USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -134:sc= -1.02 (180deg=-4.4!) USER MOD Single : A 17 THR OG1 : rot -26:sc= 0.154 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 122:sc= -2.16! USER MOD Single : A 24 SER OG : rot 180:sc= 0.445 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= -0.0335 (180deg=-0.286) USER MOD Single : A 37 GLN : amide:sc= -0.0837 K(o=-0.084,f=-2.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.019 X(o=-0.019,f=-0.019) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.138 30.327 10.410 1.00 0.00 N ATOM 2 CA GLY A 1 -21.956 30.221 9.216 1.00 0.00 C ATOM 3 C GLY A 1 -21.315 29.354 8.150 1.00 0.00 C ATOM 4 O GLY A 1 -20.675 29.862 7.229 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.619 30.929 11.108 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.989 29.380 10.814 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.219 30.747 10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.929 29.806 9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.134 31.217 8.811 1.00 0.00 H new ATOM 8 N SER A 2 -21.486 28.042 8.275 1.00 0.00 N ATOM 9 CA SER A 2 -20.914 27.102 7.318 1.00 0.00 C ATOM 10 C SER A 2 -21.992 26.182 6.751 1.00 0.00 C ATOM 11 O SER A 2 -22.940 25.816 7.445 1.00 0.00 O ATOM 12 CB SER A 2 -19.815 26.270 7.981 1.00 0.00 C ATOM 13 OG SER A 2 -20.365 25.314 8.871 1.00 0.00 O ATOM 0 H SER A 2 -22.016 27.606 9.029 1.00 0.00 H new ATOM 0 HA SER A 2 -20.480 27.675 6.498 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.227 25.763 7.216 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.135 26.927 8.523 1.00 0.00 H new ATOM 0 HG SER A 2 -19.642 24.794 9.280 1.00 0.00 H new ATOM 19 N SER A 3 -21.838 25.812 5.483 1.00 0.00 N ATOM 20 CA SER A 3 -22.798 24.938 4.820 1.00 0.00 C ATOM 21 C SER A 3 -22.513 23.474 5.142 1.00 0.00 C ATOM 22 O SER A 3 -21.432 23.131 5.617 1.00 0.00 O ATOM 23 CB SER A 3 -22.758 25.157 3.306 1.00 0.00 C ATOM 24 OG SER A 3 -23.089 26.494 2.975 1.00 0.00 O ATOM 0 H SER A 3 -21.057 26.104 4.895 1.00 0.00 H new ATOM 0 HA SER A 3 -23.793 25.186 5.189 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.763 24.921 2.928 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.455 24.475 2.818 1.00 0.00 H new ATOM 0 HG SER A 3 -23.055 26.608 2.002 1.00 0.00 H new ATOM 30 N GLY A 4 -23.493 22.615 4.879 1.00 0.00 N ATOM 31 CA GLY A 4 -23.330 21.198 5.146 1.00 0.00 C ATOM 32 C GLY A 4 -23.037 20.401 3.890 1.00 0.00 C ATOM 33 O GLY A 4 -23.835 20.391 2.953 1.00 0.00 O ATOM 0 H GLY A 4 -24.397 22.875 4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.518 21.057 5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.236 20.813 5.614 1.00 0.00 H new ATOM 37 N SER A 5 -21.888 19.733 3.870 1.00 0.00 N ATOM 38 CA SER A 5 -21.489 18.934 2.717 1.00 0.00 C ATOM 39 C SER A 5 -21.287 17.474 3.112 1.00 0.00 C ATOM 40 O SER A 5 -20.953 17.169 4.257 1.00 0.00 O ATOM 41 CB SER A 5 -20.203 19.491 2.104 1.00 0.00 C ATOM 42 OG SER A 5 -20.475 20.606 1.274 1.00 0.00 O ATOM 0 H SER A 5 -21.217 19.729 4.639 1.00 0.00 H new ATOM 0 HA SER A 5 -22.287 18.985 1.977 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.515 19.784 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.707 18.714 1.523 1.00 0.00 H new ATOM 0 HG SER A 5 -19.637 20.945 0.896 1.00 0.00 H new ATOM 48 N SER A 6 -21.493 16.575 2.155 1.00 0.00 N ATOM 49 CA SER A 6 -21.338 15.146 2.402 1.00 0.00 C ATOM 50 C SER A 6 -19.867 14.783 2.583 1.00 0.00 C ATOM 51 O SER A 6 -19.016 15.177 1.787 1.00 0.00 O ATOM 52 CB SER A 6 -21.936 14.339 1.247 1.00 0.00 C ATOM 53 OG SER A 6 -22.060 12.970 1.593 1.00 0.00 O ATOM 0 H SER A 6 -21.768 16.811 1.201 1.00 0.00 H new ATOM 0 HA SER A 6 -21.871 14.901 3.321 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.915 14.742 0.986 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.305 14.439 0.364 1.00 0.00 H new ATOM 0 HG SER A 6 -22.446 12.476 0.840 1.00 0.00 H new ATOM 59 N GLY A 7 -19.576 14.028 3.638 1.00 0.00 N ATOM 60 CA GLY A 7 -18.209 13.623 3.906 1.00 0.00 C ATOM 61 C GLY A 7 -17.571 12.916 2.727 1.00 0.00 C ATOM 62 O GLY A 7 -18.266 12.428 1.837 1.00 0.00 O ATOM 0 H GLY A 7 -20.263 13.690 4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.617 14.502 4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.192 12.963 4.773 1.00 0.00 H new ATOM 66 N GLY A 8 -16.242 12.864 2.718 1.00 0.00 N ATOM 67 CA GLY A 8 -15.533 12.211 1.633 1.00 0.00 C ATOM 68 C GLY A 8 -14.195 12.862 1.341 1.00 0.00 C ATOM 69 O GLY A 8 -13.149 12.363 1.758 1.00 0.00 O ATOM 0 H GLY A 8 -15.644 13.262 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -15.376 11.162 1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -16.149 12.235 0.734 1.00 0.00 H new ATOM 73 N THR A 9 -14.226 13.978 0.620 1.00 0.00 N ATOM 74 CA THR A 9 -13.007 14.696 0.270 1.00 0.00 C ATOM 75 C THR A 9 -12.138 14.935 1.499 1.00 0.00 C ATOM 76 O THR A 9 -12.602 15.470 2.505 1.00 0.00 O ATOM 77 CB THR A 9 -13.324 16.051 -0.392 1.00 0.00 C ATOM 78 OG1 THR A 9 -12.114 16.666 -0.850 1.00 0.00 O ATOM 79 CG2 THR A 9 -14.033 16.977 0.583 1.00 0.00 C ATOM 0 H THR A 9 -15.083 14.404 0.267 1.00 0.00 H new ATOM 0 HA THR A 9 -12.464 14.071 -0.439 1.00 0.00 H new ATOM 0 HB THR A 9 -13.984 15.871 -1.241 1.00 0.00 H new ATOM 0 HG1 THR A 9 -12.323 17.526 -1.271 1.00 0.00 H new ATOM 0 HG21 THR A 9 -14.246 17.927 0.093 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.967 16.518 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 9 -13.395 17.151 1.449 1.00 0.00 H new ATOM 87 N ASP A 10 -10.874 14.535 1.410 1.00 0.00 N ATOM 88 CA ASP A 10 -9.938 14.708 2.515 1.00 0.00 C ATOM 89 C ASP A 10 -8.701 15.479 2.064 1.00 0.00 C ATOM 90 O ASP A 10 -8.425 15.586 0.870 1.00 0.00 O ATOM 91 CB ASP A 10 -9.528 13.347 3.081 1.00 0.00 C ATOM 92 CG ASP A 10 -10.702 12.584 3.662 1.00 0.00 C ATOM 93 OD1 ASP A 10 -11.646 13.235 4.157 1.00 0.00 O ATOM 94 OD2 ASP A 10 -10.677 11.336 3.621 1.00 0.00 O ATOM 0 H ASP A 10 -10.474 14.089 0.584 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.437 15.282 3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.067 12.753 2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.773 13.491 3.854 1.00 0.00 H new ATOM 99 N GLY A 11 -7.961 16.016 3.029 1.00 0.00 N ATOM 100 CA GLY A 11 -6.763 16.771 2.712 1.00 0.00 C ATOM 101 C GLY A 11 -5.904 16.085 1.668 1.00 0.00 C ATOM 102 O GLY A 11 -5.669 14.878 1.741 1.00 0.00 O ATOM 0 H GLY A 11 -8.170 15.942 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.045 17.760 2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.178 16.917 3.620 1.00 0.00 H new ATOM 106 N THR A 12 -5.435 16.855 0.691 1.00 0.00 N ATOM 107 CA THR A 12 -4.600 16.314 -0.374 1.00 0.00 C ATOM 108 C THR A 12 -3.137 16.257 0.049 1.00 0.00 C ATOM 109 O THR A 12 -2.402 17.235 -0.088 1.00 0.00 O ATOM 110 CB THR A 12 -4.719 17.151 -1.661 1.00 0.00 C ATOM 111 OG1 THR A 12 -3.905 16.582 -2.693 1.00 0.00 O ATOM 112 CG2 THR A 12 -4.295 18.591 -1.411 1.00 0.00 C ATOM 0 H THR A 12 -5.619 17.855 0.615 1.00 0.00 H new ATOM 0 HA THR A 12 -4.957 15.303 -0.573 1.00 0.00 H new ATOM 0 HB THR A 12 -5.762 17.145 -1.977 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.988 17.119 -3.508 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.387 19.163 -2.334 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.935 19.031 -0.646 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.259 18.612 -1.074 1.00 0.00 H new ATOM 120 N LYS A 13 -2.719 15.106 0.564 1.00 0.00 N ATOM 121 CA LYS A 13 -1.342 14.920 1.006 1.00 0.00 C ATOM 122 C LYS A 13 -0.914 13.464 0.856 1.00 0.00 C ATOM 123 O LYS A 13 -1.735 12.546 0.866 1.00 0.00 O ATOM 124 CB LYS A 13 -1.189 15.360 2.463 1.00 0.00 C ATOM 125 CG LYS A 13 -0.841 16.830 2.621 1.00 0.00 C ATOM 126 CD LYS A 13 -0.272 17.124 4.000 1.00 0.00 C ATOM 127 CE LYS A 13 1.211 16.796 4.072 1.00 0.00 C ATOM 128 NZ LYS A 13 1.448 15.372 4.438 1.00 0.00 N ATOM 0 H LYS A 13 -3.315 14.287 0.686 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.699 15.536 0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.118 15.156 2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.413 14.759 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.117 17.117 1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.733 17.435 2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.425 18.176 4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.811 16.543 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.676 17.005 3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.691 17.444 4.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.181 15.320 5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.566 14.955 4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.762 14.845 3.598 1.00 0.00 H new ATOM 142 N PRO A 14 0.402 13.244 0.715 1.00 0.00 N ATOM 143 CA PRO A 14 0.968 11.900 0.563 1.00 0.00 C ATOM 144 C PRO A 14 0.868 11.081 1.845 1.00 0.00 C ATOM 145 O PRO A 14 1.751 11.142 2.700 1.00 0.00 O ATOM 146 CB PRO A 14 2.433 12.171 0.213 1.00 0.00 C ATOM 147 CG PRO A 14 2.720 13.512 0.795 1.00 0.00 C ATOM 148 CD PRO A 14 1.438 14.290 0.694 1.00 0.00 C ATOM 0 HA PRO A 14 0.437 11.316 -0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.088 11.408 0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.590 12.166 -0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.044 13.426 1.832 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.523 14.010 0.251 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.324 14.986 1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.396 14.879 -0.222 1.00 0.00 H new ATOM 156 N GLU A 15 -0.211 10.314 1.970 1.00 0.00 N ATOM 157 CA GLU A 15 -0.424 9.483 3.149 1.00 0.00 C ATOM 158 C GLU A 15 -1.174 8.205 2.784 1.00 0.00 C ATOM 159 O GLU A 15 -1.597 8.023 1.642 1.00 0.00 O ATOM 160 CB GLU A 15 -1.202 10.259 4.213 1.00 0.00 C ATOM 161 CG GLU A 15 -2.692 10.351 3.931 1.00 0.00 C ATOM 162 CD GLU A 15 -3.319 11.606 4.507 1.00 0.00 C ATOM 163 OE1 GLU A 15 -3.257 11.786 5.742 1.00 0.00 O ATOM 164 OE2 GLU A 15 -3.870 12.408 3.725 1.00 0.00 O ATOM 0 H GLU A 15 -0.950 10.251 1.270 1.00 0.00 H new ATOM 0 HA GLU A 15 0.551 9.209 3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.053 9.781 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.792 11.266 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.856 10.329 2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.191 9.476 4.347 1.00 0.00 H new ATOM 171 N CYS A 16 -1.336 7.321 3.764 1.00 0.00 N ATOM 172 CA CYS A 16 -2.034 6.060 3.548 1.00 0.00 C ATOM 173 C CYS A 16 -3.166 5.885 4.556 1.00 0.00 C ATOM 174 O CYS A 16 -2.989 5.265 5.606 1.00 0.00 O ATOM 175 CB CYS A 16 -1.056 4.887 3.655 1.00 0.00 C ATOM 176 SG CYS A 16 -1.503 3.451 2.628 1.00 0.00 S ATOM 0 H CYS A 16 -0.993 7.456 4.715 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.463 6.078 2.546 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.062 5.230 3.369 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.997 4.571 4.697 1.00 0.00 H new ATOM 181 N THR A 17 -4.331 6.437 4.230 1.00 0.00 N ATOM 182 CA THR A 17 -5.492 6.344 5.106 1.00 0.00 C ATOM 183 C THR A 17 -5.789 4.895 5.474 1.00 0.00 C ATOM 184 O THR A 17 -6.518 4.623 6.428 1.00 0.00 O ATOM 185 CB THR A 17 -6.742 6.962 4.450 1.00 0.00 C ATOM 186 OG1 THR A 17 -7.870 6.828 5.322 1.00 0.00 O ATOM 187 CG2 THR A 17 -7.041 6.291 3.118 1.00 0.00 C ATOM 0 H THR A 17 -4.495 6.953 3.366 1.00 0.00 H new ATOM 0 HA THR A 17 -5.251 6.903 6.010 1.00 0.00 H new ATOM 0 HB THR A 17 -6.546 8.019 4.270 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.739 6.055 5.911 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.927 6.744 2.673 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.192 6.420 2.447 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.218 5.227 3.278 1.00 0.00 H new ATOM 195 N LEU A 18 -5.220 3.968 4.711 1.00 0.00 N ATOM 196 CA LEU A 18 -5.423 2.544 4.958 1.00 0.00 C ATOM 197 C LEU A 18 -4.476 2.038 6.041 1.00 0.00 C ATOM 198 O LEU A 18 -4.881 1.298 6.938 1.00 0.00 O ATOM 199 CB LEU A 18 -5.213 1.748 3.668 1.00 0.00 C ATOM 200 CG LEU A 18 -5.013 0.242 3.835 1.00 0.00 C ATOM 201 CD1 LEU A 18 -6.325 -0.435 4.198 1.00 0.00 C ATOM 202 CD2 LEU A 18 -4.432 -0.362 2.564 1.00 0.00 C ATOM 0 H LEU A 18 -4.615 4.176 3.917 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.447 2.403 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.074 1.910 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.344 2.155 3.151 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.307 0.077 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.162 -1.507 4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.700 -0.023 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.055 -0.262 3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.296 -1.435 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.114 -0.185 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.469 0.101 2.348 1.00 0.00 H new ATOM 214 N CYS A 19 -3.214 2.445 5.953 1.00 0.00 N ATOM 215 CA CYS A 19 -2.209 2.035 6.926 1.00 0.00 C ATOM 216 C CYS A 19 -1.879 3.178 7.882 1.00 0.00 C ATOM 217 O CYS A 19 -0.932 3.095 8.663 1.00 0.00 O ATOM 218 CB CYS A 19 -0.938 1.569 6.213 1.00 0.00 C ATOM 219 SG CYS A 19 -1.247 0.562 4.727 1.00 0.00 S ATOM 0 H CYS A 19 -2.863 3.059 5.218 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.617 1.207 7.505 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.351 2.443 5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.333 0.991 6.912 1.00 0.00 H new ATOM 224 N GLY A 20 -2.668 4.246 7.813 1.00 0.00 N ATOM 225 CA GLY A 20 -2.444 5.391 8.677 1.00 0.00 C ATOM 226 C GLY A 20 -0.996 5.837 8.684 1.00 0.00 C ATOM 227 O GLY A 20 -0.502 6.353 9.687 1.00 0.00 O ATOM 0 H GLY A 20 -3.458 4.339 7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.074 6.218 8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.749 5.141 9.693 1.00 0.00 H new ATOM 231 N VAL A 21 -0.311 5.637 7.562 1.00 0.00 N ATOM 232 CA VAL A 21 1.090 6.022 7.443 1.00 0.00 C ATOM 233 C VAL A 21 1.254 7.218 6.512 1.00 0.00 C ATOM 234 O VAL A 21 1.234 7.075 5.289 1.00 0.00 O ATOM 235 CB VAL A 21 1.950 4.856 6.919 1.00 0.00 C ATOM 236 CG1 VAL A 21 3.392 5.300 6.729 1.00 0.00 C ATOM 237 CG2 VAL A 21 1.869 3.668 7.865 1.00 0.00 C ATOM 0 H VAL A 21 -0.704 5.211 6.723 1.00 0.00 H new ATOM 0 HA VAL A 21 1.430 6.294 8.442 1.00 0.00 H new ATOM 0 HB VAL A 21 1.560 4.546 5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.984 4.463 6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.429 6.118 6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.797 5.637 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.482 2.853 7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.233 3.962 8.850 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.834 3.336 7.945 1.00 0.00 H new ATOM 247 N LYS A 22 1.417 8.399 7.099 1.00 0.00 N ATOM 248 CA LYS A 22 1.587 9.622 6.323 1.00 0.00 C ATOM 249 C LYS A 22 3.012 9.736 5.792 1.00 0.00 C ATOM 250 O LYS A 22 3.938 10.065 6.534 1.00 0.00 O ATOM 251 CB LYS A 22 1.252 10.845 7.181 1.00 0.00 C ATOM 252 CG LYS A 22 1.102 12.127 6.380 1.00 0.00 C ATOM 253 CD LYS A 22 1.096 13.350 7.281 1.00 0.00 C ATOM 254 CE LYS A 22 -0.191 13.444 8.085 1.00 0.00 C ATOM 255 NZ LYS A 22 -0.086 14.440 9.187 1.00 0.00 N ATOM 0 H LYS A 22 1.435 8.535 8.110 1.00 0.00 H new ATOM 0 HA LYS A 22 0.904 9.582 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.326 10.655 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.036 10.982 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.919 12.207 5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.176 12.092 5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.948 13.307 7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.215 14.249 6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.013 13.719 7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.431 12.466 8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.984 14.474 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.681 14.164 9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.118 15.379 8.788 1.00 0.00 H new ATOM 269 N TYR A 23 3.181 9.464 4.502 1.00 0.00 N ATOM 270 CA TYR A 23 4.494 9.536 3.872 1.00 0.00 C ATOM 271 C TYR A 23 5.151 10.887 4.133 1.00 0.00 C ATOM 272 O TYR A 23 4.470 11.893 4.334 1.00 0.00 O ATOM 273 CB TYR A 23 4.373 9.297 2.366 1.00 0.00 C ATOM 274 CG TYR A 23 3.303 8.295 1.995 1.00 0.00 C ATOM 275 CD1 TYR A 23 3.183 7.092 2.680 1.00 0.00 C ATOM 276 CD2 TYR A 23 2.412 8.551 0.960 1.00 0.00 C ATOM 277 CE1 TYR A 23 2.207 6.173 2.345 1.00 0.00 C ATOM 278 CE2 TYR A 23 1.432 7.639 0.619 1.00 0.00 C ATOM 279 CZ TYR A 23 1.334 6.452 1.314 1.00 0.00 C ATOM 280 OH TYR A 23 0.360 5.540 0.976 1.00 0.00 O ATOM 0 H TYR A 23 2.426 9.192 3.873 1.00 0.00 H new ATOM 0 HA TYR A 23 5.121 8.758 4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.158 10.245 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.333 8.949 1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.864 6.871 3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.487 9.479 0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.128 5.242 2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.747 7.854 -0.187 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.522 5.958 1.059 1.00 0.00 H new ATOM 290 N SER A 24 6.480 10.903 4.127 1.00 0.00 N ATOM 291 CA SER A 24 7.231 12.130 4.367 1.00 0.00 C ATOM 292 C SER A 24 7.357 12.948 3.085 1.00 0.00 C ATOM 293 O SER A 24 7.376 12.398 1.984 1.00 0.00 O ATOM 294 CB SER A 24 8.622 11.803 4.915 1.00 0.00 C ATOM 295 OG SER A 24 9.473 11.319 3.891 1.00 0.00 O ATOM 0 H SER A 24 7.059 10.080 3.959 1.00 0.00 H new ATOM 0 HA SER A 24 6.688 12.721 5.104 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.059 12.695 5.363 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.539 11.057 5.706 1.00 0.00 H new ATOM 0 HG SER A 24 10.356 11.119 4.267 1.00 0.00 H new ATOM 301 N ALA A 25 7.443 14.265 3.238 1.00 0.00 N ATOM 302 CA ALA A 25 7.570 15.160 2.094 1.00 0.00 C ATOM 303 C ALA A 25 8.410 14.526 0.991 1.00 0.00 C ATOM 304 O ALA A 25 8.194 14.785 -0.193 1.00 0.00 O ATOM 305 CB ALA A 25 8.177 16.487 2.527 1.00 0.00 C ATOM 0 H ALA A 25 7.427 14.736 4.143 1.00 0.00 H new ATOM 0 HA ALA A 25 6.572 15.343 1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.266 17.146 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.536 16.954 3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.165 16.313 2.954 1.00 0.00 H new ATOM 311 N ARG A 26 9.369 13.695 1.387 1.00 0.00 N ATOM 312 CA ARG A 26 10.242 13.026 0.432 1.00 0.00 C ATOM 313 C ARG A 26 9.621 11.718 -0.050 1.00 0.00 C ATOM 314 O ARG A 26 9.454 11.502 -1.251 1.00 0.00 O ATOM 315 CB ARG A 26 11.609 12.752 1.063 1.00 0.00 C ATOM 316 CG ARG A 26 12.547 11.961 0.165 1.00 0.00 C ATOM 317 CD ARG A 26 13.869 11.671 0.859 1.00 0.00 C ATOM 318 NE ARG A 26 14.679 12.876 1.016 1.00 0.00 N ATOM 319 CZ ARG A 26 15.394 13.415 0.035 1.00 0.00 C ATOM 320 NH1 ARG A 26 15.397 12.859 -1.169 1.00 0.00 N ATOM 321 NH2 ARG A 26 16.106 14.513 0.256 1.00 0.00 N ATOM 0 H ARG A 26 9.560 13.470 2.363 1.00 0.00 H new ATOM 0 HA ARG A 26 10.371 13.685 -0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.079 13.702 1.318 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.466 12.206 1.996 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.072 11.023 -0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.731 12.520 -0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.676 11.233 1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.426 10.932 0.284 1.00 0.00 H new ATOM 0 HE ARG A 26 14.697 13.329 1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.850 12.016 -1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.947 13.274 -1.921 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.105 14.944 1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.655 14.926 -0.498 1.00 0.00 H new ATOM 335 N LEU A 27 9.282 10.848 0.895 1.00 0.00 N ATOM 336 CA LEU A 27 8.679 9.560 0.568 1.00 0.00 C ATOM 337 C LEU A 27 7.601 9.719 -0.499 1.00 0.00 C ATOM 338 O LEU A 27 7.170 10.832 -0.800 1.00 0.00 O ATOM 339 CB LEU A 27 8.081 8.921 1.822 1.00 0.00 C ATOM 340 CG LEU A 27 7.573 7.487 1.668 1.00 0.00 C ATOM 341 CD1 LEU A 27 8.687 6.576 1.177 1.00 0.00 C ATOM 342 CD2 LEU A 27 7.007 6.977 2.986 1.00 0.00 C ATOM 0 H LEU A 27 9.414 11.011 1.893 1.00 0.00 H new ATOM 0 HA LEU A 27 9.461 8.910 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.836 8.935 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.254 9.543 2.163 1.00 0.00 H new ATOM 0 HG LEU A 27 6.774 7.483 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.307 5.560 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.047 6.929 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.507 6.585 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.650 5.955 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.786 6.996 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.179 7.614 3.297 1.00 0.00 H new ATOM 354 N SER A 28 7.167 8.597 -1.067 1.00 0.00 N ATOM 355 CA SER A 28 6.140 8.612 -2.101 1.00 0.00 C ATOM 356 C SER A 28 5.216 7.405 -1.967 1.00 0.00 C ATOM 357 O SER A 28 5.622 6.351 -1.477 1.00 0.00 O ATOM 358 CB SER A 28 6.784 8.624 -3.489 1.00 0.00 C ATOM 359 OG SER A 28 7.647 9.737 -3.641 1.00 0.00 O ATOM 0 H SER A 28 7.511 7.667 -0.828 1.00 0.00 H new ATOM 0 HA SER A 28 5.546 9.518 -1.976 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.345 7.702 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.008 8.655 -4.253 1.00 0.00 H new ATOM 0 HG SER A 28 8.047 9.721 -4.535 1.00 0.00 H new ATOM 365 N ILE A 29 3.973 7.568 -2.405 1.00 0.00 N ATOM 366 CA ILE A 29 2.991 6.492 -2.335 1.00 0.00 C ATOM 367 C ILE A 29 3.620 5.150 -2.693 1.00 0.00 C ATOM 368 O ILE A 29 3.420 4.154 -1.998 1.00 0.00 O ATOM 369 CB ILE A 29 1.800 6.755 -3.275 1.00 0.00 C ATOM 370 CG1 ILE A 29 0.804 5.596 -3.209 1.00 0.00 C ATOM 371 CG2 ILE A 29 2.287 6.961 -4.702 1.00 0.00 C ATOM 372 CD1 ILE A 29 -0.063 5.615 -1.969 1.00 0.00 C ATOM 0 H ILE A 29 3.621 8.434 -2.812 1.00 0.00 H new ATOM 0 HA ILE A 29 2.631 6.459 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 29 1.293 7.664 -2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.164 5.627 -4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.352 4.654 -3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.434 7.146 -5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.962 7.816 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.815 6.069 -5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.745 4.765 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.568 5.553 -1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.638 6.541 -1.941 1.00 0.00 H new ATOM 384 N ARG A 30 4.383 5.132 -3.781 1.00 0.00 N ATOM 385 CA ARG A 30 5.043 3.912 -4.231 1.00 0.00 C ATOM 386 C ARG A 30 5.970 3.365 -3.150 1.00 0.00 C ATOM 387 O ARG A 30 5.700 2.320 -2.558 1.00 0.00 O ATOM 388 CB ARG A 30 5.837 4.179 -5.512 1.00 0.00 C ATOM 389 CG ARG A 30 5.003 4.072 -6.778 1.00 0.00 C ATOM 390 CD ARG A 30 5.877 3.852 -8.003 1.00 0.00 C ATOM 391 NE ARG A 30 5.128 4.013 -9.246 1.00 0.00 N ATOM 392 CZ ARG A 30 5.699 4.108 -10.442 1.00 0.00 C ATOM 393 NH1 ARG A 30 7.019 4.059 -10.555 1.00 0.00 N ATOM 394 NH2 ARG A 30 4.949 4.253 -11.527 1.00 0.00 N ATOM 0 H ARG A 30 4.559 5.948 -4.367 1.00 0.00 H new ATOM 0 HA ARG A 30 4.274 3.167 -4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.274 5.176 -5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.664 3.472 -5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.296 3.248 -6.681 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.416 4.982 -6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.708 4.557 -7.987 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.307 2.851 -7.966 1.00 0.00 H new ATOM 0 HE ARG A 30 4.110 4.055 -9.193 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.598 3.948 -9.723 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.455 4.132 -11.474 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.933 4.292 -11.443 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.388 4.326 -12.445 1.00 0.00 H new ATOM 408 N ASP A 31 7.063 4.077 -2.899 1.00 0.00 N ATOM 409 CA ASP A 31 8.030 3.664 -1.889 1.00 0.00 C ATOM 410 C ASP A 31 7.332 2.988 -0.712 1.00 0.00 C ATOM 411 O ASP A 31 7.856 2.040 -0.127 1.00 0.00 O ATOM 412 CB ASP A 31 8.833 4.869 -1.397 1.00 0.00 C ATOM 413 CG ASP A 31 9.622 5.531 -2.509 1.00 0.00 C ATOM 414 OD1 ASP A 31 9.903 4.856 -3.522 1.00 0.00 O ATOM 415 OD2 ASP A 31 9.959 6.725 -2.368 1.00 0.00 O ATOM 0 H ASP A 31 7.302 4.943 -3.381 1.00 0.00 H new ATOM 0 HA ASP A 31 8.711 2.946 -2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.154 5.598 -0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.517 4.550 -0.610 1.00 0.00 H new ATOM 420 N HIS A 32 6.146 3.483 -0.371 1.00 0.00 N ATOM 421 CA HIS A 32 5.376 2.927 0.736 1.00 0.00 C ATOM 422 C HIS A 32 4.855 1.536 0.391 1.00 0.00 C ATOM 423 O HIS A 32 5.302 0.537 0.956 1.00 0.00 O ATOM 424 CB HIS A 32 4.208 3.850 1.087 1.00 0.00 C ATOM 425 CG HIS A 32 3.278 3.276 2.111 1.00 0.00 C ATOM 426 ND1 HIS A 32 3.650 3.037 3.417 1.00 0.00 N ATOM 427 CD2 HIS A 32 1.983 2.894 2.015 1.00 0.00 C ATOM 428 CE1 HIS A 32 2.626 2.532 4.079 1.00 0.00 C ATOM 429 NE2 HIS A 32 1.601 2.435 3.251 1.00 0.00 N ATOM 0 H HIS A 32 5.698 4.267 -0.845 1.00 0.00 H new ATOM 0 HA HIS A 32 6.036 2.844 1.600 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.602 4.797 1.456 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.645 4.071 0.180 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.573 3.222 3.810 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.365 2.942 1.130 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.626 2.247 5.121 1.00 0.00 H new ATOM 437 N ILE A 33 3.908 1.478 -0.539 1.00 0.00 N ATOM 438 CA ILE A 33 3.326 0.209 -0.959 1.00 0.00 C ATOM 439 C ILE A 33 4.410 -0.790 -1.350 1.00 0.00 C ATOM 440 O ILE A 33 4.166 -1.995 -1.413 1.00 0.00 O ATOM 441 CB ILE A 33 2.364 0.396 -2.147 1.00 0.00 C ATOM 442 CG1 ILE A 33 3.149 0.706 -3.423 1.00 0.00 C ATOM 443 CG2 ILE A 33 1.365 1.505 -1.850 1.00 0.00 C ATOM 444 CD1 ILE A 33 2.272 0.888 -4.642 1.00 0.00 C ATOM 0 H ILE A 33 3.527 2.295 -1.016 1.00 0.00 H new ATOM 0 HA ILE A 33 2.767 -0.179 -0.107 1.00 0.00 H new ATOM 0 HB ILE A 33 1.813 -0.532 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.735 1.612 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.855 -0.103 -3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.692 1.625 -2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.787 1.246 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.899 2.439 -1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.895 1.105 -5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.705 -0.025 -4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.583 1.716 -4.474 1.00 0.00 H new ATOM 456 N PHE A 34 5.610 -0.281 -1.610 1.00 0.00 N ATOM 457 CA PHE A 34 6.733 -1.128 -1.994 1.00 0.00 C ATOM 458 C PHE A 34 7.487 -1.622 -0.763 1.00 0.00 C ATOM 459 O PHE A 34 8.676 -1.935 -0.835 1.00 0.00 O ATOM 460 CB PHE A 34 7.685 -0.362 -2.916 1.00 0.00 C ATOM 461 CG PHE A 34 7.350 -0.503 -4.374 1.00 0.00 C ATOM 462 CD1 PHE A 34 7.803 -1.593 -5.100 1.00 0.00 C ATOM 463 CD2 PHE A 34 6.582 0.454 -5.017 1.00 0.00 C ATOM 464 CE1 PHE A 34 7.497 -1.725 -6.441 1.00 0.00 C ATOM 465 CE2 PHE A 34 6.273 0.327 -6.359 1.00 0.00 C ATOM 466 CZ PHE A 34 6.730 -0.764 -7.071 1.00 0.00 C ATOM 0 H PHE A 34 5.829 0.714 -1.562 1.00 0.00 H new ATOM 0 HA PHE A 34 6.338 -1.992 -2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.667 0.694 -2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.703 -0.716 -2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.402 -2.348 -4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.221 1.309 -4.464 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.857 -2.579 -6.996 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.675 1.081 -6.850 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.488 -0.866 -8.119 1.00 0.00 H new ATOM 476 N SER A 35 6.788 -1.689 0.365 1.00 0.00 N ATOM 477 CA SER A 35 7.391 -2.141 1.613 1.00 0.00 C ATOM 478 C SER A 35 6.431 -3.040 2.386 1.00 0.00 C ATOM 479 O SER A 35 5.264 -2.701 2.579 1.00 0.00 O ATOM 480 CB SER A 35 7.790 -0.941 2.475 1.00 0.00 C ATOM 481 OG SER A 35 9.106 -0.511 2.172 1.00 0.00 O ATOM 0 H SER A 35 5.803 -1.436 0.440 1.00 0.00 H new ATOM 0 HA SER A 35 8.284 -2.717 1.369 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.090 -0.122 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.725 -1.209 3.530 1.00 0.00 H new ATOM 0 HG SER A 35 9.337 0.258 2.735 1.00 0.00 H new ATOM 487 N LYS A 36 6.933 -4.189 2.826 1.00 0.00 N ATOM 488 CA LYS A 36 6.123 -5.139 3.580 1.00 0.00 C ATOM 489 C LYS A 36 5.141 -4.412 4.493 1.00 0.00 C ATOM 490 O LYS A 36 3.980 -4.805 4.609 1.00 0.00 O ATOM 491 CB LYS A 36 7.020 -6.061 4.409 1.00 0.00 C ATOM 492 CG LYS A 36 6.383 -7.402 4.729 1.00 0.00 C ATOM 493 CD LYS A 36 5.422 -7.297 5.902 1.00 0.00 C ATOM 494 CE LYS A 36 5.225 -8.643 6.583 1.00 0.00 C ATOM 495 NZ LYS A 36 6.449 -9.082 7.308 1.00 0.00 N ATOM 0 H LYS A 36 7.897 -4.485 2.673 1.00 0.00 H new ATOM 0 HA LYS A 36 5.555 -5.739 2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.951 -6.230 3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.279 -5.560 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.850 -7.771 3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.161 -8.130 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.805 -6.575 6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.460 -6.920 5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.392 -8.577 7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.956 -9.391 5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.192 -9.785 8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.118 -9.506 6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.893 -8.262 7.767 1.00 0.00 H new ATOM 509 N GLN A 37 5.614 -3.351 5.138 1.00 0.00 N ATOM 510 CA GLN A 37 4.776 -2.569 6.040 1.00 0.00 C ATOM 511 C GLN A 37 3.376 -2.386 5.461 1.00 0.00 C ATOM 512 O GLN A 37 2.378 -2.692 6.115 1.00 0.00 O ATOM 513 CB GLN A 37 5.412 -1.205 6.308 1.00 0.00 C ATOM 514 CG GLN A 37 4.813 -0.477 7.501 1.00 0.00 C ATOM 515 CD GLN A 37 5.344 -0.992 8.825 1.00 0.00 C ATOM 516 OE1 GLN A 37 5.870 -2.102 8.906 1.00 0.00 O ATOM 517 NE2 GLN A 37 5.208 -0.186 9.871 1.00 0.00 N ATOM 0 H GLN A 37 6.573 -3.013 5.053 1.00 0.00 H new ATOM 0 HA GLN A 37 4.692 -3.113 6.981 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.481 -1.338 6.474 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.302 -0.582 5.420 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.028 0.588 7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.729 -0.586 7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.765 0.726 9.758 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.546 -0.479 10.788 1.00 0.00 H new ATOM 526 N HIS A 38 3.311 -1.884 4.232 1.00 0.00 N ATOM 527 CA HIS A 38 2.033 -1.660 3.565 1.00 0.00 C ATOM 528 C HIS A 38 1.355 -2.986 3.231 1.00 0.00 C ATOM 529 O HIS A 38 0.226 -3.239 3.651 1.00 0.00 O ATOM 530 CB HIS A 38 2.236 -0.842 2.290 1.00 0.00 C ATOM 531 CG HIS A 38 1.004 -0.734 1.445 1.00 0.00 C ATOM 532 ND1 HIS A 38 0.182 0.373 1.451 1.00 0.00 N ATOM 533 CD2 HIS A 38 0.457 -1.603 0.563 1.00 0.00 C ATOM 534 CE1 HIS A 38 -0.818 0.180 0.610 1.00 0.00 C ATOM 535 NE2 HIS A 38 -0.675 -1.011 0.058 1.00 0.00 N ATOM 0 H HIS A 38 4.127 -1.625 3.678 1.00 0.00 H new ATOM 0 HA HIS A 38 1.388 -1.104 4.245 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.570 0.160 2.560 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.033 -1.296 1.700 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.839 -2.579 0.305 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.617 0.878 0.408 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.303 -1.424 -0.631 1.00 0.00 H new ATOM 543 N ILE A 39 2.051 -3.826 2.473 1.00 0.00 N ATOM 544 CA ILE A 39 1.516 -5.125 2.083 1.00 0.00 C ATOM 545 C ILE A 39 0.714 -5.752 3.218 1.00 0.00 C ATOM 546 O ILE A 39 -0.458 -6.089 3.052 1.00 0.00 O ATOM 547 CB ILE A 39 2.638 -6.093 1.665 1.00 0.00 C ATOM 548 CG1 ILE A 39 3.198 -5.699 0.297 1.00 0.00 C ATOM 549 CG2 ILE A 39 2.120 -7.524 1.639 1.00 0.00 C ATOM 550 CD1 ILE A 39 4.355 -4.728 0.375 1.00 0.00 C ATOM 0 H ILE A 39 2.987 -3.631 2.117 1.00 0.00 H new ATOM 0 HA ILE A 39 0.860 -4.953 1.230 1.00 0.00 H new ATOM 0 HB ILE A 39 3.443 -6.031 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.523 -6.598 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.401 -5.255 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.924 -8.197 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.764 -7.800 2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.300 -7.601 0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.701 -4.493 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.029 -3.813 0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.169 -5.177 0.943 1.00 0.00 H new ATOM 562 N SER A 40 1.354 -5.904 4.373 1.00 0.00 N ATOM 563 CA SER A 40 0.702 -6.493 5.537 1.00 0.00 C ATOM 564 C SER A 40 -0.732 -5.990 5.668 1.00 0.00 C ATOM 565 O SER A 40 -1.682 -6.774 5.657 1.00 0.00 O ATOM 566 CB SER A 40 1.488 -6.166 6.808 1.00 0.00 C ATOM 567 OG SER A 40 0.772 -6.562 7.966 1.00 0.00 O ATOM 0 H SER A 40 2.324 -5.627 4.528 1.00 0.00 H new ATOM 0 HA SER A 40 0.678 -7.574 5.402 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.453 -6.672 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.690 -5.096 6.849 1.00 0.00 H new ATOM 0 HG SER A 40 1.296 -6.344 8.765 1.00 0.00 H new ATOM 573 N LYS A 41 -0.882 -4.676 5.792 1.00 0.00 N ATOM 574 CA LYS A 41 -2.200 -4.065 5.925 1.00 0.00 C ATOM 575 C LYS A 41 -3.129 -4.527 4.807 1.00 0.00 C ATOM 576 O LYS A 41 -4.304 -4.810 5.040 1.00 0.00 O ATOM 577 CB LYS A 41 -2.081 -2.539 5.905 1.00 0.00 C ATOM 578 CG LYS A 41 -3.215 -1.832 6.626 1.00 0.00 C ATOM 579 CD LYS A 41 -3.056 -1.917 8.135 1.00 0.00 C ATOM 580 CE LYS A 41 -4.167 -1.168 8.856 1.00 0.00 C ATOM 581 NZ LYS A 41 -4.001 -1.219 10.335 1.00 0.00 N ATOM 0 H LYS A 41 -0.107 -4.013 5.803 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.624 -4.379 6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.135 -2.251 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.051 -2.199 4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.245 -0.786 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.166 -2.277 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.060 -2.962 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.090 -1.503 8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.177 -0.129 8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.131 -1.598 8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.777 -0.697 10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.017 -2.209 10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.093 -0.786 10.598 1.00 0.00 H new ATOM 595 N VAL A 42 -2.594 -4.602 3.592 1.00 0.00 N ATOM 596 CA VAL A 42 -3.375 -5.033 2.438 1.00 0.00 C ATOM 597 C VAL A 42 -3.866 -6.466 2.611 1.00 0.00 C ATOM 598 O VAL A 42 -5.028 -6.771 2.341 1.00 0.00 O ATOM 599 CB VAL A 42 -2.555 -4.936 1.138 1.00 0.00 C ATOM 600 CG1 VAL A 42 -3.394 -5.366 -0.056 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.025 -3.523 0.946 1.00 0.00 C ATOM 0 H VAL A 42 -1.623 -4.370 3.381 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.233 -4.364 2.368 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.703 -5.611 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.798 -5.291 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.719 -6.397 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.267 -4.718 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.448 -3.473 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.861 -2.825 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.386 -3.257 1.788 1.00 0.00 H new ATOM 611 N ARG A 43 -2.974 -7.341 3.063 1.00 0.00 N ATOM 612 CA ARG A 43 -3.317 -8.742 3.271 1.00 0.00 C ATOM 613 C ARG A 43 -4.373 -8.887 4.363 1.00 0.00 C ATOM 614 O ARG A 43 -5.211 -9.787 4.313 1.00 0.00 O ATOM 615 CB ARG A 43 -2.069 -9.545 3.645 1.00 0.00 C ATOM 616 CG ARG A 43 -1.024 -9.593 2.542 1.00 0.00 C ATOM 617 CD ARG A 43 -1.471 -10.478 1.389 1.00 0.00 C ATOM 618 NE ARG A 43 -2.254 -9.737 0.403 1.00 0.00 N ATOM 619 CZ ARG A 43 -2.368 -10.102 -0.869 1.00 0.00 C ATOM 620 NH1 ARG A 43 -1.754 -11.192 -1.307 1.00 0.00 N ATOM 621 NH2 ARG A 43 -3.098 -9.376 -1.706 1.00 0.00 N ATOM 0 H ARG A 43 -2.009 -7.104 3.292 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.726 -9.132 2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.622 -9.111 4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.365 -10.563 3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.834 -8.584 2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.084 -9.968 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.596 -10.913 0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.065 -11.306 1.776 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.740 -8.893 0.708 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.192 -11.753 -0.667 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.843 -11.470 -2.284 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.572 -8.537 -1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.185 -9.657 -2.683 1.00 0.00 H new ATOM 635 N GLU A 44 -4.325 -7.995 5.348 1.00 0.00 N ATOM 636 CA GLU A 44 -5.278 -8.026 6.452 1.00 0.00 C ATOM 637 C GLU A 44 -6.695 -7.755 5.955 1.00 0.00 C ATOM 638 O GLU A 44 -7.592 -8.583 6.119 1.00 0.00 O ATOM 639 CB GLU A 44 -4.892 -6.995 7.515 1.00 0.00 C ATOM 640 CG GLU A 44 -3.585 -7.310 8.222 1.00 0.00 C ATOM 641 CD GLU A 44 -3.196 -6.246 9.230 1.00 0.00 C ATOM 642 OE1 GLU A 44 -3.467 -5.055 8.971 1.00 0.00 O ATOM 643 OE2 GLU A 44 -2.620 -6.605 10.279 1.00 0.00 O ATOM 0 H GLU A 44 -3.638 -7.243 5.404 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.252 -9.022 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.814 -6.014 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.690 -6.933 8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.673 -8.271 8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.791 -7.412 7.482 1.00 0.00 H new ATOM 650 N THR A 45 -6.890 -6.589 5.347 1.00 0.00 N ATOM 651 CA THR A 45 -8.197 -6.207 4.828 1.00 0.00 C ATOM 652 C THR A 45 -8.759 -7.284 3.907 1.00 0.00 C ATOM 653 O THR A 45 -9.934 -7.641 3.997 1.00 0.00 O ATOM 654 CB THR A 45 -8.129 -4.874 4.059 1.00 0.00 C ATOM 655 OG1 THR A 45 -9.417 -4.551 3.523 1.00 0.00 O ATOM 656 CG2 THR A 45 -7.110 -4.952 2.932 1.00 0.00 C ATOM 0 H THR A 45 -6.159 -5.893 5.202 1.00 0.00 H new ATOM 0 HA THR A 45 -8.856 -6.088 5.688 1.00 0.00 H new ATOM 0 HB THR A 45 -7.820 -4.094 4.754 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.365 -3.702 3.037 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.079 -4.000 2.403 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.125 -5.169 3.346 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.394 -5.743 2.238 1.00 0.00 H new ATOM 664 N VAL A 46 -7.913 -7.799 3.021 1.00 0.00 N ATOM 665 CA VAL A 46 -8.325 -8.838 2.085 1.00 0.00 C ATOM 666 C VAL A 46 -7.234 -9.888 1.914 1.00 0.00 C ATOM 667 O VAL A 46 -6.058 -9.559 1.763 1.00 0.00 O ATOM 668 CB VAL A 46 -8.672 -8.245 0.706 1.00 0.00 C ATOM 669 CG1 VAL A 46 -7.510 -7.421 0.172 1.00 0.00 C ATOM 670 CG2 VAL A 46 -9.046 -9.350 -0.270 1.00 0.00 C ATOM 0 H VAL A 46 -6.938 -7.514 2.932 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.214 -9.308 2.505 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.532 -7.585 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.773 -7.010 -0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.294 -6.606 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.629 -8.056 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.288 -8.913 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.207 -10.037 -0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.911 -9.893 0.110 1.00 0.00 H new ATOM 680 N GLY A 47 -7.632 -11.157 1.937 1.00 0.00 N ATOM 681 CA GLY A 47 -6.675 -12.238 1.783 1.00 0.00 C ATOM 682 C GLY A 47 -7.100 -13.242 0.731 1.00 0.00 C ATOM 683 O GLY A 47 -8.156 -13.097 0.114 1.00 0.00 O ATOM 0 H GLY A 47 -8.600 -11.456 2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.703 -11.824 1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.551 -12.748 2.738 1.00 0.00 H new ATOM 687 N SER A 48 -6.275 -14.264 0.523 1.00 0.00 N ATOM 688 CA SER A 48 -6.569 -15.294 -0.467 1.00 0.00 C ATOM 689 C SER A 48 -7.754 -16.148 -0.027 1.00 0.00 C ATOM 690 O SER A 48 -7.625 -17.002 0.850 1.00 0.00 O ATOM 691 CB SER A 48 -5.342 -16.180 -0.691 1.00 0.00 C ATOM 692 OG SER A 48 -4.301 -15.459 -1.327 1.00 0.00 O ATOM 0 H SER A 48 -5.399 -14.401 1.026 1.00 0.00 H new ATOM 0 HA SER A 48 -6.828 -14.800 -1.404 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.989 -16.566 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.617 -17.041 -1.301 1.00 0.00 H new ATOM 0 HG SER A 48 -3.528 -16.047 -1.457 1.00 0.00 H new ATOM 698 N GLN A 49 -8.907 -15.910 -0.643 1.00 0.00 N ATOM 699 CA GLN A 49 -10.116 -16.657 -0.315 1.00 0.00 C ATOM 700 C GLN A 49 -9.873 -18.159 -0.417 1.00 0.00 C ATOM 701 O GLN A 49 -10.307 -18.929 0.441 1.00 0.00 O ATOM 702 CB GLN A 49 -11.261 -16.249 -1.244 1.00 0.00 C ATOM 703 CG GLN A 49 -12.021 -15.021 -0.770 1.00 0.00 C ATOM 704 CD GLN A 49 -12.955 -15.322 0.385 1.00 0.00 C ATOM 705 OE1 GLN A 49 -14.006 -15.937 0.205 1.00 0.00 O ATOM 706 NE2 GLN A 49 -12.575 -14.889 1.582 1.00 0.00 N ATOM 0 H GLN A 49 -9.030 -15.207 -1.371 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.390 -16.421 0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.859 -16.056 -2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.957 -17.083 -1.337 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.310 -14.253 -0.466 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.596 -14.612 -1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.695 -14.383 1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.163 -15.063 2.397 1.00 0.00 H new ATOM 715 N LEU A 50 -9.177 -18.570 -1.471 1.00 0.00 N ATOM 716 CA LEU A 50 -8.875 -19.981 -1.687 1.00 0.00 C ATOM 717 C LEU A 50 -8.001 -20.528 -0.564 1.00 0.00 C ATOM 718 O LEU A 50 -6.777 -20.391 -0.593 1.00 0.00 O ATOM 719 CB LEU A 50 -8.176 -20.174 -3.033 1.00 0.00 C ATOM 720 CG LEU A 50 -8.405 -21.520 -3.721 1.00 0.00 C ATOM 721 CD1 LEU A 50 -7.932 -21.468 -5.166 1.00 0.00 C ATOM 722 CD2 LEU A 50 -7.693 -22.633 -2.966 1.00 0.00 C ATOM 0 H LEU A 50 -8.811 -17.946 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.816 -20.532 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.505 -19.383 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.104 -20.042 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.474 -21.731 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.103 -22.435 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.486 -20.698 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.868 -21.234 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.867 -23.584 -3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.623 -22.427 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.078 -22.686 -1.948 1.00 0.00 H new ATOM 734 N ASP A 51 -8.635 -21.150 0.424 1.00 0.00 N ATOM 735 CA ASP A 51 -7.914 -21.722 1.556 1.00 0.00 C ATOM 736 C ASP A 51 -7.582 -23.189 1.303 1.00 0.00 C ATOM 737 O ASP A 51 -6.624 -23.724 1.861 1.00 0.00 O ATOM 738 CB ASP A 51 -8.741 -21.586 2.835 1.00 0.00 C ATOM 739 CG ASP A 51 -8.902 -20.143 3.271 1.00 0.00 C ATOM 740 OD1 ASP A 51 -7.892 -19.529 3.676 1.00 0.00 O ATOM 741 OD2 ASP A 51 -10.036 -19.626 3.205 1.00 0.00 O ATOM 0 H ASP A 51 -9.647 -21.271 0.464 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.980 -21.173 1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.725 -22.026 2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.264 -22.153 3.634 1.00 0.00 H new ATOM 746 N ARG A 52 -8.381 -23.835 0.460 1.00 0.00 N ATOM 747 CA ARG A 52 -8.173 -25.241 0.136 1.00 0.00 C ATOM 748 C ARG A 52 -6.690 -25.539 -0.067 1.00 0.00 C ATOM 749 O ARG A 52 -6.023 -24.895 -0.876 1.00 0.00 O ATOM 750 CB ARG A 52 -8.956 -25.617 -1.124 1.00 0.00 C ATOM 751 CG ARG A 52 -10.444 -25.808 -0.881 1.00 0.00 C ATOM 752 CD ARG A 52 -10.770 -27.249 -0.520 1.00 0.00 C ATOM 753 NE ARG A 52 -12.120 -27.387 0.019 1.00 0.00 N ATOM 754 CZ ARG A 52 -12.815 -28.518 -0.020 1.00 0.00 C ATOM 755 NH1 ARG A 52 -12.289 -29.604 -0.569 1.00 0.00 N ATOM 756 NH2 ARG A 52 -14.038 -28.565 0.492 1.00 0.00 N ATOM 0 H ARG A 52 -9.178 -23.407 -0.011 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.535 -25.838 0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.816 -24.839 -1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.543 -26.537 -1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.770 -25.148 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.999 -25.521 -1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.668 -27.876 -1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.049 -27.611 0.213 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.553 -26.570 0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.349 -29.572 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.825 -30.472 -0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.446 -27.732 0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.571 -29.434 0.461 1.00 0.00 H new ATOM 770 N GLU A 53 -6.182 -26.518 0.675 1.00 0.00 N ATOM 771 CA GLU A 53 -4.778 -26.899 0.578 1.00 0.00 C ATOM 772 C GLU A 53 -4.556 -27.866 -0.582 1.00 0.00 C ATOM 773 O GLU A 53 -5.383 -28.740 -0.844 1.00 0.00 O ATOM 774 CB GLU A 53 -4.308 -27.538 1.886 1.00 0.00 C ATOM 775 CG GLU A 53 -5.052 -28.814 2.242 1.00 0.00 C ATOM 776 CD GLU A 53 -4.502 -30.030 1.523 1.00 0.00 C ATOM 777 OE1 GLU A 53 -3.263 -30.151 1.425 1.00 0.00 O ATOM 778 OE2 GLU A 53 -5.310 -30.861 1.058 1.00 0.00 O ATOM 0 H GLU A 53 -6.721 -27.061 1.349 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.195 -25.997 0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.243 -27.757 1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.429 -26.819 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.994 -28.976 3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.107 -28.696 1.994 1.00 0.00 H new ATOM 785 N LYS A 54 -3.433 -27.704 -1.273 1.00 0.00 N ATOM 786 CA LYS A 54 -3.100 -28.561 -2.405 1.00 0.00 C ATOM 787 C LYS A 54 -1.605 -28.862 -2.438 1.00 0.00 C ATOM 788 O LYS A 54 -0.787 -28.035 -2.033 1.00 0.00 O ATOM 789 CB LYS A 54 -3.527 -27.899 -3.717 1.00 0.00 C ATOM 790 CG LYS A 54 -3.394 -28.806 -4.928 1.00 0.00 C ATOM 791 CD LYS A 54 -4.435 -29.912 -4.913 1.00 0.00 C ATOM 792 CE LYS A 54 -5.714 -29.484 -5.617 1.00 0.00 C ATOM 793 NZ LYS A 54 -6.493 -30.652 -6.112 1.00 0.00 N ATOM 0 H LYS A 54 -2.737 -26.987 -1.069 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.640 -29.501 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.564 -27.574 -3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.925 -27.005 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.501 -28.217 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.396 -29.244 -4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.031 -30.800 -5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.660 -30.187 -3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.329 -28.902 -4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.467 -28.832 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.357 -30.318 -6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.916 -31.193 -6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.752 -31.262 -5.310 1.00 0.00 H new ATOM 807 N ASP A 55 -1.255 -30.047 -2.923 1.00 0.00 N ATOM 808 CA ASP A 55 0.142 -30.456 -3.012 1.00 0.00 C ATOM 809 C ASP A 55 0.463 -30.997 -4.401 1.00 0.00 C ATOM 810 O ASP A 55 -0.413 -31.089 -5.260 1.00 0.00 O ATOM 811 CB ASP A 55 0.454 -31.514 -1.953 1.00 0.00 C ATOM 812 CG ASP A 55 -0.357 -32.781 -2.144 1.00 0.00 C ATOM 813 OD1 ASP A 55 -1.518 -32.815 -1.688 1.00 0.00 O ATOM 814 OD2 ASP A 55 0.171 -33.738 -2.749 1.00 0.00 O ATOM 0 H ASP A 55 -1.920 -30.743 -3.261 1.00 0.00 H new ATOM 0 HA ASP A 55 0.764 -29.579 -2.832 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.516 -31.757 -1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.254 -31.103 -0.963 1.00 0.00 H new TER 819 ASP A 55 HETATM 820 ZN ZN A 201 -0.185 1.607 3.038 1.00 0.00 ZN