USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 768 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0739 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 141:sc= 0.103 (180deg=0) USER MOD Single : A 12 CYS SG : rot 160:sc= -9.5! USER MOD Single : A 13 SER OG : rot 46:sc= 0.0354 USER MOD Single : A 14 HIS : no HE2:sc= -8.79! C(o=-8.8!,f=-11!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0696 F(o=-1.2,f=-0.07) USER MOD Single : A 27 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= -0.142 (180deg=-0.765) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -136:sc= -0.0583 (180deg=-0.86) USER MOD Single : A 44 SER OG : rot 175:sc= -1.8! USER MOD Single : A 49 SER OG : rot -159:sc= 0.00473 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 19:sc= -0.532 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 171:sc= 0 (180deg=-0.0201) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc=-0.00456 X(o=-0.0046,f=-0.12) USER MOD Single : A 81 SER OG : rot 120:sc= -0.0702 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -9.22! C(o=-9.2!,f=-11!) USER MOD Single : A 94 LYS NZ :NH3+ -141:sc= -0.159 (180deg=-1.98!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.445 4.404 -10.915 1.00 0.00 N ATOM 2 CA GLY A 1 20.512 5.779 -11.483 1.00 0.00 C ATOM 3 C GLY A 1 20.441 6.852 -10.413 1.00 0.00 C ATOM 4 O GLY A 1 21.470 7.267 -9.879 1.00 0.00 O ATOM 0 H1 GLY A 1 20.497 3.707 -11.685 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.242 4.259 -10.262 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.549 4.284 -10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.439 5.892 -12.046 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.692 5.918 -12.188 1.00 0.00 H new ATOM 10 N PRO A 2 19.230 7.326 -10.075 1.00 0.00 N ATOM 11 CA PRO A 2 19.043 8.363 -9.056 1.00 0.00 C ATOM 12 C PRO A 2 19.735 8.015 -7.742 1.00 0.00 C ATOM 13 O PRO A 2 19.506 6.950 -7.171 1.00 0.00 O ATOM 14 CB PRO A 2 17.525 8.406 -8.865 1.00 0.00 C ATOM 15 CG PRO A 2 16.966 7.908 -10.152 1.00 0.00 C ATOM 16 CD PRO A 2 17.948 6.890 -10.662 1.00 0.00 C ATOM 0 HA PRO A 2 19.474 9.316 -9.362 1.00 0.00 H new ATOM 0 HB2 PRO A 2 17.213 7.779 -8.029 1.00 0.00 H new ATOM 0 HB3 PRO A 2 17.182 9.418 -8.650 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.983 7.462 -10.004 1.00 0.00 H new ATOM 0 HG3 PRO A 2 16.842 8.723 -10.865 1.00 0.00 H new ATOM 0 HD2 PRO A 2 17.683 5.882 -10.344 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.988 6.881 -11.751 1.00 0.00 H new ATOM 24 N MET A 3 20.584 8.923 -7.269 1.00 0.00 N ATOM 25 CA MET A 3 21.311 8.712 -6.022 1.00 0.00 C ATOM 26 C MET A 3 20.803 9.650 -4.932 1.00 0.00 C ATOM 27 O MET A 3 20.758 10.867 -5.115 1.00 0.00 O ATOM 28 CB MET A 3 22.811 8.928 -6.239 1.00 0.00 C ATOM 29 CG MET A 3 23.451 7.886 -7.140 1.00 0.00 C ATOM 30 SD MET A 3 24.669 8.592 -8.267 1.00 0.00 S ATOM 31 CE MET A 3 26.091 8.725 -7.189 1.00 0.00 C ATOM 0 H MET A 3 20.785 9.810 -7.730 1.00 0.00 H new ATOM 0 HA MET A 3 21.142 7.684 -5.700 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.969 9.916 -6.671 1.00 0.00 H new ATOM 0 HB3 MET A 3 23.315 8.919 -5.272 1.00 0.00 H new ATOM 0 HG2 MET A 3 23.930 7.125 -6.524 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.674 7.386 -7.718 1.00 0.00 H new ATOM 0 HE1 MET A 3 26.929 9.147 -7.743 1.00 0.00 H new ATOM 0 HE2 MET A 3 25.850 9.373 -6.347 1.00 0.00 H new ATOM 0 HE3 MET A 3 26.361 7.736 -6.820 1.00 0.00 H new ATOM 41 N GLY A 4 20.423 9.075 -3.795 1.00 0.00 N ATOM 42 CA GLY A 4 19.924 9.871 -2.692 1.00 0.00 C ATOM 43 C GLY A 4 18.411 9.968 -2.682 1.00 0.00 C ATOM 44 O GLY A 4 17.851 11.064 -2.627 1.00 0.00 O ATOM 0 H GLY A 4 20.452 8.071 -3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.263 9.436 -1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.348 10.873 -2.751 1.00 0.00 H new ATOM 48 N SER A 5 17.746 8.818 -2.737 1.00 0.00 N ATOM 49 CA SER A 5 16.288 8.777 -2.733 1.00 0.00 C ATOM 50 C SER A 5 15.749 8.754 -1.307 1.00 0.00 C ATOM 51 O SER A 5 16.313 8.097 -0.431 1.00 0.00 O ATOM 52 CB SER A 5 15.790 7.549 -3.499 1.00 0.00 C ATOM 53 OG SER A 5 16.743 6.501 -3.460 1.00 0.00 O ATOM 0 H SER A 5 18.194 7.903 -2.785 1.00 0.00 H new ATOM 0 HA SER A 5 15.922 9.678 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.849 7.205 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.586 7.821 -4.535 1.00 0.00 H new ATOM 0 HG SER A 5 16.400 5.728 -3.955 1.00 0.00 H new ATOM 59 N MET A 6 14.656 9.474 -1.081 1.00 0.00 N ATOM 60 CA MET A 6 14.041 9.537 0.240 1.00 0.00 C ATOM 61 C MET A 6 12.895 8.535 0.356 1.00 0.00 C ATOM 62 O MET A 6 12.334 8.101 -0.650 1.00 0.00 O ATOM 63 CB MET A 6 13.527 10.951 0.522 1.00 0.00 C ATOM 64 CG MET A 6 13.235 11.211 1.991 1.00 0.00 C ATOM 65 SD MET A 6 14.712 11.117 3.021 1.00 0.00 S ATOM 66 CE MET A 6 14.017 11.429 4.640 1.00 0.00 C ATOM 0 H MET A 6 14.177 10.022 -1.795 1.00 0.00 H new ATOM 0 HA MET A 6 14.801 9.281 0.978 1.00 0.00 H new ATOM 0 HB2 MET A 6 14.265 11.673 0.174 1.00 0.00 H new ATOM 0 HB3 MET A 6 12.618 11.120 -0.056 1.00 0.00 H new ATOM 0 HG2 MET A 6 12.784 12.198 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 6 12.503 10.486 2.346 1.00 0.00 H new ATOM 0 HE1 MET A 6 14.810 11.403 5.387 1.00 0.00 H new ATOM 0 HE2 MET A 6 13.541 12.410 4.649 1.00 0.00 H new ATOM 0 HE3 MET A 6 13.276 10.664 4.871 1.00 0.00 H new ATOM 76 N ALA A 7 12.554 8.175 1.588 1.00 0.00 N ATOM 77 CA ALA A 7 11.475 7.226 1.838 1.00 0.00 C ATOM 78 C ALA A 7 10.184 7.947 2.210 1.00 0.00 C ATOM 79 O ALA A 7 9.359 7.416 2.953 1.00 0.00 O ATOM 80 CB ALA A 7 11.873 6.252 2.936 1.00 0.00 C ATOM 0 H ALA A 7 13.010 8.526 2.430 1.00 0.00 H new ATOM 0 HA ALA A 7 11.296 6.667 0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.058 5.550 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.765 5.704 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.082 6.803 3.853 1.00 0.00 H new ATOM 86 N ASP A 8 10.012 9.159 1.689 1.00 0.00 N ATOM 87 CA ASP A 8 8.816 9.944 1.970 1.00 0.00 C ATOM 88 C ASP A 8 7.556 9.175 1.576 1.00 0.00 C ATOM 89 O ASP A 8 6.466 9.453 2.078 1.00 0.00 O ATOM 90 CB ASP A 8 8.872 11.286 1.232 1.00 0.00 C ATOM 91 CG ASP A 8 8.974 12.462 2.183 1.00 0.00 C ATOM 92 OD1 ASP A 8 8.029 12.673 2.974 1.00 0.00 O ATOM 93 OD2 ASP A 8 9.998 13.175 2.137 1.00 0.00 O ATOM 0 H ASP A 8 10.684 9.616 1.072 1.00 0.00 H new ATOM 0 HA ASP A 8 8.779 10.135 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.728 11.292 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.980 11.397 0.615 1.00 0.00 H new ATOM 98 N LYS A 9 7.711 8.211 0.672 1.00 0.00 N ATOM 99 CA LYS A 9 6.601 7.410 0.206 1.00 0.00 C ATOM 100 C LYS A 9 6.322 6.247 1.138 1.00 0.00 C ATOM 101 O LYS A 9 7.122 5.921 2.015 1.00 0.00 O ATOM 102 CB LYS A 9 6.917 6.863 -1.177 1.00 0.00 C ATOM 103 CG LYS A 9 6.982 7.918 -2.262 1.00 0.00 C ATOM 104 CD LYS A 9 8.299 8.672 -2.236 1.00 0.00 C ATOM 105 CE LYS A 9 8.187 9.971 -1.460 1.00 0.00 C ATOM 106 NZ LYS A 9 8.057 11.149 -2.362 1.00 0.00 N ATOM 0 H LYS A 9 8.607 7.970 0.249 1.00 0.00 H new ATOM 0 HA LYS A 9 5.718 8.049 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.872 6.338 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.159 6.127 -1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.852 7.446 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.158 8.621 -2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.069 8.045 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.617 8.884 -3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.323 9.924 -0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.067 10.093 -0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.983 12.016 -1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.893 11.209 -2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.204 11.046 -2.947 1.00 0.00 H new ATOM 120 N ILE A 10 5.183 5.610 0.913 1.00 0.00 N ATOM 121 CA ILE A 10 4.782 4.460 1.696 1.00 0.00 C ATOM 122 C ILE A 10 4.830 3.233 0.819 1.00 0.00 C ATOM 123 O ILE A 10 4.453 3.272 -0.353 1.00 0.00 O ATOM 124 CB ILE A 10 3.366 4.596 2.295 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.896 6.047 2.261 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.344 4.064 3.720 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.438 6.211 2.615 1.00 0.00 C ATOM 0 H ILE A 10 4.518 5.876 0.187 1.00 0.00 H new ATOM 0 HA ILE A 10 5.476 4.381 2.533 1.00 0.00 H new ATOM 0 HB ILE A 10 2.680 4.004 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.499 6.633 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.069 6.454 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.340 4.166 4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.631 3.013 3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.045 4.632 4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.170 7.267 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.827 5.652 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.264 5.833 3.623 1.00 0.00 H new ATOM 139 N LYS A 11 5.313 2.155 1.382 1.00 0.00 N ATOM 140 CA LYS A 11 5.438 0.914 0.649 1.00 0.00 C ATOM 141 C LYS A 11 4.402 -0.089 1.127 1.00 0.00 C ATOM 142 O LYS A 11 4.573 -0.738 2.158 1.00 0.00 O ATOM 143 CB LYS A 11 6.859 0.380 0.800 1.00 0.00 C ATOM 144 CG LYS A 11 7.921 1.469 0.632 1.00 0.00 C ATOM 145 CD LYS A 11 8.981 1.384 1.717 1.00 0.00 C ATOM 146 CE LYS A 11 10.229 0.671 1.222 1.00 0.00 C ATOM 147 NZ LYS A 11 11.464 1.452 1.509 1.00 0.00 N ATOM 0 H LYS A 11 5.629 2.108 2.351 1.00 0.00 H new ATOM 0 HA LYS A 11 5.250 1.090 -0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.968 -0.079 1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.028 -0.404 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.392 1.372 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.446 2.450 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.243 2.388 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.577 0.856 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.300 -0.308 1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.148 0.500 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.226 0.804 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.753 1.971 0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.277 2.127 2.278 1.00 0.00 H new ATOM 161 N CYS A 12 3.308 -0.177 0.378 1.00 0.00 N ATOM 162 CA CYS A 12 2.204 -1.063 0.716 1.00 0.00 C ATOM 163 C CYS A 12 1.796 -1.909 -0.492 1.00 0.00 C ATOM 164 O CYS A 12 2.387 -1.799 -1.563 1.00 0.00 O ATOM 165 CB CYS A 12 1.018 -0.224 1.210 1.00 0.00 C ATOM 166 SG CYS A 12 -0.077 -1.053 2.381 1.00 0.00 S ATOM 0 H CYS A 12 3.163 0.362 -0.476 1.00 0.00 H new ATOM 0 HA CYS A 12 2.521 -1.744 1.506 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.404 0.682 1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.430 0.089 0.347 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.760 -0.165 3.040 1.00 0.00 H new ATOM 172 N SER A 13 0.792 -2.757 -0.305 1.00 0.00 N ATOM 173 CA SER A 13 0.297 -3.620 -1.371 1.00 0.00 C ATOM 174 C SER A 13 -1.181 -3.334 -1.630 1.00 0.00 C ATOM 175 O SER A 13 -1.852 -2.721 -0.800 1.00 0.00 O ATOM 176 CB SER A 13 0.490 -5.092 -1.000 1.00 0.00 C ATOM 177 OG SER A 13 -0.079 -5.944 -1.980 1.00 0.00 O ATOM 0 H SER A 13 0.301 -2.866 0.582 1.00 0.00 H new ATOM 0 HA SER A 13 0.864 -3.414 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.554 -5.308 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.031 -5.289 -0.031 1.00 0.00 H new ATOM 0 HG SER A 13 0.179 -5.633 -2.873 1.00 0.00 H new ATOM 183 N HIS A 14 -1.688 -3.771 -2.781 1.00 0.00 N ATOM 184 CA HIS A 14 -3.090 -3.540 -3.122 1.00 0.00 C ATOM 185 C HIS A 14 -3.781 -4.823 -3.578 1.00 0.00 C ATOM 186 O HIS A 14 -3.206 -5.626 -4.311 1.00 0.00 O ATOM 187 CB HIS A 14 -3.202 -2.465 -4.207 1.00 0.00 C ATOM 188 CG HIS A 14 -2.662 -2.883 -5.543 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.942 -2.202 -6.708 1.00 0.00 N ATOM 190 CD2 HIS A 14 -1.853 -3.911 -5.898 1.00 0.00 C ATOM 191 CE1 HIS A 14 -2.335 -2.794 -7.720 1.00 0.00 C ATOM 192 NE2 HIS A 14 -1.666 -3.831 -7.256 1.00 0.00 N ATOM 0 H HIS A 14 -1.156 -4.281 -3.486 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.596 -3.195 -2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.250 -2.188 -4.322 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.671 -1.573 -3.875 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -3.527 -1.370 -6.778 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.434 -4.654 -5.236 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.379 -2.482 -8.753 1.00 0.00 H new ATOM 201 N ILE A 15 -5.023 -5.003 -3.133 1.00 0.00 N ATOM 202 CA ILE A 15 -5.805 -6.183 -3.489 1.00 0.00 C ATOM 203 C ILE A 15 -7.306 -5.880 -3.442 1.00 0.00 C ATOM 204 O ILE A 15 -7.843 -5.531 -2.392 1.00 0.00 O ATOM 205 CB ILE A 15 -5.493 -7.371 -2.548 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.043 -7.835 -2.724 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.448 -8.530 -2.805 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.059 -7.105 -1.836 1.00 0.00 C ATOM 0 H ILE A 15 -5.509 -4.345 -2.524 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.526 -6.458 -4.506 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.628 -7.031 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.985 -8.903 -2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.751 -7.698 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.210 -9.354 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.473 -8.203 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.346 -8.864 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.054 -7.487 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.088 -6.039 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.325 -7.263 -0.791 1.00 0.00 H new ATOM 220 N LEU A 16 -7.978 -6.021 -4.586 1.00 0.00 N ATOM 221 CA LEU A 16 -9.418 -5.768 -4.666 1.00 0.00 C ATOM 222 C LEU A 16 -10.190 -7.064 -4.860 1.00 0.00 C ATOM 223 O LEU A 16 -9.762 -7.950 -5.597 1.00 0.00 O ATOM 224 CB LEU A 16 -9.743 -4.818 -5.820 1.00 0.00 C ATOM 225 CG LEU A 16 -9.823 -3.338 -5.439 1.00 0.00 C ATOM 226 CD1 LEU A 16 -9.011 -2.495 -6.409 1.00 0.00 C ATOM 227 CD2 LEU A 16 -11.273 -2.874 -5.411 1.00 0.00 C ATOM 0 H LEU A 16 -7.550 -6.308 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.718 -5.308 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.984 -4.938 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.695 -5.116 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.403 -3.214 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.079 -1.445 -6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.968 -2.812 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.403 -2.623 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.312 -1.819 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.718 -3.011 -6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.828 -3.459 -4.678 1.00 0.00 H new ATOM 239 N VAL A 17 -11.335 -7.167 -4.199 1.00 0.00 N ATOM 240 CA VAL A 17 -12.167 -8.355 -4.307 1.00 0.00 C ATOM 241 C VAL A 17 -13.643 -7.998 -4.144 1.00 0.00 C ATOM 242 O VAL A 17 -14.010 -7.229 -3.256 1.00 0.00 O ATOM 243 CB VAL A 17 -11.750 -9.411 -3.266 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.238 -9.604 -3.291 1.00 0.00 C ATOM 245 CG2 VAL A 17 -12.220 -9.018 -1.871 1.00 0.00 C ATOM 0 H VAL A 17 -11.707 -6.443 -3.584 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.024 -8.779 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.227 -10.356 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.954 -10.353 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.930 -9.938 -4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.747 -8.659 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.913 -9.780 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.778 -8.061 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.306 -8.931 -1.864 1.00 0.00 H new ATOM 255 N LYS A 18 -14.483 -8.541 -5.023 1.00 0.00 N ATOM 256 CA LYS A 18 -15.914 -8.253 -4.984 1.00 0.00 C ATOM 257 C LYS A 18 -16.596 -8.927 -3.796 1.00 0.00 C ATOM 258 O LYS A 18 -17.501 -8.351 -3.192 1.00 0.00 O ATOM 259 CB LYS A 18 -16.580 -8.694 -6.287 1.00 0.00 C ATOM 260 CG LYS A 18 -16.616 -7.607 -7.350 1.00 0.00 C ATOM 261 CD LYS A 18 -15.728 -7.952 -8.533 1.00 0.00 C ATOM 262 CE LYS A 18 -16.538 -8.496 -9.699 1.00 0.00 C ATOM 263 NZ LYS A 18 -16.633 -9.982 -9.662 1.00 0.00 N ATOM 0 H LYS A 18 -14.199 -9.179 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.027 -7.175 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.048 -9.560 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.599 -9.016 -6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.641 -7.466 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.293 -6.661 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.183 -7.063 -8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.986 -8.690 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.540 -8.067 -9.677 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.079 -8.185 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.193 -10.314 -10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.678 -10.392 -9.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.094 -10.278 -8.778 1.00 0.00 H new ATOM 277 N LYS A 19 -16.149 -10.126 -3.444 1.00 0.00 N ATOM 278 CA LYS A 19 -16.714 -10.833 -2.314 1.00 0.00 C ATOM 279 C LYS A 19 -16.232 -10.140 -1.040 1.00 0.00 C ATOM 280 O LYS A 19 -15.273 -10.560 -0.398 1.00 0.00 O ATOM 281 CB LYS A 19 -16.319 -12.314 -2.378 1.00 0.00 C ATOM 282 CG LYS A 19 -16.161 -12.977 -1.031 1.00 0.00 C ATOM 283 CD LYS A 19 -16.058 -14.488 -1.159 1.00 0.00 C ATOM 284 CE LYS A 19 -15.739 -15.141 0.176 1.00 0.00 C ATOM 285 NZ LYS A 19 -16.931 -15.813 0.765 1.00 0.00 N ATOM 0 H LYS A 19 -15.400 -10.623 -3.926 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.804 -10.806 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.074 -12.854 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.381 -12.404 -2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.269 -12.592 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.011 -12.722 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.997 -14.886 -1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.283 -14.741 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.940 -15.871 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.368 -14.387 0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.672 -16.246 1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.685 -15.113 0.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.270 -16.551 0.115 1.00 0.00 H new ATOM 299 N GLN A 20 -16.877 -9.026 -0.730 1.00 0.00 N ATOM 300 CA GLN A 20 -16.503 -8.199 0.413 1.00 0.00 C ATOM 301 C GLN A 20 -16.273 -9.002 1.685 1.00 0.00 C ATOM 302 O GLN A 20 -15.514 -8.570 2.555 1.00 0.00 O ATOM 303 CB GLN A 20 -17.556 -7.114 0.667 1.00 0.00 C ATOM 304 CG GLN A 20 -18.141 -6.512 -0.602 1.00 0.00 C ATOM 305 CD GLN A 20 -19.563 -6.970 -0.872 1.00 0.00 C ATOM 306 OE1 GLN A 20 -19.861 -8.222 -0.536 1.00 0.00 O flip ATOM 307 NE2 GLN A 20 -20.387 -6.207 -1.378 1.00 0.00 N flip ATOM 0 H GLN A 20 -17.672 -8.668 -1.260 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.552 -7.735 0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -18.365 -7.539 1.262 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.107 -6.318 1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -18.123 -5.425 -0.524 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -17.511 -6.781 -1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.117 -5.254 -1.621 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.339 -6.528 -1.554 1.00 0.00 H new ATOM 316 N GLY A 21 -16.898 -10.159 1.806 1.00 0.00 N ATOM 317 CA GLY A 21 -16.689 -10.948 3.000 1.00 0.00 C ATOM 318 C GLY A 21 -15.271 -11.468 3.062 1.00 0.00 C ATOM 319 O GLY A 21 -14.691 -11.607 4.140 1.00 0.00 O ATOM 0 H GLY A 21 -17.533 -10.561 1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.897 -10.342 3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.388 -11.784 3.015 1.00 0.00 H new ATOM 323 N GLU A 22 -14.699 -11.719 1.891 1.00 0.00 N ATOM 324 CA GLU A 22 -13.332 -12.196 1.804 1.00 0.00 C ATOM 325 C GLU A 22 -12.358 -11.090 2.175 1.00 0.00 C ATOM 326 O GLU A 22 -11.354 -11.327 2.843 1.00 0.00 O ATOM 327 CB GLU A 22 -13.048 -12.723 0.397 1.00 0.00 C ATOM 328 CG GLU A 22 -12.844 -11.658 -0.664 1.00 0.00 C ATOM 329 CD GLU A 22 -11.572 -11.875 -1.459 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.481 -11.617 -0.913 1.00 0.00 O ATOM 331 OE2 GLU A 22 -11.668 -12.305 -2.628 1.00 0.00 O ATOM 0 H GLU A 22 -15.164 -11.599 0.991 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.199 -13.014 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.158 -13.351 0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.876 -13.363 0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.698 -11.655 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.811 -10.677 -0.190 1.00 0.00 H new ATOM 338 N ALA A 23 -12.674 -9.876 1.743 1.00 0.00 N ATOM 339 CA ALA A 23 -11.841 -8.718 2.033 1.00 0.00 C ATOM 340 C ALA A 23 -11.564 -8.625 3.530 1.00 0.00 C ATOM 341 O ALA A 23 -10.464 -8.263 3.949 1.00 0.00 O ATOM 342 CB ALA A 23 -12.511 -7.445 1.528 1.00 0.00 C ATOM 0 H ALA A 23 -13.505 -9.668 1.189 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.889 -8.833 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.877 -6.587 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.660 -7.515 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.476 -7.322 2.020 1.00 0.00 H new ATOM 348 N LEU A 24 -12.568 -8.972 4.332 1.00 0.00 N ATOM 349 CA LEU A 24 -12.431 -8.949 5.784 1.00 0.00 C ATOM 350 C LEU A 24 -11.561 -10.106 6.260 1.00 0.00 C ATOM 351 O LEU A 24 -10.893 -10.014 7.286 1.00 0.00 O ATOM 352 CB LEU A 24 -13.808 -9.012 6.451 1.00 0.00 C ATOM 353 CG LEU A 24 -13.959 -8.152 7.708 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.009 -8.627 8.798 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.716 -6.684 7.385 1.00 0.00 C ATOM 0 H LEU A 24 -13.485 -9.272 4.000 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.947 -8.014 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.561 -8.703 5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.022 -10.049 6.711 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.980 -8.256 8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.131 -8.004 9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.233 -9.663 9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.981 -8.555 8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.828 -6.089 8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.707 -6.560 6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.439 -6.351 6.640 1.00 0.00 H new ATOM 367 N ALA A 25 -11.592 -11.205 5.514 1.00 0.00 N ATOM 368 CA ALA A 25 -10.816 -12.389 5.864 1.00 0.00 C ATOM 369 C ALA A 25 -9.373 -12.276 5.378 1.00 0.00 C ATOM 370 O ALA A 25 -8.442 -12.652 6.088 1.00 0.00 O ATOM 371 CB ALA A 25 -11.472 -13.632 5.282 1.00 0.00 C ATOM 0 H ALA A 25 -12.146 -11.300 4.663 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.795 -12.469 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.886 -14.511 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.480 -13.733 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.521 -13.543 4.197 1.00 0.00 H new ATOM 377 N VAL A 26 -9.194 -11.763 4.164 1.00 0.00 N ATOM 378 CA VAL A 26 -7.860 -11.609 3.588 1.00 0.00 C ATOM 379 C VAL A 26 -6.939 -10.859 4.538 1.00 0.00 C ATOM 380 O VAL A 26 -5.761 -11.178 4.645 1.00 0.00 O ATOM 381 CB VAL A 26 -7.887 -10.882 2.224 1.00 0.00 C ATOM 382 CG1 VAL A 26 -9.062 -11.351 1.382 1.00 0.00 C ATOM 383 CG2 VAL A 26 -7.919 -9.370 2.409 1.00 0.00 C ATOM 0 H VAL A 26 -9.953 -11.447 3.561 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.478 -12.617 3.428 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.969 -11.134 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.059 -10.825 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.978 -12.423 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.993 -11.142 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.938 -8.884 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.811 -9.091 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.032 -9.052 2.956 1.00 0.00 H new ATOM 393 N GLN A 27 -7.478 -9.863 5.230 1.00 0.00 N ATOM 394 CA GLN A 27 -6.680 -9.092 6.168 1.00 0.00 C ATOM 395 C GLN A 27 -6.110 -10.020 7.237 1.00 0.00 C ATOM 396 O GLN A 27 -4.910 -10.002 7.515 1.00 0.00 O ATOM 397 CB GLN A 27 -7.510 -7.948 6.782 1.00 0.00 C ATOM 398 CG GLN A 27 -8.417 -8.349 7.936 1.00 0.00 C ATOM 399 CD GLN A 27 -8.683 -7.201 8.887 1.00 0.00 C ATOM 400 OE1 GLN A 27 -8.643 -7.368 10.107 1.00 0.00 O ATOM 401 NE2 GLN A 27 -8.958 -6.026 8.336 1.00 0.00 N ATOM 0 H GLN A 27 -8.454 -9.574 5.159 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.847 -8.630 5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.828 -7.173 7.130 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.123 -7.504 5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.364 -8.716 7.540 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.960 -9.173 8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.981 -5.932 7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.147 -5.217 8.928 1.00 0.00 H new ATOM 410 N GLU A 28 -6.977 -10.849 7.809 1.00 0.00 N ATOM 411 CA GLU A 28 -6.571 -11.812 8.824 1.00 0.00 C ATOM 412 C GLU A 28 -5.789 -12.965 8.192 1.00 0.00 C ATOM 413 O GLU A 28 -4.946 -13.592 8.835 1.00 0.00 O ATOM 414 CB GLU A 28 -7.805 -12.342 9.570 1.00 0.00 C ATOM 415 CG GLU A 28 -8.633 -13.352 8.784 1.00 0.00 C ATOM 416 CD GLU A 28 -9.170 -14.469 9.659 1.00 0.00 C ATOM 417 OE1 GLU A 28 -9.812 -14.164 10.685 1.00 0.00 O ATOM 418 OE2 GLU A 28 -8.946 -15.649 9.316 1.00 0.00 O ATOM 0 H GLU A 28 -7.972 -10.872 7.584 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.918 -11.311 9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.480 -12.804 10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.442 -11.499 9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.466 -12.839 8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.021 -13.779 7.990 1.00 0.00 H new ATOM 425 N ARG A 29 -6.105 -13.244 6.931 1.00 0.00 N ATOM 426 CA ARG A 29 -5.475 -14.328 6.185 1.00 0.00 C ATOM 427 C ARG A 29 -4.092 -13.940 5.671 1.00 0.00 C ATOM 428 O ARG A 29 -3.205 -14.786 5.551 1.00 0.00 O ATOM 429 CB ARG A 29 -6.374 -14.713 5.008 1.00 0.00 C ATOM 430 CG ARG A 29 -6.231 -16.156 4.558 1.00 0.00 C ATOM 431 CD ARG A 29 -6.688 -17.129 5.635 1.00 0.00 C ATOM 432 NE ARG A 29 -6.449 -18.519 5.251 1.00 0.00 N ATOM 433 CZ ARG A 29 -7.235 -19.205 4.425 1.00 0.00 C ATOM 434 NH1 ARG A 29 -8.309 -18.639 3.894 1.00 0.00 N ATOM 435 NH2 ARG A 29 -6.944 -20.467 4.130 1.00 0.00 N ATOM 0 H ARG A 29 -6.804 -12.726 6.398 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.347 -15.174 6.860 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.413 -14.532 5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.150 -14.058 4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.816 -16.314 3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.190 -16.357 4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.162 -16.914 6.565 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.751 -16.983 5.828 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.632 -18.991 5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.538 -17.671 4.118 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.906 -19.172 3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.119 -20.909 4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.545 -20.994 3.497 1.00 0.00 H new ATOM 449 N LEU A 30 -3.916 -12.665 5.353 1.00 0.00 N ATOM 450 CA LEU A 30 -2.649 -12.168 4.831 1.00 0.00 C ATOM 451 C LEU A 30 -1.487 -12.551 5.746 1.00 0.00 C ATOM 452 O LEU A 30 -0.558 -13.240 5.327 1.00 0.00 O ATOM 453 CB LEU A 30 -2.722 -10.649 4.654 1.00 0.00 C ATOM 454 CG LEU A 30 -1.714 -10.057 3.670 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.294 -10.383 4.103 1.00 0.00 C ATOM 456 CD2 LEU A 30 -1.981 -10.570 2.259 1.00 0.00 C ATOM 0 H LEU A 30 -4.639 -11.952 5.448 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.469 -12.630 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.726 -10.386 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.575 -10.179 5.626 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.829 -8.973 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.411 -9.954 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.110 -9.965 5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.163 -11.465 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.254 -10.138 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.894 -11.656 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.986 -10.283 1.952 1.00 0.00 H new ATOM 468 N LYS A 31 -1.548 -12.109 6.998 1.00 0.00 N ATOM 469 CA LYS A 31 -0.501 -12.420 7.968 1.00 0.00 C ATOM 470 C LYS A 31 -0.561 -13.884 8.402 1.00 0.00 C ATOM 471 O LYS A 31 0.335 -14.371 9.090 1.00 0.00 O ATOM 472 CB LYS A 31 -0.623 -11.517 9.193 1.00 0.00 C ATOM 473 CG LYS A 31 -2.003 -11.539 9.831 1.00 0.00 C ATOM 474 CD LYS A 31 -2.711 -10.200 9.681 1.00 0.00 C ATOM 475 CE LYS A 31 -2.858 -9.488 11.017 1.00 0.00 C ATOM 476 NZ LYS A 31 -4.278 -9.423 11.460 1.00 0.00 N ATOM 0 H LYS A 31 -2.308 -11.536 7.365 1.00 0.00 H new ATOM 0 HA LYS A 31 0.459 -12.244 7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.116 -11.823 9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.381 -10.494 8.905 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.605 -12.323 9.371 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.912 -11.786 10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.151 -9.568 8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.696 -10.357 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.266 -10.006 11.771 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.457 -8.478 10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.334 -8.930 12.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.839 -8.906 10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.654 -10.387 11.563 1.00 0.00 H new ATOM 490 N ALA A 32 -1.627 -14.578 8.010 1.00 0.00 N ATOM 491 CA ALA A 32 -1.802 -15.977 8.376 1.00 0.00 C ATOM 492 C ALA A 32 -0.645 -16.831 7.871 1.00 0.00 C ATOM 493 O ALA A 32 -0.356 -17.893 8.423 1.00 0.00 O ATOM 494 CB ALA A 32 -3.122 -16.501 7.834 1.00 0.00 C ATOM 0 H ALA A 32 -2.380 -14.193 7.440 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.815 -16.041 9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.241 -17.548 8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.943 -15.918 8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.130 -16.413 6.748 1.00 0.00 H new ATOM 500 N GLY A 33 0.010 -16.363 6.817 1.00 0.00 N ATOM 501 CA GLY A 33 1.119 -17.094 6.251 1.00 0.00 C ATOM 502 C GLY A 33 1.303 -16.819 4.771 1.00 0.00 C ATOM 503 O GLY A 33 2.360 -17.102 4.209 1.00 0.00 O ATOM 0 H GLY A 33 -0.210 -15.486 6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.033 -16.829 6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.960 -18.162 6.402 1.00 0.00 H new ATOM 507 N GLU A 34 0.273 -16.266 4.136 1.00 0.00 N ATOM 508 CA GLU A 34 0.337 -15.954 2.713 1.00 0.00 C ATOM 509 C GLU A 34 0.939 -14.574 2.489 1.00 0.00 C ATOM 510 O GLU A 34 0.885 -13.711 3.365 1.00 0.00 O ATOM 511 CB GLU A 34 -1.055 -16.028 2.084 1.00 0.00 C ATOM 512 CG GLU A 34 -2.094 -15.187 2.808 1.00 0.00 C ATOM 513 CD GLU A 34 -3.331 -14.936 1.967 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.277 -15.177 0.742 1.00 0.00 O ATOM 515 OE2 GLU A 34 -4.354 -14.499 2.534 1.00 0.00 O ATOM 0 H GLU A 34 -0.612 -16.026 4.583 1.00 0.00 H new ATOM 0 HA GLU A 34 0.978 -16.694 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.994 -15.701 1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.385 -17.067 2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.383 -15.689 3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.651 -14.232 3.090 1.00 0.00 H new ATOM 522 N LYS A 35 1.519 -14.372 1.312 1.00 0.00 N ATOM 523 CA LYS A 35 2.137 -13.097 0.975 1.00 0.00 C ATOM 524 C LYS A 35 1.224 -12.264 0.086 1.00 0.00 C ATOM 525 O LYS A 35 0.486 -12.796 -0.746 1.00 0.00 O ATOM 526 CB LYS A 35 3.479 -13.324 0.276 1.00 0.00 C ATOM 527 CG LYS A 35 4.522 -12.269 0.604 1.00 0.00 C ATOM 528 CD LYS A 35 5.892 -12.891 0.828 1.00 0.00 C ATOM 529 CE LYS A 35 5.947 -13.661 2.138 1.00 0.00 C ATOM 530 NZ LYS A 35 5.461 -12.843 3.284 1.00 0.00 N ATOM 0 H LYS A 35 1.574 -15.075 0.575 1.00 0.00 H new ATOM 0 HA LYS A 35 2.305 -12.551 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.865 -14.304 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.319 -13.342 -0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.578 -11.546 -0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.219 -11.722 1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.128 -13.561 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.651 -12.109 0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.342 -14.564 2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.972 -13.980 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.830 -13.237 4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.792 -11.863 3.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.421 -12.857 3.304 1.00 0.00 H new ATOM 544 N PHE A 36 1.285 -10.947 0.266 1.00 0.00 N ATOM 545 CA PHE A 36 0.475 -10.024 -0.519 1.00 0.00 C ATOM 546 C PHE A 36 0.548 -10.369 -2.003 1.00 0.00 C ATOM 547 O PHE A 36 -0.406 -10.155 -2.751 1.00 0.00 O ATOM 548 CB PHE A 36 0.944 -8.586 -0.292 1.00 0.00 C ATOM 549 CG PHE A 36 2.436 -8.451 -0.179 1.00 0.00 C ATOM 550 CD1 PHE A 36 3.237 -8.512 -1.307 1.00 0.00 C ATOM 551 CD2 PHE A 36 3.036 -8.265 1.055 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.611 -8.390 -1.205 1.00 0.00 C ATOM 553 CE2 PHE A 36 4.408 -8.143 1.163 1.00 0.00 C ATOM 554 CZ PHE A 36 5.196 -8.205 0.032 1.00 0.00 C ATOM 0 H PHE A 36 1.890 -10.495 0.952 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.561 -10.116 -0.194 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.593 -7.964 -1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.483 -8.202 0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.784 -8.656 -2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.424 -8.215 1.944 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.226 -8.439 -2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.863 -7.999 2.132 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.269 -8.109 0.114 1.00 0.00 H new ATOM 564 N GLY A 37 1.687 -10.913 -2.415 1.00 0.00 N ATOM 565 CA GLY A 37 1.871 -11.292 -3.801 1.00 0.00 C ATOM 566 C GLY A 37 0.896 -12.364 -4.234 1.00 0.00 C ATOM 567 O GLY A 37 0.450 -12.385 -5.380 1.00 0.00 O ATOM 0 H GLY A 37 2.488 -11.098 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.749 -10.414 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.890 -11.650 -3.946 1.00 0.00 H new ATOM 571 N LYS A 38 0.564 -13.256 -3.309 1.00 0.00 N ATOM 572 CA LYS A 38 -0.366 -14.339 -3.591 1.00 0.00 C ATOM 573 C LYS A 38 -1.766 -13.795 -3.852 1.00 0.00 C ATOM 574 O LYS A 38 -2.375 -14.092 -4.878 1.00 0.00 O ATOM 575 CB LYS A 38 -0.397 -15.328 -2.423 1.00 0.00 C ATOM 576 CG LYS A 38 0.028 -16.737 -2.807 1.00 0.00 C ATOM 577 CD LYS A 38 1.390 -17.089 -2.230 1.00 0.00 C ATOM 578 CE LYS A 38 2.501 -16.288 -2.892 1.00 0.00 C ATOM 579 NZ LYS A 38 3.391 -17.151 -3.718 1.00 0.00 N ATOM 0 H LYS A 38 0.926 -13.249 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.025 -14.858 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.257 -14.963 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.406 -15.361 -2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.714 -17.451 -2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.059 -16.825 -3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.392 -16.898 -1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.579 -18.154 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.064 -15.511 -3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.092 -15.785 -2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.135 -16.568 -4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.828 -17.877 -3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.832 -17.612 -4.465 1.00 0.00 H new ATOM 593 N LEU A 39 -2.268 -12.993 -2.914 1.00 0.00 N ATOM 594 CA LEU A 39 -3.602 -12.406 -3.032 1.00 0.00 C ATOM 595 C LEU A 39 -3.767 -11.670 -4.356 1.00 0.00 C ATOM 596 O LEU A 39 -4.841 -11.684 -4.955 1.00 0.00 O ATOM 597 CB LEU A 39 -3.868 -11.435 -1.877 1.00 0.00 C ATOM 598 CG LEU A 39 -3.998 -12.065 -0.482 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.981 -13.222 -0.502 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.645 -12.527 0.040 1.00 0.00 C ATOM 0 H LEU A 39 -1.770 -12.734 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.322 -13.223 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.060 -10.704 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.785 -10.887 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.379 -11.299 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.057 -13.652 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.960 -12.862 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.633 -13.983 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.768 -12.969 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.227 -13.270 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.970 -11.674 0.105 1.00 0.00 H new ATOM 612 N ALA A 40 -2.694 -11.027 -4.814 1.00 0.00 N ATOM 613 CA ALA A 40 -2.731 -10.280 -6.069 1.00 0.00 C ATOM 614 C ALA A 40 -3.270 -11.150 -7.198 1.00 0.00 C ATOM 615 O ALA A 40 -4.217 -10.781 -7.889 1.00 0.00 O ATOM 616 CB ALA A 40 -1.342 -9.759 -6.412 1.00 0.00 C ATOM 0 H ALA A 40 -1.793 -11.008 -4.337 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.402 -9.430 -5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.383 -9.204 -7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.993 -9.101 -5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.654 -10.598 -6.517 1.00 0.00 H new ATOM 622 N LYS A 41 -2.668 -12.314 -7.365 1.00 0.00 N ATOM 623 CA LYS A 41 -3.090 -13.251 -8.394 1.00 0.00 C ATOM 624 C LYS A 41 -4.233 -14.130 -7.889 1.00 0.00 C ATOM 625 O LYS A 41 -4.991 -14.692 -8.678 1.00 0.00 O ATOM 626 CB LYS A 41 -1.912 -14.122 -8.837 1.00 0.00 C ATOM 627 CG LYS A 41 -1.394 -15.051 -7.750 1.00 0.00 C ATOM 628 CD LYS A 41 -0.643 -16.234 -8.339 1.00 0.00 C ATOM 629 CE LYS A 41 0.716 -15.818 -8.879 1.00 0.00 C ATOM 630 NZ LYS A 41 0.632 -15.344 -10.289 1.00 0.00 N ATOM 0 H LYS A 41 -1.882 -12.635 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.447 -12.679 -9.251 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.216 -14.718 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.099 -13.476 -9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.736 -14.498 -7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.229 -15.411 -7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.513 -17.001 -7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.233 -16.679 -9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.128 -15.026 -8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.404 -16.661 -8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.415 -15.751 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.274 -15.643 -10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.697 -14.306 -10.311 1.00 0.00 H new ATOM 644 N GLU A 42 -4.328 -14.273 -6.567 1.00 0.00 N ATOM 645 CA GLU A 42 -5.351 -15.117 -5.960 1.00 0.00 C ATOM 646 C GLU A 42 -6.751 -14.499 -6.018 1.00 0.00 C ATOM 647 O GLU A 42 -7.626 -15.023 -6.709 1.00 0.00 O ATOM 648 CB GLU A 42 -4.969 -15.434 -4.512 1.00 0.00 C ATOM 649 CG GLU A 42 -4.600 -16.890 -4.286 1.00 0.00 C ATOM 650 CD GLU A 42 -4.762 -17.314 -2.839 1.00 0.00 C ATOM 651 OE1 GLU A 42 -4.339 -16.551 -1.945 1.00 0.00 O ATOM 652 OE2 GLU A 42 -5.312 -18.409 -2.599 1.00 0.00 O ATOM 0 H GLU A 42 -3.709 -13.815 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.395 -16.037 -6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.128 -14.805 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.802 -15.173 -3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.224 -17.522 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.567 -17.052 -4.595 1.00 0.00 H new ATOM 659 N LEU A 43 -6.986 -13.404 -5.284 1.00 0.00 N ATOM 660 CA LEU A 43 -8.316 -12.786 -5.284 1.00 0.00 C ATOM 661 C LEU A 43 -8.328 -11.345 -5.800 1.00 0.00 C ATOM 662 O LEU A 43 -9.402 -10.807 -6.067 1.00 0.00 O ATOM 663 CB LEU A 43 -8.970 -12.844 -3.893 1.00 0.00 C ATOM 664 CG LEU A 43 -8.029 -12.763 -2.688 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.316 -14.090 -2.475 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.028 -11.630 -2.848 1.00 0.00 C ATOM 0 H LEU A 43 -6.293 -12.939 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.901 -13.382 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.688 -12.027 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.536 -13.773 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.631 -12.552 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.652 -14.012 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.052 -14.874 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.733 -14.336 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.373 -11.597 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.431 -11.796 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.561 -10.683 -2.937 1.00 0.00 H new ATOM 678 N SER A 44 -7.165 -10.709 -5.949 1.00 0.00 N ATOM 679 CA SER A 44 -7.152 -9.328 -6.438 1.00 0.00 C ATOM 680 C SER A 44 -7.712 -9.274 -7.846 1.00 0.00 C ATOM 681 O SER A 44 -7.275 -10.007 -8.731 1.00 0.00 O ATOM 682 CB SER A 44 -5.741 -8.760 -6.437 1.00 0.00 C ATOM 683 OG SER A 44 -5.759 -7.345 -6.395 1.00 0.00 O ATOM 0 H SER A 44 -6.249 -11.110 -5.747 1.00 0.00 H new ATOM 0 HA SER A 44 -7.770 -8.728 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.192 -9.145 -5.578 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.211 -9.093 -7.329 1.00 0.00 H new ATOM 0 HG SER A 44 -4.842 -7.008 -6.313 1.00 0.00 H new ATOM 689 N ILE A 45 -8.712 -8.424 -8.037 1.00 0.00 N ATOM 690 CA ILE A 45 -9.361 -8.309 -9.330 1.00 0.00 C ATOM 691 C ILE A 45 -9.027 -7.016 -10.070 1.00 0.00 C ATOM 692 O ILE A 45 -9.102 -6.968 -11.297 1.00 0.00 O ATOM 693 CB ILE A 45 -10.885 -8.379 -9.158 1.00 0.00 C ATOM 694 CG1 ILE A 45 -11.336 -7.353 -8.117 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.304 -9.777 -8.737 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.697 -6.755 -8.393 1.00 0.00 C ATOM 0 H ILE A 45 -9.088 -7.808 -7.316 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.985 -9.140 -9.927 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.361 -8.149 -10.111 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.351 -7.828 -7.136 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.600 -6.550 -8.071 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.387 -9.812 -8.619 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.999 -10.493 -9.500 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.827 -10.030 -7.790 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.945 -6.038 -7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.683 -6.249 -9.358 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.446 -7.547 -8.409 1.00 0.00 H new ATOM 708 N ASP A 46 -8.698 -5.961 -9.335 1.00 0.00 N ATOM 709 CA ASP A 46 -8.405 -4.677 -9.971 1.00 0.00 C ATOM 710 C ASP A 46 -7.068 -4.088 -9.538 1.00 0.00 C ATOM 711 O ASP A 46 -6.953 -3.502 -8.462 1.00 0.00 O ATOM 712 CB ASP A 46 -9.531 -3.682 -9.677 1.00 0.00 C ATOM 713 CG ASP A 46 -9.325 -2.348 -10.369 1.00 0.00 C ATOM 714 OD1 ASP A 46 -8.897 -2.348 -11.541 1.00 0.00 O ATOM 715 OD2 ASP A 46 -9.593 -1.304 -9.738 1.00 0.00 O ATOM 0 H ASP A 46 -8.627 -5.964 -8.317 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.336 -4.863 -11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.481 -4.110 -9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.598 -3.522 -8.601 1.00 0.00 H new ATOM 720 N GLY A 47 -6.063 -4.212 -10.396 1.00 0.00 N ATOM 721 CA GLY A 47 -4.764 -3.645 -10.090 1.00 0.00 C ATOM 722 C GLY A 47 -3.726 -3.951 -11.146 1.00 0.00 C ATOM 723 O GLY A 47 -3.694 -5.050 -11.699 1.00 0.00 O ATOM 0 H GLY A 47 -6.123 -4.692 -11.294 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.860 -2.564 -9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.422 -4.030 -9.129 1.00 0.00 H new ATOM 727 N GLY A 48 -2.846 -2.990 -11.397 1.00 0.00 N ATOM 728 CA GLY A 48 -1.793 -3.194 -12.369 1.00 0.00 C ATOM 729 C GLY A 48 -0.648 -3.965 -11.762 1.00 0.00 C ATOM 730 O GLY A 48 -0.014 -4.791 -12.420 1.00 0.00 O ATOM 0 H GLY A 48 -2.844 -2.075 -10.945 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.186 -3.735 -13.230 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.436 -2.231 -12.733 1.00 0.00 H new ATOM 734 N SER A 49 -0.401 -3.700 -10.487 1.00 0.00 N ATOM 735 CA SER A 49 0.657 -4.373 -9.760 1.00 0.00 C ATOM 736 C SER A 49 0.241 -5.791 -9.376 1.00 0.00 C ATOM 737 O SER A 49 1.020 -6.521 -8.769 1.00 0.00 O ATOM 738 CB SER A 49 1.028 -3.577 -8.505 1.00 0.00 C ATOM 739 OG SER A 49 2.426 -3.354 -8.438 1.00 0.00 O ATOM 0 H SER A 49 -0.924 -3.020 -9.936 1.00 0.00 H new ATOM 0 HA SER A 49 1.528 -4.436 -10.412 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.504 -2.621 -8.508 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.700 -4.118 -7.617 1.00 0.00 H new ATOM 0 HG SER A 49 2.681 -3.151 -7.514 1.00 0.00 H new ATOM 745 N ALA A 50 -0.979 -6.196 -9.748 1.00 0.00 N ATOM 746 CA ALA A 50 -1.442 -7.543 -9.440 1.00 0.00 C ATOM 747 C ALA A 50 -0.548 -8.560 -10.132 1.00 0.00 C ATOM 748 O ALA A 50 -0.430 -9.707 -9.701 1.00 0.00 O ATOM 749 CB ALA A 50 -2.895 -7.725 -9.857 1.00 0.00 C ATOM 0 H ALA A 50 -1.649 -5.617 -10.254 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.386 -7.699 -8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.218 -8.738 -9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.519 -7.009 -9.323 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.989 -7.559 -10.930 1.00 0.00 H new ATOM 755 N LYS A 51 0.098 -8.109 -11.202 1.00 0.00 N ATOM 756 CA LYS A 51 1.010 -8.943 -11.963 1.00 0.00 C ATOM 757 C LYS A 51 2.424 -8.844 -11.385 1.00 0.00 C ATOM 758 O LYS A 51 3.340 -9.541 -11.823 1.00 0.00 O ATOM 759 CB LYS A 51 1.003 -8.496 -13.424 1.00 0.00 C ATOM 760 CG LYS A 51 0.231 -9.430 -14.341 1.00 0.00 C ATOM 761 CD LYS A 51 -0.539 -8.662 -15.405 1.00 0.00 C ATOM 762 CE LYS A 51 0.375 -7.752 -16.213 1.00 0.00 C ATOM 763 NZ LYS A 51 -0.303 -7.222 -17.427 1.00 0.00 N ATOM 0 H LYS A 51 0.002 -7.159 -11.562 1.00 0.00 H new ATOM 0 HA LYS A 51 0.686 -9.982 -11.902 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.570 -7.498 -13.488 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.031 -8.421 -13.777 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.922 -10.123 -14.821 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.462 -10.029 -13.751 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.036 -9.365 -16.073 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.319 -8.066 -14.931 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.704 -6.921 -15.589 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.268 -8.303 -16.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.352 -6.607 -17.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.595 -8.014 -18.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.141 -6.675 -17.145 1.00 0.00 H new ATOM 777 N ARG A 52 2.583 -7.962 -10.402 1.00 0.00 N ATOM 778 CA ARG A 52 3.864 -7.738 -9.748 1.00 0.00 C ATOM 779 C ARG A 52 3.777 -8.061 -8.257 1.00 0.00 C ATOM 780 O ARG A 52 4.538 -7.524 -7.455 1.00 0.00 O ATOM 781 CB ARG A 52 4.305 -6.287 -9.945 1.00 0.00 C ATOM 782 CG ARG A 52 4.668 -5.951 -11.383 1.00 0.00 C ATOM 783 CD ARG A 52 6.047 -5.318 -11.481 1.00 0.00 C ATOM 784 NE ARG A 52 6.673 -5.572 -12.777 1.00 0.00 N ATOM 785 CZ ARG A 52 7.816 -5.014 -13.169 1.00 0.00 C ATOM 786 NH1 ARG A 52 8.462 -4.172 -12.371 1.00 0.00 N ATOM 787 NH2 ARG A 52 8.318 -5.299 -14.364 1.00 0.00 N ATOM 0 H ARG A 52 1.826 -7.384 -10.038 1.00 0.00 H new ATOM 0 HA ARG A 52 4.601 -8.401 -10.200 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.504 -5.625 -9.617 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.165 -6.087 -9.306 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.640 -6.858 -11.987 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.924 -5.270 -11.796 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.965 -4.243 -11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.683 -5.710 -10.688 1.00 0.00 H new ATOM 0 HE ARG A 52 6.207 -6.214 -13.418 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.083 -3.949 -11.451 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.337 -3.748 -12.678 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.828 -5.946 -14.982 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.194 -4.871 -14.664 1.00 0.00 H new ATOM 801 N ASP A 53 2.832 -8.929 -7.896 1.00 0.00 N ATOM 802 CA ASP A 53 2.623 -9.332 -6.503 1.00 0.00 C ATOM 803 C ASP A 53 1.899 -8.239 -5.709 1.00 0.00 C ATOM 804 O ASP A 53 1.876 -8.260 -4.479 1.00 0.00 O ATOM 805 CB ASP A 53 3.958 -9.728 -5.839 1.00 0.00 C ATOM 806 CG ASP A 53 4.632 -8.608 -5.058 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.099 -8.210 -4.002 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.706 -8.143 -5.493 1.00 0.00 O ATOM 0 H ASP A 53 2.192 -9.371 -8.556 1.00 0.00 H new ATOM 0 HA ASP A 53 1.979 -10.211 -6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.780 -10.567 -5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.643 -10.079 -6.611 1.00 0.00 H new ATOM 813 N GLY A 54 1.296 -7.297 -6.423 1.00 0.00 N ATOM 814 CA GLY A 54 0.572 -6.222 -5.773 1.00 0.00 C ATOM 815 C GLY A 54 1.481 -5.304 -4.981 1.00 0.00 C ATOM 816 O GLY A 54 1.016 -4.542 -4.135 1.00 0.00 O ATOM 0 H GLY A 54 1.296 -7.258 -7.442 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.040 -5.640 -6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.180 -6.646 -5.107 1.00 0.00 H new ATOM 820 N SER A 55 2.780 -5.370 -5.256 1.00 0.00 N ATOM 821 CA SER A 55 3.748 -4.533 -4.559 1.00 0.00 C ATOM 822 C SER A 55 3.615 -3.076 -4.987 1.00 0.00 C ATOM 823 O SER A 55 4.314 -2.621 -5.894 1.00 0.00 O ATOM 824 CB SER A 55 5.170 -5.025 -4.827 1.00 0.00 C ATOM 825 OG SER A 55 5.483 -6.148 -4.021 1.00 0.00 O ATOM 0 H SER A 55 3.185 -5.993 -5.955 1.00 0.00 H new ATOM 0 HA SER A 55 3.543 -4.601 -3.491 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.274 -5.289 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.879 -4.222 -4.628 1.00 0.00 H new ATOM 0 HG SER A 55 4.655 -6.559 -3.696 1.00 0.00 H new ATOM 831 N LEU A 56 2.720 -2.346 -4.329 1.00 0.00 N ATOM 832 CA LEU A 56 2.506 -0.937 -4.644 1.00 0.00 C ATOM 833 C LEU A 56 3.818 -0.166 -4.568 1.00 0.00 C ATOM 834 O LEU A 56 4.026 0.805 -5.294 1.00 0.00 O ATOM 835 CB LEU A 56 1.475 -0.323 -3.688 1.00 0.00 C ATOM 836 CG LEU A 56 0.037 -0.811 -3.877 1.00 0.00 C ATOM 837 CD1 LEU A 56 -0.925 0.041 -3.063 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.348 -0.794 -5.350 1.00 0.00 C ATOM 0 H LEU A 56 2.133 -2.705 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 56 2.122 -0.869 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.782 -0.535 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.492 0.760 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.026 -1.839 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.943 -0.320 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.665 -0.025 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.857 1.079 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.374 -1.145 -5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.268 0.222 -5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.322 -1.448 -5.909 1.00 0.00 H new ATOM 850 N GLY A 57 4.706 -0.613 -3.687 1.00 0.00 N ATOM 851 CA GLY A 57 5.993 0.038 -3.534 1.00 0.00 C ATOM 852 C GLY A 57 5.876 1.407 -2.897 1.00 0.00 C ATOM 853 O GLY A 57 4.811 1.782 -2.406 1.00 0.00 O ATOM 0 H GLY A 57 4.557 -1.416 -3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.644 -0.589 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.467 0.134 -4.511 1.00 0.00 H new ATOM 857 N TYR A 58 6.974 2.156 -2.900 1.00 0.00 N ATOM 858 CA TYR A 58 6.982 3.491 -2.306 1.00 0.00 C ATOM 859 C TYR A 58 6.117 4.463 -3.098 1.00 0.00 C ATOM 860 O TYR A 58 6.465 4.858 -4.212 1.00 0.00 O ATOM 861 CB TYR A 58 8.405 4.074 -2.194 1.00 0.00 C ATOM 862 CG TYR A 58 9.526 3.111 -2.531 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.903 2.889 -3.849 1.00 0.00 C ATOM 864 CD2 TYR A 58 10.208 2.431 -1.530 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.928 2.016 -4.161 1.00 0.00 C ATOM 866 CE2 TYR A 58 11.235 1.557 -1.835 1.00 0.00 C ATOM 867 CZ TYR A 58 11.590 1.352 -3.150 1.00 0.00 C ATOM 868 OH TYR A 58 12.611 0.482 -3.457 1.00 0.00 O ATOM 0 H TYR A 58 7.864 1.865 -3.304 1.00 0.00 H new ATOM 0 HA TYR A 58 6.572 3.371 -1.303 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.479 4.938 -2.854 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.553 4.437 -1.177 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.387 3.407 -4.643 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.932 2.587 -0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.209 1.855 -5.191 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.757 1.037 -1.045 1.00 0.00 H new ATOM 0 HH TYR A 58 12.973 0.098 -2.631 1.00 0.00 H new ATOM 878 N PHE A 59 5.013 4.881 -2.494 1.00 0.00 N ATOM 879 CA PHE A 59 4.122 5.851 -3.113 1.00 0.00 C ATOM 880 C PHE A 59 3.941 7.045 -2.186 1.00 0.00 C ATOM 881 O PHE A 59 4.169 6.947 -0.984 1.00 0.00 O ATOM 882 CB PHE A 59 2.759 5.241 -3.423 1.00 0.00 C ATOM 883 CG PHE A 59 2.724 4.422 -4.684 1.00 0.00 C ATOM 884 CD1 PHE A 59 3.395 4.842 -5.823 1.00 0.00 C ATOM 885 CD2 PHE A 59 2.013 3.234 -4.730 1.00 0.00 C ATOM 886 CE1 PHE A 59 3.360 4.091 -6.981 1.00 0.00 C ATOM 887 CE2 PHE A 59 1.974 2.478 -5.887 1.00 0.00 C ATOM 888 CZ PHE A 59 2.648 2.907 -7.013 1.00 0.00 C ATOM 0 H PHE A 59 4.713 4.562 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 59 4.574 6.170 -4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.456 4.612 -2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.024 6.042 -3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.951 5.767 -5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.483 2.895 -3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.888 4.428 -7.861 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.417 1.553 -5.910 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.619 2.318 -7.918 1.00 0.00 H new ATOM 898 N GLY A 60 3.529 8.166 -2.748 1.00 0.00 N ATOM 899 CA GLY A 60 3.327 9.358 -1.947 1.00 0.00 C ATOM 900 C GLY A 60 1.869 9.769 -1.885 1.00 0.00 C ATOM 901 O GLY A 60 0.998 9.055 -2.379 1.00 0.00 O ATOM 0 H GLY A 60 3.330 8.276 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.696 9.181 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.916 10.176 -2.362 1.00 0.00 H new ATOM 905 N ARG A 61 1.600 10.917 -1.276 1.00 0.00 N ATOM 906 CA ARG A 61 0.241 11.413 -1.152 1.00 0.00 C ATOM 907 C ARG A 61 -0.131 12.242 -2.368 1.00 0.00 C ATOM 908 O ARG A 61 0.188 13.429 -2.448 1.00 0.00 O ATOM 909 CB ARG A 61 0.085 12.245 0.125 1.00 0.00 C ATOM 910 CG ARG A 61 0.965 13.484 0.160 1.00 0.00 C ATOM 911 CD ARG A 61 1.183 13.970 1.584 1.00 0.00 C ATOM 912 NE ARG A 61 2.154 13.146 2.301 1.00 0.00 N ATOM 913 CZ ARG A 61 2.261 13.113 3.627 1.00 0.00 C ATOM 914 NH1 ARG A 61 1.461 13.853 4.384 1.00 0.00 N ATOM 915 NH2 ARG A 61 3.171 12.336 4.197 1.00 0.00 N ATOM 0 H ARG A 61 2.309 11.521 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.433 10.558 -1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.957 12.548 0.225 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.320 11.619 0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.927 13.262 -0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.504 14.276 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.528 15.004 1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.234 13.961 2.120 1.00 0.00 H new ATOM 0 HE ARG A 61 2.786 12.562 1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.759 14.452 3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.548 13.823 5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.788 11.765 3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.255 12.309 5.213 1.00 0.00 H new ATOM 929 N GLY A 62 -0.805 11.610 -3.316 1.00 0.00 N ATOM 930 CA GLY A 62 -1.205 12.307 -4.516 1.00 0.00 C ATOM 931 C GLY A 62 -1.220 11.416 -5.744 1.00 0.00 C ATOM 932 O GLY A 62 -0.871 11.857 -6.839 1.00 0.00 O ATOM 0 H GLY A 62 -1.081 10.629 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.199 12.730 -4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.525 13.142 -4.688 1.00 0.00 H new ATOM 936 N LYS A 63 -1.622 10.159 -5.568 1.00 0.00 N ATOM 937 CA LYS A 63 -1.672 9.215 -6.680 1.00 0.00 C ATOM 938 C LYS A 63 -2.869 8.277 -6.556 1.00 0.00 C ATOM 939 O LYS A 63 -3.603 8.062 -7.521 1.00 0.00 O ATOM 940 CB LYS A 63 -0.377 8.402 -6.744 1.00 0.00 C ATOM 941 CG LYS A 63 -0.171 7.690 -8.070 1.00 0.00 C ATOM 942 CD LYS A 63 0.612 8.550 -9.049 1.00 0.00 C ATOM 943 CE LYS A 63 0.611 7.948 -10.445 1.00 0.00 C ATOM 944 NZ LYS A 63 1.908 7.293 -10.770 1.00 0.00 N ATOM 0 H LYS A 63 -1.916 9.773 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.782 9.788 -7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.468 9.066 -6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.381 7.664 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.360 6.753 -7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.139 7.435 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.180 9.550 -9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.639 8.658 -8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.194 7.218 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.406 8.729 -11.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.865 6.896 -11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.674 7.995 -10.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.092 6.530 -10.088 1.00 0.00 H new ATOM 958 N MET A 64 -3.059 7.713 -5.367 1.00 0.00 N ATOM 959 CA MET A 64 -4.167 6.792 -5.127 1.00 0.00 C ATOM 960 C MET A 64 -5.403 7.532 -4.622 1.00 0.00 C ATOM 961 O MET A 64 -5.327 8.698 -4.235 1.00 0.00 O ATOM 962 CB MET A 64 -3.759 5.708 -4.125 1.00 0.00 C ATOM 963 CG MET A 64 -2.975 6.237 -2.935 1.00 0.00 C ATOM 964 SD MET A 64 -1.206 5.910 -3.065 1.00 0.00 S ATOM 965 CE MET A 64 -0.913 5.025 -1.535 1.00 0.00 C ATOM 0 H MET A 64 -2.462 7.876 -4.556 1.00 0.00 H new ATOM 0 HA MET A 64 -4.416 6.320 -6.077 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.656 5.205 -3.763 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.158 4.958 -4.640 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.136 7.311 -2.848 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.358 5.782 -2.022 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.097 4.615 -1.539 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.024 5.708 -0.693 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.634 4.213 -1.441 1.00 0.00 H new ATOM 975 N VAL A 65 -6.542 6.841 -4.628 1.00 0.00 N ATOM 976 CA VAL A 65 -7.800 7.428 -4.174 1.00 0.00 C ATOM 977 C VAL A 65 -7.668 7.990 -2.759 1.00 0.00 C ATOM 978 O VAL A 65 -6.699 7.710 -2.056 1.00 0.00 O ATOM 979 CB VAL A 65 -8.945 6.396 -4.215 1.00 0.00 C ATOM 980 CG1 VAL A 65 -9.179 5.912 -5.638 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.643 5.228 -3.293 1.00 0.00 C ATOM 0 H VAL A 65 -6.619 5.874 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.038 8.244 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.857 6.880 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.991 5.184 -5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.444 6.759 -6.271 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.270 5.446 -6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.462 4.510 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.719 4.744 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.531 5.591 -2.271 1.00 0.00 H new ATOM 991 N LYS A 66 -8.643 8.799 -2.356 1.00 0.00 N ATOM 992 CA LYS A 66 -8.634 9.424 -1.036 1.00 0.00 C ATOM 993 C LYS A 66 -8.729 8.401 0.101 1.00 0.00 C ATOM 994 O LYS A 66 -7.963 8.473 1.062 1.00 0.00 O ATOM 995 CB LYS A 66 -9.784 10.426 -0.924 1.00 0.00 C ATOM 996 CG LYS A 66 -9.519 11.547 0.069 1.00 0.00 C ATOM 997 CD LYS A 66 -10.632 12.583 0.047 1.00 0.00 C ATOM 998 CE LYS A 66 -10.083 13.992 0.207 1.00 0.00 C ATOM 999 NZ LYS A 66 -9.541 14.225 1.574 1.00 0.00 N ATOM 0 H LYS A 66 -9.453 9.038 -2.927 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.678 9.937 -0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.975 10.859 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.689 9.896 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.426 11.132 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.569 12.027 -0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.181 12.509 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.341 12.374 0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.297 14.161 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.873 14.715 0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.177 15.197 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.297 14.089 2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.770 13.552 1.761 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.670 7.442 0.026 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.833 6.436 1.076 1.00 0.00 C ATOM 1015 C PRO A 67 -8.625 5.520 1.177 1.00 0.00 C ATOM 1016 O PRO A 67 -8.212 5.129 2.269 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.069 5.638 0.656 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.308 5.958 -0.781 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.634 7.271 -1.072 1.00 0.00 C ATOM 0 HA PRO A 67 -9.938 6.899 2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.907 4.569 0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.932 5.910 1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.907 5.172 -1.420 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.377 6.022 -0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.134 7.254 -2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.354 8.089 -1.099 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.064 5.183 0.026 1.00 0.00 N ATOM 1028 CA PHE A 68 -6.897 4.308 -0.028 1.00 0.00 C ATOM 1029 C PHE A 68 -5.641 5.059 0.404 1.00 0.00 C ATOM 1030 O PHE A 68 -4.916 4.615 1.294 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.719 3.760 -1.445 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.857 2.532 -1.528 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -6.385 1.279 -1.265 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -4.520 2.632 -1.881 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -5.597 0.148 -1.351 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -3.728 1.504 -1.971 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.266 0.260 -1.705 1.00 0.00 C ATOM 0 H PHE A 68 -8.396 5.501 -0.885 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.056 3.477 0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.701 3.530 -1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.284 4.539 -2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.425 1.185 -0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.093 3.602 -2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.021 -0.823 -1.142 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.688 1.595 -2.249 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.648 -0.623 -1.774 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.397 6.207 -0.224 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.233 7.024 0.098 1.00 0.00 C ATOM 1049 C GLU A 69 -4.227 7.398 1.575 1.00 0.00 C ATOM 1050 O GLU A 69 -3.168 7.509 2.196 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.219 8.287 -0.763 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.845 8.926 -0.891 1.00 0.00 C ATOM 1053 CD GLU A 69 -2.823 10.364 -0.409 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.533 11.200 -1.005 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -2.096 10.652 0.564 1.00 0.00 O ATOM 0 H GLU A 69 -5.991 6.591 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.337 6.440 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.590 8.041 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.910 9.014 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.123 8.344 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.528 8.891 -1.933 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.416 7.593 2.133 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.551 7.956 3.537 1.00 0.00 C ATOM 1064 C ASP A 70 -5.153 6.797 4.443 1.00 0.00 C ATOM 1065 O ASP A 70 -4.391 6.973 5.394 1.00 0.00 O ATOM 1066 CB ASP A 70 -6.990 8.380 3.837 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.144 8.964 5.228 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.558 8.400 6.176 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -7.848 9.985 5.369 1.00 0.00 O ATOM 0 H ASP A 70 -6.301 7.505 1.633 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.881 8.793 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.310 9.116 3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.649 7.518 3.733 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.675 5.613 4.146 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.375 4.424 4.937 1.00 0.00 C ATOM 1076 C ALA A 71 -3.975 3.889 4.647 1.00 0.00 C ATOM 1077 O ALA A 71 -3.488 2.997 5.341 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.417 3.348 4.682 1.00 0.00 C ATOM 0 H ALA A 71 -6.308 5.450 3.363 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.405 4.709 5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.182 2.466 5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.402 3.722 4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.415 3.083 3.625 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.333 4.430 3.614 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.994 3.993 3.233 1.00 0.00 C ATOM 1086 C ALA A 72 -0.961 4.342 4.301 1.00 0.00 C ATOM 1087 O ALA A 72 -0.161 3.498 4.703 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.601 4.611 1.900 1.00 0.00 C ATOM 0 H ALA A 72 -3.718 5.170 3.027 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.014 2.908 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.600 4.278 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.310 4.301 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.611 5.698 1.986 1.00 0.00 H new ATOM 1094 N PHE A 73 -0.978 5.592 4.751 1.00 0.00 N ATOM 1095 CA PHE A 73 -0.036 6.055 5.766 1.00 0.00 C ATOM 1096 C PHE A 73 -0.612 5.915 7.173 1.00 0.00 C ATOM 1097 O PHE A 73 -0.112 6.527 8.117 1.00 0.00 O ATOM 1098 CB PHE A 73 0.346 7.515 5.508 1.00 0.00 C ATOM 1099 CG PHE A 73 -0.832 8.401 5.232 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.783 8.637 6.213 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -0.992 8.996 3.992 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -2.871 9.448 5.961 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.078 9.811 3.736 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.019 10.037 4.721 1.00 0.00 C ATOM 0 H PHE A 73 -1.634 6.304 4.429 1.00 0.00 H new ATOM 0 HA PHE A 73 0.853 5.428 5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.885 7.900 6.374 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.030 7.559 4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.671 8.181 7.186 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.260 8.821 3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.606 9.622 6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.191 10.271 2.766 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.869 10.673 4.522 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.664 5.113 7.314 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.293 4.912 8.613 1.00 0.00 C ATOM 1116 C ARG A 74 -1.736 3.670 9.298 1.00 0.00 C ATOM 1117 O ARG A 74 -1.695 3.593 10.527 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.811 4.789 8.453 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.593 5.821 9.253 1.00 0.00 C ATOM 1120 CD ARG A 74 -6.072 5.788 8.907 1.00 0.00 C ATOM 1121 NE ARG A 74 -6.914 6.037 10.074 1.00 0.00 N ATOM 1122 CZ ARG A 74 -8.245 6.029 10.044 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -8.888 5.785 8.909 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -8.935 6.267 11.152 1.00 0.00 N ATOM 0 H ARG A 74 -2.096 4.595 6.549 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.071 5.778 9.237 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.066 4.890 7.398 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.121 3.791 8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.463 5.632 10.319 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.194 6.816 9.055 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.282 6.536 8.143 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.323 4.817 8.480 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.455 6.228 10.965 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.362 5.602 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.908 5.780 8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.446 6.456 12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.955 6.261 11.129 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.313 2.698 8.497 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.765 1.458 9.028 1.00 0.00 C ATOM 1140 C LEU A 75 0.752 1.426 8.915 1.00 0.00 C ATOM 1141 O LEU A 75 1.317 0.605 8.191 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.370 0.260 8.300 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.826 -0.059 8.645 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.082 -1.534 8.441 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.161 0.333 10.078 1.00 0.00 C ATOM 0 H LEU A 75 -1.340 2.746 7.478 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.024 1.405 10.085 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.300 0.437 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.763 -0.619 8.518 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.467 0.523 7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.119 -1.761 8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.890 -1.796 7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.421 -2.111 9.088 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.203 0.092 10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.517 -0.215 10.765 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.003 1.404 10.209 1.00 0.00 H new ATOM 1157 N GLN A 76 1.406 2.310 9.651 1.00 0.00 N ATOM 1158 CA GLN A 76 2.861 2.374 9.654 1.00 0.00 C ATOM 1159 C GLN A 76 3.437 1.148 10.354 1.00 0.00 C ATOM 1160 O GLN A 76 4.600 0.792 10.158 1.00 0.00 O ATOM 1161 CB GLN A 76 3.332 3.650 10.351 1.00 0.00 C ATOM 1162 CG GLN A 76 3.299 4.879 9.458 1.00 0.00 C ATOM 1163 CD GLN A 76 4.441 5.836 9.737 1.00 0.00 C ATOM 1164 OE1 GLN A 76 5.610 5.451 9.702 1.00 0.00 O ATOM 1165 NE2 GLN A 76 4.109 7.091 10.016 1.00 0.00 N ATOM 0 H GLN A 76 0.953 2.995 10.256 1.00 0.00 H new ATOM 0 HA GLN A 76 3.215 2.389 8.623 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.705 3.829 11.225 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.349 3.502 10.713 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.339 4.566 8.415 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.352 5.400 9.598 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.127 7.367 10.034 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.836 7.779 10.212 1.00 0.00 H new ATOM 1174 N VAL A 77 2.604 0.499 11.163 1.00 0.00 N ATOM 1175 CA VAL A 77 3.006 -0.698 11.890 1.00 0.00 C ATOM 1176 C VAL A 77 3.324 -1.832 10.921 1.00 0.00 C ATOM 1177 O VAL A 77 4.107 -2.729 11.233 1.00 0.00 O ATOM 1178 CB VAL A 77 1.895 -1.156 12.864 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.544 -1.168 12.165 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.206 -2.530 13.451 1.00 0.00 C ATOM 0 H VAL A 77 1.640 0.786 11.331 1.00 0.00 H new ATOM 0 HA VAL A 77 3.899 -0.450 12.464 1.00 0.00 H new ATOM 0 HB VAL A 77 1.855 -0.442 13.686 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.225 -1.493 12.866 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.310 -0.165 11.808 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.578 -1.855 11.319 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.407 -2.824 14.131 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.284 -3.260 12.646 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.149 -2.488 13.996 1.00 0.00 H new ATOM 1190 N GLY A 78 2.701 -1.790 9.749 1.00 0.00 N ATOM 1191 CA GLY A 78 2.921 -2.826 8.763 1.00 0.00 C ATOM 1192 C GLY A 78 1.884 -3.911 8.855 1.00 0.00 C ATOM 1193 O GLY A 78 2.209 -5.077 9.081 1.00 0.00 O ATOM 0 H GLY A 78 2.049 -1.058 9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.902 -2.388 7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.912 -3.257 8.903 1.00 0.00 H new ATOM 1197 N GLU A 79 0.634 -3.522 8.712 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.462 -4.464 8.812 1.00 0.00 C ATOM 1199 C GLU A 79 -1.528 -4.172 7.775 1.00 0.00 C ATOM 1200 O GLU A 79 -1.442 -3.186 7.044 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.059 -4.365 10.207 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.757 -5.626 10.677 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.252 -5.437 10.853 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.657 -4.833 11.869 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -4.017 -5.892 9.977 1.00 0.00 O ATOM 0 H GLU A 79 0.351 -2.560 8.526 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.086 -5.471 8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.266 -4.118 10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.771 -3.540 10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.578 -6.425 9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.321 -5.946 11.624 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.545 -5.019 7.726 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.630 -4.816 6.788 1.00 0.00 C ATOM 1214 C VAL A 80 -4.606 -3.791 7.350 1.00 0.00 C ATOM 1215 O VAL A 80 -4.789 -3.703 8.563 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.378 -6.128 6.462 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.523 -5.864 5.496 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.420 -7.164 5.886 1.00 0.00 C ATOM 0 H VAL A 80 -2.639 -5.844 8.319 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.196 -4.451 5.857 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.794 -6.524 7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.038 -6.800 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.223 -5.160 5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.129 -5.443 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.966 -8.081 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.973 -6.777 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.635 -7.377 6.612 1.00 0.00 H new ATOM 1228 N SER A 81 -5.214 -3.001 6.473 1.00 0.00 N ATOM 1229 CA SER A 81 -6.143 -1.963 6.908 1.00 0.00 C ATOM 1230 C SER A 81 -7.592 -2.357 6.650 1.00 0.00 C ATOM 1231 O SER A 81 -7.875 -3.295 5.906 1.00 0.00 O ATOM 1232 CB SER A 81 -5.832 -0.644 6.196 1.00 0.00 C ATOM 1233 OG SER A 81 -6.592 0.421 6.739 1.00 0.00 O ATOM 0 H SER A 81 -5.082 -3.058 5.463 1.00 0.00 H new ATOM 0 HA SER A 81 -6.015 -1.838 7.983 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.769 -0.420 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.047 -0.742 5.132 1.00 0.00 H new ATOM 0 HG SER A 81 -5.988 1.106 7.095 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.500 -1.637 7.302 1.00 0.00 N ATOM 1240 CA GLU A 82 -9.930 -1.899 7.191 1.00 0.00 C ATOM 1241 C GLU A 82 -10.392 -1.993 5.737 1.00 0.00 C ATOM 1242 O GLU A 82 -9.781 -1.427 4.825 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.720 -0.804 7.912 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.516 -0.802 9.418 1.00 0.00 C ATOM 1245 CD GLU A 82 -10.252 0.587 9.969 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -10.734 1.567 9.363 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -9.564 0.693 11.006 1.00 0.00 O ATOM 0 H GLU A 82 -8.266 -0.859 7.919 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.118 -2.865 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.428 0.167 7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.781 -0.931 7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.400 -1.219 9.901 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.679 -1.453 9.668 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.498 -2.709 5.505 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.054 -2.875 4.167 1.00 0.00 C ATOM 1256 C PRO A 83 -12.435 -1.539 3.545 1.00 0.00 C ATOM 1257 O PRO A 83 -13.431 -0.926 3.926 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.300 -3.740 4.388 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.614 -3.613 5.838 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.296 -3.409 6.526 1.00 0.00 C ATOM 0 HA PRO A 83 -11.337 -3.324 3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.132 -3.396 3.774 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.111 -4.778 4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.284 -2.773 6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.115 -4.507 6.209 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.402 -2.815 7.434 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.841 -4.356 6.816 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.636 -1.096 2.584 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.889 0.170 1.906 1.00 0.00 C ATOM 1270 C VAL A 84 -12.540 -0.069 0.549 1.00 0.00 C ATOM 1271 O VAL A 84 -11.865 -0.397 -0.426 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.589 0.971 1.685 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.868 2.241 0.895 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.918 1.299 3.008 1.00 0.00 C ATOM 0 H VAL A 84 -10.808 -1.593 2.256 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.556 0.743 2.550 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.906 0.349 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.938 2.791 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.290 1.980 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.576 2.863 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.004 1.864 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.594 1.894 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.673 0.374 3.531 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.855 0.104 0.496 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.600 -0.089 -0.739 1.00 0.00 C ATOM 1286 C LYS A 85 -14.781 1.230 -1.477 1.00 0.00 C ATOM 1287 O LYS A 85 -15.486 2.124 -1.011 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.968 -0.706 -0.443 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.695 -1.198 -1.684 1.00 0.00 C ATOM 1290 CD LYS A 85 -17.356 -0.052 -2.434 1.00 0.00 C ATOM 1291 CE LYS A 85 -18.422 -0.556 -3.395 1.00 0.00 C ATOM 1292 NZ LYS A 85 -19.618 0.331 -3.409 1.00 0.00 N ATOM 0 H LYS A 85 -14.427 0.378 1.295 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.029 -0.767 -1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.840 -1.540 0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.589 0.033 0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.990 -1.706 -2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.450 -1.931 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.805 0.640 -1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.600 0.506 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.005 -0.619 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.721 -1.565 -3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -20.322 -0.046 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -20.031 0.372 -2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -19.337 1.287 -3.706 1.00 0.00 H new ATOM 1306 N SER A 86 -14.144 1.343 -2.637 1.00 0.00 N ATOM 1307 CA SER A 86 -14.244 2.551 -3.445 1.00 0.00 C ATOM 1308 C SER A 86 -15.016 2.272 -4.729 1.00 0.00 C ATOM 1309 O SER A 86 -15.577 1.190 -4.903 1.00 0.00 O ATOM 1310 CB SER A 86 -12.848 3.087 -3.776 1.00 0.00 C ATOM 1311 OG SER A 86 -12.767 4.482 -3.537 1.00 0.00 O ATOM 0 H SER A 86 -13.554 0.614 -3.038 1.00 0.00 H new ATOM 0 HA SER A 86 -14.783 3.305 -2.871 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.103 2.568 -3.173 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.614 2.880 -4.820 1.00 0.00 H new ATOM 0 HG SER A 86 -11.866 4.799 -3.754 1.00 0.00 H new ATOM 1317 N GLU A 87 -15.039 3.249 -5.629 1.00 0.00 N ATOM 1318 CA GLU A 87 -15.741 3.097 -6.899 1.00 0.00 C ATOM 1319 C GLU A 87 -15.209 1.892 -7.674 1.00 0.00 C ATOM 1320 O GLU A 87 -15.886 1.363 -8.557 1.00 0.00 O ATOM 1321 CB GLU A 87 -15.592 4.365 -7.740 1.00 0.00 C ATOM 1322 CG GLU A 87 -14.152 4.814 -7.916 1.00 0.00 C ATOM 1323 CD GLU A 87 -13.996 6.319 -7.839 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -14.035 6.863 -6.716 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -13.835 6.955 -8.903 1.00 0.00 O ATOM 0 H GLU A 87 -14.581 4.152 -5.504 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.797 2.932 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.032 4.193 -8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.160 5.169 -7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.534 4.349 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.781 4.463 -8.879 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.994 1.467 -7.340 1.00 0.00 N ATOM 1333 CA PHE A 88 -13.371 0.330 -8.003 1.00 0.00 C ATOM 1334 C PHE A 88 -13.788 -0.988 -7.351 1.00 0.00 C ATOM 1335 O PHE A 88 -13.976 -1.995 -8.035 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.848 0.472 -7.966 1.00 0.00 C ATOM 1337 CG PHE A 88 -11.306 1.400 -9.014 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -11.111 0.960 -10.314 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.992 2.713 -8.702 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.612 1.811 -11.282 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -10.493 3.570 -9.665 1.00 0.00 C ATOM 1342 CZ PHE A 88 -10.303 3.118 -10.956 1.00 0.00 C ATOM 0 H PHE A 88 -13.422 1.895 -6.612 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.708 0.317 -9.039 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.549 0.834 -6.982 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.396 -0.512 -8.095 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.352 -0.060 -10.574 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.139 3.071 -7.694 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.464 1.455 -12.291 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.252 4.591 -9.408 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.913 3.785 -11.710 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.924 -0.976 -6.028 1.00 0.00 N ATOM 1353 CA GLY A 89 -14.312 -2.181 -5.313 1.00 0.00 C ATOM 1354 C GLY A 89 -13.765 -2.224 -3.905 1.00 0.00 C ATOM 1355 O GLY A 89 -13.251 -1.226 -3.398 1.00 0.00 O ATOM 0 H GLY A 89 -13.773 -0.157 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.400 -2.244 -5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.960 -3.054 -5.862 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.872 -3.384 -3.274 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.385 -3.568 -1.921 1.00 0.00 C ATOM 1361 C TYR A 90 -11.862 -3.673 -1.926 1.00 0.00 C ATOM 1362 O TYR A 90 -11.300 -4.725 -2.230 1.00 0.00 O ATOM 1363 CB TYR A 90 -14.027 -4.820 -1.328 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.949 -4.535 -0.161 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -16.176 -3.916 -0.364 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.596 -4.880 1.135 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -17.025 -3.650 0.695 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.439 -4.620 2.198 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.652 -4.005 1.973 1.00 0.00 C ATOM 1370 OH TYR A 90 -17.494 -3.742 3.030 1.00 0.00 O ATOM 0 H TYR A 90 -14.296 -4.216 -3.684 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.656 -2.711 -1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.590 -5.333 -2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.241 -5.501 -1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.472 -3.638 -1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.646 -5.360 1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -17.975 -3.167 0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -15.149 -4.897 3.201 1.00 0.00 H new ATOM 0 HH TYR A 90 -17.082 -4.056 3.862 1.00 0.00 H new ATOM 1380 N HIS A 91 -11.205 -2.558 -1.620 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.748 -2.493 -1.619 1.00 0.00 C ATOM 1382 C HIS A 91 -9.141 -3.070 -0.343 1.00 0.00 C ATOM 1383 O HIS A 91 -9.827 -3.264 0.661 1.00 0.00 O ATOM 1384 CB HIS A 91 -9.295 -1.041 -1.794 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.758 -0.418 -3.073 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -11.034 0.071 -3.253 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -9.107 -0.201 -4.240 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -11.149 0.559 -4.476 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -9.992 0.406 -5.095 1.00 0.00 N ATOM 0 H HIS A 91 -11.663 -1.682 -1.368 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.395 -3.101 -2.452 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.666 -0.450 -0.957 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.206 -1.002 -1.754 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.774 0.058 -2.552 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.081 -0.458 -4.458 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -12.037 1.006 -4.897 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.837 -3.326 -0.404 1.00 0.00 N ATOM 1399 CA VAL A 92 -7.088 -3.866 0.726 1.00 0.00 C ATOM 1400 C VAL A 92 -5.647 -3.363 0.678 1.00 0.00 C ATOM 1401 O VAL A 92 -5.047 -3.292 -0.395 1.00 0.00 O ATOM 1402 CB VAL A 92 -7.091 -5.407 0.722 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.412 -5.946 1.972 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.512 -5.937 0.609 1.00 0.00 C ATOM 0 H VAL A 92 -7.271 -3.165 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.573 -3.526 1.641 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.528 -5.751 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.424 -7.036 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.381 -5.595 2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.944 -5.594 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.495 -7.027 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.100 -5.584 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.961 -5.580 -0.318 1.00 0.00 H new ATOM 1414 N ILE A 93 -5.101 -2.994 1.830 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.736 -2.473 1.883 1.00 0.00 C ATOM 1416 C ILE A 93 -2.878 -3.204 2.912 1.00 0.00 C ATOM 1417 O ILE A 93 -3.197 -3.231 4.098 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.710 -0.959 2.208 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.133 -0.397 2.290 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.895 -0.197 1.170 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.189 1.034 2.775 1.00 0.00 C ATOM 0 H ILE A 93 -5.574 -3.044 2.732 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.320 -2.640 0.889 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.233 -0.830 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.596 -0.457 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.724 -1.022 2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.891 0.864 1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.872 -0.572 1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.339 -0.337 0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.227 1.367 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.755 1.097 3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.625 1.671 2.094 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.770 -3.767 2.442 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.830 -4.471 3.307 1.00 0.00 C ATOM 1435 C LYS A 94 0.564 -3.889 3.110 1.00 0.00 C ATOM 1436 O LYS A 94 1.149 -4.006 2.034 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.831 -5.971 3.003 1.00 0.00 C ATOM 1438 CG LYS A 94 -0.366 -6.832 4.168 1.00 0.00 C ATOM 1439 CD LYS A 94 0.970 -6.359 4.722 1.00 0.00 C ATOM 1440 CE LYS A 94 1.459 -7.265 5.839 1.00 0.00 C ATOM 1441 NZ LYS A 94 0.443 -7.419 6.918 1.00 0.00 N ATOM 0 H LYS A 94 -1.499 -3.749 1.459 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.134 -4.341 4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.839 -6.274 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.187 -6.159 2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.116 -6.809 4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.278 -7.868 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.709 -6.334 3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.870 -5.340 5.095 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.705 -8.245 5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.377 -6.857 6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.917 -7.424 7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.229 -6.626 6.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.070 -8.314 6.787 1.00 0.00 H new ATOM 1455 N ARG A 95 1.076 -3.224 4.140 1.00 0.00 N ATOM 1456 CA ARG A 95 2.380 -2.578 4.060 1.00 0.00 C ATOM 1457 C ARG A 95 3.481 -3.565 3.700 1.00 0.00 C ATOM 1458 O ARG A 95 3.592 -4.646 4.279 1.00 0.00 O ATOM 1459 CB ARG A 95 2.715 -1.887 5.382 1.00 0.00 C ATOM 1460 CG ARG A 95 3.321 -0.503 5.206 1.00 0.00 C ATOM 1461 CD ARG A 95 3.563 0.179 6.543 1.00 0.00 C ATOM 1462 NE ARG A 95 4.928 0.686 6.660 1.00 0.00 N ATOM 1463 CZ ARG A 95 5.984 -0.080 6.929 1.00 0.00 C ATOM 1464 NH1 ARG A 95 5.834 -1.386 7.109 1.00 0.00 N ATOM 1465 NH2 ARG A 95 7.190 0.462 7.017 1.00 0.00 N ATOM 0 H ARG A 95 0.607 -3.118 5.040 1.00 0.00 H new ATOM 0 HA ARG A 95 2.324 -1.834 3.266 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.807 -1.804 5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.411 -2.511 5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.263 -0.584 4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.656 0.111 4.599 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.859 1.003 6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.368 -0.527 7.350 1.00 0.00 H new ATOM 0 HE ARG A 95 5.082 1.686 6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.907 -1.807 7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.645 -1.969 7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.309 1.466 6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.999 -0.124 7.223 1.00 0.00 H new ATOM 1479 N LEU A 96 4.296 -3.162 2.732 1.00 0.00 N ATOM 1480 CA LEU A 96 5.400 -3.956 2.261 1.00 0.00 C ATOM 1481 C LEU A 96 6.462 -3.048 1.650 1.00 0.00 C ATOM 1482 O LEU A 96 6.222 -2.362 0.657 1.00 0.00 O ATOM 1483 CB LEU A 96 4.904 -4.980 1.235 1.00 0.00 C ATOM 1484 CG LEU A 96 5.104 -4.606 -0.240 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.541 -4.873 -0.668 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.126 -5.370 -1.122 1.00 0.00 C ATOM 0 H LEU A 96 4.199 -2.266 2.255 1.00 0.00 H new ATOM 0 HA LEU A 96 5.844 -4.495 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.412 -5.926 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.841 -5.150 1.405 1.00 0.00 H new ATOM 0 HG LEU A 96 4.906 -3.540 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.665 -4.602 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.219 -4.277 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.769 -5.931 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.282 -5.092 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.290 -6.441 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.105 -5.124 -0.830 1.00 0.00 H new ATOM 1498 N GLY A 97 7.628 -3.045 2.257 1.00 0.00 N ATOM 1499 CA GLY A 97 8.716 -2.223 1.767 1.00 0.00 C ATOM 1500 C GLY A 97 10.073 -2.718 2.226 1.00 0.00 C ATOM 1501 O GLY A 97 10.700 -2.037 3.066 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.510 -3.784 1.747 1.00 0.00 O ATOM 0 H GLY A 97 7.848 -3.598 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.690 -2.204 0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.573 -1.197 2.107 1.00 0.00 H new TER 1506 GLY A 97