34 13.454 -0.606 -4.029 1.00 0.00 H new ATOM 502 N TRP A 35 14.230 -4.234 -5.898 1.00 0.00 N ATOM 503 CA TRP A 35 14.982 -5.500 -6.238 1.00 0.00 C ATOM 504 C TRP A 35 14.239 -6.714 -5.667 1.00 0.00 C ATOM 505 O TRP A 35 13.321 -6.573 -4.886 1.00 0.00 O ATOM 506 CB TRP A 35 16.378 -5.399 -5.580 1.00 0.00 C ATOM 507 CG TRP A 35 16.272 -4.856 -4.186 1.00 0.00 C ATOM 508 CD1 TRP A 35 15.500 -5.377 -3.206 1.00 0.00 C ATOM 509 CD2 TRP A 35 16.936 -3.694 -3.610 1.00 0.00 C ATOM 510 NE1 TRP A 35 15.655 -4.616 -2.062 1.00 0.00 N ATOM 511 CE2 TRP A 35 16.528 -3.564 -2.260 1.00 0.00 C ATOM 512 CE3 TRP A 35 17.847 -2.749 -4.120 1.00 0.00 C ATOM 513 CZ2 TRP A 35 17.005 -2.535 -1.447 1.00 0.00 C ATOM 514 CZ3 TRP A 35 18.329 -1.712 -3.304 1.00 0.00 C ATOM 515 CH2 TRP A 35 17.908 -1.605 -1.971 1.00 0.00 C ATOM 0 H TRP A 35 13.318 -4.382 -5.466 1.00 0.00 H new ATOM 0 HA TRP A 35 15.066 -5.618 -7.318 1.00 0.00 H new ATOM 0 HB2 TRP A 35 16.846 -6.383 -5.557 1.00 0.00 H new ATOM 0 HB3 TRP A 35 17.021 -4.754 -6.178 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.866 -6.246 -3.301 1.00 0.00 H new ATOM 0 HE1 TRP A 35 15.182 -4.808 -1.179 1.00 0.00 H new ATOM 0 HE3 TRP A 35 18.177 -2.822 -5.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 16.679 -2.458 -0.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 19.028 -0.993 -3.706 1.00 0.00 H new ATOM 0 HH2 TRP A 35 18.281 -0.805 -1.349 1.00 0.00 H new ATOM 526 N PHE A 36 14.640 -7.906 -6.041 1.00 0.00 N ATOM 527 CA PHE A 36 13.958 -9.132 -5.514 1.00 0.00 C ATOM 528 C PHE A 36 14.493 -9.494 -4.118 1.00 0.00 C ATOM 529 O PHE A 36 15.377 -10.317 -3.983 1.00 0.00 O ATOM 530 CB PHE A 36 14.313 -10.243 -6.508 1.00 0.00 C ATOM 531 CG PHE A 36 13.755 -9.926 -7.874 1.00 0.00 C ATOM 532 CD1 PHE A 36 12.439 -10.278 -8.188 1.00 0.00 C ATOM 533 CD2 PHE A 36 14.558 -9.296 -8.833 1.00 0.00 C ATOM 534 CE1 PHE A 36 11.923 -10.002 -9.459 1.00 0.00 C ATOM 535 CE2 PHE A 36 14.042 -9.016 -10.104 1.00 0.00 C ATOM 536 CZ PHE A 36 12.724 -9.370 -10.416 1.00 0.00 C ATOM 0 H PHE A 36 15.409 -8.083 -6.687 1.00 0.00 H new ATOM 0 HA PHE A 36 12.882 -8.984 -5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 36 15.396 -10.354 -6.567 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.914 -11.195 -6.157 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.820 -10.764 -7.448 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.576 -9.026 -8.592 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.907 -10.277 -9.701 1.00 0.00 H new ATOM 0 HE2 PHE A 36 14.660 -8.528 -10.843 1.00 0.00 H new ATOM 0 HZ PHE A 36 12.325 -9.155 -11.396 1.00 0.00 H new ATOM 546 N GLU A 37 13.957 -8.896 -3.079 1.00 0.00 N ATOM 547 CA GLU A 37 14.429 -9.216 -1.695 1.00 0.00 C ATOM 548 C GLU A 37 13.241 -9.262 -0.726 1.00 0.00 C ATOM 549 O GLU A 37 12.221 -8.643 -0.954 1.00 0.00 O ATOM 550 CB GLU A 37 15.379 -8.080 -1.310 1.00 0.00 C ATOM 551 CG GLU A 37 16.650 -8.149 -2.168 1.00 0.00 C ATOM 552 CD GLU A 37 17.594 -6.984 -1.825 1.00 0.00 C ATOM 553 OE1 GLU A 37 17.302 -6.245 -0.896 1.00 0.00 O ATOM 554 OE2 GLU A 37 18.602 -6.852 -2.504 1.00 0.00 O ATOM 0 H GLU A 37 13.213 -8.200 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 37 14.921 -10.188 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.886 -7.118 -1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.638 -8.153 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.158 -9.098 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.385 -8.112 -3.225 1.00 0.00 H new ATOM 561 N ASN A 38 13.374 -9.990 0.358 1.00 0.00 N ATOM 562 CA ASN A 38 12.262 -10.076 1.353 1.00 0.00 C ATOM 563 C ASN A 38 12.743 -9.603 2.730 1.00 0.00 C ATOM 564 O ASN A 38 12.240 -10.028 3.752 1.00 0.00 O ATOM 565 CB ASN A 38 11.882 -11.556 1.398 1.00 0.00 C ATOM 566 CG ASN A 38 11.131 -11.935 0.119 1.00 0.00 C ATOM 567 OD1 ASN A 38 10.641 -11.079 -0.593 1.00 0.00 O ATOM 568 ND2 ASN A 38 11.015 -13.193 -0.204 1.00 0.00 N ATOM 0 H ASN A 38 14.207 -10.529 0.595 1.00 0.00 H new ATOM 0 HA ASN A 38 11.416 -9.446 1.079 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.778 -12.168 1.500 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.259 -11.755 2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.514 -13.458 -1.052 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.425 -13.912 0.392 1.00 0.00 H new ATOM 575 N LYS A 39 13.718 -8.729 2.759 1.00 0.00 N ATOM 576 CA LYS A 39 14.249 -8.227 4.067 1.00 0.00 C ATOM 577 C LYS A 39 13.164 -7.473 4.846 1.00 0.00 C ATOM 578 O LYS A 39 13.035 -7.627 6.047 1.00 0.00 O ATOM 579 CB LYS A 39 15.395 -7.285 3.693 1.00 0.00 C ATOM 580 CG LYS A 39 16.550 -8.101 3.111 1.00 0.00 C ATOM 581 CD LYS A 39 17.688 -7.163 2.703 1.00 0.00 C ATOM 582 CE LYS A 39 18.844 -7.982 2.128 1.00 0.00 C ATOM 583 NZ LYS A 39 19.879 -6.977 1.761 1.00 0.00 N ATOM 0 H LYS A 39 14.171 -8.340 1.932 1.00 0.00 H new ATOM 0 HA LYS A 39 14.579 -9.042 4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.053 -6.548 2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.730 -6.734 4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.906 -8.822 3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.207 -8.670 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.334 -6.445 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.028 -6.590 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.226 -8.694 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.526 -8.558 1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.706 -7.462 1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.488 -6.317 1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.167 -6.449 2.610 1.00 0.00 H new ATOM 597 N GLY A 40 12.387 -6.660 4.174 1.00 0.00 N ATOM 598 CA GLY A 40 11.310 -5.895 4.876 1.00 0.00 C ATOM 599 C GLY A 40 10.167 -5.621 3.899 1.00 0.00 C ATOM 600 O GLY A 40 9.775 -4.493 3.692 1.00 0.00 O ATOM 0 H GLY A 40 12.452 -6.493 3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.944 -6.462 5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.707 -4.956 5.262 1.00 0.00 H new ATOM 604 N LEU A 41 9.640 -6.652 3.294 1.00 0.00 N ATOM 605 CA LEU A 41 8.526 -6.465 2.315 1.00 0.00 C ATOM 606 C LEU A 41 7.245 -6.012 3.023 1.00 0.00 C ATOM 607 O LEU A 41 6.874 -6.530 4.059 1.00 0.00 O ATOM 608 CB LEU A 41 8.330 -7.842 1.673 1.00 0.00 C ATOM 609 CG LEU A 41 7.211 -7.776 0.634 1.00 0.00 C ATOM 610 CD1 LEU A 41 7.659 -6.912 -0.546 1.00 0.00 C ATOM 611 CD2 LEU A 41 6.895 -9.189 0.149 1.00 0.00 C ATOM 0 H LEU A 41 9.933 -7.619 3.435 1.00 0.00 H new ATOM 0 HA LEU A 41 8.757 -5.696 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.257 -8.169 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.085 -8.578 2.438 1.00 0.00 H new ATOM 0 HG LEU A 41 6.319 -7.336 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.861 -6.865 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.887 -5.906 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.549 -7.348 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.097 -9.149 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.786 -9.627 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.576 -9.800 0.993 1.00 0.00 H new ATOM 623 N VAL A 42 6.559 -5.063 2.445 1.00 0.00 N ATOM 624 CA VAL A 42 5.284 -4.567 3.033 1.00 0.00 C ATOM 625 C VAL A 42 4.205 -4.678 1.959 1.00 0.00 C ATOM 626 O VAL A 42 4.413 -4.280 0.829 1.00 0.00 O ATOM 627 CB VAL A 42 5.550 -3.108 3.410 1.00 0.00 C ATOM 628 CG1 VAL A 42 4.289 -2.487 4.015 1.00 0.00 C ATOM 629 CG2 VAL A 42 6.681 -3.049 4.438 1.00 0.00 C ATOM 0 H VAL A 42 6.834 -4.604 1.576 1.00 0.00 H new ATOM 0 HA VAL A 42 4.953 -5.128 3.907 1.00 0.00 H new ATOM 0 HB VAL A 42 5.832 -2.553 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.486 -1.448 4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.478 -2.528 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.003 -3.042 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.873 -2.011 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.393 -3.609 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.584 -3.485 4.011 1.00 0.00 H new ATOM 639 N GLU A 43 3.080 -5.253 2.280 1.00 0.00 N ATOM 640 CA GLU A 43 2.024 -5.428 1.244 1.00 0.00 C ATOM 641 C GLU A 43 1.036 -4.259 1.209 1.00 0.00 C ATOM 642 O GLU A 43 0.150 -4.155 2.034 1.00 0.00 O ATOM 643 CB GLU A 43 1.301 -6.724 1.630 1.00 0.00 C ATOM 644 CG GLU A 43 0.253 -7.066 0.566 1.00 0.00 C ATOM 645 CD GLU A 43 -0.430 -8.399 0.900 1.00 0.00 C ATOM 646 OE1 GLU A 43 0.103 -9.139 1.715 1.00 0.00 O ATOM 647 OE2 GLU A 43 -1.475 -8.661 0.328 1.00 0.00 O ATOM 0 H GLU A 43 2.847 -5.607 3.208 1.00 0.00 H new ATOM 0 HA GLU A 43 2.464 -5.467 0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.019 -7.539 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.822 -6.609 2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.492 -6.272 0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.726 -7.128 -0.414 1.00 0.00 H new ATOM 654 N CYS A 44 1.146 -3.423 0.205 1.00 0.00 N ATOM 655 CA CYS A 44 0.166 -2.301 0.037 1.00 0.00 C ATOM 656 C CYS A 44 -1.179 -2.963 -0.267 1.00 0.00 C ATOM 657 O CYS A 44 -1.221 -4.166 -0.451 1.00 0.00 O ATOM 658 CB CYS A 44 0.667 -1.502 -1.175 1.00 0.00 C ATOM 659 SG CYS A 44 0.509 0.278 -0.892 1.00 0.00 S ATOM 0 H CYS A 44 1.874 -3.469 -0.508 1.00 0.00 H new ATOM 0 HA CYS A 44 0.066 -1.647 0.903 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.710 -1.751 -1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.098 -1.784 -2.061 1.00 0.00 H new ATOM 664 N ASN A 45 -2.274 -2.240 -0.319 1.00 0.00 N ATOM 665 CA ASN A 45 -3.578 -2.926 -0.615 1.00 0.00 C ATOM 666 C ASN A 45 -3.459 -3.754 -1.913 1.00 0.00 C ATOM 667 O ASN A 45 -3.424 -4.969 -1.879 1.00 0.00 O ATOM 668 CB ASN A 45 -4.595 -1.794 -0.793 1.00 0.00 C ATOM 669 CG ASN A 45 -4.942 -1.192 0.573 1.00 0.00 C ATOM 670 OD1 ASN A 45 -4.735 -1.814 1.597 1.00 0.00 O ATOM 671 ND2 ASN A 45 -5.465 0.003 0.631 1.00 0.00 N ATOM 0 H ASN A 45 -2.325 -1.232 -0.174 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.871 -3.614 0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.186 -1.024 -1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.497 -2.174 -1.273 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.699 0.414 1.535 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.639 0.526 -0.227 1.00 0.00 H new ATOM 678 N ASN A 46 -3.363 -3.103 -3.046 1.00 0.00 N ATOM 679 CA ASN A 46 -3.204 -3.839 -4.342 1.00 0.00 C ATOM 680 C ASN A 46 -1.779 -3.660 -4.900 1.00 0.00 C ATOM 681 O ASN A 46 -1.579 -3.652 -6.100 1.00 0.00 O ATOM 682 CB ASN A 46 -4.248 -3.225 -5.269 1.00 0.00 C ATOM 683 CG ASN A 46 -5.644 -3.583 -4.752 1.00 0.00 C ATOM 684 OD1 ASN A 46 -6.157 -4.646 -5.038 1.00 0.00 O ATOM 685 ND2 ASN A 46 -6.279 -2.738 -3.986 1.00 0.00 N ATOM 0 H ASN A 46 -3.388 -2.087 -3.131 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.347 -4.914 -4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.127 -2.142 -5.308 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.115 -3.597 -6.285 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.205 -2.971 -3.628 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.849 -1.845 -3.745 1.00 0.00 H new ATOM 692 N HIS A 47 -0.799 -3.473 -4.048 1.00 0.00 N ATOM 693 CA HIS A 47 0.603 -3.241 -4.538 1.00 0.00 C ATOM 694 C HIS A 47 1.629 -3.787 -3.511 1.00 0.00 C ATOM 695 O HIS A 47 1.363 -3.824 -2.329 1.00 0.00 O ATOM 696 CB HIS A 47 0.639 -1.695 -4.696 1.00 0.00 C ATOM 697 CG HIS A 47 2.022 -1.114 -4.501 1.00 0.00 C ATOM 698 ND1 HIS A 47 2.236 0.072 -3.799 1.00 0.00 N ATOM 699 CD2 HIS A 47 3.266 -1.543 -4.891 1.00 0.00 C ATOM 700 CE1 HIS A 47 3.558 0.304 -3.788 1.00 0.00 C ATOM 701 NE2 HIS A 47 4.226 -0.650 -4.436 1.00 0.00 N ATOM 0 H HIS A 47 -0.907 -3.471 -3.034 1.00 0.00 H new ATOM 0 HA HIS A 47 0.862 -3.752 -5.465 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.275 -1.428 -5.688 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.043 -1.245 -3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.467 -2.437 -5.463 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.022 1.156 -3.314 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.235 -0.711 -4.570 1.00 0.00 H new ATOM 709 N TYR A 48 2.792 -4.229 -3.957 1.00 0.00 N ATOM 710 CA TYR A 48 3.810 -4.773 -2.991 1.00 0.00 C ATOM 711 C TYR A 48 5.086 -3.916 -2.988 1.00 0.00 C ATOM 712 O TYR A 48 5.761 -3.785 -3.993 1.00 0.00 O ATOM 713 CB TYR A 48 4.182 -6.176 -3.487 1.00 0.00 C ATOM 714 CG TYR A 48 2.957 -7.030 -3.690 1.00 0.00 C ATOM 715 CD1 TYR A 48 2.320 -7.636 -2.600 1.00 0.00 C ATOM 716 CD2 TYR A 48 2.473 -7.229 -4.985 1.00 0.00 C ATOM 717 CE1 TYR A 48 1.193 -8.440 -2.813 1.00 0.00 C ATOM 718 CE2 TYR A 48 1.354 -8.033 -5.197 1.00 0.00 C ATOM 719 CZ TYR A 48 0.711 -8.639 -4.112 1.00 0.00 C ATOM 720 OH TYR A 48 -0.394 -9.439 -4.323 1.00 0.00 O ATOM 0 H TYR A 48 3.076 -4.236 -4.937 1.00 0.00 H new ATOM 0 HA TYR A 48 3.395 -4.778 -1.983 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.733 -6.098 -4.425 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.846 -6.654 -2.767 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.696 -7.484 -1.599 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.966 -6.759 -5.823 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.696 -8.906 -1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.983 -8.188 -6.199 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.747 -9.278 -5.223 1.00 0.00 H new ATOM 730 N LEU A 49 5.442 -3.385 -1.851 1.00 0.00 N ATOM 731 CA LEU A 49 6.704 -2.587 -1.732 1.00 0.00 C ATOM 732 C LEU A 49 7.334 -2.914 -0.375 1.00 0.00 C ATOM 733 O LEU A 49 6.628 -3.215 0.564 1.00 0.00 O ATOM 734 CB LEU A 49 6.294 -1.114 -1.803 1.00 0.00 C ATOM 735 CG LEU A 49 7.536 -0.262 -2.078 1.00 0.00 C ATOM 736 CD1 LEU A 49 8.053 -0.547 -3.490 1.00 0.00 C ATOM 737 CD2 LEU A 49 7.186 1.224 -1.966 1.00 0.00 C ATOM 0 H LEU A 49 4.908 -3.469 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 49 7.426 -2.810 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.555 -0.967 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.827 -0.808 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 49 8.304 -0.511 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.937 0.061 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.312 -1.602 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.279 -0.303 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.075 1.823 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.413 1.472 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.820 1.437 -0.961 1.00 0.00 H new ATOM 749 N CYS A 50 8.637 -2.867 -0.246 1.00 0.00 N ATOM 750 CA CYS A 50 9.256 -3.189 1.072 1.00 0.00 C ATOM 751 C CYS A 50 9.627 -1.905 1.814 1.00 0.00 C ATOM 752 O CYS A 50 9.773 -0.852 1.224 1.00 0.00 O ATOM 753 CB CYS A 50 10.479 -4.070 0.762 1.00 0.00 C ATOM 754 SG CYS A 50 11.787 -3.112 -0.044 1.00 0.00 S ATOM 0 H CYS A 50 9.291 -2.622 -0.989 1.00 0.00 H new ATOM 0 HA CYS A 50 8.571 -3.721 1.732 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.860 -4.506 1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.181 -4.897 0.118 1.00 0.00 H new ATOM 759 N LEU A 51 9.768 -1.996 3.104 1.00 0.00 N ATOM 760 CA LEU A 51 10.110 -0.796 3.921 1.00 0.00 C ATOM 761 C LEU A 51 11.445 -0.207 3.462 1.00 0.00 C ATOM 762 O LEU A 51 11.715 0.962 3.663 1.00 0.00 O ATOM 763 CB LEU A 51 10.207 -1.302 5.364 1.00 0.00 C ATOM 764 CG LEU A 51 10.046 -0.127 6.326 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.570 0.265 6.411 1.00 0.00 C ATOM 766 CD2 LEU A 51 10.552 -0.531 7.712 1.00 0.00 C ATOM 0 H LEU A 51 9.660 -2.860 3.636 1.00 0.00 H new ATOM 0 HA LEU A 51 9.365 -0.006 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.435 -2.048 5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.168 -1.790 5.526 1.00 0.00 H new ATOM 0 HG LEU A 51 10.624 0.723 5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.455 1.104 7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.213 0.554 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.989 -0.583 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.438 0.307 8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.975 -1.381 8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.604 -0.807 7.649 1.00 0.00 H new ATOM 778 N ASN A 52 12.283 -1.009 2.857 1.00 0.00 N ATOM 779 CA ASN A 52 13.608 -0.497 2.396 1.00 0.00 C ATOM 780 C ASN A 52 13.429 0.651 1.393 1.00 0.00 C ATOM 781 O ASN A 52 13.976 1.724 1.571 1.00 0.00 O ATOM 782 CB ASN A 52 14.278 -1.690 1.706 1.00 0.00 C ATOM 783 CG ASN A 52 15.798 -1.528 1.765 1.00 0.00 C ATOM 784 OD1 ASN A 52 16.487 -2.343 2.346 1.00 0.00 O ATOM 785 ND2 ASN A 52 16.352 -0.501 1.182 1.00 0.00 N ATOM 0 H ASN A 52 12.107 -1.995 2.663 1.00 0.00 H new ATOM 0 HA ASN A 52 14.199 -0.108 3.225 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.982 -2.619 2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.949 -1.755 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.364 -0.382 1.214 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.773 0.183 0.695 1.00 0.00 H new ATOM 792 N CYS A 53 12.661 0.440 0.347 1.00 0.00 N ATOM 793 CA CYS A 53 12.441 1.537 -0.655 1.00 0.00 C ATOM 794 C CYS A 53 11.187 2.338 -0.295 1.00 0.00 C ATOM 795 O CYS A 53 11.074 3.510 -0.598 1.00 0.00 O ATOM 796 CB CYS A 53 12.321 0.863 -2.032 1.00 0.00 C ATOM 797 SG CYS A 53 10.895 -0.253 -2.082 1.00 0.00 S ATOM 0 H CYS A 53 12.180 -0.437 0.144 1.00 0.00 H new ATOM 0 HA CYS A 53 13.267 2.248 -0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.220 1.624 -2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 53 13.232 0.306 -2.249 1.00 0.00 H new ATOM 802 N LEU A 54 10.246 1.703 0.354 1.00 0.00 N ATOM 803 CA LEU A 54 8.986 2.405 0.747 1.00 0.00 C ATOM 804 C LEU A 54 9.311 3.572 1.681 1.00 0.00 C ATOM 805 O LEU A 54 8.753 4.645 1.565 1.00 0.00 O ATOM 806 CB LEU A 54 8.164 1.343 1.485 1.00 0.00 C ATOM 807 CG LEU A 54 6.796 1.901 1.878 1.00 0.00 C ATOM 808 CD1 LEU A 54 5.847 0.738 2.139 1.00 0.00 C ATOM 809 CD2 LEU A 54 6.911 2.747 3.153 1.00 0.00 C ATOM 0 H LEU A 54 10.296 0.722 0.631 1.00 0.00 H new ATOM 0 HA LEU A 54 8.451 2.817 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.037 0.467 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.699 1.015 2.376 1.00 0.00 H new ATOM 0 HG LEU A 54 6.419 2.527 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.867 1.124 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.754 0.135 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.240 0.122 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.929 3.137 3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.290 2.129 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.596 3.577 2.979 1.00 0.00 H new ATOM 821 N THR A 55 10.208 3.365 2.610 1.00 0.00 N ATOM 822 CA THR A 55 10.574 4.459 3.562 1.00 0.00 C ATOM 823 C THR A 55 11.145 5.658 2.793 1.00 0.00 C ATOM 824 O THR A 55 10.804 6.794 3.065 1.00 0.00 O ATOM 825 CB THR A 55 11.630 3.842 4.489 1.00 0.00 C ATOM 826 OG1 THR A 55 11.049 2.776 5.227 1.00 0.00 O ATOM 827 CG2 THR A 55 12.184 4.899 5.453 1.00 0.00 C ATOM 0 H THR A 55 10.704 2.485 2.752 1.00 0.00 H new ATOM 0 HA THR A 55 9.716 4.829 4.123 1.00 0.00 H new ATOM 0 HB THR A 55 12.452 3.462 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.770 2.066 4.612 1.00 0.00 H new ATOM 0 HG21 THR A 55 12.931 4.443 6.102 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.643 5.707 4.883 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.372 5.299 6.060 1.00 0.00 H new ATOM 835 N LEU A 56 12.005 5.417 1.833 1.00 0.00 N ATOM 836 CA LEU A 56 12.590 6.552 1.052 1.00 0.00 C ATOM 837 C LEU A 56 11.478 7.305 0.316 1.00 0.00 C ATOM 838 O LEU A 56 11.469 8.519 0.269 1.00 0.00 O ATOM 839 CB LEU A 56 13.558 5.912 0.052 1.00 0.00 C ATOM 840 CG LEU A 56 14.868 5.562 0.761 1.00 0.00 C ATOM 841 CD1 LEU A 56 15.694 4.630 -0.125 1.00 0.00 C ATOM 842 CD2 LEU A 56 15.669 6.842 1.024 1.00 0.00 C ATOM 0 H LEU A 56 12.326 4.489 1.558 1.00 0.00 H new ATOM 0 HA LEU A 56 13.099 7.271 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.113 5.014 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.751 6.598 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 56 14.643 5.069 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.627 4.381 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.130 3.717 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.914 5.127 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.602 6.590 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.891 7.334 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.085 7.514 1.654 1.00 0.00 H new ATOM 854 N LEU A 57 10.537 6.592 -0.244 1.00 0.00 N ATOM 855 CA LEU A 57 9.416 7.263 -0.969 1.00 0.00 C ATOM 856 C LEU A 57 8.210 7.446 -0.057 1.00 0.00 C ATOM 857 O LEU A 57 7.123 7.698 -0.536 1.00 0.00 O ATOM 858 CB LEU A 57 9.035 6.314 -2.107 1.00 0.00 C ATOM 859 CG LEU A 57 10.094 6.348 -3.201 1.00 0.00 C ATOM 860 CD1 LEU A 57 9.860 5.176 -4.158 1.00 0.00 C ATOM 861 CD2 LEU A 57 9.970 7.663 -3.970 1.00 0.00 C ATOM 0 H LEU A 57 10.495 5.573 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 57 9.718 8.249 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.931 5.299 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.067 6.600 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 57 11.089 6.270 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.614 5.193 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.930 4.238 -3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.869 5.262 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.724 7.697 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.978 7.732 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.119 8.499 -3.287 1.00 0.00 H new ATOM 873 N LEU A 58 8.374 7.290 1.246 1.00 0.00 N ATOM 874 CA LEU A 58 7.211 7.410 2.190 1.00 0.00 C ATOM 875 C LEU A 58 6.184 6.334 1.847 1.00 0.00 C ATOM 876 O LEU A 58 5.970 6.021 0.690 1.00 0.00 O ATOM 877 CB LEU A 58 6.605 8.810 1.999 1.00 0.00 C ATOM 878 CG LEU A 58 7.200 9.769 3.027 1.00 0.00 C ATOM 879 CD1 LEU A 58 6.922 11.218 2.600 1.00 0.00 C ATOM 880 CD2 LEU A 58 6.573 9.504 4.401 1.00 0.00 C ATOM 0 H LEU A 58 9.268 7.084 1.693 1.00 0.00 H new ATOM 0 HA LEU A 58 7.522 7.277 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.807 9.171 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.522 8.767 2.111 1.00 0.00 H new ATOM 0 HG LEU A 58 8.277 9.612 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.347 11.902 3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.375 11.404 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.846 11.378 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.999 10.189 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.495 9.657 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.778 8.477 4.703 1.00 0.00 H new ATOM 892 N SER A 59 5.534 5.757 2.825 1.00 0.00 N ATOM 893 CA SER A 59 4.513 4.715 2.487 1.00 0.00 C ATOM 894 C SER A 59 3.366 5.426 1.773 1.00 0.00 C ATOM 895 O SER A 59 3.122 5.220 0.599 1.00 0.00 O ATOM 896 CB SER A 59 4.052 4.112 3.817 1.00 0.00 C ATOM 897 OG SER A 59 3.552 2.799 3.585 1.00 0.00 O ATOM 0 H SER A 59 5.659 5.953 3.818 1.00 0.00 H new ATOM 0 HA SER A 59 4.895 3.924 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.882 4.079 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.278 4.736 4.264 1.00 0.00 H new ATOM 0 HG SER A 59 3.257 2.407 4.433 1.00 0.00 H new ATOM 903 N VAL A 60 2.713 6.315 2.467 1.00 0.00 N ATOM 904 CA VAL A 60 1.630 7.123 1.846 1.00 0.00 C ATOM 905 C VAL A 60 1.546 8.478 2.550 1.00 0.00 C ATOM 906 O VAL A 60 0.521 8.826 3.105 1.00 0.00 O ATOM 907 CB VAL A 60 0.333 6.336 2.022 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.407 5.037 1.221 1.00 0.00 C ATOM 909 CG2 VAL A 60 0.106 6.023 3.503 1.00 0.00 C ATOM 0 H VAL A 60 2.887 6.518 3.451 1.00 0.00 H new ATOM 0 HA VAL A 60 1.817 7.307 0.788 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.501 6.936 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.520 4.478 1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.549 5.268 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.245 4.437 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.821 5.462 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.939 5.430 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.039 6.954 4.066 1.00 0.00 H new ATOM 919 N SER A 61 2.614 9.249 2.546 1.00 0.00 N ATOM 920 CA SER A 61 2.568 10.582 3.239 1.00 0.00 C ATOM 921 C SER A 61 1.418 11.408 2.673 1.00 0.00 C ATOM 922 O SER A 61 0.634 11.991 3.399 1.00 0.00 O ATOM 923 CB SER A 61 3.905 11.256 2.935 1.00 0.00 C ATOM 924 OG SER A 61 3.815 12.643 3.241 1.00 0.00 O ATOM 0 H SER A 61 3.502 9.018 2.100 1.00 0.00 H new ATOM 0 HA SER A 61 2.410 10.482 4.313 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.699 10.794 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.163 11.120 1.885 1.00 0.00 H new ATOM 0 HG SER A 61 4.610 13.105 2.902 1.00 0.00 H new ATOM 930 N ASN A 62 1.295 11.418 1.378 1.00 0.00 N ATOM 931 CA ASN A 62 0.180 12.152 0.730 1.00 0.00 C ATOM 932 C ASN A 62 -0.552 11.194 -0.207 1.00 0.00 C ATOM 933 O ASN A 62 -1.764 11.111 -0.209 1.00 0.00 O ATOM 934 CB ASN A 62 0.832 13.286 -0.058 1.00 0.00 C ATOM 935 CG ASN A 62 -0.245 14.273 -0.507 1.00 0.00 C ATOM 936 OD1 ASN A 62 -1.197 14.520 0.208 1.00 0.00 O ATOM 937 ND2 ASN A 62 -0.139 14.853 -1.672 1.00 0.00 N ATOM 0 H ASN A 62 1.928 10.943 0.734 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.542 12.544 1.446 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.573 13.794 0.559 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.359 12.886 -0.924 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.854 15.512 -1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.659 14.647 -2.273 1.00 0.00 H new ATOM 944 N ARG A 63 0.192 10.469 -1.005 1.00 0.00 N ATOM 945 CA ARG A 63 -0.436 9.506 -1.957 1.00 0.00 C ATOM 946 C ARG A 63 0.561 8.407 -2.359 1.00 0.00 C ATOM 947 O ARG A 63 1.738 8.668 -2.524 1.00 0.00 O ATOM 948 CB ARG A 63 -0.795 10.355 -3.179 1.00 0.00 C ATOM 949 CG ARG A 63 -1.808 9.604 -4.054 1.00 0.00 C ATOM 950 CD ARG A 63 -1.354 9.632 -5.521 1.00 0.00 C ATOM 951 NE ARG A 63 -1.362 11.078 -5.913 1.00 0.00 N ATOM 952 CZ ARG A 63 -0.803 11.489 -7.036 1.00 0.00 C ATOM 953 NH1 ARG A 63 -0.288 10.644 -7.898 1.00 0.00 N ATOM 954 NH2 ARG A 63 -0.760 12.767 -7.295 1.00 0.00 N ATOM 0 H ARG A 63 1.211 10.504 -1.037 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.300 9.004 -1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.213 11.310 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.103 10.577 -3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.902 8.573 -3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.793 10.062 -3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.359 9.200 -5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.027 9.050 -6.151 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.809 11.759 -5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.314 9.642 -7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.138 10.989 -8.758 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.155 13.435 -6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.331 13.098 -8.159 1.00 0.00 H new ATOM 968 N CYS A 64 0.095 7.195 -2.572 1.00 0.00 N ATOM 969 CA CYS A 64 1.023 6.113 -3.024 1.00 0.00 C ATOM 970 C CYS A 64 1.156 6.233 -4.550 1.00 0.00 C ATOM 971 O CYS A 64 0.175 6.084 -5.255 1.00 0.00 O ATOM 972 CB CYS A 64 0.352 4.791 -2.626 1.00 0.00 C ATOM 973 SG CYS A 64 1.565 3.446 -2.731 1.00 0.00 S ATOM 0 H CYS A 64 -0.878 6.914 -2.453 1.00 0.00 H new ATOM 0 HA CYS A 64 2.017 6.174 -2.582 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.043 4.861 -1.613 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.493 4.586 -3.284 1.00 0.00 H new ATOM 978 N PRO A 65 2.344 6.557 -5.025 1.00 0.00 N ATOM 979 CA PRO A 65 2.532 6.761 -6.489 1.00 0.00 C ATOM 980 C PRO A 65 2.364 5.462 -7.285 1.00 0.00 C ATOM 981 O PRO A 65 1.887 5.485 -8.404 1.00 0.00 O ATOM 982 CB PRO A 65 3.965 7.282 -6.595 1.00 0.00 C ATOM 983 CG PRO A 65 4.649 6.778 -5.367 1.00 0.00 C ATOM 984 CD PRO A 65 3.606 6.746 -4.282 1.00 0.00 C ATOM 0 HA PRO A 65 1.790 7.442 -6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.453 6.915 -7.498 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.987 8.371 -6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.066 5.785 -5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.478 7.429 -5.090 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.783 5.933 -3.578 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.598 7.671 -3.705 1.00 0.00 H new ATOM 992 N ILE A 66 2.755 4.338 -6.737 1.00 0.00 N ATOM 993 CA ILE A 66 2.608 3.057 -7.500 1.00 0.00 C ATOM 994 C ILE A 66 1.136 2.648 -7.618 1.00 0.00 C ATOM 995 O ILE A 66 0.681 2.276 -8.684 1.00 0.00 O ATOM 996 CB ILE A 66 3.426 2.014 -6.737 1.00 0.00 C ATOM 997 CG1 ILE A 66 4.880 2.489 -6.639 1.00 0.00 C ATOM 998 CG2 ILE A 66 3.383 0.685 -7.495 1.00 0.00 C ATOM 999 CD1 ILE A 66 5.671 1.546 -5.736 1.00 0.00 C ATOM 0 H ILE A 66 3.164 4.250 -5.807 1.00 0.00 H new ATOM 0 HA ILE A 66 2.968 3.160 -8.524 1.00 0.00 H new ATOM 0 HB ILE A 66 3.012 1.881 -5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.330 2.520 -7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.915 3.503 -6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.965 -0.061 -6.954 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.350 0.348 -7.580 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.803 0.821 -8.491 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.704 1.887 -5.669 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.227 1.537 -4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.648 0.539 -6.152 1.00 0.00 H new ATOM 1011 N CYS A 67 0.378 2.733 -6.549 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.069 2.365 -6.636 1.00 0.00 C ATOM 1013 C CYS A 67 -1.779 3.272 -7.650 1.00 0.00 C ATOM 1014 O CYS A 67 -2.840 2.947 -8.148 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.639 2.561 -5.229 1.00 0.00 C ATOM 1016 SG CYS A 67 -1.090 1.203 -4.161 1.00 0.00 S ATOM 0 H CYS A 67 0.696 3.038 -5.629 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.210 1.338 -6.973 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.308 3.516 -4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.728 2.591 -5.267 1.00 0.00 H new ATOM 1021 N LYS A 68 -1.193 4.410 -7.964 1.00 0.00 N ATOM 1022 CA LYS A 68 -1.816 5.349 -8.948 1.00 0.00 C ATOM 1023 C LYS A 68 -3.193 5.793 -8.459 1.00 0.00 C ATOM 1024 O LYS A 68 -4.042 6.177 -9.242 1.00 0.00 O ATOM 1025 CB LYS A 68 -1.938 4.554 -10.257 1.00 0.00 C ATOM 1026 CG LYS A 68 -1.463 5.407 -11.433 1.00 0.00 C ATOM 1027 CD LYS A 68 -1.441 4.547 -12.696 1.00 0.00 C ATOM 1028 CE LYS A 68 -0.346 3.487 -12.564 1.00 0.00 C ATOM 1029 NZ LYS A 68 -0.251 2.864 -13.912 1.00 0.00 N ATOM 0 H LYS A 68 -0.304 4.726 -7.576 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.220 6.252 -9.081 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.344 3.642 -10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.973 4.250 -10.412 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.126 6.261 -11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.469 5.805 -11.232 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.410 4.070 -12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.257 5.170 -13.571 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.603 3.934 -12.268 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.601 2.748 -11.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.481 2.125 -13.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.167 2.441 -14.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.000 3.590 -14.613 1.00 0.00 H new ATOM 1043 N MET A 69 -3.423 5.749 -7.168 1.00 0.00 N ATOM 1044 CA MET A 69 -4.751 6.176 -6.638 1.00 0.00 C ATOM 1045 C MET A 69 -4.591 6.965 -5.329 1.00 0.00 C ATOM 1046 O MET A 69 -3.587 6.844 -4.655 1.00 0.00 O ATOM 1047 CB MET A 69 -5.528 4.884 -6.407 1.00 0.00 C ATOM 1048 CG MET A 69 -6.295 4.533 -7.684 1.00 0.00 C ATOM 1049 SD MET A 69 -7.314 3.068 -7.395 1.00 0.00 S ATOM 1050 CE MET A 69 -6.112 1.846 -7.969 1.00 0.00 C ATOM 0 H MET A 69 -2.752 5.438 -6.465 1.00 0.00 H new ATOM 0 HA MET A 69 -5.269 6.839 -7.331 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.846 4.076 -6.143 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.219 5.004 -5.573 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.923 5.372 -7.985 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.597 4.348 -8.500 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.538 0.847 -7.879 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.864 2.042 -9.012 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.209 1.912 -7.363 1.00 0.00 H new ATOM 1060 N PRO A 70 -5.590 7.768 -5.021 1.00 0.00 N ATOM 1061 CA PRO A 70 -5.545 8.597 -3.792 1.00 0.00 C ATOM 1062 C PRO A 70 -5.829 7.756 -2.543 1.00 0.00 C ATOM 1063 O PRO A 70 -6.493 6.739 -2.604 1.00 0.00 O ATOM 1064 CB PRO A 70 -6.654 9.624 -4.015 1.00 0.00 C ATOM 1065 CG PRO A 70 -7.615 8.973 -4.958 1.00 0.00 C ATOM 1066 CD PRO A 70 -6.841 7.971 -5.774 1.00 0.00 C ATOM 0 HA PRO A 70 -4.567 9.049 -3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.142 9.886 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.256 10.547 -4.435 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.418 8.481 -4.408 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.080 9.717 -5.605 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.393 7.038 -5.885 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.643 8.345 -6.778 1.00 0.00 H new ATOM 1074 N LEU A 71 -5.336 8.186 -1.406 1.00 0.00 N ATOM 1075 CA LEU A 71 -5.582 7.433 -0.144 1.00 0.00 C ATOM 1076 C LEU A 71 -6.459 8.278 0.792 1.00 0.00 C ATOM 1077 O LEU A 71 -5.985 8.783 1.792 1.00 0.00 O ATOM 1078 CB LEU A 71 -4.190 7.200 0.459 1.00 0.00 C ATOM 1079 CG LEU A 71 -3.682 5.797 0.087 1.00 0.00 C ATOM 1080 CD1 LEU A 71 -4.604 4.739 0.697 1.00 0.00 C ATOM 1081 CD2 LEU A 71 -3.654 5.630 -1.439 1.00 0.00 C ATOM 0 H LEU A 71 -4.772 9.030 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.105 6.490 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.495 7.956 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.232 7.304 1.543 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.672 5.673 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.243 3.745 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.612 4.845 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.615 4.872 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.293 4.633 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.660 5.762 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.990 6.376 -1.875 1.00 0.00 H new ATOM 1093 N PRO A 72 -7.720 8.416 0.433 1.00 0.00 N ATOM 1094 CA PRO A 72 -8.658 9.218 1.259 1.00 0.00 C ATOM 1095 C PRO A 72 -8.937 8.517 2.588 1.00 0.00 C ATOM 1096 O PRO A 72 -8.833 7.310 2.699 1.00 0.00 O ATOM 1097 CB PRO A 72 -9.923 9.292 0.404 1.00 0.00 C ATOM 1098 CG PRO A 72 -9.853 8.092 -0.481 1.00 0.00 C ATOM 1099 CD PRO A 72 -8.392 7.849 -0.751 1.00 0.00 C ATOM 0 HA PRO A 72 -8.266 10.203 1.514 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.820 9.276 1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.954 10.213 -0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.308 7.227 0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.397 8.262 -1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.177 6.786 -0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.067 8.339 -1.669 1.00 0.00 H new ATOM 1107 N THR A 73 -9.292 9.271 3.592 1.00 0.00 N ATOM 1108 CA THR A 73 -9.588 8.671 4.923 1.00 0.00 C ATOM 1109 C THR A 73 -10.922 9.212 5.441 1.00 0.00 C ATOM 1110 O THR A 73 -11.372 10.264 5.032 1.00 0.00 O ATOM 1111 CB THR A 73 -8.436 9.117 5.833 1.00 0.00 C ATOM 1112 OG1 THR A 73 -8.435 10.533 5.927 1.00 0.00 O ATOM 1113 CG2 THR A 73 -7.099 8.638 5.260 1.00 0.00 C ATOM 0 H THR A 73 -9.390 10.285 3.546 1.00 0.00 H new ATOM 0 HA THR A 73 -9.668 7.585 4.883 1.00 0.00 H new ATOM 0 HB THR A 73 -8.571 8.683 6.824 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.701 10.822 6.509 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.287 8.959 5.913 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.101 7.550 5.192 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.956 9.063 4.267 1.00 0.00 H new ATOM 1121 N LYS A 74 -11.556 8.499 6.336 1.00 0.00 N ATOM 1122 CA LYS A 74 -12.865 8.968 6.882 1.00 0.00 C ATOM 1123 C LYS A 74 -12.813 9.006 8.408 1.00 0.00 C ATOM 1124 O LYS A 74 -12.180 8.178 9.033 1.00 0.00 O ATOM 1125 CB LYS A 74 -13.883 7.936 6.405 1.00 0.00 C ATOM 1126 CG LYS A 74 -13.981 7.983 4.880 1.00 0.00 C ATOM 1127 CD LYS A 74 -15.007 6.954 4.404 1.00 0.00 C ATOM 1128 CE LYS A 74 -14.460 5.546 4.646 1.00 0.00 C ATOM 1129 NZ LYS A 74 -15.425 4.638 3.965 1.00 0.00 N ATOM 0 H LYS A 74 -11.223 7.611 6.713 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.118 9.974 6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.586 6.939 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.858 8.139 6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.273 8.981 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.008 7.775 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.948 7.088 4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.218 7.097 3.344 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.456 5.436 4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.394 5.325 5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.118 3.652 4.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.370 4.760 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.461 4.867 2.951 1.00 0.00 H new ATOM 1143 N LEU A 75 -13.477 9.964 9.015 1.00 0.00 N ATOM 1144 CA LEU A 75 -13.471 10.067 10.512 1.00 0.00 C ATOM 1145 C LEU A 75 -12.031 10.088 11.041 1.00 0.00 C ATOM 1146 O LEU A 75 -11.082 10.020 10.282 1.00 0.00 O ATOM 1147 CB LEU A 75 -14.204 8.814 11.004 1.00 0.00 C ATOM 1148 CG LEU A 75 -15.112 9.169 12.183 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -16.376 9.862 11.668 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -15.500 7.886 12.923 1.00 0.00 C ATOM 0 H LEU A 75 -14.024 10.680 8.537 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.950 10.982 10.860 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.796 8.387 10.194 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.482 8.055 11.306 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.584 9.840 12.861 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.021 10.114 12.510 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.101 10.773 11.136 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.907 9.193 10.991 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.147 8.133 13.765 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.029 7.219 12.242 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.601 7.391 13.290 1.00 0.00 H new ATOM 1162 N ARG A 76 -11.862 10.177 12.335 1.00 0.00 N ATOM 1163 CA ARG A 76 -10.485 10.194 12.911 1.00 0.00 C ATOM 1164 C ARG A 76 -10.425 9.287 14.148 1.00 0.00 C ATOM 1165 O ARG A 76 -10.331 9.767 15.262 1.00 0.00 O ATOM 1166 CB ARG A 76 -10.222 11.656 13.280 1.00 0.00 C ATOM 1167 CG ARG A 76 -9.690 12.399 12.051 1.00 0.00 C ATOM 1168 CD ARG A 76 -10.840 13.131 11.349 1.00 0.00 C ATOM 1169 NE ARG A 76 -10.635 14.575 11.681 1.00 0.00 N ATOM 1170 CZ ARG A 76 -11.635 15.431 11.662 1.00 0.00 C ATOM 1171 NH1 ARG A 76 -12.763 15.147 11.060 1.00 0.00 N ATOM 1172 NH2 ARG A 76 -11.495 16.590 12.244 1.00 0.00 N ATOM 0 H ARG A 76 -12.618 10.239 13.017 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.734 9.822 12.214 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.140 12.125 13.634 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.500 11.713 14.095 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.922 13.112 12.350 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.221 11.695 11.364 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.815 12.966 10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.808 12.778 11.703 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.701 14.903 11.927 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.880 14.247 10.593 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.525 15.825 11.058 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.617 16.825 12.708 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.263 17.261 12.236 1.00 0.00 H new ATOM 1186 N PRO A 77 -10.481 7.991 13.915 1.00 0.00 N ATOM 1187 CA PRO A 77 -10.431 7.026 15.037 1.00 0.00 C ATOM 1188 C PRO A 77 -9.016 6.961 15.610 1.00 0.00 C ATOM 1189 O PRO A 77 -8.043 7.113 14.898 1.00 0.00 O ATOM 1190 CB PRO A 77 -10.830 5.700 14.393 1.00 0.00 C ATOM 1191 CG PRO A 77 -10.473 5.845 12.949 1.00 0.00 C ATOM 1192 CD PRO A 77 -10.587 7.309 12.611 1.00 0.00 C ATOM 0 HA PRO A 77 -11.083 7.294 15.868 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.298 4.865 14.849 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -11.895 5.506 14.518 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.461 5.484 12.764 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -11.142 5.252 12.325 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.795 7.624 11.931 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -11.535 7.532 12.121 1.00 0.00 H new ATOM 1200 N SER A 78 -8.891 6.737 16.898 1.00 0.00 N ATOM 1201 CA SER A 78 -7.534 6.662 17.535 1.00 0.00 C ATOM 1202 C SER A 78 -6.690 7.895 17.172 1.00 0.00 C ATOM 1203 O SER A 78 -5.474 7.844 17.174 1.00 0.00 O ATOM 1204 CB SER A 78 -6.894 5.390 16.973 1.00 0.00 C ATOM 1205 OG SER A 78 -7.023 4.341 17.924 1.00 0.00 O ATOM 0 H SER A 78 -9.673 6.602 17.539 1.00 0.00 H new ATOM 0 HA SER A 78 -7.601 6.640 18.623 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.376 5.109 16.037 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.842 5.566 16.749 1.00 0.00 H new ATOM 0 HG SER A 78 -6.616 3.524 17.567 1.00 0.00 H new ATOM 1211 N ALA A 79 -7.330 8.995 16.858 1.00 0.00 N ATOM 1212 CA ALA A 79 -6.572 10.231 16.491 1.00 0.00 C ATOM 1213 C ALA A 79 -6.819 11.338 17.521 1.00 0.00 C ATOM 1214 O ALA A 79 -5.967 12.170 17.765 1.00 0.00 O ATOM 1215 CB ALA A 79 -7.130 10.637 15.128 1.00 0.00 C ATOM 0 H ALA A 79 -8.345 9.090 16.840 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.495 10.062 16.464 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.626 11.540 14.783 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.963 9.832 14.412 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.199 10.829 15.215 1.00 0.00 H new ATOM 1221 N ALA A 80 -7.979 11.349 18.126 1.00 0.00 N ATOM 1222 CA ALA A 80 -8.289 12.398 19.143 1.00 0.00 C ATOM 1223 C ALA A 80 -9.134 11.793 20.277 1.00 0.00 C ATOM 1224 O ALA A 80 -10.333 11.987 20.320 1.00 0.00 O ATOM 1225 CB ALA A 80 -9.079 13.471 18.387 1.00 0.00 C ATOM 0 H ALA A 80 -8.726 10.675 17.959 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.391 12.812 19.601 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.343 14.278 19.071 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.469 13.868 17.576 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.988 13.032 17.976 1.00 0.00 H new ATOM 1231 N PRO A 81 -8.481 11.067 21.164 1.00 0.00 N ATOM 1232 CA PRO A 81 -9.202 10.436 22.295 1.00 0.00 C ATOM 1233 C PRO A 81 -9.565 11.487 23.345 1.00 0.00 C ATOM 1234 O PRO A 81 -8.705 12.160 23.881 1.00 0.00 O ATOM 1235 CB PRO A 81 -8.194 9.438 22.858 1.00 0.00 C ATOM 1236 CG PRO A 81 -6.853 9.975 22.470 1.00 0.00 C ATOM 1237 CD PRO A 81 -7.038 10.771 21.203 1.00 0.00 C ATOM 0 HA PRO A 81 -10.137 9.964 21.994 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.286 9.353 23.941 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.354 8.442 22.446 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.447 10.603 23.263 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.144 9.162 22.313 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.445 11.685 21.218 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.725 10.203 20.327 1.00 0.00 H new ATOM 1245 N THR A 82 -10.829 11.629 23.643 1.00 0.00 N ATOM 1246 CA THR A 82 -11.256 12.633 24.662 1.00 0.00 C ATOM 1247 C THR A 82 -12.261 12.002 25.628 1.00 0.00 C ATOM 1248 O THR A 82 -12.879 11.000 25.319 1.00 0.00 O ATOM 1249 CB THR A 82 -11.909 13.767 23.865 1.00 0.00 C ATOM 1250 OG1 THR A 82 -13.033 13.262 23.159 1.00 0.00 O ATOM 1251 CG2 THR A 82 -10.898 14.353 22.878 1.00 0.00 C ATOM 0 H THR A 82 -11.587 11.091 23.223 1.00 0.00 H new ATOM 0 HA THR A 82 -10.420 12.995 25.261 1.00 0.00 H new ATOM 0 HB THR A 82 -12.234 14.551 24.549 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.452 13.987 22.650 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.366 15.159 22.313 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.040 14.744 23.425 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.566 13.574 22.191 1.00 0.00 H new ATOM 1259 N ALA A 83 -12.423 12.576 26.792 1.00 0.00 N ATOM 1260 CA ALA A 83 -13.385 12.004 27.779 1.00 0.00 C ATOM 1261 C ALA A 83 -14.677 12.832 27.816 1.00 0.00 C ATOM 1262 O ALA A 83 -14.670 13.997 27.470 1.00 0.00 O ATOM 1263 CB ALA A 83 -12.667 12.074 29.127 1.00 0.00 C ATOM 0 H ALA A 83 -11.931 13.415 27.101 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.672 10.984 27.522 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.314 11.670 29.905 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -11.748 11.491 29.080 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.427 13.112 29.358 1.00 0.00 H new ATOM 1269 N PRO A 84 -15.755 12.203 28.236 1.00 0.00 N ATOM 1270 CA PRO A 84 -17.056 12.912 28.310 1.00 0.00 C ATOM 1271 C PRO A 84 -17.078 13.881 29.503 1.00 0.00 C ATOM 1272 O PRO A 84 -16.251 13.785 30.387 1.00 0.00 O ATOM 1273 CB PRO A 84 -18.068 11.788 28.513 1.00 0.00 C ATOM 1274 CG PRO A 84 -17.295 10.671 29.140 1.00 0.00 C ATOM 1275 CD PRO A 84 -15.868 10.801 28.674 1.00 0.00 C ATOM 0 HA PRO A 84 -17.262 13.514 27.425 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -18.888 12.108 29.156 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -18.508 11.479 27.565 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -17.351 10.727 30.227 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.709 9.706 28.848 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.165 10.577 29.477 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.651 10.111 27.859 1.00 0.00 H new ATOM 1283 N PRO A 85 -18.031 14.790 29.494 1.00 0.00 N ATOM 1284 CA PRO A 85 -18.143 15.773 30.602 1.00 0.00 C ATOM 1285 C PRO A 85 -18.651 15.087 31.873 1.00 0.00 C ATOM 1286 O PRO A 85 -19.360 14.100 31.814 1.00 0.00 O ATOM 1287 CB PRO A 85 -19.160 16.787 30.083 1.00 0.00 C ATOM 1288 CG PRO A 85 -19.980 16.036 29.085 1.00 0.00 C ATOM 1289 CD PRO A 85 -19.080 14.992 28.477 1.00 0.00 C ATOM 0 HA PRO A 85 -17.191 16.233 30.866 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.780 17.174 30.892 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.665 17.643 29.623 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -20.842 15.571 29.564 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -20.366 16.708 28.318 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -19.621 14.068 28.273 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -18.659 15.330 27.530 1.00 0.00 H new ATOM 1297 N THR A 86 -18.298 15.608 33.021 1.00 0.00 N ATOM 1298 CA THR A 86 -18.762 14.993 34.304 1.00 0.00 C ATOM 1299 C THR A 86 -19.280 16.083 35.243 1.00 0.00 C ATOM 1300 O THR A 86 -18.838 17.216 35.195 1.00 0.00 O ATOM 1301 CB THR A 86 -17.525 14.314 34.896 1.00 0.00 C ATOM 1302 OG1 THR A 86 -16.521 15.290 35.138 1.00 0.00 O ATOM 1303 CG2 THR A 86 -16.995 13.263 33.918 1.00 0.00 C ATOM 0 H THR A 86 -17.708 16.433 33.126 1.00 0.00 H new ATOM 0 HA THR A 86 -19.576 14.283 34.154 1.00 0.00 H new ATOM 0 HB THR A 86 -17.793 13.828 35.834 1.00 0.00 H new ATOM 0 HG1 THR A 86 -15.729 14.857 35.519 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.114 12.782 34.343 1.00 0.00 H new ATOM 0 HG22 THR A 86 -17.766 12.514 33.736 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.727 13.744 32.977 1.00 0.00 H new ATOM 1311 N GLY A 87 -20.216 15.750 36.097 1.00 0.00 N ATOM 1312 CA GLY A 87 -20.770 16.768 37.042 1.00 0.00 C ATOM 1313 C GLY A 87 -21.390 17.917 36.242 1.00 0.00 C ATOM 1314 O GLY A 87 -22.134 17.700 35.305 1.00 0.00 O ATOM 0 H GLY A 87 -20.620 14.817 36.180 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -21.521 16.312 37.687 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -19.980 17.146 37.691 1.00 0.00 H new ATOM 1318 N ALA A 88 -21.085 19.144 36.600 1.00 0.00 N ATOM 1319 CA ALA A 88 -21.649 20.323 35.861 1.00 0.00 C ATOM 1320 C ALA A 88 -23.174 20.211 35.735 1.00 0.00 C ATOM 1321 O ALA A 88 -23.755 20.586 34.734 1.00 0.00 O ATOM 1322 CB ALA A 88 -20.992 20.284 34.479 1.00 0.00 C ATOM 0 H ALA A 88 -20.467 19.381 37.376 1.00 0.00 H new ATOM 0 HA ALA A 88 -21.449 21.259 36.383 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -21.356 21.118 33.879 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -19.910 20.361 34.588 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -21.241 19.345 33.984 1.00 0.00 H new ATOM 1328 N ALA A 89 -23.820 19.697 36.750 1.00 0.00 N ATOM 1329 CA ALA A 89 -25.304 19.555 36.709 1.00 0.00 C ATOM 1330 C ALA A 89 -25.949 20.286 37.893 1.00 0.00 C ATOM 1331 O ALA A 89 -27.084 20.021 38.248 1.00 0.00 O ATOM 1332 CB ALA A 89 -25.551 18.050 36.811 1.00 0.00 C ATOM 0 H ALA A 89 -23.380 19.368 37.609 1.00 0.00 H new ATOM 0 HA ALA A 89 -25.735 19.986 35.805 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -26.623 17.855 36.788 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -25.072 17.545 35.972 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -25.134 17.675 37.746 1.00 0.00 H new ATOM 1338 N ASP A 90 -25.240 21.205 38.505 1.00 0.00 N ATOM 1339 CA ASP A 90 -25.817 21.955 39.662 1.00 0.00 C ATOM 1340 C ASP A 90 -26.829 22.985 39.158 1.00 0.00 C ATOM 1341 O ASP A 90 -26.621 23.619 38.141 1.00 0.00 O ATOM 1342 CB ASP A 90 -24.626 22.654 40.324 1.00 0.00 C ATOM 1343 CG ASP A 90 -23.857 21.666 41.212 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -24.425 20.650 41.582 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -22.705 21.945 41.506 1.00 0.00 O ATOM 0 H ASP A 90 -24.287 21.467 38.252 1.00 0.00 H new ATOM 0 HA ASP A 90 -26.339 21.301 40.361 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -23.963 23.060 39.560 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -24.976 23.496 40.922 1.00 0.00 H new ATOM 1350 N SER A 91 -27.926 23.159 39.859 1.00 0.00 N ATOM 1351 CA SER A 91 -28.964 24.152 39.420 1.00 0.00 C ATOM 1352 C SER A 91 -29.354 23.910 37.956 1.00 0.00 C ATOM 1353 O SER A 91 -28.746 24.439 37.046 1.00 0.00 O ATOM 1354 CB SER A 91 -28.307 25.526 39.585 1.00 0.00 C ATOM 1355 OG SER A 91 -28.864 26.178 40.718 1.00 0.00 O ATOM 0 H SER A 91 -28.149 22.656 40.718 1.00 0.00 H new ATOM 0 HA SER A 91 -29.879 24.069 40.006 1.00 0.00 H new ATOM 0 HB2 SER A 91 -27.230 25.415 39.708 1.00 0.00 H new ATOM 0 HB3 SER A 91 -28.465 26.128 38.690 1.00 0.00 H new ATOM 0 HG SER A 91 -28.445 27.057 40.828 1.00 0.00 H new ATOM 1361 N ILE A 92 -30.363 23.109 37.730 1.00 0.00 N ATOM 1362 CA ILE A 92 -30.800 22.822 36.331 1.00 0.00 C ATOM 1363 C ILE A 92 -32.232 23.316 36.106 1.00 0.00 C ATOM 1364 O ILE A 92 -32.934 22.824 35.241 1.00 0.00 O ATOM 1365 CB ILE A 92 -30.730 21.297 36.191 1.00 0.00 C ATOM 1366 CG1 ILE A 92 -31.650 20.631 37.224 1.00 0.00 C ATOM 1367 CG2 ILE A 92 -29.292 20.835 36.420 1.00 0.00 C ATOM 1368 CD1 ILE A 92 -31.750 19.133 36.930 1.00 0.00 C ATOM 0 H ILE A 92 -30.905 22.640 38.456 1.00 0.00 H new ATOM 0 HA ILE A 92 -30.172 23.327 35.597 1.00 0.00 H new ATOM 0 HB ILE A 92 -31.055 21.014 35.190 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -31.260 20.790 38.229 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -32.640 21.085 37.191 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -29.238 19.751 36.321 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -28.639 21.300 35.682 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -28.972 21.125 37.421 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -32.403 18.661 37.664 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -32.160 18.985 35.931 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -30.758 18.684 36.986 1.00 0.00 H new ATOM 1380 N ARG A 93 -32.673 24.275 36.879 1.00 0.00 N ATOM 1381 CA ARG A 93 -34.062 24.788 36.709 1.00 0.00 C ATOM 1382 C ARG A 93 -34.223 26.148 37.402 1.00 0.00 C ATOM 1383 O ARG A 93 -33.462 26.480 38.289 1.00 0.00 O ATOM 1384 CB ARG A 93 -34.958 23.735 37.370 1.00 0.00 C ATOM 1385 CG ARG A 93 -34.562 23.555 38.839 1.00 0.00 C ATOM 1386 CD ARG A 93 -35.324 22.366 39.429 1.00 0.00 C ATOM 1387 NE ARG A 93 -36.654 22.918 39.805 1.00 0.00 N ATOM 1388 CZ ARG A 93 -37.113 22.743 41.014 1.00 0.00 C ATOM 1389 NH1 ARG A 93 -37.248 21.536 41.491 1.00 0.00 N ATOM 1390 NH2 ARG A 93 -37.435 23.775 41.745 1.00 0.00 N ATOM 0 H ARG A 93 -32.132 24.723 37.618 1.00 0.00 H new ATOM 0 HA ARG A 93 -34.317 24.941 35.660 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -36.002 24.040 37.301 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -34.868 22.786 36.842 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -33.488 23.389 38.920 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -34.788 24.461 39.402 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -35.421 21.559 38.703 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -34.807 21.955 40.296 1.00 0.00 H new ATOM 0 HE ARG A 93 -37.206 23.432 39.119 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -36.995 20.730 40.919 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -37.607 21.398 42.436 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -37.328 24.718 41.371 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -37.794 23.639 42.690 1.00 0.00 H new ATOM 1404 N PRO A 94 -35.215 26.900 36.975 1.00 0.00 N ATOM 1405 CA PRO A 94 -35.461 28.231 37.579 1.00 0.00 C ATOM 1406 C PRO A 94 -36.049 28.083 38.990 1.00 0.00 C ATOM 1407 O PRO A 94 -36.618 27.058 39.312 1.00 0.00 O ATOM 1408 CB PRO A 94 -36.473 28.876 36.637 1.00 0.00 C ATOM 1409 CG PRO A 94 -37.172 27.732 35.974 1.00 0.00 C ATOM 1410 CD PRO A 94 -36.189 26.593 35.910 1.00 0.00 C ATOM 0 HA PRO A 94 -34.551 28.822 37.689 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -37.176 29.504 37.184 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -35.979 29.514 35.904 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -38.060 27.444 36.537 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -37.505 28.011 34.974 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -36.678 25.634 36.081 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -35.708 26.536 34.934 1.00 0.00 H new ATOM 1418 N PRO A 95 -35.894 29.112 39.797 1.00 0.00 N ATOM 1419 CA PRO A 95 -36.427 29.070 41.182 1.00 0.00 C ATOM 1420 C PRO A 95 -37.958 29.204 41.184 1.00 0.00 C ATOM 1421 O PRO A 95 -38.531 29.708 40.237 1.00 0.00 O ATOM 1422 CB PRO A 95 -35.785 30.279 41.854 1.00 0.00 C ATOM 1423 CG PRO A 95 -35.469 31.224 40.738 1.00 0.00 C ATOM 1424 CD PRO A 95 -35.219 30.391 39.508 1.00 0.00 C ATOM 0 HA PRO A 95 -36.204 28.131 41.689 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -36.463 30.734 42.576 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -34.884 29.995 42.397 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -36.295 31.915 40.573 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -34.593 31.826 40.980 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -35.628 30.865 38.616 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -34.153 30.248 39.333 1.00 0.00 H new ATOM 1432 N PRO A 96 -38.580 28.751 42.254 1.00 0.00 N ATOM 1433 CA PRO A 96 -40.061 28.838 42.361 1.00 0.00 C ATOM 1434 C PRO A 96 -40.508 30.295 42.530 1.00 0.00 C ATOM 1435 O PRO A 96 -41.631 30.648 42.221 1.00 0.00 O ATOM 1436 CB PRO A 96 -40.382 28.019 43.609 1.00 0.00 C ATOM 1437 CG PRO A 96 -39.129 28.049 44.424 1.00 0.00 C ATOM 1438 CD PRO A 96 -37.982 28.132 43.452 1.00 0.00 C ATOM 0 HA PRO A 96 -40.574 28.469 41.473 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -41.220 28.448 44.158 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -40.660 26.997 43.350 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -39.127 28.905 45.099 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -39.048 27.155 45.042 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -37.165 28.735 43.848 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -37.573 27.146 43.231 1.00 0.00 H new ATOM 1446 N TYR A 97 -39.637 31.142 43.024 1.00 0.00 N ATOM 1447 CA TYR A 97 -40.005 32.575 43.220 1.00 0.00 C ATOM 1448 C TYR A 97 -38.822 33.479 42.859 1.00 0.00 C ATOM 1449 O TYR A 97 -38.978 34.468 42.168 1.00 0.00 O ATOM 1450 CB TYR A 97 -40.336 32.696 44.708 1.00 0.00 C ATOM 1451 CG TYR A 97 -40.799 34.102 45.009 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -42.139 34.452 44.818 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -39.886 35.054 45.477 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -42.568 35.755 45.093 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -40.314 36.358 45.753 1.00 0.00 C ATOM 1456 CZ TYR A 97 -41.656 36.708 45.561 1.00 0.00 C ATOM 1457 OH TYR A 97 -42.079 37.993 45.832 1.00 0.00 O ATOM 0 H TYR A 97 -38.685 30.899 43.300 1.00 0.00 H new ATOM 0 HA TYR A 97 -40.840 32.878 42.589 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -41.113 31.980 44.978 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -39.458 32.455 45.307 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -42.843 33.716 44.458 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -38.851 34.783 45.625 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -43.603 36.025 44.944 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -39.610 37.093 46.114 1.00 0.00 H new ATOM 0 HH TYR A 97 -41.321 38.527 46.149 1.00 0.00 H new ATOM 1467 N SER A 98 -37.645 33.145 43.326 1.00 0.00 N ATOM 1468 CA SER A 98 -36.451 33.986 43.014 1.00 0.00 C ATOM 1469 C SER A 98 -35.152 33.223 43.320 1.00 0.00 C ATOM 1470 O SER A 98 -35.153 32.297 44.107 1.00 0.00 O ATOM 1471 CB SER A 98 -36.579 35.208 43.923 1.00 0.00 C ATOM 1472 OG SER A 98 -37.463 36.147 43.322 1.00 0.00 O ATOM 0 H SER A 98 -37.460 32.328 43.908 1.00 0.00 H new ATOM 0 HA SER A 98 -36.411 34.259 41.960 1.00 0.00 H new ATOM 0 HB2 SER A 98 -36.956 34.910 44.902 1.00 0.00 H new ATOM 0 HB3 SER A 98 -35.601 35.662 44.082 1.00 0.00 H new ATOM 0 HG SER A 98 -37.922 35.726 42.565 1.00 0.00 H new ATOM 1478 N PRO A 99 -34.075 33.638 42.683 1.00 0.00 N ATOM 1479 CA PRO A 99 -32.766 32.975 42.903 1.00 0.00 C ATOM 1480 C PRO A 99 -32.183 33.381 44.259 1.00 0.00 C ATOM 1481 O PRO A 99 -32.352 34.530 44.635 1.00 0.00 O ATOM 1482 CB PRO A 99 -31.898 33.503 41.763 1.00 0.00 C ATOM 1483 CG PRO A 99 -32.505 34.817 41.383 1.00 0.00 C ATOM 1484 CD PRO A 99 -33.973 34.745 41.714 1.00 0.00 C ATOM 1485 OXT PRO A 99 -31.578 32.537 44.900 1.00 0.00 O ATOM 0 HA PRO A 99 -32.835 31.887 42.912 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -30.862 33.625 42.081 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -31.894 32.813 40.919 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -32.028 35.632 41.927 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -32.360 35.015 40.321 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -34.331 35.682 42.141 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -34.572 34.551 40.824 1.00 0.00 H new TER 1493 PRO A 99 HETATM 1494 ZN ZN A 100 11.407 -2.492 -2.213 1.00 0.00 ZN HETATM 1495 ZN ZN A 101 0.857 1.260 -2.942 1.00 0.00 ZN