USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0462 USER MOD Single : A 20 THR OG1 : rot -4:sc= 0.958 USER MOD Single : A 22 HIS : no HD1:sc= -11.1! C(o=-11!,f=-15!) USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 0.00289 (180deg=0.00233) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= 0.0057 (180deg=0.00304) USER MOD Single : A 45 MET CE :methyl -117:sc= -0.019 (180deg=-0.383) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 20:sc= 1.29 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 74:sc= 0.763 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -7.724 6.432 0.987 1.00 0.00 N ATOM 14 CA ILE A 2 -6.276 6.593 1.299 1.00 0.00 C ATOM 15 C ILE A 2 -5.499 6.835 0.004 1.00 0.00 C ATOM 16 O ILE A 2 -6.052 6.811 -1.077 1.00 0.00 O ATOM 17 CB ILE A 2 -5.756 5.324 1.977 1.00 0.00 C ATOM 18 CG1 ILE A 2 -6.239 4.098 1.198 1.00 0.00 C ATOM 19 CG2 ILE A 2 -6.285 5.256 3.410 1.00 0.00 C ATOM 20 CD1 ILE A 2 -5.234 2.957 1.366 1.00 0.00 C ATOM 0 HA ILE A 2 -6.141 7.443 1.968 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.666 5.341 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.220 3.788 1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.351 4.346 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.914 4.352 3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.944 6.130 3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -7.375 5.238 3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.578 2.084 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.262 3.269 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.145 2.703 2.422 1.00 0.00 H new ATOM 32 N ASP A 3 -4.218 7.066 0.104 1.00 0.00 N ATOM 33 CA ASP A 3 -3.407 7.309 -1.122 1.00 0.00 C ATOM 34 C ASP A 3 -2.351 6.210 -1.260 1.00 0.00 C ATOM 35 O ASP A 3 -1.702 5.835 -0.304 1.00 0.00 O ATOM 36 CB ASP A 3 -2.716 8.669 -1.015 1.00 0.00 C ATOM 37 CG ASP A 3 -1.836 8.892 -2.246 1.00 0.00 C ATOM 38 OD1 ASP A 3 -2.368 8.869 -3.343 1.00 0.00 O ATOM 39 OD2 ASP A 3 -0.643 9.084 -2.070 1.00 0.00 O ATOM 0 H ASP A 3 -3.699 7.097 0.981 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.058 7.300 -1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.460 9.462 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.111 8.711 -0.110 1.00 0.00 H new ATOM 44 N ILE A 4 -2.175 5.689 -2.443 1.00 0.00 N ATOM 45 CA ILE A 4 -1.161 4.615 -2.642 1.00 0.00 C ATOM 46 C ILE A 4 0.116 5.220 -3.227 1.00 0.00 C ATOM 47 O ILE A 4 0.425 5.038 -4.388 1.00 0.00 O ATOM 48 CB ILE A 4 -1.715 3.562 -3.604 1.00 0.00 C ATOM 49 CG1 ILE A 4 -2.944 2.898 -2.978 1.00 0.00 C ATOM 50 CG2 ILE A 4 -0.645 2.502 -3.872 1.00 0.00 C ATOM 51 CD1 ILE A 4 -3.583 1.949 -3.993 1.00 0.00 C ATOM 0 H ILE A 4 -2.690 5.961 -3.281 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.934 4.148 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.996 4.039 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.657 2.349 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.664 3.657 -2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.040 1.752 -4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.231 2.974 -4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.363 2.024 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.458 1.476 -3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.885 2.511 -4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.862 1.183 -4.279 1.00 0.00 H new ATOM 63 N LYS A 5 0.862 5.938 -2.433 1.00 0.00 N ATOM 64 CA LYS A 5 2.119 6.553 -2.945 1.00 0.00 C ATOM 65 C LYS A 5 3.321 5.766 -2.421 1.00 0.00 C ATOM 66 O LYS A 5 3.231 5.057 -1.438 1.00 0.00 O ATOM 67 CB LYS A 5 2.210 8.003 -2.466 1.00 0.00 C ATOM 68 CG LYS A 5 2.445 8.027 -0.954 1.00 0.00 C ATOM 69 CD LYS A 5 2.651 9.472 -0.493 1.00 0.00 C ATOM 70 CE LYS A 5 1.936 9.689 0.842 1.00 0.00 C ATOM 71 NZ LYS A 5 1.163 10.962 0.791 1.00 0.00 N ATOM 0 H LYS A 5 0.655 6.125 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 5 2.117 6.531 -4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.023 8.516 -2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.291 8.536 -2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.593 7.586 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.318 7.425 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.715 9.683 -0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.263 10.163 -1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.267 8.853 1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.662 9.724 1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.677 11.110 1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.812 11.755 0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.460 10.911 0.026 1.00 0.00 H new ATOM 85 N ALA A 6 4.448 5.884 -3.069 1.00 0.00 N ATOM 86 CA ALA A 6 5.654 5.142 -2.607 1.00 0.00 C ATOM 87 C ALA A 6 6.258 5.856 -1.393 1.00 0.00 C ATOM 88 O ALA A 6 6.186 7.064 -1.288 1.00 0.00 O ATOM 89 CB ALA A 6 6.686 5.092 -3.735 1.00 0.00 C ATOM 0 H ALA A 6 4.585 6.462 -3.898 1.00 0.00 H new ATOM 0 HA ALA A 6 5.372 4.127 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.569 4.549 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.257 4.585 -4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.969 6.107 -4.014 1.00 0.00 H new ATOM 95 N PRO A 7 6.838 5.081 -0.512 1.00 0.00 N ATOM 96 CA PRO A 7 7.468 5.604 0.713 1.00 0.00 C ATOM 97 C PRO A 7 8.843 6.201 0.393 1.00 0.00 C ATOM 98 O PRO A 7 9.432 5.912 -0.630 1.00 0.00 O ATOM 99 CB PRO A 7 7.604 4.367 1.604 1.00 0.00 C ATOM 100 CG PRO A 7 7.580 3.143 0.657 1.00 0.00 C ATOM 101 CD PRO A 7 6.917 3.612 -0.652 1.00 0.00 C ATOM 0 HA PRO A 7 6.893 6.401 1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.532 4.399 2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.788 4.316 2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.590 2.778 0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.020 2.320 1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.508 3.326 -1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.929 3.170 -0.778 1.00 0.00 H new ATOM 109 N THR A 8 9.356 7.030 1.260 1.00 0.00 N ATOM 110 CA THR A 8 10.691 7.642 1.004 1.00 0.00 C ATOM 111 C THR A 8 11.779 6.579 1.166 1.00 0.00 C ATOM 112 O THR A 8 12.317 6.388 2.238 1.00 0.00 O ATOM 113 CB THR A 8 10.932 8.775 2.004 1.00 0.00 C ATOM 114 OG1 THR A 8 9.824 9.666 1.983 1.00 0.00 O ATOM 115 CG2 THR A 8 12.205 9.533 1.623 1.00 0.00 C ATOM 0 H THR A 8 8.910 7.310 2.133 1.00 0.00 H new ATOM 0 HA THR A 8 10.720 8.040 -0.010 1.00 0.00 H new ATOM 0 HB THR A 8 11.046 8.359 3.005 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.976 10.392 2.624 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.375 10.340 2.336 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.054 8.849 1.639 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.094 9.951 0.622 1.00 0.00 H new ATOM 123 N PHE A 9 12.106 5.885 0.110 1.00 0.00 N ATOM 124 CA PHE A 9 13.158 4.835 0.206 1.00 0.00 C ATOM 125 C PHE A 9 14.342 5.372 1.016 1.00 0.00 C ATOM 126 O PHE A 9 14.631 6.551 0.982 1.00 0.00 O ATOM 127 CB PHE A 9 13.632 4.458 -1.200 1.00 0.00 C ATOM 128 CG PHE A 9 12.446 4.033 -2.033 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.605 3.007 -1.583 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.187 4.665 -3.256 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.505 2.612 -2.355 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.087 4.270 -4.029 1.00 0.00 C ATOM 133 CZ PHE A 9 10.246 3.244 -3.579 1.00 0.00 C ATOM 0 H PHE A 9 11.690 6.000 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 9 12.748 3.954 0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.132 5.307 -1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.360 3.649 -1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.805 2.520 -0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.835 5.456 -3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.857 1.821 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.887 4.757 -4.972 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.398 2.940 -4.175 1.00 0.00 H new ATOM 143 N PRO A 10 14.994 4.484 1.723 1.00 0.00 N ATOM 144 CA PRO A 10 16.157 4.830 2.558 1.00 0.00 C ATOM 145 C PRO A 10 17.406 4.999 1.690 1.00 0.00 C ATOM 146 O PRO A 10 17.321 5.210 0.496 1.00 0.00 O ATOM 147 CB PRO A 10 16.299 3.626 3.492 1.00 0.00 C ATOM 148 CG PRO A 10 15.599 2.440 2.785 1.00 0.00 C ATOM 149 CD PRO A 10 14.632 3.051 1.755 1.00 0.00 C ATOM 0 HA PRO A 10 16.034 5.769 3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.349 3.402 3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.839 3.828 4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.329 1.795 2.296 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.060 1.823 3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.750 2.589 0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.593 2.909 2.052 1.00 0.00 H new ATOM 157 N GLU A 11 18.567 4.908 2.280 1.00 0.00 N ATOM 158 CA GLU A 11 19.820 5.065 1.489 1.00 0.00 C ATOM 159 C GLU A 11 20.094 3.777 0.710 1.00 0.00 C ATOM 160 O GLU A 11 20.191 3.782 -0.502 1.00 0.00 O ATOM 161 CB GLU A 11 20.989 5.347 2.434 1.00 0.00 C ATOM 162 CG GLU A 11 22.262 5.580 1.619 1.00 0.00 C ATOM 163 CD GLU A 11 23.463 5.674 2.562 1.00 0.00 C ATOM 164 OE1 GLU A 11 23.512 4.902 3.505 1.00 0.00 O ATOM 165 OE2 GLU A 11 24.313 6.516 2.324 1.00 0.00 O ATOM 0 H GLU A 11 18.702 4.732 3.276 1.00 0.00 H new ATOM 0 HA GLU A 11 19.708 5.896 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.772 6.222 3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.130 4.508 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.406 4.765 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.171 6.497 1.037 1.00 0.00 H new ATOM 172 N SER A 12 20.223 2.673 1.396 1.00 0.00 N ATOM 173 CA SER A 12 20.492 1.386 0.699 1.00 0.00 C ATOM 174 C SER A 12 19.613 1.282 -0.549 1.00 0.00 C ATOM 175 O SER A 12 20.098 1.097 -1.647 1.00 0.00 O ATOM 176 CB SER A 12 20.179 0.222 1.641 1.00 0.00 C ATOM 177 OG SER A 12 19.831 -0.923 0.872 1.00 0.00 O ATOM 0 H SER A 12 20.153 2.609 2.412 1.00 0.00 H new ATOM 0 HA SER A 12 21.541 1.347 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.043 0.004 2.269 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.360 0.489 2.308 1.00 0.00 H new ATOM 0 HG SER A 12 19.631 -1.672 1.472 1.00 0.00 H new ATOM 183 N ILE A 13 18.324 1.401 -0.390 1.00 0.00 N ATOM 184 CA ILE A 13 17.415 1.309 -1.567 1.00 0.00 C ATOM 185 C ILE A 13 17.183 2.708 -2.142 1.00 0.00 C ATOM 186 O ILE A 13 16.928 3.651 -1.421 1.00 0.00 O ATOM 187 CB ILE A 13 16.078 0.708 -1.134 1.00 0.00 C ATOM 188 CG1 ILE A 13 16.308 -0.702 -0.584 1.00 0.00 C ATOM 189 CG2 ILE A 13 15.136 0.637 -2.337 1.00 0.00 C ATOM 190 CD1 ILE A 13 15.702 -0.809 0.817 1.00 0.00 C ATOM 0 H ILE A 13 17.860 1.558 0.505 1.00 0.00 H new ATOM 0 HA ILE A 13 17.869 0.674 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 13 15.633 1.333 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.854 -1.440 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.375 -0.920 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.183 0.208 -2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.972 1.640 -2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.581 0.012 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.866 -1.813 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.176 -0.081 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.632 -0.609 0.767 1.00 0.00 H new ATOM 202 N ALA A 14 17.271 2.850 -3.437 1.00 0.00 N ATOM 203 CA ALA A 14 17.055 4.187 -4.056 1.00 0.00 C ATOM 204 C ALA A 14 15.807 4.145 -4.938 1.00 0.00 C ATOM 205 O ALA A 14 15.543 5.053 -5.702 1.00 0.00 O ATOM 206 CB ALA A 14 18.270 4.555 -4.910 1.00 0.00 C ATOM 0 H ALA A 14 17.483 2.097 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 14 16.921 4.933 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.113 5.534 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.160 4.585 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.403 3.809 -5.694 1.00 0.00 H new ATOM 212 N ASP A 15 15.034 3.098 -4.840 1.00 0.00 N ATOM 213 CA ASP A 15 13.802 3.000 -5.673 1.00 0.00 C ATOM 214 C ASP A 15 13.200 1.600 -5.531 1.00 0.00 C ATOM 215 O ASP A 15 13.621 0.814 -4.705 1.00 0.00 O ATOM 216 CB ASP A 15 14.157 3.255 -7.139 1.00 0.00 C ATOM 217 CG ASP A 15 15.551 2.696 -7.433 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.732 1.499 -7.277 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.412 3.474 -7.808 1.00 0.00 O ATOM 0 H ASP A 15 15.202 2.306 -4.219 1.00 0.00 H new ATOM 0 HA ASP A 15 13.078 3.743 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.420 2.784 -7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.131 4.324 -7.350 1.00 0.00 H new ATOM 224 N GLY A 16 12.217 1.284 -6.329 1.00 0.00 N ATOM 225 CA GLY A 16 11.589 -0.065 -6.240 1.00 0.00 C ATOM 226 C GLY A 16 10.917 -0.405 -7.570 1.00 0.00 C ATOM 227 O GLY A 16 11.128 0.252 -8.570 1.00 0.00 O ATOM 0 H GLY A 16 11.822 1.901 -7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.344 -0.814 -6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.855 -0.083 -5.435 1.00 0.00 H new ATOM 231 N THR A 17 10.107 -1.429 -7.591 1.00 0.00 N ATOM 232 CA THR A 17 9.421 -1.810 -8.858 1.00 0.00 C ATOM 233 C THR A 17 8.072 -2.454 -8.534 1.00 0.00 C ATOM 234 O THR A 17 7.991 -3.403 -7.779 1.00 0.00 O ATOM 235 CB THR A 17 10.291 -2.806 -9.629 1.00 0.00 C ATOM 236 OG1 THR A 17 11.542 -2.205 -9.930 1.00 0.00 O ATOM 237 CG2 THR A 17 9.587 -3.204 -10.927 1.00 0.00 C ATOM 0 H THR A 17 9.891 -2.017 -6.786 1.00 0.00 H new ATOM 0 HA THR A 17 9.261 -0.920 -9.467 1.00 0.00 H new ATOM 0 HB THR A 17 10.453 -3.695 -9.020 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.101 -2.842 -10.422 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.208 -3.913 -11.475 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.628 -3.666 -10.694 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.423 -2.317 -11.539 1.00 0.00 H new ATOM 245 N VAL A 18 7.010 -1.947 -9.100 1.00 0.00 N ATOM 246 CA VAL A 18 5.668 -2.531 -8.824 1.00 0.00 C ATOM 247 C VAL A 18 5.750 -4.057 -8.904 1.00 0.00 C ATOM 248 O VAL A 18 6.660 -4.610 -9.491 1.00 0.00 O ATOM 249 CB VAL A 18 4.666 -2.020 -9.860 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.271 -2.555 -9.531 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.643 -0.491 -9.836 1.00 0.00 C ATOM 0 H VAL A 18 7.015 -1.154 -9.741 1.00 0.00 H new ATOM 0 HA VAL A 18 5.342 -2.236 -7.827 1.00 0.00 H new ATOM 0 HB VAL A 18 4.962 -2.365 -10.851 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.558 -2.190 -10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.286 -3.645 -9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.974 -2.212 -8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.929 -0.126 -10.574 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.348 -0.147 -8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.636 -0.108 -10.072 1.00 0.00 H new ATOM 261 N ALA A 19 4.808 -4.744 -8.317 1.00 0.00 N ATOM 262 CA ALA A 19 4.834 -6.233 -8.360 1.00 0.00 C ATOM 263 C ALA A 19 3.761 -6.735 -9.328 1.00 0.00 C ATOM 264 O ALA A 19 4.056 -7.194 -10.414 1.00 0.00 O ATOM 265 CB ALA A 19 4.560 -6.789 -6.962 1.00 0.00 C ATOM 0 H ALA A 19 4.022 -4.338 -7.810 1.00 0.00 H new ATOM 0 HA ALA A 19 5.814 -6.569 -8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.579 -7.878 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.325 -6.433 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.580 -6.453 -6.622 1.00 0.00 H new ATOM 271 N THR A 20 2.516 -6.651 -8.944 1.00 0.00 N ATOM 272 CA THR A 20 1.427 -7.124 -9.843 1.00 0.00 C ATOM 273 C THR A 20 0.101 -6.489 -9.418 1.00 0.00 C ATOM 274 O THR A 20 -0.253 -6.487 -8.256 1.00 0.00 O ATOM 275 CB THR A 20 1.314 -8.648 -9.751 1.00 0.00 C ATOM 276 OG1 THR A 20 2.477 -9.242 -10.313 1.00 0.00 O ATOM 277 CG2 THR A 20 0.076 -9.119 -10.515 1.00 0.00 C ATOM 0 H THR A 20 2.207 -6.276 -8.047 1.00 0.00 H new ATOM 0 HA THR A 20 1.655 -6.837 -10.870 1.00 0.00 H new ATOM 0 HB THR A 20 1.224 -8.943 -8.706 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.052 -8.543 -10.690 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.002 -10.204 -10.448 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.814 -8.664 -10.081 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.161 -8.825 -11.561 1.00 0.00 H new ATOM 285 N TRP A 21 -0.635 -5.949 -10.352 1.00 0.00 N ATOM 286 CA TRP A 21 -1.931 -5.316 -10.009 1.00 0.00 C ATOM 287 C TRP A 21 -3.047 -6.359 -10.089 1.00 0.00 C ATOM 288 O TRP A 21 -3.706 -6.499 -11.100 1.00 0.00 O ATOM 289 CB TRP A 21 -2.204 -4.195 -11.008 1.00 0.00 C ATOM 290 CG TRP A 21 -1.645 -2.912 -10.486 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.463 -2.365 -10.858 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.221 -2.004 -9.504 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.282 -1.181 -10.165 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.335 -0.919 -9.322 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.416 -2.018 -8.761 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.617 0.116 -8.439 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.708 -0.974 -7.865 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.808 0.093 -7.706 1.00 0.00 C ATOM 0 H TRP A 21 -0.389 -5.921 -11.341 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.894 -4.912 -8.997 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.753 -4.435 -11.971 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.277 -4.095 -11.174 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.225 -2.784 -11.577 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.533 -0.577 -10.267 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.113 -2.835 -8.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.921 0.933 -8.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.627 -0.993 -7.298 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.035 0.894 -7.019 1.00 0.00 H new ATOM 309 N HIS A 22 -3.261 -7.095 -9.032 1.00 0.00 N ATOM 310 CA HIS A 22 -4.340 -8.137 -9.055 1.00 0.00 C ATOM 311 C HIS A 22 -5.590 -7.559 -9.720 1.00 0.00 C ATOM 312 O HIS A 22 -6.035 -8.034 -10.746 1.00 0.00 O ATOM 313 CB HIS A 22 -4.694 -8.581 -7.628 1.00 0.00 C ATOM 314 CG HIS A 22 -3.474 -8.501 -6.760 1.00 0.00 C ATOM 315 ND1 HIS A 22 -3.070 -7.312 -6.181 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.531 -9.433 -6.406 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.927 -7.549 -5.526 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.551 -8.828 -5.625 1.00 0.00 N ATOM 0 H HIS A 22 -2.742 -7.025 -8.157 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.978 -8.999 -9.616 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.483 -7.946 -7.224 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.079 -9.601 -7.638 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.547 -10.475 -6.690 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.375 -6.797 -4.982 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.725 -9.265 -5.217 1.00 0.00 H new ATOM 326 N LYS A 23 -6.161 -6.536 -9.145 1.00 0.00 N ATOM 327 CA LYS A 23 -7.383 -5.930 -9.745 1.00 0.00 C ATOM 328 C LYS A 23 -7.000 -4.664 -10.516 1.00 0.00 C ATOM 329 O LYS A 23 -5.857 -4.253 -10.525 1.00 0.00 O ATOM 330 CB LYS A 23 -8.371 -5.571 -8.634 1.00 0.00 C ATOM 331 CG LYS A 23 -8.777 -6.840 -7.882 1.00 0.00 C ATOM 332 CD LYS A 23 -8.436 -6.686 -6.398 1.00 0.00 C ATOM 333 CE LYS A 23 -9.187 -7.745 -5.589 1.00 0.00 C ATOM 334 NZ LYS A 23 -8.211 -8.561 -4.812 1.00 0.00 N ATOM 0 H LYS A 23 -5.834 -6.094 -8.286 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.845 -6.644 -10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.917 -4.857 -7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.252 -5.089 -9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.845 -7.021 -8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.258 -7.704 -8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.362 -6.793 -6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.709 -5.689 -6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.896 -7.267 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.764 -8.386 -6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.716 -9.313 -4.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.520 -8.987 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.715 -7.952 -4.130 1.00 0.00 H new ATOM 348 N LYS A 24 -7.949 -4.044 -11.162 1.00 0.00 N ATOM 349 CA LYS A 24 -7.641 -2.806 -11.932 1.00 0.00 C ATOM 350 C LYS A 24 -8.434 -1.632 -11.348 1.00 0.00 C ATOM 351 O LYS A 24 -9.337 -1.827 -10.559 1.00 0.00 O ATOM 352 CB LYS A 24 -8.034 -3.007 -13.398 1.00 0.00 C ATOM 353 CG LYS A 24 -6.773 -3.223 -14.238 1.00 0.00 C ATOM 354 CD LYS A 24 -7.060 -2.848 -15.693 1.00 0.00 C ATOM 355 CE LYS A 24 -6.759 -4.044 -16.598 1.00 0.00 C ATOM 356 NZ LYS A 24 -8.025 -4.529 -17.218 1.00 0.00 N ATOM 0 H LYS A 24 -8.924 -4.341 -11.190 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.574 -2.593 -11.867 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.699 -3.865 -13.493 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.582 -2.138 -13.762 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.956 -2.616 -13.849 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.455 -4.264 -14.175 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.102 -2.548 -15.803 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.450 -1.994 -15.987 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.048 -3.757 -17.373 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.295 -4.843 -16.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.821 -5.342 -17.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.689 -4.818 -16.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.450 -3.766 -17.782 1.00 0.00 H new ATOM 370 N PRO A 25 -8.070 -0.444 -11.759 1.00 0.00 N ATOM 371 CA PRO A 25 -8.727 0.792 -11.301 1.00 0.00 C ATOM 372 C PRO A 25 -10.072 0.976 -12.009 1.00 0.00 C ATOM 373 O PRO A 25 -10.130 1.268 -13.187 1.00 0.00 O ATOM 374 CB PRO A 25 -7.741 1.893 -11.703 1.00 0.00 C ATOM 375 CG PRO A 25 -6.875 1.306 -12.843 1.00 0.00 C ATOM 376 CD PRO A 25 -6.970 -0.226 -12.722 1.00 0.00 C ATOM 0 HA PRO A 25 -8.945 0.792 -10.233 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.270 2.786 -12.037 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.121 2.188 -10.856 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.236 1.641 -13.816 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.841 1.638 -12.755 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.185 -0.689 -13.685 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.035 -0.656 -12.363 1.00 0.00 H new ATOM 384 N GLY A 26 -11.155 0.808 -11.300 1.00 0.00 N ATOM 385 CA GLY A 26 -12.494 0.974 -11.931 1.00 0.00 C ATOM 386 C GLY A 26 -13.437 -0.120 -11.424 1.00 0.00 C ATOM 387 O GLY A 26 -14.629 -0.081 -11.655 1.00 0.00 O ATOM 0 H GLY A 26 -11.170 0.563 -10.310 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.900 1.957 -11.694 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.406 0.919 -13.016 1.00 0.00 H new ATOM 391 N GLU A 27 -12.912 -1.095 -10.734 1.00 0.00 N ATOM 392 CA GLU A 27 -13.777 -2.189 -10.212 1.00 0.00 C ATOM 393 C GLU A 27 -14.133 -1.907 -8.751 1.00 0.00 C ATOM 394 O GLU A 27 -13.842 -0.851 -8.224 1.00 0.00 O ATOM 395 CB GLU A 27 -13.031 -3.521 -10.307 1.00 0.00 C ATOM 396 CG GLU A 27 -12.636 -3.783 -11.762 1.00 0.00 C ATOM 397 CD GLU A 27 -13.213 -5.126 -12.214 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.411 -5.189 -12.436 1.00 0.00 O ATOM 399 OE2 GLU A 27 -12.447 -6.068 -12.330 1.00 0.00 O ATOM 0 H GLU A 27 -11.921 -1.181 -10.509 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.690 -2.242 -10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.142 -3.498 -9.676 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.662 -4.330 -9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.008 -2.982 -12.401 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.550 -3.790 -11.860 1.00 0.00 H new ATOM 406 N ALA A 28 -14.758 -2.844 -8.092 1.00 0.00 N ATOM 407 CA ALA A 28 -15.130 -2.629 -6.665 1.00 0.00 C ATOM 408 C ALA A 28 -14.215 -3.465 -5.767 1.00 0.00 C ATOM 409 O ALA A 28 -13.677 -4.472 -6.181 1.00 0.00 O ATOM 410 CB ALA A 28 -16.583 -3.054 -6.448 1.00 0.00 C ATOM 0 H ALA A 28 -15.027 -3.748 -8.480 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.018 -1.574 -6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.856 -2.897 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.235 -2.459 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.695 -4.109 -6.698 1.00 0.00 H new ATOM 416 N VAL A 29 -14.034 -3.054 -4.542 1.00 0.00 N ATOM 417 CA VAL A 29 -13.154 -3.825 -3.620 1.00 0.00 C ATOM 418 C VAL A 29 -13.786 -3.868 -2.228 1.00 0.00 C ATOM 419 O VAL A 29 -14.478 -2.955 -1.821 1.00 0.00 O ATOM 420 CB VAL A 29 -11.784 -3.148 -3.537 1.00 0.00 C ATOM 421 CG1 VAL A 29 -11.920 -1.808 -2.812 1.00 0.00 C ATOM 422 CG2 VAL A 29 -10.816 -4.049 -2.766 1.00 0.00 C ATOM 0 H VAL A 29 -14.458 -2.218 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 29 -13.035 -4.841 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.401 -2.979 -4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.944 -1.326 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.609 -1.166 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.303 -1.976 -1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.840 -3.568 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.199 -4.218 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -10.719 -5.004 -3.282 1.00 0.00 H new ATOM 432 N LYS A 30 -13.557 -4.922 -1.492 1.00 0.00 N ATOM 433 CA LYS A 30 -14.146 -5.021 -0.128 1.00 0.00 C ATOM 434 C LYS A 30 -13.026 -5.010 0.914 1.00 0.00 C ATOM 435 O LYS A 30 -12.003 -5.645 0.745 1.00 0.00 O ATOM 436 CB LYS A 30 -14.941 -6.323 -0.009 1.00 0.00 C ATOM 437 CG LYS A 30 -16.005 -6.375 -1.107 1.00 0.00 C ATOM 438 CD LYS A 30 -15.382 -6.911 -2.397 1.00 0.00 C ATOM 439 CE LYS A 30 -16.402 -7.783 -3.132 1.00 0.00 C ATOM 440 NZ LYS A 30 -16.791 -7.124 -4.411 1.00 0.00 N ATOM 0 H LYS A 30 -12.987 -5.718 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.809 -4.173 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.272 -7.179 -0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.412 -6.385 0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.832 -7.014 -0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.417 -5.380 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.069 -6.083 -3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.489 -7.492 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.978 -8.767 -3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.282 -7.936 -2.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.484 -7.717 -4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.212 -6.195 -4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.948 -7.000 -5.008 1.00 0.00 H new ATOM 454 N ARG A 31 -13.209 -4.291 1.988 1.00 0.00 N ATOM 455 CA ARG A 31 -12.158 -4.235 3.040 1.00 0.00 C ATOM 456 C ARG A 31 -11.593 -5.636 3.278 1.00 0.00 C ATOM 457 O ARG A 31 -12.277 -6.627 3.116 1.00 0.00 O ATOM 458 CB ARG A 31 -12.767 -3.702 4.339 1.00 0.00 C ATOM 459 CG ARG A 31 -11.756 -3.860 5.478 1.00 0.00 C ATOM 460 CD ARG A 31 -12.259 -3.110 6.714 1.00 0.00 C ATOM 461 NE ARG A 31 -11.409 -3.460 7.886 1.00 0.00 N ATOM 462 CZ ARG A 31 -10.553 -2.593 8.354 1.00 0.00 C ATOM 463 NH1 ARG A 31 -10.964 -1.424 8.760 1.00 0.00 N ATOM 464 NH2 ARG A 31 -9.285 -2.896 8.414 1.00 0.00 N ATOM 0 H ARG A 31 -14.044 -3.739 2.181 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.355 -3.573 2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.039 -2.653 4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.683 -4.244 4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.617 -4.916 5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.785 -3.470 5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.229 -2.035 6.538 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.298 -3.372 6.914 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.496 -4.378 8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.955 -1.187 8.712 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.295 -0.747 9.126 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.963 -3.810 8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.616 -2.219 8.780 1.00 0.00 H new ATOM 478 N ASP A 32 -10.349 -5.727 3.663 1.00 0.00 N ATOM 479 CA ASP A 32 -9.742 -7.065 3.912 1.00 0.00 C ATOM 480 C ASP A 32 -9.512 -7.777 2.578 1.00 0.00 C ATOM 481 O ASP A 32 -9.743 -8.962 2.447 1.00 0.00 O ATOM 482 CB ASP A 32 -10.686 -7.901 4.779 1.00 0.00 C ATOM 483 CG ASP A 32 -9.919 -9.078 5.383 1.00 0.00 C ATOM 484 OD1 ASP A 32 -9.500 -9.937 4.624 1.00 0.00 O ATOM 485 OD2 ASP A 32 -9.762 -9.100 6.592 1.00 0.00 O ATOM 0 H ASP A 32 -9.727 -4.933 3.816 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.790 -6.941 4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.110 -7.285 5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.520 -8.266 4.179 1.00 0.00 H new ATOM 490 N GLU A 33 -9.056 -7.064 1.584 1.00 0.00 N ATOM 491 CA GLU A 33 -8.812 -7.701 0.260 1.00 0.00 C ATOM 492 C GLU A 33 -7.544 -7.112 -0.363 1.00 0.00 C ATOM 493 O GLU A 33 -7.423 -5.914 -0.531 1.00 0.00 O ATOM 494 CB GLU A 33 -10.004 -7.434 -0.662 1.00 0.00 C ATOM 495 CG GLU A 33 -9.990 -8.438 -1.817 1.00 0.00 C ATOM 496 CD GLU A 33 -11.067 -9.499 -1.583 1.00 0.00 C ATOM 497 OE1 GLU A 33 -11.699 -9.455 -0.540 1.00 0.00 O ATOM 498 OE2 GLU A 33 -11.242 -10.338 -2.451 1.00 0.00 O ATOM 0 H GLU A 33 -8.842 -6.068 1.632 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.688 -8.776 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.936 -7.519 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.957 -6.416 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.169 -7.924 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.010 -8.909 -1.891 1.00 0.00 H new ATOM 505 N LEU A 34 -6.598 -7.945 -0.705 1.00 0.00 N ATOM 506 CA LEU A 34 -5.339 -7.437 -1.315 1.00 0.00 C ATOM 507 C LEU A 34 -5.672 -6.364 -2.354 1.00 0.00 C ATOM 508 O LEU A 34 -6.801 -6.228 -2.782 1.00 0.00 O ATOM 509 CB LEU A 34 -4.601 -8.593 -1.992 1.00 0.00 C ATOM 510 CG LEU A 34 -3.264 -8.095 -2.542 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.431 -7.502 -1.404 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.505 -9.266 -3.170 1.00 0.00 C ATOM 0 H LEU A 34 -6.645 -8.957 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.706 -7.006 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.434 -9.399 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.208 -9.002 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.445 -7.329 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.478 -7.147 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.971 -6.669 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.250 -8.267 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.551 -8.913 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.325 -10.030 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.097 -9.690 -3.981 1.00 0.00 H new ATOM 524 N ILE A 35 -4.698 -5.598 -2.765 1.00 0.00 N ATOM 525 CA ILE A 35 -4.961 -4.534 -3.775 1.00 0.00 C ATOM 526 C ILE A 35 -3.808 -4.484 -4.779 1.00 0.00 C ATOM 527 O ILE A 35 -4.017 -4.422 -5.974 1.00 0.00 O ATOM 528 CB ILE A 35 -5.084 -3.183 -3.071 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.310 -3.195 -2.154 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.240 -2.075 -4.113 1.00 0.00 C ATOM 531 CD1 ILE A 35 -7.582 -3.218 -3.004 1.00 0.00 C ATOM 0 H ILE A 35 -3.732 -5.663 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.889 -4.755 -4.302 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.187 -3.001 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.280 -4.067 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.305 -2.315 -1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.328 -1.112 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.368 -2.065 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.136 -2.257 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.455 -3.227 -2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.612 -2.332 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.586 -4.112 -3.628 1.00 0.00 H new ATOM 543 N VAL A 36 -2.594 -4.509 -4.305 1.00 0.00 N ATOM 544 CA VAL A 36 -1.431 -4.460 -5.235 1.00 0.00 C ATOM 545 C VAL A 36 -0.157 -4.842 -4.479 1.00 0.00 C ATOM 546 O VAL A 36 0.067 -4.415 -3.364 1.00 0.00 O ATOM 547 CB VAL A 36 -1.285 -3.045 -5.796 1.00 0.00 C ATOM 548 CG1 VAL A 36 -1.138 -2.050 -4.644 1.00 0.00 C ATOM 549 CG2 VAL A 36 -0.043 -2.977 -6.688 1.00 0.00 C ATOM 0 H VAL A 36 -2.356 -4.561 -3.314 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.592 -5.161 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.170 -2.794 -6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.034 -1.042 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.021 -2.098 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.254 -2.300 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.062 -1.969 -7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.841 -3.229 -6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.146 -3.685 -7.510 1.00 0.00 H new ATOM 559 N ASP A 37 0.682 -5.643 -5.079 1.00 0.00 N ATOM 560 CA ASP A 37 1.940 -6.051 -4.394 1.00 0.00 C ATOM 561 C ASP A 37 3.094 -5.173 -4.883 1.00 0.00 C ATOM 562 O ASP A 37 3.077 -4.668 -5.988 1.00 0.00 O ATOM 563 CB ASP A 37 2.244 -7.516 -4.715 1.00 0.00 C ATOM 564 CG ASP A 37 1.422 -8.421 -3.794 1.00 0.00 C ATOM 565 OD1 ASP A 37 0.469 -7.931 -3.211 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.762 -9.588 -3.687 1.00 0.00 O ATOM 0 H ASP A 37 0.550 -6.032 -6.013 1.00 0.00 H new ATOM 0 HA ASP A 37 1.822 -5.932 -3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.006 -7.728 -5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.308 -7.715 -4.584 1.00 0.00 H new ATOM 571 N ILE A 38 4.097 -4.986 -4.069 1.00 0.00 N ATOM 572 CA ILE A 38 5.250 -4.141 -4.488 1.00 0.00 C ATOM 573 C ILE A 38 6.529 -4.981 -4.475 1.00 0.00 C ATOM 574 O ILE A 38 6.623 -5.975 -3.783 1.00 0.00 O ATOM 575 CB ILE A 38 5.400 -2.967 -3.520 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.014 -2.472 -3.101 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.159 -1.831 -4.207 1.00 0.00 C ATOM 578 CD1 ILE A 38 3.247 -1.996 -4.337 1.00 0.00 C ATOM 0 H ILE A 38 4.167 -5.382 -3.132 1.00 0.00 H new ATOM 0 HA ILE A 38 5.076 -3.761 -5.495 1.00 0.00 H new ATOM 0 HB ILE A 38 5.953 -3.292 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.465 -3.272 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.109 -1.658 -2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.265 -0.995 -3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.146 -2.182 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.607 -1.505 -5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.260 -1.643 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.794 -1.183 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.140 -2.822 -5.040 1.00 0.00 H new ATOM 590 N GLU A 39 7.514 -4.589 -5.235 1.00 0.00 N ATOM 591 CA GLU A 39 8.785 -5.366 -5.266 1.00 0.00 C ATOM 592 C GLU A 39 9.933 -4.482 -4.773 1.00 0.00 C ATOM 593 O GLU A 39 10.123 -3.378 -5.241 1.00 0.00 O ATOM 594 CB GLU A 39 9.071 -5.822 -6.698 1.00 0.00 C ATOM 595 CG GLU A 39 9.087 -7.351 -6.754 1.00 0.00 C ATOM 596 CD GLU A 39 10.434 -7.866 -6.247 1.00 0.00 C ATOM 597 OE1 GLU A 39 11.396 -7.117 -6.313 1.00 0.00 O ATOM 598 OE2 GLU A 39 10.484 -9.001 -5.804 1.00 0.00 O ATOM 0 H GLU A 39 7.494 -3.765 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 39 8.693 -6.239 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.311 -5.431 -7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.030 -5.425 -7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.278 -7.756 -6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.917 -7.690 -7.776 1.00 0.00 H new ATOM 605 N THR A 40 10.702 -4.961 -3.833 1.00 0.00 N ATOM 606 CA THR A 40 11.836 -4.148 -3.312 1.00 0.00 C ATOM 607 C THR A 40 13.159 -4.769 -3.767 1.00 0.00 C ATOM 608 O THR A 40 13.202 -5.545 -4.701 1.00 0.00 O ATOM 609 CB THR A 40 11.784 -4.120 -1.783 1.00 0.00 C ATOM 610 OG1 THR A 40 10.601 -4.770 -1.339 1.00 0.00 O ATOM 611 CG2 THR A 40 11.786 -2.671 -1.296 1.00 0.00 C ATOM 0 H THR A 40 10.593 -5.880 -3.404 1.00 0.00 H new ATOM 0 HA THR A 40 11.761 -3.131 -3.696 1.00 0.00 H new ATOM 0 HB THR A 40 12.656 -4.636 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.567 -4.754 -0.360 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.749 -2.653 -0.207 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.694 -2.174 -1.636 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.916 -2.151 -1.697 1.00 0.00 H new ATOM 619 N ASP A 41 14.239 -4.430 -3.115 1.00 0.00 N ATOM 620 CA ASP A 41 15.558 -4.996 -3.508 1.00 0.00 C ATOM 621 C ASP A 41 15.411 -6.490 -3.800 1.00 0.00 C ATOM 622 O ASP A 41 15.486 -6.920 -4.935 1.00 0.00 O ATOM 623 CB ASP A 41 16.558 -4.796 -2.367 1.00 0.00 C ATOM 624 CG ASP A 41 17.872 -5.499 -2.710 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.240 -5.490 -3.873 1.00 0.00 O ATOM 626 OD2 ASP A 41 18.488 -6.036 -1.804 1.00 0.00 O ATOM 0 H ASP A 41 14.263 -3.784 -2.326 1.00 0.00 H new ATOM 0 HA ASP A 41 15.917 -4.487 -4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.734 -3.732 -2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.151 -5.196 -1.438 1.00 0.00 H new ATOM 631 N LYS A 42 15.201 -7.285 -2.787 1.00 0.00 N ATOM 632 CA LYS A 42 15.049 -8.751 -3.009 1.00 0.00 C ATOM 633 C LYS A 42 13.897 -9.280 -2.152 1.00 0.00 C ATOM 634 O LYS A 42 13.882 -10.428 -1.756 1.00 0.00 O ATOM 635 CB LYS A 42 16.345 -9.463 -2.618 1.00 0.00 C ATOM 636 CG LYS A 42 17.475 -9.013 -3.546 1.00 0.00 C ATOM 637 CD LYS A 42 17.778 -10.121 -4.557 1.00 0.00 C ATOM 638 CE LYS A 42 18.530 -9.533 -5.751 1.00 0.00 C ATOM 639 NZ LYS A 42 17.555 -8.941 -6.709 1.00 0.00 N ATOM 0 H LYS A 42 15.128 -6.983 -1.815 1.00 0.00 H new ATOM 0 HA LYS A 42 14.835 -8.939 -4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.599 -9.236 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.213 -10.543 -2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.190 -8.099 -4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.368 -8.783 -2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.375 -10.903 -4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.851 -10.586 -4.891 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.232 -8.771 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.115 -10.309 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.056 -8.314 -7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.086 -9.701 -7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.842 -8.394 -6.185 1.00 0.00 H new ATOM 653 N VAL A 43 12.932 -8.451 -1.861 1.00 0.00 N ATOM 654 CA VAL A 43 11.783 -8.907 -1.030 1.00 0.00 C ATOM 655 C VAL A 43 10.471 -8.561 -1.738 1.00 0.00 C ATOM 656 O VAL A 43 10.454 -7.833 -2.711 1.00 0.00 O ATOM 657 CB VAL A 43 11.829 -8.208 0.330 1.00 0.00 C ATOM 658 CG1 VAL A 43 10.756 -8.799 1.245 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.206 -8.413 0.962 1.00 0.00 C ATOM 0 H VAL A 43 12.890 -7.478 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 43 11.844 -9.986 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 43 11.645 -7.142 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.789 -8.301 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.774 -8.653 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.939 -9.865 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.239 -7.915 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.390 -9.479 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.972 -7.991 0.311 1.00 0.00 H new ATOM 669 N VAL A 44 9.373 -9.075 -1.257 1.00 0.00 N ATOM 670 CA VAL A 44 8.065 -8.775 -1.904 1.00 0.00 C ATOM 671 C VAL A 44 7.064 -8.314 -0.841 1.00 0.00 C ATOM 672 O VAL A 44 6.790 -9.016 0.113 1.00 0.00 O ATOM 673 CB VAL A 44 7.535 -10.034 -2.592 1.00 0.00 C ATOM 674 CG1 VAL A 44 7.412 -11.164 -1.568 1.00 0.00 C ATOM 675 CG2 VAL A 44 6.160 -9.743 -3.196 1.00 0.00 C ATOM 0 H VAL A 44 9.325 -9.689 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 44 8.198 -7.986 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 44 8.225 -10.333 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.034 -12.061 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.391 -11.372 -1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.723 -10.866 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.781 -10.639 -3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.472 -9.443 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.246 -8.939 -3.926 1.00 0.00 H new ATOM 685 N MET A 45 6.516 -7.141 -0.998 1.00 0.00 N ATOM 686 CA MET A 45 5.533 -6.637 0.003 1.00 0.00 C ATOM 687 C MET A 45 4.119 -6.757 -0.566 1.00 0.00 C ATOM 688 O MET A 45 3.927 -7.149 -1.700 1.00 0.00 O ATOM 689 CB MET A 45 5.834 -5.171 0.319 1.00 0.00 C ATOM 690 CG MET A 45 7.275 -5.040 0.817 1.00 0.00 C ATOM 691 SD MET A 45 7.437 -5.869 2.418 1.00 0.00 S ATOM 692 CE MET A 45 6.691 -4.564 3.426 1.00 0.00 C ATOM 0 H MET A 45 6.706 -6.509 -1.776 1.00 0.00 H new ATOM 0 HA MET A 45 5.608 -7.228 0.916 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.689 -4.559 -0.571 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.142 -4.802 1.076 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.962 -5.482 0.095 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.544 -3.988 0.911 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.431 -4.177 4.126 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.346 -3.757 2.779 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.845 -4.971 3.980 1.00 0.00 H new ATOM 702 N GLU A 46 3.126 -6.423 0.211 1.00 0.00 N ATOM 703 CA GLU A 46 1.724 -6.517 -0.286 1.00 0.00 C ATOM 704 C GLU A 46 0.949 -5.264 0.128 1.00 0.00 C ATOM 705 O GLU A 46 1.263 -4.628 1.115 1.00 0.00 O ATOM 706 CB GLU A 46 1.053 -7.754 0.313 1.00 0.00 C ATOM 707 CG GLU A 46 1.220 -7.740 1.834 1.00 0.00 C ATOM 708 CD GLU A 46 1.148 -9.171 2.370 1.00 0.00 C ATOM 709 OE1 GLU A 46 0.173 -9.843 2.080 1.00 0.00 O ATOM 710 OE2 GLU A 46 2.072 -9.571 3.060 1.00 0.00 O ATOM 0 H GLU A 46 3.225 -6.089 1.170 1.00 0.00 H new ATOM 0 HA GLU A 46 1.729 -6.597 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.005 -7.768 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.496 -8.659 -0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.175 -7.288 2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.440 -7.130 2.290 1.00 0.00 H new ATOM 717 N VAL A 47 -0.059 -4.905 -0.618 1.00 0.00 N ATOM 718 CA VAL A 47 -0.851 -3.693 -0.266 1.00 0.00 C ATOM 719 C VAL A 47 -2.330 -4.067 -0.149 1.00 0.00 C ATOM 720 O VAL A 47 -3.018 -4.235 -1.136 1.00 0.00 O ATOM 721 CB VAL A 47 -0.678 -2.635 -1.356 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.418 -1.359 -0.953 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.810 -2.325 -1.534 1.00 0.00 C ATOM 0 H VAL A 47 -0.368 -5.398 -1.456 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.500 -3.294 0.686 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.087 -3.011 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.294 -0.605 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.478 -1.578 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.010 -0.983 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.934 -1.571 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.218 -1.950 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.339 -3.233 -1.822 1.00 0.00 H new ATOM 733 N LEU A 48 -2.825 -4.200 1.051 1.00 0.00 N ATOM 734 CA LEU A 48 -4.260 -4.564 1.229 1.00 0.00 C ATOM 735 C LEU A 48 -5.083 -3.294 1.459 1.00 0.00 C ATOM 736 O LEU A 48 -4.600 -2.318 1.996 1.00 0.00 O ATOM 737 CB LEU A 48 -4.405 -5.491 2.437 1.00 0.00 C ATOM 738 CG LEU A 48 -5.786 -6.149 2.414 1.00 0.00 C ATOM 739 CD1 LEU A 48 -5.628 -7.670 2.408 1.00 0.00 C ATOM 740 CD2 LEU A 48 -6.572 -5.724 3.656 1.00 0.00 C ATOM 0 H LEU A 48 -2.299 -4.073 1.915 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.619 -5.074 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.627 -6.254 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.275 -4.926 3.360 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.322 -5.837 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.612 -8.138 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.067 -7.974 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.092 -7.984 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.556 -6.192 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.035 -6.037 4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.686 -4.640 3.661 1.00 0.00 H new ATOM 752 N ALA A 49 -6.325 -3.300 1.056 1.00 0.00 N ATOM 753 CA ALA A 49 -7.177 -2.095 1.252 1.00 0.00 C ATOM 754 C ALA A 49 -7.661 -2.043 2.703 1.00 0.00 C ATOM 755 O ALA A 49 -8.045 -3.043 3.274 1.00 0.00 O ATOM 756 CB ALA A 49 -8.384 -2.165 0.313 1.00 0.00 C ATOM 0 H ALA A 49 -6.785 -4.088 0.600 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.596 -1.199 1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.008 -1.283 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.039 -2.202 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.965 -3.060 0.534 1.00 0.00 H new ATOM 762 N GLU A 50 -7.645 -0.883 3.302 1.00 0.00 N ATOM 763 CA GLU A 50 -8.105 -0.769 4.714 1.00 0.00 C ATOM 764 C GLU A 50 -9.525 -0.202 4.744 1.00 0.00 C ATOM 765 O GLU A 50 -9.977 0.312 5.749 1.00 0.00 O ATOM 766 CB GLU A 50 -7.165 0.165 5.481 1.00 0.00 C ATOM 767 CG GLU A 50 -6.454 -0.619 6.585 1.00 0.00 C ATOM 768 CD GLU A 50 -5.659 0.346 7.466 1.00 0.00 C ATOM 769 OE1 GLU A 50 -6.275 1.193 8.091 1.00 0.00 O ATOM 770 OE2 GLU A 50 -4.446 0.222 7.500 1.00 0.00 O ATOM 0 H GLU A 50 -7.334 -0.011 2.875 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.099 -1.754 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.433 0.600 4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.729 0.991 5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.183 -1.161 7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.787 -1.361 6.147 1.00 0.00 H new ATOM 777 N ALA A 51 -10.233 -0.290 3.652 1.00 0.00 N ATOM 778 CA ALA A 51 -11.623 0.245 3.620 1.00 0.00 C ATOM 779 C ALA A 51 -12.256 -0.059 2.261 1.00 0.00 C ATOM 780 O ALA A 51 -11.647 0.128 1.226 1.00 0.00 O ATOM 781 CB ALA A 51 -11.593 1.758 3.842 1.00 0.00 C ATOM 0 H ALA A 51 -9.909 -0.709 2.780 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.211 -0.226 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.610 2.149 3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.143 1.975 4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.005 2.230 3.055 1.00 0.00 H new ATOM 787 N ASP A 52 -13.474 -0.529 2.255 1.00 0.00 N ATOM 788 CA ASP A 52 -14.143 -0.844 0.962 1.00 0.00 C ATOM 789 C ASP A 52 -14.292 0.440 0.141 1.00 0.00 C ATOM 790 O ASP A 52 -14.047 1.530 0.618 1.00 0.00 O ATOM 791 CB ASP A 52 -15.519 -1.475 1.246 1.00 0.00 C ATOM 792 CG ASP A 52 -16.521 -1.149 0.130 1.00 0.00 C ATOM 793 OD1 ASP A 52 -17.162 -0.116 0.221 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.626 -1.938 -0.793 1.00 0.00 O ATOM 0 H ASP A 52 -14.033 -0.708 3.089 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.544 -1.553 0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.414 -2.556 1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.900 -1.108 2.199 1.00 0.00 H new ATOM 799 N GLY A 53 -14.693 0.310 -1.091 1.00 0.00 N ATOM 800 CA GLY A 53 -14.863 1.512 -1.954 1.00 0.00 C ATOM 801 C GLY A 53 -14.519 1.156 -3.401 1.00 0.00 C ATOM 802 O GLY A 53 -14.663 0.025 -3.822 1.00 0.00 O ATOM 0 H GLY A 53 -14.911 -0.580 -1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.889 1.875 -1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.218 2.318 -1.604 1.00 0.00 H new ATOM 806 N VAL A 54 -14.066 2.110 -4.166 1.00 0.00 N ATOM 807 CA VAL A 54 -13.714 1.824 -5.586 1.00 0.00 C ATOM 808 C VAL A 54 -12.361 2.460 -5.913 1.00 0.00 C ATOM 809 O VAL A 54 -12.129 3.621 -5.641 1.00 0.00 O ATOM 810 CB VAL A 54 -14.788 2.406 -6.505 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.332 2.294 -7.961 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.093 1.629 -6.319 1.00 0.00 C ATOM 0 H VAL A 54 -13.924 3.076 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.654 0.746 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.949 3.455 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.099 2.709 -8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.402 2.847 -8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.170 1.246 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.860 2.043 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.931 0.580 -6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.420 1.709 -5.282 1.00 0.00 H new ATOM 822 N ILE A 55 -11.468 1.708 -6.497 1.00 0.00 N ATOM 823 CA ILE A 55 -10.132 2.271 -6.841 1.00 0.00 C ATOM 824 C ILE A 55 -10.312 3.564 -7.638 1.00 0.00 C ATOM 825 O ILE A 55 -11.358 3.818 -8.203 1.00 0.00 O ATOM 826 CB ILE A 55 -9.354 1.256 -7.677 1.00 0.00 C ATOM 827 CG1 ILE A 55 -8.913 0.102 -6.771 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.125 1.936 -8.288 1.00 0.00 C ATOM 829 CD1 ILE A 55 -7.803 -0.696 -7.452 1.00 0.00 C ATOM 0 H ILE A 55 -11.606 0.730 -6.750 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.580 2.486 -5.926 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.984 0.871 -8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.560 0.492 -5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.761 -0.548 -6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.568 1.213 -8.885 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.444 2.762 -8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.486 2.317 -7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.493 -1.515 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.171 -1.099 -8.395 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.951 -0.044 -7.644 1.00 0.00 H new ATOM 841 N ALA A 56 -9.300 4.387 -7.689 1.00 0.00 N ATOM 842 CA ALA A 56 -9.414 5.664 -8.448 1.00 0.00 C ATOM 843 C ALA A 56 -8.796 5.488 -9.837 1.00 0.00 C ATOM 844 O ALA A 56 -9.485 5.488 -10.838 1.00 0.00 O ATOM 845 CB ALA A 56 -8.674 6.772 -7.698 1.00 0.00 C ATOM 0 H ALA A 56 -8.399 4.230 -7.237 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.465 5.934 -8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.758 7.706 -8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.113 6.898 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.623 6.503 -7.596 1.00 0.00 H new ATOM 851 N GLU A 57 -7.502 5.336 -9.905 1.00 0.00 N ATOM 852 CA GLU A 57 -6.842 5.160 -11.230 1.00 0.00 C ATOM 853 C GLU A 57 -5.347 4.905 -11.026 1.00 0.00 C ATOM 854 O GLU A 57 -4.688 5.593 -10.271 1.00 0.00 O ATOM 855 CB GLU A 57 -7.032 6.428 -12.067 1.00 0.00 C ATOM 856 CG GLU A 57 -7.802 6.085 -13.344 1.00 0.00 C ATOM 857 CD GLU A 57 -8.373 7.366 -13.954 1.00 0.00 C ATOM 858 OE1 GLU A 57 -9.437 7.782 -13.524 1.00 0.00 O ATOM 859 OE2 GLU A 57 -7.737 7.910 -14.842 1.00 0.00 O ATOM 0 H GLU A 57 -6.874 5.326 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.289 4.311 -11.748 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.575 7.178 -11.492 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.063 6.859 -12.318 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.142 5.592 -14.058 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.608 5.386 -13.119 1.00 0.00 H new ATOM 866 N ILE A 58 -4.808 3.921 -11.691 1.00 0.00 N ATOM 867 CA ILE A 58 -3.356 3.623 -11.535 1.00 0.00 C ATOM 868 C ILE A 58 -2.571 4.315 -12.650 1.00 0.00 C ATOM 869 O ILE A 58 -2.846 4.137 -13.819 1.00 0.00 O ATOM 870 CB ILE A 58 -3.134 2.112 -11.617 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.081 1.402 -10.645 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.686 1.788 -11.242 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.014 2.085 -9.277 1.00 0.00 C ATOM 0 H ILE A 58 -5.310 3.310 -12.336 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.012 3.989 -10.568 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.333 1.772 -12.633 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.101 1.431 -11.028 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.804 0.352 -10.553 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.527 0.711 -11.300 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.010 2.292 -11.932 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.488 2.129 -10.226 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.688 1.580 -8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.995 2.033 -8.894 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.312 3.129 -9.377 1.00 0.00 H new ATOM 885 N VAL A 59 -1.594 5.106 -12.297 1.00 0.00 N ATOM 886 CA VAL A 59 -0.792 5.809 -13.338 1.00 0.00 C ATOM 887 C VAL A 59 0.398 4.935 -13.740 1.00 0.00 C ATOM 888 O VAL A 59 0.870 4.988 -14.859 1.00 0.00 O ATOM 889 CB VAL A 59 -0.283 7.138 -12.778 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.458 7.904 -13.875 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.469 7.971 -12.288 1.00 0.00 C ATOM 0 H VAL A 59 -1.317 5.295 -11.334 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.416 5.998 -14.212 1.00 0.00 H new ATOM 0 HB VAL A 59 0.396 6.946 -11.947 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.821 8.851 -13.476 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.302 7.311 -14.226 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.220 8.097 -14.706 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.108 8.919 -11.889 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.147 8.163 -13.119 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.998 7.426 -11.506 1.00 0.00 H new ATOM 901 N LYS A 60 0.887 4.131 -12.837 1.00 0.00 N ATOM 902 CA LYS A 60 2.046 3.255 -13.168 1.00 0.00 C ATOM 903 C LYS A 60 1.535 1.919 -13.713 1.00 0.00 C ATOM 904 O LYS A 60 0.384 1.567 -13.542 1.00 0.00 O ATOM 905 CB LYS A 60 2.875 3.007 -11.906 1.00 0.00 C ATOM 906 CG LYS A 60 4.254 3.647 -12.069 1.00 0.00 C ATOM 907 CD LYS A 60 4.154 5.153 -11.817 1.00 0.00 C ATOM 908 CE LYS A 60 4.553 5.911 -13.083 1.00 0.00 C ATOM 909 NZ LYS A 60 6.033 6.086 -13.113 1.00 0.00 N ATOM 0 H LYS A 60 0.534 4.043 -11.884 1.00 0.00 H new ATOM 0 HA LYS A 60 2.667 3.742 -13.920 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.368 3.426 -11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.978 1.936 -11.730 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.960 3.197 -11.370 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.636 3.461 -13.073 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.137 5.417 -11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.804 5.438 -10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.223 5.364 -13.966 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.061 6.883 -13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.304 6.602 -13.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.336 6.625 -12.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.493 5.153 -13.109 1.00 0.00 H new ATOM 923 N ASN A 61 2.380 1.172 -14.368 1.00 0.00 N ATOM 924 CA ASN A 61 1.940 -0.139 -14.923 1.00 0.00 C ATOM 925 C ASN A 61 2.731 -1.267 -14.257 1.00 0.00 C ATOM 926 O ASN A 61 3.810 -1.059 -13.737 1.00 0.00 O ATOM 927 CB ASN A 61 2.190 -0.164 -16.433 1.00 0.00 C ATOM 928 CG ASN A 61 0.988 0.440 -17.160 1.00 0.00 C ATOM 929 OD1 ASN A 61 0.077 -0.268 -17.543 1.00 0.00 O ATOM 930 ND2 ASN A 61 0.945 1.728 -17.368 1.00 0.00 N ATOM 0 H ASN A 61 3.356 1.412 -14.543 1.00 0.00 H new ATOM 0 HA ASN A 61 0.876 -0.277 -14.728 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.093 0.398 -16.672 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.354 -1.188 -16.768 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.147 2.140 -17.852 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.709 2.322 -17.047 1.00 0.00 H new ATOM 937 N GLU A 62 2.204 -2.461 -14.267 1.00 0.00 N ATOM 938 CA GLU A 62 2.925 -3.600 -13.633 1.00 0.00 C ATOM 939 C GLU A 62 4.269 -3.807 -14.336 1.00 0.00 C ATOM 940 O GLU A 62 4.353 -3.803 -15.549 1.00 0.00 O ATOM 941 CB GLU A 62 2.085 -4.873 -13.760 1.00 0.00 C ATOM 942 CG GLU A 62 0.601 -4.524 -13.630 1.00 0.00 C ATOM 943 CD GLU A 62 -0.079 -4.666 -14.992 1.00 0.00 C ATOM 944 OE1 GLU A 62 0.436 -5.406 -15.815 1.00 0.00 O ATOM 945 OE2 GLU A 62 -1.102 -4.032 -15.192 1.00 0.00 O ATOM 0 H GLU A 62 1.305 -2.697 -14.687 1.00 0.00 H new ATOM 0 HA GLU A 62 3.094 -3.380 -12.579 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.274 -5.351 -14.721 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.370 -5.587 -12.988 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.124 -5.182 -12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.487 -3.505 -13.260 1.00 0.00 H new ATOM 952 N GLY A 63 5.320 -3.988 -13.586 1.00 0.00 N ATOM 953 CA GLY A 63 6.657 -4.196 -14.212 1.00 0.00 C ATOM 954 C GLY A 63 7.391 -2.857 -14.313 1.00 0.00 C ATOM 955 O GLY A 63 8.551 -2.802 -14.674 1.00 0.00 O ATOM 0 H GLY A 63 5.312 -4.001 -12.566 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.242 -4.899 -13.619 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.541 -4.634 -15.203 1.00 0.00 H new ATOM 959 N ASP A 64 6.729 -1.779 -13.997 1.00 0.00 N ATOM 960 CA ASP A 64 7.394 -0.448 -14.077 1.00 0.00 C ATOM 961 C ASP A 64 8.138 -0.174 -12.766 1.00 0.00 C ATOM 962 O ASP A 64 8.001 -0.892 -11.796 1.00 0.00 O ATOM 963 CB ASP A 64 6.332 0.635 -14.339 1.00 0.00 C ATOM 964 CG ASP A 64 6.744 1.976 -13.720 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.454 2.717 -14.381 1.00 0.00 O ATOM 966 OD2 ASP A 64 6.341 2.238 -12.599 1.00 0.00 O ATOM 0 H ASP A 64 5.757 -1.762 -13.687 1.00 0.00 H new ATOM 0 HA ASP A 64 8.114 -0.436 -14.895 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.189 0.756 -15.413 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.375 0.318 -13.924 1.00 0.00 H new ATOM 971 N THR A 65 8.925 0.863 -12.740 1.00 0.00 N ATOM 972 CA THR A 65 9.684 1.197 -11.503 1.00 0.00 C ATOM 973 C THR A 65 8.960 2.311 -10.744 1.00 0.00 C ATOM 974 O THR A 65 8.117 2.998 -11.285 1.00 0.00 O ATOM 975 CB THR A 65 11.091 1.666 -11.882 1.00 0.00 C ATOM 976 OG1 THR A 65 11.906 1.700 -10.719 1.00 0.00 O ATOM 977 CG2 THR A 65 11.018 3.064 -12.498 1.00 0.00 C ATOM 0 H THR A 65 9.076 1.497 -13.525 1.00 0.00 H new ATOM 0 HA THR A 65 9.753 0.314 -10.868 1.00 0.00 H new ATOM 0 HB THR A 65 11.521 0.975 -12.608 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.507 1.136 -10.024 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.021 3.396 -12.767 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.393 3.036 -13.391 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.588 3.758 -11.776 1.00 0.00 H new ATOM 985 N VAL A 66 9.283 2.497 -9.493 1.00 0.00 N ATOM 986 CA VAL A 66 8.613 3.567 -8.702 1.00 0.00 C ATOM 987 C VAL A 66 9.672 4.464 -8.058 1.00 0.00 C ATOM 988 O VAL A 66 10.723 4.008 -7.655 1.00 0.00 O ATOM 989 CB VAL A 66 7.752 2.930 -7.609 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.866 1.845 -8.224 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.659 2.305 -6.547 1.00 0.00 C ATOM 0 H VAL A 66 9.982 1.954 -8.985 1.00 0.00 H new ATOM 0 HA VAL A 66 7.982 4.164 -9.360 1.00 0.00 H new ATOM 0 HB VAL A 66 7.125 3.694 -7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.253 1.391 -7.445 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.220 2.289 -8.982 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.493 1.081 -8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.047 1.851 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.286 1.541 -7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.291 3.077 -6.108 1.00 0.00 H new ATOM 1001 N LEU A 67 9.405 5.738 -7.959 1.00 0.00 N ATOM 1002 CA LEU A 67 10.396 6.662 -7.342 1.00 0.00 C ATOM 1003 C LEU A 67 9.904 7.090 -5.958 1.00 0.00 C ATOM 1004 O LEU A 67 8.764 6.870 -5.600 1.00 0.00 O ATOM 1005 CB LEU A 67 10.563 7.898 -8.229 1.00 0.00 C ATOM 1006 CG LEU A 67 12.040 8.080 -8.581 1.00 0.00 C ATOM 1007 CD1 LEU A 67 12.228 7.927 -10.091 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.498 9.475 -8.148 1.00 0.00 C ATOM 0 H LEU A 67 8.542 6.178 -8.279 1.00 0.00 H new ATOM 0 HA LEU A 67 11.355 6.152 -7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.973 7.788 -9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.190 8.782 -7.712 1.00 0.00 H new ATOM 0 HG LEU A 67 12.633 7.325 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.281 8.057 -10.342 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.901 6.934 -10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.636 8.681 -10.610 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.551 9.606 -8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.905 10.229 -8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.365 9.584 -7.072 1.00 0.00 H new ATOM 1020 N SER A 68 10.753 7.700 -5.179 1.00 0.00 N ATOM 1021 CA SER A 68 10.332 8.141 -3.819 1.00 0.00 C ATOM 1022 C SER A 68 9.297 9.261 -3.944 1.00 0.00 C ATOM 1023 O SER A 68 9.631 10.401 -4.200 1.00 0.00 O ATOM 1024 CB SER A 68 11.549 8.655 -3.050 1.00 0.00 C ATOM 1025 OG SER A 68 11.128 9.618 -2.092 1.00 0.00 O ATOM 0 H SER A 68 11.720 7.912 -5.425 1.00 0.00 H new ATOM 0 HA SER A 68 9.893 7.299 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.055 7.828 -2.553 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.267 9.100 -3.739 1.00 0.00 H new ATOM 0 HG SER A 68 11.906 9.948 -1.596 1.00 0.00 H new ATOM 1031 N GLY A 69 8.044 8.947 -3.765 1.00 0.00 N ATOM 1032 CA GLY A 69 6.990 9.995 -3.874 1.00 0.00 C ATOM 1033 C GLY A 69 6.200 9.792 -5.168 1.00 0.00 C ATOM 1034 O GLY A 69 5.453 10.652 -5.591 1.00 0.00 O ATOM 0 H GLY A 69 7.704 8.010 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.321 9.943 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.445 10.986 -3.865 1.00 0.00 H new ATOM 1038 N GLU A 70 6.358 8.662 -5.800 1.00 0.00 N ATOM 1039 CA GLU A 70 5.616 8.406 -7.066 1.00 0.00 C ATOM 1040 C GLU A 70 4.192 7.952 -6.741 1.00 0.00 C ATOM 1041 O GLU A 70 3.985 6.988 -6.029 1.00 0.00 O ATOM 1042 CB GLU A 70 6.331 7.313 -7.864 1.00 0.00 C ATOM 1043 CG GLU A 70 5.489 6.940 -9.088 1.00 0.00 C ATOM 1044 CD GLU A 70 5.504 8.097 -10.089 1.00 0.00 C ATOM 1045 OE1 GLU A 70 6.396 8.924 -9.996 1.00 0.00 O ATOM 1046 OE2 GLU A 70 4.622 8.136 -10.931 1.00 0.00 O ATOM 0 H GLU A 70 6.969 7.905 -5.494 1.00 0.00 H new ATOM 0 HA GLU A 70 5.579 9.322 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.314 7.662 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.490 6.435 -7.237 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.885 6.037 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.465 6.720 -8.785 1.00 0.00 H new ATOM 1053 N LEU A 71 3.207 8.637 -7.254 1.00 0.00 N ATOM 1054 CA LEU A 71 1.799 8.243 -6.973 1.00 0.00 C ATOM 1055 C LEU A 71 1.390 7.105 -7.910 1.00 0.00 C ATOM 1056 O LEU A 71 1.306 7.275 -9.110 1.00 0.00 O ATOM 1057 CB LEU A 71 0.879 9.444 -7.199 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.503 9.147 -6.615 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.057 10.405 -5.945 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.447 8.710 -7.736 1.00 0.00 C ATOM 0 H LEU A 71 3.317 9.453 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 71 1.715 7.910 -5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.301 10.332 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.797 9.657 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.420 8.349 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.042 10.192 -5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.385 10.717 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.139 11.204 -6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.432 8.498 -7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.529 9.508 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.054 7.812 -8.213 1.00 0.00 H new ATOM 1072 N LEU A 72 1.136 5.943 -7.373 1.00 0.00 N ATOM 1073 CA LEU A 72 0.734 4.796 -8.233 1.00 0.00 C ATOM 1074 C LEU A 72 -0.788 4.785 -8.391 1.00 0.00 C ATOM 1075 O LEU A 72 -1.322 4.192 -9.307 1.00 0.00 O ATOM 1076 CB LEU A 72 1.189 3.487 -7.584 1.00 0.00 C ATOM 1077 CG LEU A 72 2.633 3.632 -7.099 1.00 0.00 C ATOM 1078 CD1 LEU A 72 3.063 2.349 -6.385 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.549 3.878 -8.300 1.00 0.00 C ATOM 0 H LEU A 72 1.190 5.739 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 72 1.200 4.897 -9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.537 3.238 -6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.115 2.669 -8.300 1.00 0.00 H new ATOM 0 HG LEU A 72 2.703 4.472 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.092 2.452 -6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.409 2.171 -5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.995 1.508 -7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.578 3.982 -7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.479 3.037 -8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.243 4.791 -8.810 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.489 5.437 -7.505 1.00 0.00 N ATOM 1092 CA GLY A 73 -2.976 5.464 -7.606 1.00 0.00 C ATOM 1093 C GLY A 73 -3.571 5.866 -6.255 1.00 0.00 C ATOM 1094 O GLY A 73 -2.861 6.108 -5.300 1.00 0.00 O ATOM 0 H GLY A 73 -1.097 5.952 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.286 6.170 -8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.349 4.484 -7.903 1.00 0.00 H new ATOM 1098 N LYS A 74 -4.871 5.940 -6.167 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.510 6.327 -4.878 1.00 0.00 C ATOM 1100 C LYS A 74 -6.881 5.654 -4.766 1.00 0.00 C ATOM 1101 O LYS A 74 -7.515 5.349 -5.756 1.00 0.00 O ATOM 1102 CB LYS A 74 -5.683 7.846 -4.829 1.00 0.00 C ATOM 1103 CG LYS A 74 -6.730 8.274 -5.859 1.00 0.00 C ATOM 1104 CD LYS A 74 -6.687 9.794 -6.029 1.00 0.00 C ATOM 1105 CE LYS A 74 -6.969 10.467 -4.686 1.00 0.00 C ATOM 1106 NZ LYS A 74 -5.860 11.406 -4.356 1.00 0.00 N ATOM 0 H LYS A 74 -5.518 5.749 -6.932 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.878 6.007 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.992 8.155 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.732 8.338 -5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.537 7.785 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.723 7.962 -5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.710 10.101 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.425 10.109 -6.767 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.915 11.006 -4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.067 9.714 -3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.053 11.863 -3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.965 10.879 -4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.787 12.131 -5.098 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.341 5.420 -3.567 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.668 4.768 -3.394 1.00 0.00 C ATOM 1122 C LEU A 75 -9.758 5.841 -3.319 1.00 0.00 C ATOM 1123 O LEU A 75 -9.512 6.962 -2.921 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.670 3.949 -2.101 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.952 3.119 -2.024 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.840 1.916 -2.961 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.154 2.628 -0.589 1.00 0.00 C ATOM 0 H LEU A 75 -6.855 5.652 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.862 4.110 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.799 3.295 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.601 4.612 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.801 3.734 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.754 1.325 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.694 2.264 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.991 1.300 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.068 2.036 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.304 2.013 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.234 3.484 0.081 1.00 0.00 H new ATOM 1139 N THR A 76 -10.960 5.505 -3.699 1.00 0.00 N ATOM 1140 CA THR A 76 -12.063 6.506 -3.649 1.00 0.00 C ATOM 1141 C THR A 76 -12.776 6.412 -2.298 1.00 0.00 C ATOM 1142 O THR A 76 -12.540 5.507 -1.523 1.00 0.00 O ATOM 1143 CB THR A 76 -13.061 6.222 -4.774 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.352 5.937 -5.972 1.00 0.00 O ATOM 1145 CG2 THR A 76 -13.956 7.444 -4.985 1.00 0.00 C ATOM 0 H THR A 76 -11.226 4.582 -4.042 1.00 0.00 H new ATOM 0 HA THR A 76 -11.651 7.507 -3.773 1.00 0.00 H new ATOM 0 HB THR A 76 -13.679 5.365 -4.505 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.952 5.045 -5.911 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.666 7.241 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.499 7.660 -4.065 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.341 8.303 -5.254 1.00 0.00 H new