USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.993 (180deg=0.227) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -3.18 K(o=-3.2,f=-8!) USER MOD Single : A 7 TYR OH : rot 110:sc= -0.158 USER MOD Single : A 9 THR OG1 : rot 180:sc= -1 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 14 CYS SG : rot -170:sc= -2.07 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -11.8! C(o=-12!,f=-25!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= 0.153 (180deg=0.101) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.39 K(o=-0.39,f=-3.4!) USER MOD Single : A 49 THR OG1 : rot -39:sc= 0.613 USER MOD Single : A 61 LYS NZ :NH3+ 152:sc= -0.154 (180deg=-0.636) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= -0.0155 (180deg=-0.17) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.606 -10.764 -8.194 1.00 0.00 N ATOM 2 CA MET A 1 4.200 -9.402 -8.259 1.00 0.00 C ATOM 3 C MET A 1 3.130 -8.324 -8.132 1.00 0.00 C ATOM 4 O MET A 1 2.793 -7.657 -9.110 1.00 0.00 O ATOM 5 CB MET A 1 4.939 -9.258 -9.591 1.00 0.00 C ATOM 6 CG MET A 1 6.401 -9.673 -9.525 1.00 0.00 C ATOM 7 SD MET A 1 7.479 -8.574 -10.464 1.00 0.00 S ATOM 8 CE MET A 1 7.115 -9.091 -12.139 1.00 0.00 C ATOM 0 H1 MET A 1 4.219 -11.435 -8.700 1.00 0.00 H new ATOM 0 H2 MET A 1 3.518 -11.057 -7.200 1.00 0.00 H new ATOM 0 H3 MET A 1 2.665 -10.754 -8.637 1.00 0.00 H new ATOM 0 HA MET A 1 4.892 -9.274 -7.427 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.433 -9.861 -10.345 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.879 -8.220 -9.920 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.723 -9.689 -8.484 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.504 -10.689 -9.906 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.707 -8.501 -12.839 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.361 -10.146 -12.256 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.055 -8.941 -12.344 1.00 0.00 H new ATOM 20 N MET A 2 2.595 -8.150 -6.924 1.00 0.00 N ATOM 21 CA MET A 2 1.568 -7.141 -6.701 1.00 0.00 C ATOM 22 C MET A 2 2.180 -5.741 -6.639 1.00 0.00 C ATOM 23 O MET A 2 2.920 -5.417 -5.712 1.00 0.00 O ATOM 24 CB MET A 2 0.802 -7.440 -5.410 1.00 0.00 C ATOM 25 CG MET A 2 -0.676 -7.721 -5.632 1.00 0.00 C ATOM 26 SD MET A 2 -1.169 -9.363 -5.070 1.00 0.00 S ATOM 27 CE MET A 2 -2.160 -9.912 -6.458 1.00 0.00 C ATOM 0 H MET A 2 2.853 -8.688 -6.097 1.00 0.00 H new ATOM 0 HA MET A 2 0.873 -7.173 -7.540 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.257 -8.300 -4.918 1.00 0.00 H new ATOM 0 HB3 MET A 2 0.905 -6.593 -4.732 1.00 0.00 H new ATOM 0 HG2 MET A 2 -1.267 -6.970 -5.107 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.904 -7.622 -6.693 1.00 0.00 H new ATOM 0 HE1 MET A 2 -2.538 -10.915 -6.261 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.998 -9.230 -6.599 1.00 0.00 H new ATOM 0 HE3 MET A 2 -1.548 -9.926 -7.360 1.00 0.00 H new ATOM 37 N LYS A 3 1.858 -4.909 -7.625 1.00 0.00 N ATOM 38 CA LYS A 3 2.374 -3.545 -7.660 1.00 0.00 C ATOM 39 C LYS A 3 1.744 -2.733 -6.540 1.00 0.00 C ATOM 40 O LYS A 3 0.526 -2.576 -6.487 1.00 0.00 O ATOM 41 CB LYS A 3 2.081 -2.896 -9.016 1.00 0.00 C ATOM 42 CG LYS A 3 3.325 -2.642 -9.849 1.00 0.00 C ATOM 43 CD LYS A 3 3.749 -1.183 -9.788 1.00 0.00 C ATOM 44 CE LYS A 3 4.405 -0.738 -11.084 1.00 0.00 C ATOM 45 NZ LYS A 3 3.464 0.029 -11.948 1.00 0.00 N ATOM 0 H LYS A 3 1.247 -5.153 -8.405 1.00 0.00 H new ATOM 0 HA LYS A 3 3.455 -3.571 -7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.402 -3.538 -9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.564 -1.951 -8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.138 -3.273 -9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.134 -2.923 -10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.879 -0.558 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.443 -1.039 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.275 -0.121 -10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.766 -1.612 -11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.950 0.314 -12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.646 -0.568 -12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.139 0.876 -11.440 1.00 0.00 H new ATOM 59 N ILE A 4 2.575 -2.241 -5.633 1.00 0.00 N ATOM 60 CA ILE A 4 2.087 -1.472 -4.498 1.00 0.00 C ATOM 61 C ILE A 4 2.825 -0.145 -4.343 1.00 0.00 C ATOM 62 O ILE A 4 4.037 -0.113 -4.133 1.00 0.00 O ATOM 63 CB ILE A 4 2.211 -2.296 -3.197 1.00 0.00 C ATOM 64 CG1 ILE A 4 0.983 -3.181 -3.022 1.00 0.00 C ATOM 65 CG2 ILE A 4 2.393 -1.397 -1.982 1.00 0.00 C ATOM 66 CD1 ILE A 4 1.211 -4.351 -2.098 1.00 0.00 C ATOM 0 H ILE A 4 3.588 -2.360 -5.661 1.00 0.00 H new ATOM 0 HA ILE A 4 1.038 -1.248 -4.689 1.00 0.00 H new ATOM 0 HB ILE A 4 3.098 -2.924 -3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.162 -2.577 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.672 -3.554 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.477 -2.010 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.299 -0.803 -2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.534 -0.733 -1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.295 -4.937 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.010 -4.977 -2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.492 -3.985 -1.111 1.00 0.00 H new ATOM 78 N GLN A 5 2.071 0.945 -4.426 1.00 0.00 N ATOM 79 CA GLN A 5 2.639 2.285 -4.272 1.00 0.00 C ATOM 80 C GLN A 5 2.135 2.930 -2.983 1.00 0.00 C ATOM 81 O GLN A 5 0.926 3.042 -2.776 1.00 0.00 O ATOM 82 CB GLN A 5 2.301 3.173 -5.477 1.00 0.00 C ATOM 83 CG GLN A 5 1.095 2.707 -6.276 1.00 0.00 C ATOM 84 CD GLN A 5 1.420 1.552 -7.206 1.00 0.00 C ATOM 85 OE1 GLN A 5 2.374 0.809 -6.980 1.00 0.00 O ATOM 86 NE2 GLN A 5 0.626 1.399 -8.260 1.00 0.00 N ATOM 0 H GLN A 5 1.066 0.931 -4.599 1.00 0.00 H new ATOM 0 HA GLN A 5 3.723 2.186 -4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.120 4.189 -5.126 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.167 3.214 -6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.304 2.404 -5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.707 3.541 -6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.154 2.039 -8.408 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.796 0.641 -8.921 1.00 0.00 H new ATOM 95 N ILE A 6 3.061 3.347 -2.116 1.00 0.00 N ATOM 96 CA ILE A 6 2.691 3.973 -0.847 1.00 0.00 C ATOM 97 C ILE A 6 2.842 5.491 -0.912 1.00 0.00 C ATOM 98 O ILE A 6 3.954 6.007 -1.015 1.00 0.00 O ATOM 99 CB ILE A 6 3.549 3.433 0.315 1.00 0.00 C ATOM 100 CG1 ILE A 6 3.671 1.911 0.224 1.00 0.00 C ATOM 101 CG2 ILE A 6 2.954 3.844 1.654 1.00 0.00 C ATOM 102 CD1 ILE A 6 4.804 1.449 -0.663 1.00 0.00 C ATOM 0 H ILE A 6 4.066 3.263 -2.269 1.00 0.00 H new ATOM 0 HA ILE A 6 1.645 3.724 -0.667 1.00 0.00 H new ATOM 0 HB ILE A 6 4.547 3.864 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.816 1.506 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.734 1.501 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.573 3.454 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.917 4.932 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.945 3.441 1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.831 0.359 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.651 1.825 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.749 1.829 -0.274 1.00 0.00 H new ATOM 114 N TYR A 7 1.714 6.200 -0.866 1.00 0.00 N ATOM 115 CA TYR A 7 1.721 7.658 -0.938 1.00 0.00 C ATOM 116 C TYR A 7 1.697 8.286 0.449 1.00 0.00 C ATOM 117 O TYR A 7 0.683 8.247 1.147 1.00 0.00 O ATOM 118 CB TYR A 7 0.530 8.140 -1.771 1.00 0.00 C ATOM 119 CG TYR A 7 0.610 7.689 -3.217 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.295 8.426 -4.180 1.00 0.00 C ATOM 121 CD2 TYR A 7 0.023 6.497 -3.610 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.384 7.983 -5.485 1.00 0.00 C ATOM 123 CE2 TYR A 7 0.103 6.050 -4.911 1.00 0.00 C ATOM 124 CZ TYR A 7 0.787 6.795 -5.847 1.00 0.00 C ATOM 125 OH TYR A 7 0.874 6.351 -7.145 1.00 0.00 O ATOM 0 H TYR A 7 0.785 5.787 -0.779 1.00 0.00 H new ATOM 0 HA TYR A 7 2.646 7.973 -1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.393 7.767 -1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.483 9.228 -1.736 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.764 9.358 -3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.509 5.905 -2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.920 8.566 -6.220 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.368 5.121 -5.196 1.00 0.00 H new ATOM 0 HH TYR A 7 1.457 5.564 -7.183 1.00 0.00 H new ATOM 135 N GLY A 8 2.830 8.868 0.838 1.00 0.00 N ATOM 136 CA GLY A 8 2.933 9.502 2.138 1.00 0.00 C ATOM 137 C GLY A 8 4.274 9.252 2.800 1.00 0.00 C ATOM 138 O GLY A 8 5.174 10.090 2.732 1.00 0.00 O ATOM 0 H GLY A 8 3.678 8.911 0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.780 10.576 2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.137 9.131 2.784 1.00 0.00 H new ATOM 142 N THR A 9 4.408 8.095 3.440 1.00 0.00 N ATOM 143 CA THR A 9 5.647 7.728 4.116 1.00 0.00 C ATOM 144 C THR A 9 5.879 8.585 5.357 1.00 0.00 C ATOM 145 O THR A 9 5.814 8.093 6.484 1.00 0.00 O ATOM 146 CB THR A 9 6.864 7.860 3.180 1.00 0.00 C ATOM 147 OG1 THR A 9 6.579 7.247 1.917 1.00 0.00 O ATOM 148 CG2 THR A 9 8.094 7.215 3.797 1.00 0.00 C ATOM 0 H THR A 9 3.671 7.393 3.505 1.00 0.00 H new ATOM 0 HA THR A 9 5.540 6.685 4.415 1.00 0.00 H new ATOM 0 HB THR A 9 7.067 8.921 3.031 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.356 7.336 1.327 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.940 7.321 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.325 7.704 4.743 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.900 6.157 3.973 1.00 0.00 H new ATOM 156 N GLY A 10 6.154 9.868 5.144 1.00 0.00 N ATOM 157 CA GLY A 10 6.395 10.770 6.255 1.00 0.00 C ATOM 158 C GLY A 10 5.145 11.039 7.070 1.00 0.00 C ATOM 159 O GLY A 10 4.831 10.298 8.002 1.00 0.00 O ATOM 0 H GLY A 10 6.214 10.299 4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.162 10.346 6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.786 11.714 5.874 1.00 0.00 H new ATOM 163 N CYS A 11 4.429 12.103 6.718 1.00 0.00 N ATOM 164 CA CYS A 11 3.207 12.473 7.422 1.00 0.00 C ATOM 165 C CYS A 11 2.222 11.307 7.465 1.00 0.00 C ATOM 166 O CYS A 11 1.419 11.194 8.392 1.00 0.00 O ATOM 167 CB CYS A 11 2.553 13.682 6.751 1.00 0.00 C ATOM 168 SG CYS A 11 3.217 15.275 7.293 1.00 0.00 S ATOM 0 H CYS A 11 4.675 12.725 5.948 1.00 0.00 H new ATOM 0 HA CYS A 11 3.476 12.733 8.446 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.678 13.597 5.672 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.482 13.660 6.951 1.00 0.00 H new ATOM 0 HG CYS A 11 2.603 16.236 6.669 1.00 0.00 H new ATOM 174 N ALA A 12 2.289 10.441 6.459 1.00 0.00 N ATOM 175 CA ALA A 12 1.403 9.285 6.387 1.00 0.00 C ATOM 176 C ALA A 12 2.023 8.073 7.074 1.00 0.00 C ATOM 177 O ALA A 12 3.068 7.576 6.654 1.00 0.00 O ATOM 178 CB ALA A 12 1.072 8.965 4.936 1.00 0.00 C ATOM 0 H ALA A 12 2.947 10.518 5.683 1.00 0.00 H new ATOM 0 HA ALA A 12 0.480 9.531 6.912 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.410 8.100 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.578 9.822 4.478 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.991 8.744 4.393 1.00 0.00 H new ATOM 184 N ASN A 13 1.369 7.597 8.133 1.00 0.00 N ATOM 185 CA ASN A 13 1.848 6.438 8.884 1.00 0.00 C ATOM 186 C ASN A 13 1.573 5.125 8.145 1.00 0.00 C ATOM 187 O ASN A 13 1.638 4.049 8.740 1.00 0.00 O ATOM 188 CB ASN A 13 1.195 6.401 10.266 1.00 0.00 C ATOM 189 CG ASN A 13 1.341 7.713 11.011 1.00 0.00 C ATOM 190 OD1 ASN A 13 0.474 8.584 10.935 1.00 0.00 O ATOM 191 ND2 ASN A 13 2.445 7.863 11.735 1.00 0.00 N ATOM 0 H ASN A 13 0.502 7.998 8.491 1.00 0.00 H new ATOM 0 HA ASN A 13 2.928 6.540 8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.137 6.164 10.158 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.643 5.600 10.855 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.600 8.726 12.256 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.138 7.115 11.770 1.00 0.00 H new ATOM 198 N CYS A 14 1.264 5.213 6.854 1.00 0.00 N ATOM 199 CA CYS A 14 0.980 4.023 6.051 1.00 0.00 C ATOM 200 C CYS A 14 2.152 3.042 6.073 1.00 0.00 C ATOM 201 O CYS A 14 1.987 1.857 5.779 1.00 0.00 O ATOM 202 CB CYS A 14 0.661 4.416 4.604 1.00 0.00 C ATOM 203 SG CYS A 14 1.754 5.681 3.916 1.00 0.00 S ATOM 0 H CYS A 14 1.204 6.093 6.341 1.00 0.00 H new ATOM 0 HA CYS A 14 0.113 3.530 6.490 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.716 3.526 3.978 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.367 4.776 4.556 1.00 0.00 H new ATOM 0 HG CYS A 14 1.280 6.092 2.778 1.00 0.00 H new ATOM 209 N GLN A 15 3.334 3.542 6.422 1.00 0.00 N ATOM 210 CA GLN A 15 4.539 2.726 6.487 1.00 0.00 C ATOM 211 C GLN A 15 4.293 1.418 7.244 1.00 0.00 C ATOM 212 O GLN A 15 4.941 0.405 6.977 1.00 0.00 O ATOM 213 CB GLN A 15 5.648 3.553 7.145 1.00 0.00 C ATOM 214 CG GLN A 15 5.854 3.270 8.627 1.00 0.00 C ATOM 215 CD GLN A 15 6.946 4.127 9.238 1.00 0.00 C ATOM 216 OE1 GLN A 15 8.092 3.695 9.362 1.00 0.00 O ATOM 217 NE2 GLN A 15 6.595 5.348 9.624 1.00 0.00 N ATOM 0 H GLN A 15 3.482 4.521 6.667 1.00 0.00 H new ATOM 0 HA GLN A 15 4.842 2.444 5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.584 3.365 6.619 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.418 4.611 7.019 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.919 3.445 9.160 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.105 2.218 8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.633 5.665 9.502 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.287 5.969 10.042 1.00 0.00 H new ATOM 226 N MET A 16 3.351 1.446 8.181 1.00 0.00 N ATOM 227 CA MET A 16 3.021 0.260 8.967 1.00 0.00 C ATOM 228 C MET A 16 2.458 -0.841 8.073 1.00 0.00 C ATOM 229 O MET A 16 3.023 -1.932 7.983 1.00 0.00 O ATOM 230 CB MET A 16 2.009 0.612 10.059 1.00 0.00 C ATOM 231 CG MET A 16 2.100 -0.284 11.284 1.00 0.00 C ATOM 232 SD MET A 16 0.849 -1.582 11.290 1.00 0.00 S ATOM 233 CE MET A 16 0.125 -1.347 12.910 1.00 0.00 C ATOM 0 H MET A 16 2.803 2.274 8.415 1.00 0.00 H new ATOM 0 HA MET A 16 3.936 -0.105 9.434 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.161 1.647 10.364 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.003 0.547 9.645 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.090 -0.739 11.324 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.992 0.324 12.182 1.00 0.00 H new ATOM 0 HE1 MET A 16 -0.668 -2.079 13.064 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.892 -1.477 13.674 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.290 -0.342 12.981 1.00 0.00 H new ATOM 243 N LEU A 17 1.345 -0.545 7.410 1.00 0.00 N ATOM 244 CA LEU A 17 0.708 -1.506 6.516 1.00 0.00 C ATOM 245 C LEU A 17 1.666 -1.913 5.406 1.00 0.00 C ATOM 246 O LEU A 17 1.699 -3.071 4.990 1.00 0.00 O ATOM 247 CB LEU A 17 -0.573 -0.896 5.926 1.00 0.00 C ATOM 248 CG LEU A 17 -1.158 -1.596 4.690 1.00 0.00 C ATOM 249 CD1 LEU A 17 -0.387 -1.212 3.436 1.00 0.00 C ATOM 250 CD2 LEU A 17 -1.166 -3.106 4.874 1.00 0.00 C ATOM 0 H LEU A 17 0.865 0.353 7.475 1.00 0.00 H new ATOM 0 HA LEU A 17 0.445 -2.399 7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.336 -0.884 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.368 0.142 5.665 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.189 -1.263 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.819 -1.720 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.445 -0.134 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.656 -1.507 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.585 -3.579 3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.146 -3.459 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.773 -3.364 5.742 1.00 0.00 H new ATOM 262 N GLU A 18 2.443 -0.949 4.929 1.00 0.00 N ATOM 263 CA GLU A 18 3.409 -1.216 3.853 1.00 0.00 C ATOM 264 C GLU A 18 4.337 -2.373 4.228 1.00 0.00 C ATOM 265 O GLU A 18 4.729 -3.166 3.372 1.00 0.00 O ATOM 266 CB GLU A 18 4.256 0.026 3.500 1.00 0.00 C ATOM 267 CG GLU A 18 5.275 -0.238 2.404 1.00 0.00 C ATOM 268 CD GLU A 18 6.573 -0.810 2.942 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.321 -0.062 3.607 1.00 0.00 O ATOM 270 OE2 GLU A 18 6.841 -2.005 2.696 1.00 0.00 O ATOM 0 H GLU A 18 2.430 0.016 5.260 1.00 0.00 H new ATOM 0 HA GLU A 18 2.824 -1.486 2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.594 0.832 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.775 0.371 4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.851 -0.930 1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.483 0.692 1.875 1.00 0.00 H new ATOM 277 N LYS A 19 4.692 -2.459 5.509 1.00 0.00 N ATOM 278 CA LYS A 19 5.584 -3.515 5.986 1.00 0.00 C ATOM 279 C LYS A 19 4.889 -4.876 5.992 1.00 0.00 C ATOM 280 O LYS A 19 5.400 -5.849 5.426 1.00 0.00 O ATOM 281 CB LYS A 19 6.091 -3.186 7.391 1.00 0.00 C ATOM 282 CG LYS A 19 7.104 -4.187 7.921 1.00 0.00 C ATOM 283 CD LYS A 19 8.048 -3.547 8.926 1.00 0.00 C ATOM 284 CE LYS A 19 8.837 -4.596 9.694 1.00 0.00 C ATOM 285 NZ LYS A 19 9.269 -4.098 11.030 1.00 0.00 N ATOM 0 H LYS A 19 4.377 -1.813 6.233 1.00 0.00 H new ATOM 0 HA LYS A 19 6.429 -3.569 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.543 -2.194 7.382 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.243 -3.144 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.582 -5.020 8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.679 -4.598 7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.736 -2.880 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.477 -2.935 9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.226 -5.490 9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.713 -4.888 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.804 -4.842 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.873 -3.260 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.432 -3.843 11.593 1.00 0.00 H new ATOM 299 N ASN A 20 3.719 -4.946 6.626 1.00 0.00 N ATOM 300 CA ASN A 20 2.977 -6.207 6.681 1.00 0.00 C ATOM 301 C ASN A 20 2.587 -6.637 5.274 1.00 0.00 C ATOM 302 O ASN A 20 2.531 -7.826 4.967 1.00 0.00 O ATOM 303 CB ASN A 20 1.733 -6.118 7.585 1.00 0.00 C ATOM 304 CG ASN A 20 0.692 -5.136 7.091 1.00 0.00 C ATOM 305 OD1 ASN A 20 0.453 -5.010 5.892 1.00 0.00 O ATOM 306 ND2 ASN A 20 0.055 -4.439 8.026 1.00 0.00 N ATOM 0 H ASN A 20 3.271 -4.162 7.100 1.00 0.00 H new ATOM 0 HA ASN A 20 3.633 -6.957 7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.280 -7.106 7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.044 -5.830 8.589 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.665 -3.767 7.760 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.286 -4.576 9.010 1.00 0.00 H new ATOM 313 N ALA A 21 2.328 -5.655 4.420 1.00 0.00 N ATOM 314 CA ALA A 21 1.957 -5.922 3.038 1.00 0.00 C ATOM 315 C ALA A 21 3.047 -6.716 2.320 1.00 0.00 C ATOM 316 O ALA A 21 2.759 -7.670 1.600 1.00 0.00 O ATOM 317 CB ALA A 21 1.689 -4.617 2.308 1.00 0.00 C ATOM 0 H ALA A 21 2.368 -4.665 4.662 1.00 0.00 H new ATOM 0 HA ALA A 21 1.047 -6.522 3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.412 -4.828 1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.875 -4.085 2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.587 -4.000 2.324 1.00 0.00 H new ATOM 323 N ARG A 22 4.301 -6.314 2.517 1.00 0.00 N ATOM 324 CA ARG A 22 5.430 -6.986 1.886 1.00 0.00 C ATOM 325 C ARG A 22 5.479 -8.460 2.266 1.00 0.00 C ATOM 326 O ARG A 22 5.554 -9.330 1.399 1.00 0.00 O ATOM 327 CB ARG A 22 6.744 -6.302 2.283 1.00 0.00 C ATOM 328 CG ARG A 22 7.275 -5.339 1.236 1.00 0.00 C ATOM 329 CD ARG A 22 8.536 -4.640 1.718 1.00 0.00 C ATOM 330 NE ARG A 22 9.518 -5.590 2.238 1.00 0.00 N ATOM 331 CZ ARG A 22 10.280 -5.369 3.308 1.00 0.00 C ATOM 332 NH1 ARG A 22 10.197 -4.223 3.975 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.136 -6.298 3.712 1.00 0.00 N ATOM 0 H ARG A 22 4.559 -5.525 3.110 1.00 0.00 H new ATOM 0 HA ARG A 22 5.299 -6.916 0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.593 -5.761 3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.497 -7.066 2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.487 -5.881 0.314 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.512 -4.597 1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.976 -4.076 0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.278 -3.921 2.496 1.00 0.00 H new ATOM 0 HE ARG A 22 9.627 -6.479 1.750 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.545 -3.501 3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.786 -4.065 4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.210 -7.179 3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.721 -6.131 4.531 1.00 0.00 H new ATOM 347 N GLU A 23 5.449 -8.739 3.563 1.00 0.00 N ATOM 348 CA GLU A 23 5.502 -10.120 4.031 1.00 0.00 C ATOM 349 C GLU A 23 4.231 -10.882 3.662 1.00 0.00 C ATOM 350 O GLU A 23 4.299 -11.978 3.112 1.00 0.00 O ATOM 351 CB GLU A 23 5.733 -10.174 5.545 1.00 0.00 C ATOM 352 CG GLU A 23 4.755 -9.335 6.351 1.00 0.00 C ATOM 353 CD GLU A 23 3.523 -10.114 6.770 1.00 0.00 C ATOM 354 OE1 GLU A 23 3.636 -11.344 6.960 1.00 0.00 O ATOM 355 OE2 GLU A 23 2.447 -9.496 6.906 1.00 0.00 O ATOM 0 H GLU A 23 5.389 -8.038 4.302 1.00 0.00 H new ATOM 0 HA GLU A 23 6.343 -10.603 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.665 -11.210 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.747 -9.837 5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.257 -8.952 7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.450 -8.471 5.760 1.00 0.00 H new ATOM 362 N ALA A 24 3.077 -10.304 3.971 1.00 0.00 N ATOM 363 CA ALA A 24 1.800 -10.947 3.674 1.00 0.00 C ATOM 364 C ALA A 24 1.619 -11.182 2.179 1.00 0.00 C ATOM 365 O ALA A 24 1.307 -12.294 1.759 1.00 0.00 O ATOM 366 CB ALA A 24 0.647 -10.118 4.222 1.00 0.00 C ATOM 0 H ALA A 24 2.997 -9.394 4.426 1.00 0.00 H new ATOM 0 HA ALA A 24 1.802 -11.921 4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.297 -10.611 3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.751 -10.019 5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.660 -9.129 3.764 1.00 0.00 H new ATOM 372 N VAL A 25 1.806 -10.140 1.377 1.00 0.00 N ATOM 373 CA VAL A 25 1.645 -10.263 -0.069 1.00 0.00 C ATOM 374 C VAL A 25 2.504 -11.407 -0.619 1.00 0.00 C ATOM 375 O VAL A 25 1.989 -12.322 -1.262 1.00 0.00 O ATOM 376 CB VAL A 25 1.969 -8.922 -0.800 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.469 -8.696 -0.937 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.294 -8.888 -2.163 1.00 0.00 C ATOM 0 H VAL A 25 2.067 -9.208 1.699 1.00 0.00 H new ATOM 0 HA VAL A 25 0.598 -10.497 -0.264 1.00 0.00 H new ATOM 0 HB VAL A 25 1.575 -8.110 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.649 -7.752 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.924 -8.663 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.909 -9.512 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.528 -7.948 -2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.655 -9.719 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.215 -8.973 -2.037 1.00 0.00 H new ATOM 388 N LYS A 26 3.805 -11.360 -0.351 1.00 0.00 N ATOM 389 CA LYS A 26 4.724 -12.396 -0.808 1.00 0.00 C ATOM 390 C LYS A 26 4.440 -13.735 -0.127 1.00 0.00 C ATOM 391 O LYS A 26 4.318 -14.764 -0.791 1.00 0.00 O ATOM 392 CB LYS A 26 6.169 -11.975 -0.522 1.00 0.00 C ATOM 393 CG LYS A 26 6.612 -10.740 -1.292 1.00 0.00 C ATOM 394 CD LYS A 26 7.896 -10.995 -2.067 1.00 0.00 C ATOM 395 CE LYS A 26 8.798 -9.771 -2.072 1.00 0.00 C ATOM 396 NZ LYS A 26 9.864 -9.869 -3.107 1.00 0.00 N ATOM 0 H LYS A 26 4.248 -10.612 0.183 1.00 0.00 H new ATOM 0 HA LYS A 26 4.580 -12.520 -1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.278 -11.784 0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.834 -12.803 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.824 -10.438 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.763 -9.913 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.427 -11.838 -1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.654 -11.274 -3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.198 -8.879 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.256 -9.654 -1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.457 -9.015 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.453 -10.706 -2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.428 -9.955 -4.047 1.00 0.00 H new ATOM 410 N GLU A 27 4.340 -13.715 1.203 1.00 0.00 N ATOM 411 CA GLU A 27 4.078 -14.932 1.973 1.00 0.00 C ATOM 412 C GLU A 27 2.782 -15.601 1.531 1.00 0.00 C ATOM 413 O GLU A 27 2.718 -16.824 1.408 1.00 0.00 O ATOM 414 CB GLU A 27 4.020 -14.620 3.469 1.00 0.00 C ATOM 415 CG GLU A 27 4.020 -15.861 4.348 1.00 0.00 C ATOM 416 CD GLU A 27 2.941 -15.823 5.414 1.00 0.00 C ATOM 417 OE1 GLU A 27 1.748 -15.898 5.053 1.00 0.00 O ATOM 418 OE2 GLU A 27 3.290 -15.720 6.608 1.00 0.00 O ATOM 0 H GLU A 27 4.436 -12.872 1.768 1.00 0.00 H new ATOM 0 HA GLU A 27 4.900 -15.623 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.873 -13.996 3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.122 -14.038 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.878 -16.743 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.994 -15.963 4.826 1.00 0.00 H new ATOM 425 N LEU A 28 1.752 -14.796 1.286 1.00 0.00 N ATOM 426 CA LEU A 28 0.460 -15.319 0.847 1.00 0.00 C ATOM 427 C LEU A 28 0.622 -16.208 -0.384 1.00 0.00 C ATOM 428 O LEU A 28 -0.254 -17.010 -0.704 1.00 0.00 O ATOM 429 CB LEU A 28 -0.504 -14.170 0.535 1.00 0.00 C ATOM 430 CG LEU A 28 -1.486 -13.814 1.657 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.637 -14.806 1.686 1.00 0.00 C ATOM 432 CD2 LEU A 28 -0.780 -13.770 3.007 1.00 0.00 C ATOM 0 H LEU A 28 1.786 -13.781 1.383 1.00 0.00 H new ATOM 0 HA LEU A 28 0.048 -15.920 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.081 -13.283 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.075 -14.429 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.888 -12.821 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.326 -14.540 2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.163 -14.781 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.248 -15.809 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.499 -13.515 3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.344 -14.746 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.008 -13.018 2.981 1.00 0.00 H new ATOM 444 N GLY A 29 1.750 -16.055 -1.072 1.00 0.00 N ATOM 445 CA GLY A 29 2.011 -16.846 -2.260 1.00 0.00 C ATOM 446 C GLY A 29 2.050 -16.003 -3.518 1.00 0.00 C ATOM 447 O GLY A 29 1.785 -16.499 -4.614 1.00 0.00 O ATOM 0 H GLY A 29 2.489 -15.396 -0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.962 -17.366 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.240 -17.610 -2.361 1.00 0.00 H new ATOM 451 N ILE A 30 2.386 -14.726 -3.362 1.00 0.00 N ATOM 452 CA ILE A 30 2.464 -13.809 -4.494 1.00 0.00 C ATOM 453 C ILE A 30 3.385 -12.637 -4.178 1.00 0.00 C ATOM 454 O ILE A 30 3.070 -11.796 -3.338 1.00 0.00 O ATOM 455 CB ILE A 30 1.080 -13.251 -4.897 1.00 0.00 C ATOM 456 CG1 ILE A 30 -0.048 -14.184 -4.446 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.019 -13.035 -6.401 1.00 0.00 C ATOM 458 CD1 ILE A 30 -1.431 -13.639 -4.729 1.00 0.00 C ATOM 0 H ILE A 30 2.609 -14.302 -2.461 1.00 0.00 H new ATOM 0 HA ILE A 30 2.861 -14.388 -5.328 1.00 0.00 H new ATOM 0 HB ILE A 30 0.943 -12.293 -4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.064 -15.146 -4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.049 -14.368 -3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.039 -12.642 -6.673 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.790 -12.324 -6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.184 -13.984 -6.912 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.180 -14.351 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.563 -12.692 -4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.547 -13.481 -5.801 1.00 0.00 H new ATOM 470 N ASP A 31 4.518 -12.578 -4.863 1.00 0.00 N ATOM 471 CA ASP A 31 5.476 -11.504 -4.661 1.00 0.00 C ATOM 472 C ASP A 31 4.833 -10.169 -5.011 1.00 0.00 C ATOM 473 O ASP A 31 3.831 -10.126 -5.721 1.00 0.00 O ATOM 474 CB ASP A 31 6.727 -11.737 -5.523 1.00 0.00 C ATOM 475 CG ASP A 31 7.128 -13.200 -5.589 1.00 0.00 C ATOM 476 OD1 ASP A 31 7.003 -13.896 -4.560 1.00 0.00 O ATOM 477 OD2 ASP A 31 7.567 -13.647 -6.669 1.00 0.00 O ATOM 0 H ASP A 31 4.796 -13.264 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 31 5.777 -11.488 -3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.542 -11.369 -6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.555 -11.155 -5.119 1.00 0.00 H new ATOM 482 N ALA A 32 5.401 -9.082 -4.508 1.00 0.00 N ATOM 483 CA ALA A 32 4.876 -7.762 -4.773 1.00 0.00 C ATOM 484 C ALA A 32 5.996 -6.750 -4.704 1.00 0.00 C ATOM 485 O ALA A 32 6.998 -6.968 -4.023 1.00 0.00 O ATOM 486 CB ALA A 32 3.769 -7.424 -3.790 1.00 0.00 C ATOM 0 H ALA A 32 6.229 -9.095 -3.912 1.00 0.00 H new ATOM 0 HA ALA A 32 4.447 -7.738 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.385 -6.427 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.963 -8.152 -3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.164 -7.451 -2.774 1.00 0.00 H new ATOM 492 N GLU A 33 5.837 -5.647 -5.411 1.00 0.00 N ATOM 493 CA GLU A 33 6.859 -4.622 -5.418 1.00 0.00 C ATOM 494 C GLU A 33 6.331 -3.350 -4.778 1.00 0.00 C ATOM 495 O GLU A 33 5.399 -2.728 -5.288 1.00 0.00 O ATOM 496 CB GLU A 33 7.333 -4.340 -6.844 1.00 0.00 C ATOM 497 CG GLU A 33 7.621 -5.597 -7.648 1.00 0.00 C ATOM 498 CD GLU A 33 8.070 -5.294 -9.064 1.00 0.00 C ATOM 499 OE1 GLU A 33 7.551 -4.325 -9.656 1.00 0.00 O ATOM 500 OE2 GLU A 33 8.939 -6.027 -9.581 1.00 0.00 O ATOM 0 H GLU A 33 5.018 -5.440 -5.982 1.00 0.00 H new ATOM 0 HA GLU A 33 7.710 -4.981 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.574 -3.754 -7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.235 -3.729 -6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.393 -6.178 -7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.725 -6.217 -7.680 1.00 0.00 H new ATOM 507 N PHE A 34 6.917 -2.977 -3.651 1.00 0.00 N ATOM 508 CA PHE A 34 6.484 -1.788 -2.939 1.00 0.00 C ATOM 509 C PHE A 34 7.380 -0.601 -3.245 1.00 0.00 C ATOM 510 O PHE A 34 8.528 -0.535 -2.806 1.00 0.00 O ATOM 511 CB PHE A 34 6.447 -2.067 -1.441 1.00 0.00 C ATOM 512 CG PHE A 34 5.567 -3.234 -1.100 1.00 0.00 C ATOM 513 CD1 PHE A 34 5.963 -4.528 -1.399 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.334 -3.035 -0.505 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.144 -5.600 -1.111 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.513 -4.104 -0.213 1.00 0.00 C ATOM 517 CZ PHE A 34 3.916 -5.387 -0.516 1.00 0.00 C ATOM 0 H PHE A 34 7.690 -3.478 -3.213 1.00 0.00 H new ATOM 0 HA PHE A 34 5.480 -1.532 -3.277 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.459 -2.262 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.090 -1.180 -0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.923 -4.699 -1.863 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.011 -2.032 -0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.462 -6.604 -1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.554 -3.936 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.273 -6.224 -0.289 1.00 0.00 H new ATOM 527 N GLU A 35 6.829 0.342 -3.996 1.00 0.00 N ATOM 528 CA GLU A 35 7.549 1.548 -4.368 1.00 0.00 C ATOM 529 C GLU A 35 6.949 2.755 -3.660 1.00 0.00 C ATOM 530 O GLU A 35 5.825 3.165 -3.952 1.00 0.00 O ATOM 531 CB GLU A 35 7.502 1.752 -5.884 1.00 0.00 C ATOM 532 CG GLU A 35 8.266 2.977 -6.360 1.00 0.00 C ATOM 533 CD GLU A 35 9.677 2.646 -6.803 1.00 0.00 C ATOM 534 OE1 GLU A 35 10.541 2.436 -5.926 1.00 0.00 O ATOM 535 OE2 GLU A 35 9.918 2.597 -8.027 1.00 0.00 O ATOM 0 H GLU A 35 5.878 0.292 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 35 8.590 1.439 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.910 0.868 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.462 1.839 -6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.727 3.438 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.304 3.712 -5.556 1.00 0.00 H new ATOM 542 N LYS A 36 7.700 3.314 -2.722 1.00 0.00 N ATOM 543 CA LYS A 36 7.234 4.468 -1.970 1.00 0.00 C ATOM 544 C LYS A 36 7.465 5.755 -2.752 1.00 0.00 C ATOM 545 O LYS A 36 8.517 5.946 -3.362 1.00 0.00 O ATOM 546 CB LYS A 36 7.935 4.537 -0.614 1.00 0.00 C ATOM 547 CG LYS A 36 6.989 4.410 0.568 1.00 0.00 C ATOM 548 CD LYS A 36 7.737 4.475 1.891 1.00 0.00 C ATOM 549 CE LYS A 36 7.772 3.121 2.580 1.00 0.00 C ATOM 550 NZ LYS A 36 6.684 2.979 3.588 1.00 0.00 N ATOM 0 H LYS A 36 8.632 2.988 -2.465 1.00 0.00 H new ATOM 0 HA LYS A 36 6.162 4.357 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.680 3.743 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.471 5.483 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.247 5.208 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.447 3.467 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.756 4.822 1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.259 5.204 2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.680 2.332 1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.738 2.987 3.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.592 1.980 3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.913 3.548 4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.787 3.310 3.179 1.00 0.00 H new ATOM 564 N ILE A 37 6.473 6.630 -2.725 1.00 0.00 N ATOM 565 CA ILE A 37 6.550 7.907 -3.425 1.00 0.00 C ATOM 566 C ILE A 37 6.836 9.040 -2.447 1.00 0.00 C ATOM 567 O ILE A 37 6.894 8.825 -1.236 1.00 0.00 O ATOM 568 CB ILE A 37 5.234 8.225 -4.165 1.00 0.00 C ATOM 569 CG1 ILE A 37 4.038 7.809 -3.305 1.00 0.00 C ATOM 570 CG2 ILE A 37 5.189 7.543 -5.527 1.00 0.00 C ATOM 571 CD1 ILE A 37 3.444 6.461 -3.672 1.00 0.00 C ATOM 0 H ILE A 37 5.598 6.480 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 37 7.360 7.824 -4.150 1.00 0.00 H new ATOM 0 HB ILE A 37 5.185 9.300 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.348 7.784 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.262 8.570 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.250 7.786 -6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.023 7.891 -6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.262 6.463 -5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.602 6.243 -3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.100 6.484 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.202 5.686 -3.559 1.00 0.00 H new ATOM 583 N LYS A 38 6.999 10.246 -2.976 1.00 0.00 N ATOM 584 CA LYS A 38 7.261 11.411 -2.140 1.00 0.00 C ATOM 585 C LYS A 38 6.928 12.700 -2.884 1.00 0.00 C ATOM 586 O LYS A 38 7.820 13.420 -3.333 1.00 0.00 O ATOM 587 CB LYS A 38 8.722 11.424 -1.689 1.00 0.00 C ATOM 588 CG LYS A 38 9.716 11.388 -2.841 1.00 0.00 C ATOM 589 CD LYS A 38 10.886 10.464 -2.542 1.00 0.00 C ATOM 590 CE LYS A 38 11.510 9.925 -3.820 1.00 0.00 C ATOM 591 NZ LYS A 38 12.678 9.045 -3.539 1.00 0.00 N ATOM 0 H LYS A 38 6.955 10.443 -3.976 1.00 0.00 H new ATOM 0 HA LYS A 38 6.621 11.348 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.902 12.319 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.901 10.567 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.211 11.055 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.087 12.395 -3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.639 11.003 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.546 9.634 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.761 9.366 -4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.825 10.757 -4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.075 8.698 -4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.403 9.585 -3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.372 8.237 -2.960 1.00 0.00 H new ATOM 605 N GLU A 39 5.629 12.979 -2.999 1.00 0.00 N ATOM 606 CA GLU A 39 5.133 14.182 -3.682 1.00 0.00 C ATOM 607 C GLU A 39 3.687 13.986 -4.131 1.00 0.00 C ATOM 608 O GLU A 39 3.370 12.996 -4.790 1.00 0.00 O ATOM 609 CB GLU A 39 6.004 14.527 -4.896 1.00 0.00 C ATOM 610 CG GLU A 39 6.978 15.666 -4.641 1.00 0.00 C ATOM 611 CD GLU A 39 8.278 15.503 -5.404 1.00 0.00 C ATOM 612 OE1 GLU A 39 8.612 14.357 -5.771 1.00 0.00 O ATOM 613 OE2 GLU A 39 8.962 16.522 -5.634 1.00 0.00 O ATOM 0 H GLU A 39 4.891 12.383 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 39 5.181 15.008 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.564 13.641 -5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.358 14.793 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.511 16.609 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.192 15.724 -3.574 1.00 0.00 H new ATOM 620 N MET A 40 2.812 14.931 -3.781 1.00 0.00 N ATOM 621 CA MET A 40 1.404 14.841 -4.159 1.00 0.00 C ATOM 622 C MET A 40 1.255 14.716 -5.667 1.00 0.00 C ATOM 623 O MET A 40 0.313 14.087 -6.148 1.00 0.00 O ATOM 624 CB MET A 40 0.634 16.060 -3.651 1.00 0.00 C ATOM 625 CG MET A 40 1.120 17.376 -4.238 1.00 0.00 C ATOM 626 SD MET A 40 -0.011 18.049 -5.472 1.00 0.00 S ATOM 627 CE MET A 40 -0.572 19.533 -4.642 1.00 0.00 C ATOM 0 H MET A 40 3.053 15.761 -3.240 1.00 0.00 H new ATOM 0 HA MET A 40 0.987 13.946 -3.697 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.423 15.935 -3.886 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.716 16.104 -2.565 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.248 18.102 -3.435 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.100 17.227 -4.692 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.280 20.061 -5.280 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.059 19.264 -3.705 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.281 20.179 -4.435 1.00 0.00 H new ATOM 637 N ASP A 41 2.195 15.290 -6.414 1.00 0.00 N ATOM 638 CA ASP A 41 2.151 15.196 -7.867 1.00 0.00 C ATOM 639 C ASP A 41 1.994 13.733 -8.258 1.00 0.00 C ATOM 640 O ASP A 41 1.286 13.394 -9.206 1.00 0.00 O ATOM 641 CB ASP A 41 3.424 15.782 -8.485 1.00 0.00 C ATOM 642 CG ASP A 41 3.127 16.903 -9.463 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.430 17.863 -9.072 1.00 0.00 O ATOM 644 OD2 ASP A 41 3.593 16.821 -10.619 1.00 0.00 O ATOM 0 H ASP A 41 2.985 15.817 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 41 1.304 15.770 -8.244 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.071 16.157 -7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.973 14.992 -8.997 1.00 0.00 H new ATOM 649 N GLN A 42 2.643 12.870 -7.483 1.00 0.00 N ATOM 650 CA GLN A 42 2.568 11.435 -7.692 1.00 0.00 C ATOM 651 C GLN A 42 1.356 10.864 -6.958 1.00 0.00 C ATOM 652 O GLN A 42 0.699 9.944 -7.444 1.00 0.00 O ATOM 653 CB GLN A 42 3.846 10.753 -7.200 1.00 0.00 C ATOM 654 CG GLN A 42 5.105 11.240 -7.902 1.00 0.00 C ATOM 655 CD GLN A 42 5.840 10.126 -8.623 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.610 8.944 -8.364 1.00 0.00 O ATOM 657 NE2 GLN A 42 6.733 10.499 -9.532 1.00 0.00 N ATOM 0 H GLN A 42 3.232 13.147 -6.698 1.00 0.00 H new ATOM 0 HA GLN A 42 2.462 11.245 -8.760 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.949 10.923 -6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.752 9.677 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.839 12.018 -8.618 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.772 11.695 -7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.892 11.490 -9.715 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.260 9.795 -10.048 1.00 0.00 H new ATOM 666 N ILE A 43 1.072 11.416 -5.775 1.00 0.00 N ATOM 667 CA ILE A 43 -0.052 10.958 -4.966 1.00 0.00 C ATOM 668 C ILE A 43 -1.373 11.089 -5.711 1.00 0.00 C ATOM 669 O ILE A 43 -2.109 10.117 -5.872 1.00 0.00 O ATOM 670 CB ILE A 43 -0.147 11.711 -3.623 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.204 11.715 -2.903 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.197 11.061 -2.739 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.226 12.587 -1.666 1.00 0.00 C ATOM 0 H ILE A 43 1.606 12.179 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 43 0.136 9.904 -4.760 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.432 12.743 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.460 10.693 -2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.974 12.058 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.259 11.598 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.165 11.095 -3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.922 10.023 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.214 12.542 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.001 13.617 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.479 12.231 -0.956 1.00 0.00 H new ATOM 685 N LEU A 44 -1.660 12.292 -6.169 1.00 0.00 N ATOM 686 CA LEU A 44 -2.893 12.557 -6.902 1.00 0.00 C ATOM 687 C LEU A 44 -2.947 11.727 -8.181 1.00 0.00 C ATOM 688 O LEU A 44 -4.010 11.245 -8.574 1.00 0.00 O ATOM 689 CB LEU A 44 -3.027 14.059 -7.204 1.00 0.00 C ATOM 690 CG LEU A 44 -2.669 14.503 -8.629 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.225 15.891 -8.909 1.00 0.00 C ATOM 692 CD2 LEU A 44 -1.163 14.483 -8.832 1.00 0.00 C ATOM 0 H LEU A 44 -1.058 13.106 -6.049 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.738 12.263 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.055 14.358 -7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.393 14.606 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.120 13.802 -9.331 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.962 16.190 -9.924 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.310 15.876 -8.805 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.802 16.602 -8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.929 14.801 -9.848 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.691 15.162 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.788 13.472 -8.672 1.00 0.00 H new ATOM 704 N GLU A 45 -1.795 11.552 -8.818 1.00 0.00 N ATOM 705 CA GLU A 45 -1.712 10.764 -10.044 1.00 0.00 C ATOM 706 C GLU A 45 -2.266 9.364 -9.812 1.00 0.00 C ATOM 707 O GLU A 45 -2.736 8.706 -10.740 1.00 0.00 O ATOM 708 CB GLU A 45 -0.264 10.679 -10.521 1.00 0.00 C ATOM 709 CG GLU A 45 -0.126 10.355 -12.000 1.00 0.00 C ATOM 710 CD GLU A 45 0.261 8.910 -12.247 1.00 0.00 C ATOM 711 OE1 GLU A 45 -0.485 8.012 -11.803 1.00 0.00 O ATOM 712 OE2 GLU A 45 1.310 8.677 -12.883 1.00 0.00 O ATOM 0 H GLU A 45 -0.906 11.944 -8.507 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.309 11.256 -10.812 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.232 11.628 -10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.256 9.917 -9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.069 10.566 -12.504 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.625 11.009 -12.443 1.00 0.00 H new ATOM 719 N ALA A 46 -2.220 8.925 -8.559 1.00 0.00 N ATOM 720 CA ALA A 46 -2.729 7.617 -8.186 1.00 0.00 C ATOM 721 C ALA A 46 -4.245 7.614 -8.264 1.00 0.00 C ATOM 722 O ALA A 46 -4.862 6.611 -8.625 1.00 0.00 O ATOM 723 CB ALA A 46 -2.268 7.251 -6.782 1.00 0.00 C ATOM 0 H ALA A 46 -1.833 9.462 -7.783 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.339 6.873 -8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.657 6.268 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.179 7.231 -6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.638 7.992 -6.073 1.00 0.00 H new ATOM 729 N GLY A 47 -4.838 8.754 -7.926 1.00 0.00 N ATOM 730 CA GLY A 47 -6.278 8.874 -7.965 1.00 0.00 C ATOM 731 C GLY A 47 -6.874 9.221 -6.615 1.00 0.00 C ATOM 732 O GLY A 47 -8.016 9.673 -6.535 1.00 0.00 O ATOM 0 H GLY A 47 -4.345 9.595 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.555 9.642 -8.688 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.707 7.936 -8.316 1.00 0.00 H new ATOM 736 N LEU A 48 -6.106 9.010 -5.549 1.00 0.00 N ATOM 737 CA LEU A 48 -6.584 9.311 -4.204 1.00 0.00 C ATOM 738 C LEU A 48 -6.399 10.787 -3.867 1.00 0.00 C ATOM 739 O LEU A 48 -5.728 11.522 -4.591 1.00 0.00 O ATOM 740 CB LEU A 48 -5.886 8.428 -3.153 1.00 0.00 C ATOM 741 CG LEU A 48 -4.348 8.506 -3.056 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.706 7.243 -3.605 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.780 9.732 -3.757 1.00 0.00 C ATOM 0 H LEU A 48 -5.158 8.635 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.651 9.089 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.297 8.682 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.157 7.391 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.107 8.597 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.622 7.322 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.050 6.382 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.985 7.118 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.695 9.737 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.048 9.704 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.190 10.634 -3.302 1.00 0.00 H new ATOM 755 N THR A 49 -6.997 11.212 -2.759 1.00 0.00 N ATOM 756 CA THR A 49 -6.897 12.599 -2.317 1.00 0.00 C ATOM 757 C THR A 49 -6.352 12.679 -0.899 1.00 0.00 C ATOM 758 O THR A 49 -5.679 13.642 -0.532 1.00 0.00 O ATOM 759 CB THR A 49 -8.260 13.315 -2.377 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.169 12.723 -1.442 1.00 0.00 O ATOM 761 CG2 THR A 49 -8.848 13.246 -3.779 1.00 0.00 C ATOM 0 H THR A 49 -7.557 10.615 -2.150 1.00 0.00 H new ATOM 0 HA THR A 49 -6.210 13.100 -2.999 1.00 0.00 H new ATOM 0 HB THR A 49 -8.105 14.362 -2.117 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.050 11.750 -1.441 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.810 13.758 -3.796 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.168 13.727 -4.483 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.987 12.203 -4.064 1.00 0.00 H new ATOM 769 N ALA A 50 -6.637 11.653 -0.115 1.00 0.00 N ATOM 770 CA ALA A 50 -6.169 11.587 1.262 1.00 0.00 C ATOM 771 C ALA A 50 -4.657 11.417 1.296 1.00 0.00 C ATOM 772 O ALA A 50 -4.008 11.386 0.250 1.00 0.00 O ATOM 773 CB ALA A 50 -6.850 10.445 1.997 1.00 0.00 C ATOM 0 H ALA A 50 -7.193 10.850 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.424 12.520 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.490 10.408 3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.928 10.603 1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.621 9.503 1.498 1.00 0.00 H new ATOM 779 N LEU A 51 -4.091 11.313 2.492 1.00 0.00 N ATOM 780 CA LEU A 51 -2.651 11.156 2.623 1.00 0.00 C ATOM 781 C LEU A 51 -2.234 9.692 2.533 1.00 0.00 C ATOM 782 O LEU A 51 -1.520 9.309 1.608 1.00 0.00 O ATOM 783 CB LEU A 51 -2.145 11.787 3.924 1.00 0.00 C ATOM 784 CG LEU A 51 -1.248 13.012 3.743 1.00 0.00 C ATOM 785 CD1 LEU A 51 -2.009 14.132 3.053 1.00 0.00 C ATOM 786 CD2 LEU A 51 -0.710 13.478 5.088 1.00 0.00 C ATOM 0 H LEU A 51 -4.601 11.334 3.375 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.190 11.682 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.005 12.072 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.595 11.032 4.486 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.404 12.734 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.355 14.996 2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.347 13.793 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.872 14.412 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.073 14.351 4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.542 13.741 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.129 12.677 5.545 1.00 0.00 H new ATOM 798 N PRO A 52 -2.669 8.846 3.482 1.00 0.00 N ATOM 799 CA PRO A 52 -2.326 7.423 3.470 1.00 0.00 C ATOM 800 C PRO A 52 -2.951 6.702 2.280 1.00 0.00 C ATOM 801 O PRO A 52 -3.791 5.818 2.448 1.00 0.00 O ATOM 802 CB PRO A 52 -2.909 6.887 4.789 1.00 0.00 C ATOM 803 CG PRO A 52 -3.228 8.094 5.604 1.00 0.00 C ATOM 804 CD PRO A 52 -3.525 9.191 4.624 1.00 0.00 C ATOM 0 HA PRO A 52 -1.251 7.264 3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.802 6.288 4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.193 6.245 5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.083 7.910 6.254 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.390 8.362 6.247 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.579 9.212 4.348 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.282 10.173 5.030 1.00 0.00 H new ATOM 812 N GLY A 53 -2.542 7.086 1.072 1.00 0.00 N ATOM 813 CA GLY A 53 -3.079 6.463 -0.117 1.00 0.00 C ATOM 814 C GLY A 53 -2.106 5.490 -0.737 1.00 0.00 C ATOM 815 O GLY A 53 -0.897 5.706 -0.705 1.00 0.00 O ATOM 0 H GLY A 53 -1.850 7.816 0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.003 5.941 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.335 7.233 -0.845 1.00 0.00 H new ATOM 819 N LEU A 54 -2.631 4.418 -1.308 1.00 0.00 N ATOM 820 CA LEU A 54 -1.796 3.415 -1.946 1.00 0.00 C ATOM 821 C LEU A 54 -2.554 2.748 -3.083 1.00 0.00 C ATOM 822 O LEU A 54 -3.691 2.306 -2.914 1.00 0.00 O ATOM 823 CB LEU A 54 -1.308 2.380 -0.917 1.00 0.00 C ATOM 824 CG LEU A 54 -1.852 0.955 -1.078 1.00 0.00 C ATOM 825 CD1 LEU A 54 -1.164 0.250 -2.238 1.00 0.00 C ATOM 826 CD2 LEU A 54 -1.670 0.165 0.211 1.00 0.00 C ATOM 0 H LEU A 54 -3.631 4.221 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.917 3.904 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.220 2.338 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.571 2.737 0.079 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.918 1.016 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.562 -0.760 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.345 0.804 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.092 0.200 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.062 -0.843 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.610 0.113 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.208 0.659 1.020 1.00 0.00 H new ATOM 838 N ALA A 55 -1.920 2.689 -4.244 1.00 0.00 N ATOM 839 CA ALA A 55 -2.541 2.082 -5.412 1.00 0.00 C ATOM 840 C ALA A 55 -1.970 0.699 -5.676 1.00 0.00 C ATOM 841 O ALA A 55 -0.758 0.530 -5.807 1.00 0.00 O ATOM 842 CB ALA A 55 -2.361 2.972 -6.631 1.00 0.00 C ATOM 0 H ALA A 55 -0.980 3.052 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.607 1.975 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.831 2.504 -7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.825 3.941 -6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.298 3.111 -6.827 1.00 0.00 H new ATOM 848 N VAL A 56 -2.847 -0.290 -5.750 1.00 0.00 N ATOM 849 CA VAL A 56 -2.420 -1.657 -5.995 1.00 0.00 C ATOM 850 C VAL A 56 -2.885 -2.148 -7.350 1.00 0.00 C ATOM 851 O VAL A 56 -4.029 -1.930 -7.749 1.00 0.00 O ATOM 852 CB VAL A 56 -2.909 -2.621 -4.905 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.847 -2.746 -3.833 1.00 0.00 C ATOM 854 CG2 VAL A 56 -4.234 -2.158 -4.314 1.00 0.00 C ATOM 0 H VAL A 56 -3.855 -0.172 -5.644 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.330 -1.644 -5.976 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.082 -3.601 -5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.192 -3.430 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.928 -3.131 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.656 -1.767 -3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.555 -2.861 -3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.110 -1.169 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.987 -2.112 -5.101 1.00 0.00 H new ATOM 864 N ASP A 57 -1.977 -2.801 -8.058 1.00 0.00 N ATOM 865 CA ASP A 57 -2.274 -3.320 -9.391 1.00 0.00 C ATOM 866 C ASP A 57 -2.946 -2.242 -10.241 1.00 0.00 C ATOM 867 O ASP A 57 -3.718 -2.541 -11.151 1.00 0.00 O ATOM 868 CB ASP A 57 -3.175 -4.553 -9.294 1.00 0.00 C ATOM 869 CG ASP A 57 -2.547 -5.778 -9.927 1.00 0.00 C ATOM 870 OD1 ASP A 57 -1.830 -6.513 -9.215 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.771 -6.005 -11.135 1.00 0.00 O ATOM 0 H ASP A 57 -1.027 -2.986 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.337 -3.609 -9.867 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.392 -4.760 -8.246 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.127 -4.343 -9.781 1.00 0.00 H new ATOM 876 N GLY A 58 -2.649 -0.983 -9.922 1.00 0.00 N ATOM 877 CA GLY A 58 -3.234 0.130 -10.647 1.00 0.00 C ATOM 878 C GLY A 58 -4.670 0.389 -10.243 1.00 0.00 C ATOM 879 O GLY A 58 -5.510 0.707 -11.085 1.00 0.00 O ATOM 0 H GLY A 58 -2.012 -0.716 -9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.642 1.028 -10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.191 -0.074 -11.717 1.00 0.00 H new ATOM 883 N GLU A 59 -4.955 0.252 -8.953 1.00 0.00 N ATOM 884 CA GLU A 59 -6.302 0.473 -8.446 1.00 0.00 C ATOM 885 C GLU A 59 -6.278 0.862 -6.971 1.00 0.00 C ATOM 886 O GLU A 59 -6.161 0.005 -6.094 1.00 0.00 O ATOM 887 CB GLU A 59 -7.156 -0.782 -8.643 1.00 0.00 C ATOM 888 CG GLU A 59 -8.504 -0.504 -9.290 1.00 0.00 C ATOM 889 CD GLU A 59 -9.379 -1.739 -9.368 1.00 0.00 C ATOM 890 OE1 GLU A 59 -8.833 -2.860 -9.291 1.00 0.00 O ATOM 891 OE2 GLU A 59 -10.610 -1.586 -9.505 1.00 0.00 O ATOM 0 H GLU A 59 -4.273 -0.010 -8.242 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.742 1.296 -9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.606 -1.493 -9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.318 -1.257 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.023 0.269 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.347 -0.111 -10.294 1.00 0.00 H new ATOM 898 N LEU A 60 -6.393 2.162 -6.708 1.00 0.00 N ATOM 899 CA LEU A 60 -6.392 2.680 -5.338 1.00 0.00 C ATOM 900 C LEU A 60 -7.267 1.823 -4.427 1.00 0.00 C ATOM 901 O LEU A 60 -8.432 1.568 -4.730 1.00 0.00 O ATOM 902 CB LEU A 60 -6.888 4.132 -5.310 1.00 0.00 C ATOM 903 CG LEU A 60 -6.240 5.083 -6.328 1.00 0.00 C ATOM 904 CD1 LEU A 60 -4.800 4.679 -6.618 1.00 0.00 C ATOM 905 CD2 LEU A 60 -7.057 5.128 -7.612 1.00 0.00 C ATOM 0 H LEU A 60 -6.488 2.879 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.366 2.644 -4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.965 4.131 -5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.721 4.533 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.225 6.083 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.367 5.370 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.221 4.710 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.781 3.668 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.583 5.807 -8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.110 4.129 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.064 5.481 -7.390 1.00 0.00 H new ATOM 917 N LYS A 61 -6.694 1.371 -3.316 1.00 0.00 N ATOM 918 CA LYS A 61 -7.421 0.531 -2.373 1.00 0.00 C ATOM 919 C LYS A 61 -7.551 1.193 -1.003 1.00 0.00 C ATOM 920 O LYS A 61 -8.387 0.790 -0.195 1.00 0.00 O ATOM 921 CB LYS A 61 -6.728 -0.824 -2.229 1.00 0.00 C ATOM 922 CG LYS A 61 -7.693 -1.987 -2.076 1.00 0.00 C ATOM 923 CD LYS A 61 -8.090 -2.194 -0.622 1.00 0.00 C ATOM 924 CE LYS A 61 -8.138 -3.670 -0.262 1.00 0.00 C ATOM 925 NZ LYS A 61 -6.808 -4.323 -0.417 1.00 0.00 N ATOM 0 H LYS A 61 -5.731 1.572 -3.048 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.425 0.388 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.100 -0.996 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.067 -0.795 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.585 -1.803 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.232 -2.897 -2.462 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.378 -1.683 0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.066 -1.743 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.480 -3.782 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.867 -4.175 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.736 -5.125 0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.701 -4.665 -1.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.057 -3.635 -0.207 1.00 0.00 H new ATOM 939 N ILE A 62 -6.725 2.203 -0.734 1.00 0.00 N ATOM 940 CA ILE A 62 -6.779 2.888 0.556 1.00 0.00 C ATOM 941 C ILE A 62 -6.668 4.402 0.407 1.00 0.00 C ATOM 942 O ILE A 62 -5.899 4.905 -0.412 1.00 0.00 O ATOM 943 CB ILE A 62 -5.672 2.393 1.505 1.00 0.00 C ATOM 944 CG1 ILE A 62 -4.300 2.551 0.851 1.00 0.00 C ATOM 945 CG2 ILE A 62 -5.918 0.943 1.897 1.00 0.00 C ATOM 946 CD1 ILE A 62 -3.282 3.225 1.743 1.00 0.00 C ATOM 0 H ILE A 62 -6.021 2.561 -1.380 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.753 2.650 0.984 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.692 3.000 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.927 1.568 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.408 3.130 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.127 0.608 2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.881 0.861 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.923 0.320 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.332 3.304 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.634 4.222 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.146 2.635 2.650 1.00 0.00 H new ATOM 958 N MET A 63 -7.451 5.120 1.210 1.00 0.00 N ATOM 959 CA MET A 63 -7.461 6.580 1.184 1.00 0.00 C ATOM 960 C MET A 63 -7.704 7.141 2.584 1.00 0.00 C ATOM 961 O MET A 63 -8.779 6.946 3.151 1.00 0.00 O ATOM 962 CB MET A 63 -8.559 7.067 0.235 1.00 0.00 C ATOM 963 CG MET A 63 -8.153 8.256 -0.615 1.00 0.00 C ATOM 964 SD MET A 63 -9.451 9.504 -0.724 1.00 0.00 S ATOM 965 CE MET A 63 -10.658 8.649 -1.734 1.00 0.00 C ATOM 0 H MET A 63 -8.091 4.710 1.891 1.00 0.00 H new ATOM 0 HA MET A 63 -6.491 6.931 0.833 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.849 6.246 -0.421 1.00 0.00 H new ATOM 0 HB3 MET A 63 -9.439 7.334 0.820 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.254 8.708 -0.196 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.899 7.912 -1.618 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.523 9.293 -1.891 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.214 8.397 -2.697 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.973 7.736 -1.230 1.00 0.00 H new ATOM 975 N GLY A 64 -6.713 7.837 3.148 1.00 0.00 N ATOM 976 CA GLY A 64 -6.891 8.394 4.481 1.00 0.00 C ATOM 977 C GLY A 64 -6.484 7.433 5.580 1.00 0.00 C ATOM 978 O GLY A 64 -6.327 7.830 6.735 1.00 0.00 O ATOM 0 H GLY A 64 -5.808 8.022 2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.304 9.308 4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.936 8.672 4.617 1.00 0.00 H new ATOM 982 N ARG A 65 -6.316 6.169 5.220 1.00 0.00 N ATOM 983 CA ARG A 65 -5.927 5.139 6.175 1.00 0.00 C ATOM 984 C ARG A 65 -5.773 3.797 5.473 1.00 0.00 C ATOM 985 O ARG A 65 -6.745 3.241 4.962 1.00 0.00 O ATOM 986 CB ARG A 65 -6.970 5.027 7.290 1.00 0.00 C ATOM 987 CG ARG A 65 -6.464 4.298 8.524 1.00 0.00 C ATOM 988 CD ARG A 65 -7.435 4.431 9.685 1.00 0.00 C ATOM 989 NE ARG A 65 -8.289 3.255 9.823 1.00 0.00 N ATOM 990 CZ ARG A 65 -9.414 3.235 10.536 1.00 0.00 C ATOM 991 NH1 ARG A 65 -9.820 4.324 11.180 1.00 0.00 N ATOM 992 NH2 ARG A 65 -10.134 2.123 10.609 1.00 0.00 N ATOM 0 H ARG A 65 -6.444 5.829 4.267 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.969 5.419 6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.293 6.028 7.576 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.847 4.507 6.905 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.316 3.244 8.290 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.493 4.699 8.813 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.877 4.584 10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.056 5.315 9.538 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.008 2.399 9.346 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.269 5.181 11.130 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.682 4.303 11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.826 1.283 10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.995 2.108 11.155 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.549 3.283 5.444 1.00 0.00 N ATOM 1007 CA VAL A 66 -4.277 2.007 4.796 1.00 0.00 C ATOM 1008 C VAL A 66 -5.187 0.907 5.342 1.00 0.00 C ATOM 1009 O VAL A 66 -6.088 1.172 6.139 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.806 1.575 4.978 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.858 2.617 4.409 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -2.501 1.318 6.447 1.00 0.00 C ATOM 0 H VAL A 66 -3.732 3.729 5.861 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.474 2.150 3.734 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.656 0.646 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.828 2.288 4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.055 2.746 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.009 3.566 4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.460 1.015 6.555 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.675 2.229 7.019 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.150 0.526 6.820 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.942 -0.327 4.916 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.736 -1.463 5.370 1.00 0.00 C ATOM 1024 C ALA A 67 -5.009 -2.231 6.470 1.00 0.00 C ATOM 1025 O ALA A 67 -3.786 -2.371 6.438 1.00 0.00 O ATOM 1026 CB ALA A 67 -6.057 -2.384 4.203 1.00 0.00 C ATOM 0 H ALA A 67 -4.201 -0.566 4.258 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.670 -1.082 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.650 -3.227 4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.622 -1.834 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.130 -2.752 3.764 1.00 0.00 H new ATOM 1032 N SER A 68 -5.768 -2.726 7.442 1.00 0.00 N ATOM 1033 CA SER A 68 -5.192 -3.479 8.552 1.00 0.00 C ATOM 1034 C SER A 68 -4.590 -4.793 8.064 1.00 0.00 C ATOM 1035 O SER A 68 -4.894 -5.258 6.965 1.00 0.00 O ATOM 1036 CB SER A 68 -6.258 -3.757 9.614 1.00 0.00 C ATOM 1037 OG SER A 68 -6.512 -2.603 10.395 1.00 0.00 O ATOM 0 H SER A 68 -6.782 -2.620 7.484 1.00 0.00 H new ATOM 0 HA SER A 68 -4.397 -2.877 8.993 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.179 -4.084 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.929 -4.572 10.259 1.00 0.00 H new ATOM 0 HG SER A 68 -7.198 -2.806 11.065 1.00 0.00 H new ATOM 1043 N LYS A 69 -3.733 -5.387 8.890 1.00 0.00 N ATOM 1044 CA LYS A 69 -3.086 -6.649 8.543 1.00 0.00 C ATOM 1045 C LYS A 69 -4.121 -7.740 8.287 1.00 0.00 C ATOM 1046 O LYS A 69 -4.048 -8.458 7.290 1.00 0.00 O ATOM 1047 CB LYS A 69 -2.131 -7.087 9.657 1.00 0.00 C ATOM 1048 CG LYS A 69 -1.332 -5.944 10.262 1.00 0.00 C ATOM 1049 CD LYS A 69 -1.740 -5.678 11.703 1.00 0.00 C ATOM 1050 CE LYS A 69 -0.555 -5.233 12.544 1.00 0.00 C ATOM 1051 NZ LYS A 69 0.408 -6.344 12.785 1.00 0.00 N ATOM 0 H LYS A 69 -3.471 -5.015 9.803 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.515 -6.492 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.705 -7.574 10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.440 -7.831 9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.269 -6.181 10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.480 -5.042 9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.514 -4.911 11.727 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.173 -6.581 12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.043 -4.412 12.043 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.912 -4.850 13.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.011 -6.110 13.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.116 -7.221 12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.002 -6.478 11.942 1.00 0.00 H new ATOM 1065 N GLU A 70 -5.089 -7.861 9.192 1.00 0.00 N ATOM 1066 CA GLU A 70 -6.137 -8.863 9.052 1.00 0.00 C ATOM 1067 C GLU A 70 -7.027 -8.542 7.855 1.00 0.00 C ATOM 1068 O GLU A 70 -7.583 -9.440 7.224 1.00 0.00 O ATOM 1069 CB GLU A 70 -6.979 -8.934 10.328 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.159 -9.182 11.584 1.00 0.00 C ATOM 1071 CD GLU A 70 -5.479 -10.537 11.579 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -6.194 -11.561 11.628 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -4.232 -10.575 11.526 1.00 0.00 O ATOM 0 H GLU A 70 -5.168 -7.279 10.026 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.666 -9.832 8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.530 -8.001 10.442 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.717 -9.729 10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.404 -8.401 11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.807 -9.108 12.457 1.00 0.00 H new ATOM 1080 N GLU A 71 -7.154 -7.254 7.551 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.974 -6.808 6.431 1.00 0.00 C ATOM 1082 C GLU A 71 -7.290 -7.101 5.100 1.00 0.00 C ATOM 1083 O GLU A 71 -7.932 -7.534 4.144 1.00 0.00 O ATOM 1084 CB GLU A 71 -8.262 -5.311 6.548 1.00 0.00 C ATOM 1085 CG GLU A 71 -9.636 -4.913 6.034 1.00 0.00 C ATOM 1086 CD GLU A 71 -10.685 -4.899 7.128 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -10.306 -4.808 8.315 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -11.888 -4.979 6.799 1.00 0.00 O ATOM 0 H GLU A 71 -6.699 -6.500 8.066 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.915 -7.358 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.174 -5.013 7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.502 -4.759 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.577 -3.924 5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.942 -5.607 5.251 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.986 -6.857 5.040 1.00 0.00 N ATOM 1096 CA ILE A 72 -5.225 -7.094 3.820 1.00 0.00 C ATOM 1097 C ILE A 72 -5.008 -8.588 3.581 1.00 0.00 C ATOM 1098 O ILE A 72 -5.237 -9.090 2.481 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.864 -6.364 3.848 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -3.200 -6.416 2.469 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.945 -6.958 4.908 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -2.773 -5.059 1.956 1.00 0.00 C ATOM 0 H ILE A 72 -5.435 -6.496 5.819 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.815 -6.691 2.997 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.045 -5.321 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.328 -7.068 2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.893 -6.864 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.994 -6.425 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.412 -6.863 5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.771 -8.012 4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.310 -5.170 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.645 -4.410 1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.055 -4.618 2.648 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.564 -9.292 4.618 1.00 0.00 N ATOM 1115 CA LYS A 73 -4.311 -10.726 4.522 1.00 0.00 C ATOM 1116 C LYS A 73 -5.578 -11.491 4.145 1.00 0.00 C ATOM 1117 O LYS A 73 -5.531 -12.438 3.360 1.00 0.00 O ATOM 1118 CB LYS A 73 -3.760 -11.255 5.847 1.00 0.00 C ATOM 1119 CG LYS A 73 -2.735 -12.366 5.680 1.00 0.00 C ATOM 1120 CD LYS A 73 -3.214 -13.667 6.306 1.00 0.00 C ATOM 1121 CE LYS A 73 -3.961 -14.527 5.300 1.00 0.00 C ATOM 1122 NZ LYS A 73 -4.357 -15.841 5.877 1.00 0.00 N ATOM 0 H LYS A 73 -4.372 -8.892 5.536 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.573 -10.882 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.304 -10.431 6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.587 -11.623 6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.537 -12.523 4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.793 -12.065 6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.360 -14.220 6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.865 -13.447 7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.851 -13.997 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.333 -14.690 4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.864 -16.397 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.507 -16.358 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.978 -15.687 6.697 1.00 0.00 H new