USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 441 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 40 HIS HD1 : A 40 HIS ND1 : A 401 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 24:sc= 0.335 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 8 HIS : no HD1:sc= 0.08 K(o=0.08,f=-1.4) USER MOD Single : A 10 MET CE :methyl -117:sc= -3.92 (180deg=-7.63!) USER MOD Single : A 12 LYS NZ :NH3+ -146:sc= -0.0525 (180deg=-0.905) USER MOD Single : A 14 HIS : no HD1:sc= -2.8 K(o=-2.8,f=-1.9) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0688 K(o=-0.069,f=-1.4!) USER MOD Single : A 22 TYR OH : rot 180:sc=-0.00627 USER MOD Single : A 25 THR OG1 : rot -130:sc= -0.83 USER MOD Single : A 30 THR OG1 : rot 41:sc= 0.0729 USER MOD Single : A 32 SER OG : rot 180:sc= -1.47 USER MOD Single : A 33 MET CE :methyl -129:sc= -2.36 (180deg=-7.39!) USER MOD Single : A 35 LYS NZ :NH3+ -117:sc= 0.459 (180deg=-0.0147) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.85 K(o=-1.8,f=-6.6!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 55 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.25) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0053 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.170 -1.636 10.465 1.00 0.00 N ATOM 2 CA GLY A 1 28.748 -2.720 9.693 1.00 0.00 C ATOM 3 C GLY A 1 27.809 -3.903 9.560 1.00 0.00 C ATOM 4 O GLY A 1 28.108 -4.998 10.036 1.00 0.00 O ATOM 0 H1 GLY A 1 28.851 -0.852 10.527 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.301 -1.304 10.000 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.943 -1.974 11.422 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.010 -2.355 8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.674 -3.046 10.167 1.00 0.00 H new ATOM 8 N SER A 2 26.670 -3.682 8.912 1.00 0.00 N ATOM 9 CA SER A 2 25.681 -4.737 8.723 1.00 0.00 C ATOM 10 C SER A 2 25.285 -4.852 7.254 1.00 0.00 C ATOM 11 O SER A 2 24.370 -4.171 6.791 1.00 0.00 O ATOM 12 CB SER A 2 24.442 -4.462 9.577 1.00 0.00 C ATOM 13 OG SER A 2 24.660 -4.834 10.927 1.00 0.00 O ATOM 0 H SER A 2 26.409 -2.782 8.509 1.00 0.00 H new ATOM 0 HA SER A 2 26.127 -5.681 9.036 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.188 -3.403 9.525 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.591 -5.014 9.177 1.00 0.00 H new ATOM 0 HG SER A 2 23.854 -4.647 11.452 1.00 0.00 H new ATOM 19 N SER A 3 25.981 -5.720 6.526 1.00 0.00 N ATOM 20 CA SER A 3 25.705 -5.924 5.109 1.00 0.00 C ATOM 21 C SER A 3 25.930 -7.381 4.716 1.00 0.00 C ATOM 22 O SER A 3 27.024 -7.919 4.882 1.00 0.00 O ATOM 23 CB SER A 3 26.592 -5.012 4.259 1.00 0.00 C ATOM 24 OG SER A 3 27.965 -5.280 4.485 1.00 0.00 O ATOM 0 H SER A 3 26.740 -6.293 6.894 1.00 0.00 H new ATOM 0 HA SER A 3 24.660 -5.674 4.928 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.360 -5.154 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.378 -3.969 4.495 1.00 0.00 H new ATOM 0 HG SER A 3 28.070 -6.198 4.811 1.00 0.00 H new ATOM 30 N GLY A 4 24.885 -8.014 4.192 1.00 0.00 N ATOM 31 CA GLY A 4 24.987 -9.402 3.782 1.00 0.00 C ATOM 32 C GLY A 4 23.631 -10.054 3.599 1.00 0.00 C ATOM 33 O GLY A 4 23.417 -10.796 2.640 1.00 0.00 O ATOM 0 H GLY A 4 23.969 -7.590 4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.544 -9.461 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.556 -9.957 4.528 1.00 0.00 H new ATOM 37 N SER A 5 22.714 -9.779 4.520 1.00 0.00 N ATOM 38 CA SER A 5 21.373 -10.348 4.458 1.00 0.00 C ATOM 39 C SER A 5 20.528 -9.635 3.407 1.00 0.00 C ATOM 40 O SER A 5 20.206 -8.456 3.550 1.00 0.00 O ATOM 41 CB SER A 5 20.693 -10.255 5.826 1.00 0.00 C ATOM 42 OG SER A 5 21.299 -11.135 6.757 1.00 0.00 O ATOM 0 H SER A 5 22.875 -9.165 5.319 1.00 0.00 H new ATOM 0 HA SER A 5 21.463 -11.397 4.175 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.752 -9.232 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.635 -10.497 5.727 1.00 0.00 H new ATOM 0 HG SER A 5 20.848 -11.056 7.623 1.00 0.00 H new ATOM 48 N SER A 6 20.172 -10.360 2.352 1.00 0.00 N ATOM 49 CA SER A 6 19.367 -9.797 1.274 1.00 0.00 C ATOM 50 C SER A 6 17.953 -10.370 1.295 1.00 0.00 C ATOM 51 O SER A 6 17.762 -11.583 1.229 1.00 0.00 O ATOM 52 CB SER A 6 20.022 -10.077 -0.080 1.00 0.00 C ATOM 53 OG SER A 6 21.151 -9.244 -0.282 1.00 0.00 O ATOM 0 H SER A 6 20.428 -11.339 2.220 1.00 0.00 H new ATOM 0 HA SER A 6 19.306 -8.719 1.425 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.324 -11.123 -0.132 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.298 -9.914 -0.878 1.00 0.00 H new ATOM 0 HG SER A 6 21.553 -9.443 -1.153 1.00 0.00 H new ATOM 59 N GLY A 7 16.965 -9.485 1.389 1.00 0.00 N ATOM 60 CA GLY A 7 15.580 -9.921 1.418 1.00 0.00 C ATOM 61 C GLY A 7 14.638 -8.897 0.815 1.00 0.00 C ATOM 62 O GLY A 7 15.014 -8.156 -0.094 1.00 0.00 O ATOM 0 H GLY A 7 17.098 -8.475 1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.487 -10.861 0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.286 -10.119 2.449 1.00 0.00 H new ATOM 66 N HIS A 8 13.409 -8.857 1.320 1.00 0.00 N ATOM 67 CA HIS A 8 12.410 -7.917 0.824 1.00 0.00 C ATOM 68 C HIS A 8 12.873 -6.477 1.022 1.00 0.00 C ATOM 69 O HIS A 8 13.646 -6.167 1.929 1.00 0.00 O ATOM 70 CB HIS A 8 11.074 -8.139 1.536 1.00 0.00 C ATOM 71 CG HIS A 8 10.511 -9.512 1.339 1.00 0.00 C ATOM 72 ND1 HIS A 8 11.053 -10.638 1.922 1.00 0.00 N ATOM 73 CD2 HIS A 8 9.447 -9.938 0.619 1.00 0.00 C ATOM 74 CE1 HIS A 8 10.347 -11.697 1.568 1.00 0.00 C ATOM 75 NE2 HIS A 8 9.366 -11.299 0.778 1.00 0.00 N ATOM 0 H HIS A 8 13.081 -9.464 2.071 1.00 0.00 H new ATOM 0 HA HIS A 8 12.278 -8.093 -0.244 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.206 -7.959 2.603 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.353 -7.405 1.176 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.785 -9.322 0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.539 -12.715 1.873 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.663 -11.905 0.355 1.00 0.00 H new ATOM 83 N PRO A 9 12.391 -5.576 0.154 1.00 0.00 N ATOM 84 CA PRO A 9 12.742 -4.154 0.213 1.00 0.00 C ATOM 85 C PRO A 9 12.134 -3.456 1.425 1.00 0.00 C ATOM 86 O PRO A 9 11.094 -3.871 1.935 1.00 0.00 O ATOM 87 CB PRO A 9 12.151 -3.588 -1.081 1.00 0.00 C ATOM 88 CG PRO A 9 11.034 -4.514 -1.423 1.00 0.00 C ATOM 89 CD PRO A 9 11.465 -5.875 -0.952 1.00 0.00 C ATOM 0 HA PRO A 9 13.817 -4.004 0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.791 -2.569 -0.940 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.896 -3.556 -1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.109 -4.207 -0.935 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.843 -4.515 -2.496 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.617 -6.471 -0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.956 -6.438 -1.746 1.00 0.00 H new ATOM 97 N MET A 10 12.790 -2.394 1.881 1.00 0.00 N ATOM 98 CA MET A 10 12.313 -1.638 3.034 1.00 0.00 C ATOM 99 C MET A 10 11.874 -0.237 2.620 1.00 0.00 C ATOM 100 O MET A 10 12.081 0.178 1.480 1.00 0.00 O ATOM 101 CB MET A 10 13.406 -1.549 4.101 1.00 0.00 C ATOM 102 CG MET A 10 14.360 -0.383 3.898 1.00 0.00 C ATOM 103 SD MET A 10 15.394 -0.073 5.342 1.00 0.00 S ATOM 104 CE MET A 10 14.150 0.308 6.573 1.00 0.00 C ATOM 0 H MET A 10 13.653 -2.037 1.470 1.00 0.00 H new ATOM 0 HA MET A 10 11.452 -2.162 3.450 1.00 0.00 H new ATOM 0 HB2 MET A 10 12.939 -1.459 5.082 1.00 0.00 H new ATOM 0 HB3 MET A 10 13.976 -2.478 4.104 1.00 0.00 H new ATOM 0 HG2 MET A 10 14.997 -0.585 3.037 1.00 0.00 H new ATOM 0 HG3 MET A 10 13.787 0.515 3.667 1.00 0.00 H new ATOM 0 HE1 MET A 10 14.281 1.334 6.917 1.00 0.00 H new ATOM 0 HE2 MET A 10 13.158 0.195 6.135 1.00 0.00 H new ATOM 0 HE3 MET A 10 14.253 -0.373 7.417 1.00 0.00 H new ATOM 114 N CYS A 11 11.267 0.487 3.554 1.00 0.00 N ATOM 115 CA CYS A 11 10.798 1.842 3.288 1.00 0.00 C ATOM 116 C CYS A 11 11.967 2.822 3.235 1.00 0.00 C ATOM 117 O CYS A 11 12.632 3.066 4.242 1.00 0.00 O ATOM 118 CB CYS A 11 9.800 2.279 4.361 1.00 0.00 C ATOM 119 SG CYS A 11 8.833 3.759 3.920 1.00 0.00 S ATOM 0 H CYS A 11 11.088 0.158 4.503 1.00 0.00 H new ATOM 0 HA CYS A 11 10.301 1.843 2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.114 1.456 4.560 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.341 2.474 5.287 1.00 0.00 H new ATOM 124 N LYS A 12 12.211 3.380 2.055 1.00 0.00 N ATOM 125 CA LYS A 12 13.297 4.335 1.869 1.00 0.00 C ATOM 126 C LYS A 12 13.174 5.497 2.850 1.00 0.00 C ATOM 127 O LYS A 12 14.150 5.884 3.492 1.00 0.00 O ATOM 128 CB LYS A 12 13.300 4.863 0.433 1.00 0.00 C ATOM 129 CG LYS A 12 14.057 3.976 -0.540 1.00 0.00 C ATOM 130 CD LYS A 12 14.203 4.638 -1.900 1.00 0.00 C ATOM 131 CE LYS A 12 15.483 5.454 -1.988 1.00 0.00 C ATOM 132 NZ LYS A 12 15.290 6.844 -1.490 1.00 0.00 N ATOM 0 H LYS A 12 11.671 3.187 1.212 1.00 0.00 H new ATOM 0 HA LYS A 12 14.238 3.819 2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.270 4.967 0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.742 5.859 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.044 3.751 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.534 3.026 -0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.202 3.876 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.345 5.284 -2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.266 4.966 -1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.825 5.483 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.887 7.495 -2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.292 7.115 -1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.557 6.893 -0.486 1.00 0.00 H new ATOM 146 N GLU A 13 11.969 6.047 2.960 1.00 0.00 N ATOM 147 CA GLU A 13 11.720 7.164 3.863 1.00 0.00 C ATOM 148 C GLU A 13 12.296 6.883 5.248 1.00 0.00 C ATOM 149 O GLU A 13 12.953 7.737 5.844 1.00 0.00 O ATOM 150 CB GLU A 13 10.218 7.438 3.970 1.00 0.00 C ATOM 151 CG GLU A 13 9.872 8.567 4.925 1.00 0.00 C ATOM 152 CD GLU A 13 10.004 9.935 4.285 1.00 0.00 C ATOM 153 OE1 GLU A 13 9.784 10.041 3.060 1.00 0.00 O ATOM 154 OE2 GLU A 13 10.328 10.900 5.009 1.00 0.00 O ATOM 0 H GLU A 13 11.151 5.738 2.436 1.00 0.00 H new ATOM 0 HA GLU A 13 12.215 8.045 3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.830 7.679 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.714 6.529 4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.851 8.435 5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.525 8.513 5.796 1.00 0.00 H new ATOM 161 N HIS A 14 12.045 5.680 5.754 1.00 0.00 N ATOM 162 CA HIS A 14 12.538 5.285 7.069 1.00 0.00 C ATOM 163 C HIS A 14 13.856 4.525 6.949 1.00 0.00 C ATOM 164 O HIS A 14 14.117 3.875 5.938 1.00 0.00 O ATOM 165 CB HIS A 14 11.501 4.421 7.788 1.00 0.00 C ATOM 166 CG HIS A 14 10.291 5.184 8.233 1.00 0.00 C ATOM 167 ND1 HIS A 14 9.216 5.438 7.408 1.00 0.00 N ATOM 168 CD2 HIS A 14 9.990 5.747 9.426 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.306 6.126 8.074 1.00 0.00 C ATOM 170 NE2 HIS A 14 8.751 6.327 9.301 1.00 0.00 N ATOM 0 H HIS A 14 11.503 4.962 5.274 1.00 0.00 H new ATOM 0 HA HIS A 14 12.712 6.190 7.651 1.00 0.00 H new ATOM 0 HB2 HIS A 14 11.188 3.615 7.124 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.967 3.956 8.657 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.608 5.741 10.311 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.359 6.466 7.682 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.255 6.831 10.036 1.00 0.00 H new ATOM 178 N GLU A 15 14.681 4.614 7.988 1.00 0.00 N ATOM 179 CA GLU A 15 15.972 3.936 7.997 1.00 0.00 C ATOM 180 C GLU A 15 15.882 2.605 8.738 1.00 0.00 C ATOM 181 O GLU A 15 16.490 1.614 8.332 1.00 0.00 O ATOM 182 CB GLU A 15 17.035 4.824 8.647 1.00 0.00 C ATOM 183 CG GLU A 15 16.704 5.222 10.076 1.00 0.00 C ATOM 184 CD GLU A 15 17.915 5.726 10.836 1.00 0.00 C ATOM 185 OE1 GLU A 15 18.901 4.970 10.952 1.00 0.00 O ATOM 186 OE2 GLU A 15 17.875 6.879 11.316 1.00 0.00 O ATOM 0 H GLU A 15 14.479 5.148 8.833 1.00 0.00 H new ATOM 0 HA GLU A 15 16.257 3.738 6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.990 4.300 8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.160 5.726 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.938 5.997 10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.282 4.364 10.600 1.00 0.00 H new ATOM 193 N ASP A 16 15.120 2.591 9.826 1.00 0.00 N ATOM 194 CA ASP A 16 14.949 1.382 10.624 1.00 0.00 C ATOM 195 C ASP A 16 13.575 0.763 10.386 1.00 0.00 C ATOM 196 O ASP A 16 13.460 -0.436 10.134 1.00 0.00 O ATOM 197 CB ASP A 16 15.130 1.697 12.110 1.00 0.00 C ATOM 198 CG ASP A 16 16.570 1.552 12.561 1.00 0.00 C ATOM 199 OD1 ASP A 16 17.171 0.491 12.293 1.00 0.00 O ATOM 200 OD2 ASP A 16 17.095 2.499 13.183 1.00 0.00 O ATOM 0 H ASP A 16 14.611 3.403 10.176 1.00 0.00 H new ATOM 0 HA ASP A 16 15.709 0.663 10.317 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.791 2.714 12.307 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.499 1.031 12.699 1.00 0.00 H new ATOM 205 N GLU A 17 12.537 1.589 10.469 1.00 0.00 N ATOM 206 CA GLU A 17 11.171 1.121 10.264 1.00 0.00 C ATOM 207 C GLU A 17 11.002 0.530 8.868 1.00 0.00 C ATOM 208 O GLU A 17 10.701 1.244 7.911 1.00 0.00 O ATOM 209 CB GLU A 17 10.180 2.269 10.468 1.00 0.00 C ATOM 210 CG GLU A 17 10.205 2.854 11.870 1.00 0.00 C ATOM 211 CD GLU A 17 10.104 1.792 12.947 1.00 0.00 C ATOM 212 OE1 GLU A 17 11.105 1.079 13.172 1.00 0.00 O ATOM 213 OE2 GLU A 17 9.025 1.673 13.565 1.00 0.00 O ATOM 0 H GLU A 17 12.616 2.585 10.677 1.00 0.00 H new ATOM 0 HA GLU A 17 10.967 0.340 10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.400 3.059 9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.173 1.912 10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.127 3.419 12.007 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.380 3.558 11.981 1.00 0.00 H new ATOM 220 N LYS A 18 11.198 -0.779 8.759 1.00 0.00 N ATOM 221 CA LYS A 18 11.068 -1.469 7.481 1.00 0.00 C ATOM 222 C LYS A 18 9.602 -1.591 7.075 1.00 0.00 C ATOM 223 O LYS A 18 8.712 -1.118 7.783 1.00 0.00 O ATOM 224 CB LYS A 18 11.702 -2.859 7.561 1.00 0.00 C ATOM 225 CG LYS A 18 13.221 -2.834 7.590 1.00 0.00 C ATOM 226 CD LYS A 18 13.807 -4.207 7.309 1.00 0.00 C ATOM 227 CE LYS A 18 13.664 -4.585 5.843 1.00 0.00 C ATOM 228 NZ LYS A 18 13.538 -6.057 5.659 1.00 0.00 N ATOM 0 H LYS A 18 11.448 -1.384 9.541 1.00 0.00 H new ATOM 0 HA LYS A 18 11.589 -0.881 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.338 -3.364 8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.373 -3.449 6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.588 -2.122 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.561 -2.485 8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.861 -4.218 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.306 -4.951 7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.787 -4.090 5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.530 -4.223 5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.443 -6.273 4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.386 -6.528 6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.698 -6.400 6.167 1.00 0.00 H new ATOM 242 N ILE A 19 9.359 -2.228 5.935 1.00 0.00 N ATOM 243 CA ILE A 19 8.002 -2.413 5.439 1.00 0.00 C ATOM 244 C ILE A 19 7.240 -3.429 6.284 1.00 0.00 C ATOM 245 O ILE A 19 7.667 -4.573 6.432 1.00 0.00 O ATOM 246 CB ILE A 19 7.998 -2.879 3.971 1.00 0.00 C ATOM 247 CG1 ILE A 19 8.540 -1.775 3.061 1.00 0.00 C ATOM 248 CG2 ILE A 19 6.593 -3.280 3.546 1.00 0.00 C ATOM 249 CD1 ILE A 19 7.768 -0.478 3.158 1.00 0.00 C ATOM 0 H ILE A 19 10.084 -2.625 5.338 1.00 0.00 H new ATOM 0 HA ILE A 19 7.507 -1.444 5.507 1.00 0.00 H new ATOM 0 HB ILE A 19 8.647 -3.750 3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.584 -1.587 3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.520 -2.124 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.607 -3.607 2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.240 -4.095 4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.924 -2.426 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.208 0.259 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.729 -0.651 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.809 -0.106 4.182 1.00 0.00 H new ATOM 261 N ASN A 20 6.110 -3.001 6.837 1.00 0.00 N ATOM 262 CA ASN A 20 5.287 -3.874 7.667 1.00 0.00 C ATOM 263 C ASN A 20 3.966 -4.197 6.975 1.00 0.00 C ATOM 264 O ASN A 20 3.461 -5.315 7.071 1.00 0.00 O ATOM 265 CB ASN A 20 5.019 -3.218 9.023 1.00 0.00 C ATOM 266 CG ASN A 20 6.218 -3.292 9.948 1.00 0.00 C ATOM 267 OD1 ASN A 20 7.050 -4.192 9.834 1.00 0.00 O ATOM 268 ND2 ASN A 20 6.312 -2.342 10.872 1.00 0.00 N ATOM 0 H ASN A 20 5.743 -2.056 6.726 1.00 0.00 H new ATOM 0 HA ASN A 20 5.832 -4.805 7.823 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.745 -2.174 8.871 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.167 -3.705 9.497 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.097 -2.340 11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.599 -1.615 10.930 1.00 0.00 H new ATOM 275 N ILE A 21 3.413 -3.210 6.278 1.00 0.00 N ATOM 276 CA ILE A 21 2.152 -3.389 5.569 1.00 0.00 C ATOM 277 C ILE A 21 2.283 -2.987 4.104 1.00 0.00 C ATOM 278 O ILE A 21 3.325 -2.489 3.677 1.00 0.00 O ATOM 279 CB ILE A 21 1.021 -2.568 6.216 1.00 0.00 C ATOM 280 CG1 ILE A 21 1.417 -1.093 6.302 1.00 0.00 C ATOM 281 CG2 ILE A 21 0.693 -3.115 7.597 1.00 0.00 C ATOM 282 CD1 ILE A 21 0.312 -0.200 6.824 1.00 0.00 C ATOM 0 H ILE A 21 3.818 -2.278 6.189 1.00 0.00 H new ATOM 0 HA ILE A 21 1.902 -4.448 5.632 1.00 0.00 H new ATOM 0 HB ILE A 21 0.130 -2.650 5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.288 -0.996 6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.716 -0.747 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.108 -2.524 8.041 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.373 -4.153 7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.579 -3.060 8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.663 0.831 6.858 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.553 -0.267 6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.029 -0.520 7.827 1.00 0.00 H new ATOM 294 N TYR A 22 1.219 -3.205 3.340 1.00 0.00 N ATOM 295 CA TYR A 22 1.215 -2.866 1.921 1.00 0.00 C ATOM 296 C TYR A 22 0.048 -1.942 1.586 1.00 0.00 C ATOM 297 O TYR A 22 -1.096 -2.209 1.954 1.00 0.00 O ATOM 298 CB TYR A 22 1.136 -4.135 1.072 1.00 0.00 C ATOM 299 CG TYR A 22 0.772 -3.876 -0.372 1.00 0.00 C ATOM 300 CD1 TYR A 22 -0.556 -3.855 -0.781 1.00 0.00 C ATOM 301 CD2 TYR A 22 1.755 -3.654 -1.328 1.00 0.00 C ATOM 302 CE1 TYR A 22 -0.893 -3.619 -2.100 1.00 0.00 C ATOM 303 CE2 TYR A 22 1.427 -3.416 -2.649 1.00 0.00 C ATOM 304 CZ TYR A 22 0.101 -3.399 -3.030 1.00 0.00 C ATOM 305 OH TYR A 22 -0.230 -3.164 -4.344 1.00 0.00 O ATOM 0 H TYR A 22 0.348 -3.615 3.679 1.00 0.00 H new ATOM 0 HA TYR A 22 2.145 -2.344 1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.097 -4.647 1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.399 -4.809 1.509 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.338 -4.026 -0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.794 -3.668 -1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.930 -3.607 -2.401 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.204 -3.244 -3.379 1.00 0.00 H new ATOM 0 HH TYR A 22 0.587 -3.028 -4.868 1.00 0.00 H new ATOM 315 N CYS A 23 0.346 -0.855 0.883 1.00 0.00 N ATOM 316 CA CYS A 23 -0.676 0.110 0.495 1.00 0.00 C ATOM 317 C CYS A 23 -1.414 -0.353 -0.758 1.00 0.00 C ATOM 318 O CYS A 23 -0.832 -0.998 -1.632 1.00 0.00 O ATOM 319 CB CYS A 23 -0.045 1.482 0.251 1.00 0.00 C ATOM 320 SG CYS A 23 -1.246 2.851 0.186 1.00 0.00 S ATOM 0 H CYS A 23 1.288 -0.620 0.570 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.395 0.188 1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.678 1.684 1.042 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.509 1.454 -0.687 1.00 0.00 H new ATOM 325 N LEU A 24 -2.697 -0.020 -0.839 1.00 0.00 N ATOM 326 CA LEU A 24 -3.516 -0.401 -1.985 1.00 0.00 C ATOM 327 C LEU A 24 -3.762 0.795 -2.899 1.00 0.00 C ATOM 328 O LEU A 24 -3.367 0.790 -4.066 1.00 0.00 O ATOM 329 CB LEU A 24 -4.851 -0.980 -1.513 1.00 0.00 C ATOM 330 CG LEU A 24 -4.798 -2.384 -0.912 1.00 0.00 C ATOM 331 CD1 LEU A 24 -3.473 -2.611 -0.199 1.00 0.00 C ATOM 332 CD2 LEU A 24 -5.963 -2.600 0.043 1.00 0.00 C ATOM 0 H LEU A 24 -3.193 0.513 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.977 -1.162 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.275 -0.304 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.538 -0.994 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.879 -3.108 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.454 -3.616 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.654 -2.500 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.361 -1.880 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.909 -3.605 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.913 -1.868 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.903 -2.482 -0.497 1.00 0.00 H new ATOM 344 N THR A 25 -4.415 1.821 -2.362 1.00 0.00 N ATOM 345 CA THR A 25 -4.712 3.024 -3.128 1.00 0.00 C ATOM 346 C THR A 25 -3.629 3.297 -4.166 1.00 0.00 C ATOM 347 O THR A 25 -3.880 3.240 -5.370 1.00 0.00 O ATOM 348 CB THR A 25 -4.851 4.254 -2.212 1.00 0.00 C ATOM 349 OG1 THR A 25 -5.990 4.102 -1.357 1.00 0.00 O ATOM 350 CG2 THR A 25 -4.992 5.527 -3.032 1.00 0.00 C ATOM 0 H THR A 25 -4.748 1.842 -1.398 1.00 0.00 H new ATOM 0 HA THR A 25 -5.661 2.849 -3.635 1.00 0.00 H new ATOM 0 HB THR A 25 -3.949 4.331 -1.605 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.541 4.911 -1.399 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.089 6.382 -2.363 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.110 5.655 -3.659 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.879 5.457 -3.662 1.00 0.00 H new ATOM 358 N CYS A 26 -2.424 3.593 -3.692 1.00 0.00 N ATOM 359 CA CYS A 26 -1.301 3.874 -4.578 1.00 0.00 C ATOM 360 C CYS A 26 -0.616 2.583 -5.016 1.00 0.00 C ATOM 361 O CYS A 26 0.171 2.576 -5.962 1.00 0.00 O ATOM 362 CB CYS A 26 -0.292 4.790 -3.882 1.00 0.00 C ATOM 363 SG CYS A 26 0.297 4.162 -2.277 1.00 0.00 S ATOM 0 H CYS A 26 -2.200 3.645 -2.698 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.687 4.377 -5.464 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.565 4.935 -4.540 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.749 5.768 -3.732 1.00 0.00 H new ATOM 368 N GLU A 27 -0.922 1.492 -4.320 1.00 0.00 N ATOM 369 CA GLU A 27 -0.335 0.195 -4.636 1.00 0.00 C ATOM 370 C GLU A 27 1.173 0.210 -4.404 1.00 0.00 C ATOM 371 O GLU A 27 1.951 -0.160 -5.283 1.00 0.00 O ATOM 372 CB GLU A 27 -0.635 -0.184 -6.088 1.00 0.00 C ATOM 373 CG GLU A 27 -1.910 -0.993 -6.254 1.00 0.00 C ATOM 374 CD GLU A 27 -2.550 -0.801 -7.615 1.00 0.00 C ATOM 375 OE1 GLU A 27 -2.515 0.335 -8.132 1.00 0.00 O ATOM 376 OE2 GLU A 27 -3.086 -1.787 -8.163 1.00 0.00 O ATOM 0 H GLU A 27 -1.572 1.481 -3.534 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.780 -0.548 -3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.712 0.726 -6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.203 -0.756 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.687 -2.050 -6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.621 -0.707 -5.479 1.00 0.00 H new ATOM 383 N VAL A 28 1.579 0.640 -3.214 1.00 0.00 N ATOM 384 CA VAL A 28 2.993 0.702 -2.864 1.00 0.00 C ATOM 385 C VAL A 28 3.233 0.186 -1.450 1.00 0.00 C ATOM 386 O VAL A 28 2.644 0.664 -0.480 1.00 0.00 O ATOM 387 CB VAL A 28 3.535 2.140 -2.973 1.00 0.00 C ATOM 388 CG1 VAL A 28 2.982 2.827 -4.213 1.00 0.00 C ATOM 389 CG2 VAL A 28 3.197 2.932 -1.719 1.00 0.00 C ATOM 0 H VAL A 28 0.948 0.951 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 28 3.523 0.067 -3.574 1.00 0.00 H new ATOM 0 HB VAL A 28 4.620 2.095 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.376 3.842 -4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.279 2.269 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.894 2.863 -4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.587 3.945 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.115 2.970 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.646 2.449 -0.851 1.00 0.00 H new ATOM 399 N PRO A 29 4.119 -0.814 -1.327 1.00 0.00 N ATOM 400 CA PRO A 29 4.458 -1.416 -0.035 1.00 0.00 C ATOM 401 C PRO A 29 5.256 -0.469 0.854 1.00 0.00 C ATOM 402 O PRO A 29 6.479 -0.376 0.741 1.00 0.00 O ATOM 403 CB PRO A 29 5.308 -2.630 -0.422 1.00 0.00 C ATOM 404 CG PRO A 29 5.889 -2.278 -1.748 1.00 0.00 C ATOM 405 CD PRO A 29 4.857 -1.432 -2.441 1.00 0.00 C ATOM 0 HA PRO A 29 3.569 -1.667 0.544 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.089 -2.818 0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.702 -3.534 -0.482 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.826 -1.733 -1.631 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.112 -3.174 -2.327 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.318 -0.681 -3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.203 -2.033 -3.072 1.00 0.00 H new ATOM 413 N THR A 30 4.557 0.232 1.741 1.00 0.00 N ATOM 414 CA THR A 30 5.200 1.173 2.650 1.00 0.00 C ATOM 415 C THR A 30 5.031 0.738 4.101 1.00 0.00 C ATOM 416 O THR A 30 4.112 -0.011 4.433 1.00 0.00 O ATOM 417 CB THR A 30 4.632 2.595 2.482 1.00 0.00 C ATOM 418 OG1 THR A 30 5.369 3.516 3.293 1.00 0.00 O ATOM 419 CG2 THR A 30 3.160 2.638 2.866 1.00 0.00 C ATOM 0 H THR A 30 3.545 0.166 1.849 1.00 0.00 H new ATOM 0 HA THR A 30 6.260 1.182 2.397 1.00 0.00 H new ATOM 0 HB THR A 30 4.726 2.879 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.324 3.300 3.247 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.780 3.652 2.739 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.597 1.957 2.227 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.047 2.335 3.907 1.00 0.00 H new ATOM 427 N CYS A 31 5.923 1.214 4.964 1.00 0.00 N ATOM 428 CA CYS A 31 5.873 0.875 6.381 1.00 0.00 C ATOM 429 C CYS A 31 4.525 1.259 6.985 1.00 0.00 C ATOM 430 O CYS A 31 3.712 1.922 6.342 1.00 0.00 O ATOM 431 CB CYS A 31 7.002 1.579 7.136 1.00 0.00 C ATOM 432 SG CYS A 31 6.773 3.378 7.307 1.00 0.00 S ATOM 0 H CYS A 31 6.689 1.836 4.706 1.00 0.00 H new ATOM 0 HA CYS A 31 6.000 -0.203 6.475 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.090 1.139 8.129 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.943 1.391 6.619 1.00 0.00 H new ATOM 437 N SER A 32 4.297 0.839 8.225 1.00 0.00 N ATOM 438 CA SER A 32 3.048 1.136 8.915 1.00 0.00 C ATOM 439 C SER A 32 3.126 2.484 9.626 1.00 0.00 C ATOM 440 O SER A 32 2.230 2.851 10.385 1.00 0.00 O ATOM 441 CB SER A 32 2.723 0.033 9.925 1.00 0.00 C ATOM 442 OG SER A 32 2.791 -1.247 9.321 1.00 0.00 O ATOM 0 H SER A 32 4.961 0.292 8.772 1.00 0.00 H new ATOM 0 HA SER A 32 2.254 1.183 8.170 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.422 0.082 10.760 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.726 0.193 10.335 1.00 0.00 H new ATOM 0 HG SER A 32 2.581 -1.935 9.987 1.00 0.00 H new ATOM 448 N MET A 33 4.206 3.217 9.373 1.00 0.00 N ATOM 449 CA MET A 33 4.402 4.525 9.987 1.00 0.00 C ATOM 450 C MET A 33 3.947 5.639 9.050 1.00 0.00 C ATOM 451 O MET A 33 3.364 6.632 9.488 1.00 0.00 O ATOM 452 CB MET A 33 5.874 4.723 10.356 1.00 0.00 C ATOM 453 CG MET A 33 6.444 3.598 11.205 1.00 0.00 C ATOM 454 SD MET A 33 5.391 3.184 12.609 1.00 0.00 S ATOM 455 CE MET A 33 4.859 1.534 12.158 1.00 0.00 C ATOM 0 H MET A 33 4.958 2.927 8.748 1.00 0.00 H new ATOM 0 HA MET A 33 3.798 4.567 10.893 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.461 4.810 9.442 1.00 0.00 H new ATOM 0 HB3 MET A 33 5.982 5.664 10.895 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.579 2.712 10.584 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.430 3.886 11.568 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.773 1.470 12.228 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.170 1.318 11.136 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.310 0.809 12.835 1.00 0.00 H new ATOM 465 N CYS A 34 4.216 5.469 7.760 1.00 0.00 N ATOM 466 CA CYS A 34 3.835 6.460 6.762 1.00 0.00 C ATOM 467 C CYS A 34 2.318 6.515 6.602 1.00 0.00 C ATOM 468 O CYS A 34 1.746 7.579 6.363 1.00 0.00 O ATOM 469 CB CYS A 34 4.488 6.137 5.417 1.00 0.00 C ATOM 470 SG CYS A 34 6.273 6.496 5.352 1.00 0.00 S ATOM 0 H CYS A 34 4.697 4.653 7.381 1.00 0.00 H new ATOM 0 HA CYS A 34 4.183 7.435 7.103 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.332 5.082 5.194 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.985 6.706 4.635 1.00 0.00 H new ATOM 475 N LYS A 35 1.672 5.362 6.736 1.00 0.00 N ATOM 476 CA LYS A 35 0.222 5.278 6.609 1.00 0.00 C ATOM 477 C LYS A 35 -0.468 6.114 7.682 1.00 0.00 C ATOM 478 O LYS A 35 -1.174 7.075 7.377 1.00 0.00 O ATOM 479 CB LYS A 35 -0.236 3.821 6.710 1.00 0.00 C ATOM 480 CG LYS A 35 -1.745 3.655 6.690 1.00 0.00 C ATOM 481 CD LYS A 35 -2.321 3.946 5.315 1.00 0.00 C ATOM 482 CE LYS A 35 -3.755 3.456 5.195 1.00 0.00 C ATOM 483 NZ LYS A 35 -4.703 4.324 5.949 1.00 0.00 N ATOM 0 H LYS A 35 2.130 4.472 6.933 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.055 5.673 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.194 3.256 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.156 3.389 7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.004 2.638 6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.195 4.325 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.285 5.019 5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.707 3.466 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.043 3.430 4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.822 2.434 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.152 3.771 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.185 5.124 6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.434 4.683 5.302 1.00 0.00 H new ATOM 497 N VAL A 36 -0.258 5.743 8.941 1.00 0.00 N ATOM 498 CA VAL A 36 -0.858 6.460 10.060 1.00 0.00 C ATOM 499 C VAL A 36 -0.112 7.759 10.343 1.00 0.00 C ATOM 500 O VAL A 36 -0.711 8.758 10.742 1.00 0.00 O ATOM 501 CB VAL A 36 -0.869 5.599 11.337 1.00 0.00 C ATOM 502 CG1 VAL A 36 -1.707 4.347 11.130 1.00 0.00 C ATOM 503 CG2 VAL A 36 0.550 5.239 11.750 1.00 0.00 C ATOM 0 H VAL A 36 0.323 4.950 9.212 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.885 6.688 9.776 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.320 6.180 12.141 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.703 3.751 12.043 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.731 4.631 10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.289 3.760 10.312 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.523 4.631 12.654 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.031 4.677 10.949 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.115 6.151 11.943 1.00 0.00 H new ATOM 513 N PHE A 37 1.200 7.740 10.133 1.00 0.00 N ATOM 514 CA PHE A 37 2.029 8.917 10.365 1.00 0.00 C ATOM 515 C PHE A 37 2.839 9.266 9.120 1.00 0.00 C ATOM 516 O PHE A 37 4.069 9.234 9.136 1.00 0.00 O ATOM 517 CB PHE A 37 2.970 8.678 11.548 1.00 0.00 C ATOM 518 CG PHE A 37 2.334 7.917 12.676 1.00 0.00 C ATOM 519 CD1 PHE A 37 1.181 8.388 13.284 1.00 0.00 C ATOM 520 CD2 PHE A 37 2.888 6.730 13.128 1.00 0.00 C ATOM 521 CE1 PHE A 37 0.594 7.690 14.322 1.00 0.00 C ATOM 522 CE2 PHE A 37 2.305 6.027 14.166 1.00 0.00 C ATOM 523 CZ PHE A 37 1.156 6.507 14.763 1.00 0.00 C ATOM 0 H PHE A 37 1.712 6.922 9.802 1.00 0.00 H new ATOM 0 HA PHE A 37 1.371 9.755 10.595 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.846 8.131 11.200 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.322 9.639 11.922 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.736 9.311 12.943 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.786 6.349 12.664 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.303 8.069 14.788 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.748 5.104 14.509 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.698 5.959 15.573 1.00 0.00 H new ATOM 533 N GLY A 38 2.138 9.601 8.040 1.00 0.00 N ATOM 534 CA GLY A 38 2.807 9.951 6.801 1.00 0.00 C ATOM 535 C GLY A 38 1.840 10.422 5.733 1.00 0.00 C ATOM 536 O GLY A 38 0.624 10.356 5.915 1.00 0.00 O ATOM 0 H GLY A 38 1.119 9.636 8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.539 10.735 6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.358 9.086 6.432 1.00 0.00 H new ATOM 540 N ILE A 39 2.380 10.899 4.617 1.00 0.00 N ATOM 541 CA ILE A 39 1.556 11.384 3.517 1.00 0.00 C ATOM 542 C ILE A 39 0.492 10.361 3.136 1.00 0.00 C ATOM 543 O ILE A 39 -0.573 10.716 2.628 1.00 0.00 O ATOM 544 CB ILE A 39 2.408 11.707 2.275 1.00 0.00 C ATOM 545 CG1 ILE A 39 3.149 10.457 1.798 1.00 0.00 C ATOM 546 CG2 ILE A 39 3.392 12.826 2.585 1.00 0.00 C ATOM 547 CD1 ILE A 39 2.370 9.641 0.789 1.00 0.00 C ATOM 0 H ILE A 39 3.384 10.960 4.451 1.00 0.00 H new ATOM 0 HA ILE A 39 1.072 12.297 3.864 1.00 0.00 H new ATOM 0 HB ILE A 39 1.746 12.041 1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.100 10.755 1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.380 9.830 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.987 13.043 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.844 13.720 2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.050 12.517 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.956 8.770 0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.431 9.313 1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.162 10.251 -0.090 1.00 0.00 H new ATOM 559 N HIS A 40 0.784 9.088 3.386 1.00 0.00 N ATOM 560 CA HIS A 40 -0.149 8.013 3.072 1.00 0.00 C ATOM 561 C HIS A 40 -1.326 8.014 4.043 1.00 0.00 C ATOM 562 O HIS A 40 -1.492 7.086 4.835 1.00 0.00 O ATOM 563 CB HIS A 40 0.563 6.661 3.117 1.00 0.00 C ATOM 564 CG HIS A 40 1.557 6.471 2.013 1.00 0.00 C ATOM 565 ND1 HIS A 40 1.218 5.973 0.772 1.00 0.00 N ATOM 566 CD2 HIS A 40 2.888 6.716 1.967 1.00 0.00 C ATOM 567 CE1 HIS A 40 2.297 5.919 0.012 1.00 0.00 C ATOM 568 NE2 HIS A 40 3.324 6.365 0.713 1.00 0.00 N ATOM 0 H HIS A 40 1.660 8.776 3.805 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.531 8.180 2.065 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.073 6.560 4.075 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.181 5.866 3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.494 7.114 2.768 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.333 5.570 -1.009 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.285 6.437 0.377 1.00 0.00 H new ATOM 576 N LYS A 41 -2.141 9.061 3.977 1.00 0.00 N ATOM 577 CA LYS A 41 -3.303 9.184 4.849 1.00 0.00 C ATOM 578 C LYS A 41 -4.580 8.792 4.112 1.00 0.00 C ATOM 579 O LYS A 41 -5.398 8.032 4.630 1.00 0.00 O ATOM 580 CB LYS A 41 -3.423 10.616 5.374 1.00 0.00 C ATOM 581 CG LYS A 41 -2.233 11.060 6.207 1.00 0.00 C ATOM 582 CD LYS A 41 -2.544 12.322 6.995 1.00 0.00 C ATOM 583 CE LYS A 41 -1.283 13.123 7.284 1.00 0.00 C ATOM 584 NZ LYS A 41 -1.399 13.901 8.549 1.00 0.00 N ATOM 0 H LYS A 41 -2.018 9.838 3.328 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.168 8.505 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.538 11.295 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.328 10.699 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.950 10.262 6.893 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.378 11.238 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.247 12.938 6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.030 12.056 7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.430 12.447 7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.087 13.804 6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.520 14.433 8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.197 14.564 8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.561 13.250 9.344 1.00 0.00 H new ATOM 598 N ALA A 42 -4.743 9.315 2.901 1.00 0.00 N ATOM 599 CA ALA A 42 -5.918 9.017 2.093 1.00 0.00 C ATOM 600 C ALA A 42 -5.759 7.689 1.360 1.00 0.00 C ATOM 601 O ALA A 42 -6.237 7.526 0.237 1.00 0.00 O ATOM 602 CB ALA A 42 -6.175 10.142 1.101 1.00 0.00 C ATOM 0 H ALA A 42 -4.076 9.947 2.459 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.775 8.933 2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.056 9.906 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.342 11.073 1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.311 10.253 0.445 1.00 0.00 H new ATOM 608 N CYS A 43 -5.083 6.742 2.002 1.00 0.00 N ATOM 609 CA CYS A 43 -4.858 5.428 1.411 1.00 0.00 C ATOM 610 C CYS A 43 -5.470 4.331 2.277 1.00 0.00 C ATOM 611 O CYS A 43 -6.001 4.601 3.354 1.00 0.00 O ATOM 612 CB CYS A 43 -3.360 5.176 1.233 1.00 0.00 C ATOM 613 SG CYS A 43 -2.629 6.025 -0.203 1.00 0.00 S ATOM 0 H CYS A 43 -4.681 6.860 2.932 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.342 5.408 0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.839 5.496 2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.192 4.104 1.132 1.00 0.00 H new ATOM 618 N GLU A 44 -5.392 3.094 1.798 1.00 0.00 N ATOM 619 CA GLU A 44 -5.939 1.956 2.528 1.00 0.00 C ATOM 620 C GLU A 44 -4.976 0.773 2.493 1.00 0.00 C ATOM 621 O GLU A 44 -4.788 0.142 1.452 1.00 0.00 O ATOM 622 CB GLU A 44 -7.290 1.546 1.939 1.00 0.00 C ATOM 623 CG GLU A 44 -7.335 1.601 0.421 1.00 0.00 C ATOM 624 CD GLU A 44 -8.621 1.032 -0.146 1.00 0.00 C ATOM 625 OE1 GLU A 44 -9.289 0.253 0.567 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.959 1.364 -1.301 1.00 0.00 O ATOM 0 H GLU A 44 -4.956 2.854 0.908 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.080 2.257 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.526 0.533 2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.065 2.199 2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.225 2.635 0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.488 1.048 0.016 1.00 0.00 H new ATOM 633 N VAL A 45 -4.368 0.478 3.637 1.00 0.00 N ATOM 634 CA VAL A 45 -3.425 -0.629 3.739 1.00 0.00 C ATOM 635 C VAL A 45 -4.143 -1.935 4.063 1.00 0.00 C ATOM 636 O VAL A 45 -5.234 -1.930 4.631 1.00 0.00 O ATOM 637 CB VAL A 45 -2.359 -0.361 4.818 1.00 0.00 C ATOM 638 CG1 VAL A 45 -1.510 0.844 4.442 1.00 0.00 C ATOM 639 CG2 VAL A 45 -3.014 -0.160 6.176 1.00 0.00 C ATOM 0 H VAL A 45 -4.512 0.991 4.507 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.935 -0.718 2.769 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.705 -1.230 4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.762 1.018 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.011 0.655 3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.147 1.723 4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.246 0.028 6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.693 0.692 6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.573 -1.056 6.446 1.00 0.00 H new ATOM 649 N ALA A 46 -3.522 -3.052 3.698 1.00 0.00 N ATOM 650 CA ALA A 46 -4.100 -4.365 3.952 1.00 0.00 C ATOM 651 C ALA A 46 -3.137 -5.245 4.742 1.00 0.00 C ATOM 652 O ALA A 46 -1.965 -4.917 4.924 1.00 0.00 O ATOM 653 CB ALA A 46 -4.477 -5.038 2.640 1.00 0.00 C ATOM 0 H ALA A 46 -2.618 -3.073 3.225 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.001 -4.229 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.908 -6.018 2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.207 -4.424 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.587 -5.155 2.022 1.00 0.00 H new ATOM 659 N PRO A 47 -3.642 -6.390 5.225 1.00 0.00 N ATOM 660 CA PRO A 47 -2.843 -7.341 6.004 1.00 0.00 C ATOM 661 C PRO A 47 -1.792 -8.048 5.155 1.00 0.00 C ATOM 662 O PRO A 47 -2.023 -9.148 4.653 1.00 0.00 O ATOM 663 CB PRO A 47 -3.882 -8.343 6.514 1.00 0.00 C ATOM 664 CG PRO A 47 -4.995 -8.270 5.526 1.00 0.00 C ATOM 665 CD PRO A 47 -5.031 -6.845 5.047 1.00 0.00 C ATOM 0 HA PRO A 47 -2.281 -6.848 6.797 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.467 -9.350 6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.224 -8.083 7.516 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.826 -8.956 4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.943 -8.552 5.985 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.345 -6.779 4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.729 -6.243 5.629 1.00 0.00 H new ATOM 673 N LEU A 48 -0.638 -7.409 4.999 1.00 0.00 N ATOM 674 CA LEU A 48 0.450 -7.978 4.211 1.00 0.00 C ATOM 675 C LEU A 48 0.459 -9.500 4.312 1.00 0.00 C ATOM 676 O LEU A 48 0.478 -10.198 3.299 1.00 0.00 O ATOM 677 CB LEU A 48 1.794 -7.417 4.680 1.00 0.00 C ATOM 678 CG LEU A 48 2.901 -7.356 3.627 1.00 0.00 C ATOM 679 CD1 LEU A 48 2.441 -6.560 2.415 1.00 0.00 C ATOM 680 CD2 LEU A 48 4.166 -6.751 4.217 1.00 0.00 C ATOM 0 H LEU A 48 -0.431 -6.497 5.407 1.00 0.00 H new ATOM 0 HA LEU A 48 0.292 -7.703 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.630 -6.410 5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.147 -8.023 5.514 1.00 0.00 H new ATOM 0 HG LEU A 48 3.126 -8.373 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.242 -6.527 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.563 -7.037 1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.188 -5.545 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.943 -6.716 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.956 -5.741 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.506 -7.363 5.053 1.00 0.00 H new ATOM 692 N GLN A 49 0.442 -10.006 5.541 1.00 0.00 N ATOM 693 CA GLN A 49 0.446 -11.445 5.774 1.00 0.00 C ATOM 694 C GLN A 49 -0.411 -12.167 4.739 1.00 0.00 C ATOM 695 O GLN A 49 0.078 -13.024 4.003 1.00 0.00 O ATOM 696 CB GLN A 49 -0.064 -11.757 7.182 1.00 0.00 C ATOM 697 CG GLN A 49 0.538 -13.017 7.782 1.00 0.00 C ATOM 698 CD GLN A 49 -0.192 -14.275 7.353 1.00 0.00 C ATOM 699 OE1 GLN A 49 -0.520 -14.446 6.179 1.00 0.00 O ATOM 700 NE2 GLN A 49 -0.450 -15.164 8.306 1.00 0.00 N ATOM 0 H GLN A 49 0.425 -9.441 6.390 1.00 0.00 H new ATOM 0 HA GLN A 49 1.473 -11.799 5.680 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.157 -10.912 7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.149 -11.861 7.152 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.585 -13.091 7.487 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.517 -12.943 8.869 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.160 -14.981 9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.938 -16.030 8.077 1.00 0.00 H new ATOM 709 N SER A 50 -1.692 -11.814 4.688 1.00 0.00 N ATOM 710 CA SER A 50 -2.618 -12.431 3.746 1.00 0.00 C ATOM 711 C SER A 50 -3.427 -11.371 3.006 1.00 0.00 C ATOM 712 O SER A 50 -4.499 -10.965 3.456 1.00 0.00 O ATOM 713 CB SER A 50 -3.559 -13.390 4.477 1.00 0.00 C ATOM 714 OG SER A 50 -4.004 -14.424 3.616 1.00 0.00 O ATOM 0 H SER A 50 -2.112 -11.104 5.288 1.00 0.00 H new ATOM 0 HA SER A 50 -2.035 -12.992 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.046 -13.823 5.336 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.417 -12.839 4.862 1.00 0.00 H new ATOM 0 HG SER A 50 -4.603 -15.024 4.108 1.00 0.00 H new ATOM 720 N VAL A 51 -2.906 -10.924 1.868 1.00 0.00 N ATOM 721 CA VAL A 51 -3.579 -9.911 1.064 1.00 0.00 C ATOM 722 C VAL A 51 -4.335 -10.545 -0.098 1.00 0.00 C ATOM 723 O VAL A 51 -3.735 -10.976 -1.083 1.00 0.00 O ATOM 724 CB VAL A 51 -2.579 -8.879 0.509 1.00 0.00 C ATOM 725 CG1 VAL A 51 -3.296 -7.852 -0.354 1.00 0.00 C ATOM 726 CG2 VAL A 51 -1.828 -8.202 1.645 1.00 0.00 C ATOM 0 H VAL A 51 -2.019 -11.248 1.482 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.286 -9.404 1.721 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.854 -9.400 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.574 -7.131 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.784 -8.355 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.044 -7.333 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.126 -7.476 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.537 -7.693 2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.282 -8.952 2.218 1.00 0.00 H new ATOM 736 N PHE A 52 -5.658 -10.599 0.023 1.00 0.00 N ATOM 737 CA PHE A 52 -6.498 -11.181 -1.017 1.00 0.00 C ATOM 738 C PHE A 52 -7.973 -10.897 -0.748 1.00 0.00 C ATOM 739 O PHE A 52 -8.581 -11.506 0.131 1.00 0.00 O ATOM 740 CB PHE A 52 -6.265 -12.690 -1.105 1.00 0.00 C ATOM 741 CG PHE A 52 -6.582 -13.268 -2.455 1.00 0.00 C ATOM 742 CD1 PHE A 52 -5.786 -12.981 -3.551 1.00 0.00 C ATOM 743 CD2 PHE A 52 -7.678 -14.099 -2.627 1.00 0.00 C ATOM 744 CE1 PHE A 52 -6.075 -13.511 -4.794 1.00 0.00 C ATOM 745 CE2 PHE A 52 -7.972 -14.633 -3.867 1.00 0.00 C ATOM 746 CZ PHE A 52 -7.170 -14.338 -4.953 1.00 0.00 C ATOM 0 H PHE A 52 -6.171 -10.247 0.831 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.226 -10.722 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.224 -12.904 -0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.876 -13.188 -0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.929 -12.335 -3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.309 -14.332 -1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.445 -13.279 -5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.828 -15.280 -3.987 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.399 -14.753 -5.924 1.00 0.00 H new ATOM 756 N GLN A 53 -8.539 -9.968 -1.511 1.00 0.00 N ATOM 757 CA GLN A 53 -9.942 -9.602 -1.353 1.00 0.00 C ATOM 758 C GLN A 53 -10.351 -9.631 0.116 1.00 0.00 C ATOM 759 O GLN A 53 -11.427 -10.115 0.462 1.00 0.00 O ATOM 760 CB GLN A 53 -10.831 -10.549 -2.161 1.00 0.00 C ATOM 761 CG GLN A 53 -10.758 -11.995 -1.699 1.00 0.00 C ATOM 762 CD GLN A 53 -11.660 -12.911 -2.502 1.00 0.00 C ATOM 763 OE1 GLN A 53 -11.998 -12.618 -3.649 1.00 0.00 O ATOM 764 NE2 GLN A 53 -12.056 -14.028 -1.902 1.00 0.00 N ATOM 0 H GLN A 53 -8.049 -9.455 -2.244 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.071 -8.586 -1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.864 -10.208 -2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.543 -10.497 -3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.729 -12.346 -1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.035 -12.050 -0.646 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.752 -14.231 -0.950 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.665 -14.683 -2.393 1.00 0.00 H new ATOM 773 N GLY A 54 -9.482 -9.109 0.977 1.00 0.00 N ATOM 774 CA GLY A 54 -9.771 -9.086 2.399 1.00 0.00 C ATOM 775 C GLY A 54 -10.784 -8.021 2.768 1.00 0.00 C ATOM 776 O GLY A 54 -11.548 -7.562 1.918 1.00 0.00 O ATOM 0 H GLY A 54 -8.584 -8.702 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.147 -10.062 2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.848 -8.912 2.951 1.00 0.00 H new ATOM 780 N GLN A 55 -10.793 -7.629 4.038 1.00 0.00 N ATOM 781 CA GLN A 55 -11.723 -6.613 4.516 1.00 0.00 C ATOM 782 C GLN A 55 -11.192 -5.212 4.232 1.00 0.00 C ATOM 783 O GLN A 55 -9.982 -5.001 4.140 1.00 0.00 O ATOM 784 CB GLN A 55 -11.969 -6.783 6.017 1.00 0.00 C ATOM 785 CG GLN A 55 -12.689 -8.073 6.373 1.00 0.00 C ATOM 786 CD GLN A 55 -13.939 -8.291 5.543 1.00 0.00 C ATOM 787 OE1 GLN A 55 -15.012 -7.784 5.870 1.00 0.00 O ATOM 788 NE2 GLN A 55 -13.806 -9.050 4.461 1.00 0.00 N ATOM 0 H GLN A 55 -10.167 -7.999 4.754 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.665 -6.740 3.983 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.013 -6.755 6.539 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.555 -5.938 6.379 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.011 -8.914 6.230 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.957 -8.056 7.429 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.897 -9.450 4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.612 -9.232 3.864 1.00 0.00 H new ATOM 797 N LYS A 56 -12.104 -4.256 4.092 1.00 0.00 N ATOM 798 CA LYS A 56 -11.729 -2.874 3.818 1.00 0.00 C ATOM 799 C LYS A 56 -11.229 -2.185 5.084 1.00 0.00 C ATOM 800 O LYS A 56 -11.600 -2.560 6.196 1.00 0.00 O ATOM 801 CB LYS A 56 -12.921 -2.105 3.243 1.00 0.00 C ATOM 802 CG LYS A 56 -14.036 -1.871 4.247 1.00 0.00 C ATOM 803 CD LYS A 56 -13.845 -0.565 5.000 1.00 0.00 C ATOM 804 CE LYS A 56 -14.593 -0.570 6.324 1.00 0.00 C ATOM 805 NZ LYS A 56 -15.995 -0.090 6.171 1.00 0.00 N ATOM 0 H LYS A 56 -13.109 -4.413 4.164 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.921 -2.881 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.574 -1.142 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.320 -2.655 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.995 -1.857 3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.068 -2.699 4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.783 -0.401 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.196 0.265 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.598 -1.580 6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.069 0.063 7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.471 -0.108 7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.991 0.883 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.503 -0.709 5.508 1.00 0.00 H new ATOM 819 N THR A 57 -10.385 -1.173 4.907 1.00 0.00 N ATOM 820 CA THR A 57 -9.835 -0.431 6.035 1.00 0.00 C ATOM 821 C THR A 57 -10.110 1.062 5.898 1.00 0.00 C ATOM 822 O THR A 57 -9.478 1.747 5.095 1.00 0.00 O ATOM 823 CB THR A 57 -8.316 -0.652 6.164 1.00 0.00 C ATOM 824 OG1 THR A 57 -7.779 0.214 7.171 1.00 0.00 O ATOM 825 CG2 THR A 57 -7.616 -0.392 4.839 1.00 0.00 C ATOM 0 H THR A 57 -10.068 -0.849 3.994 1.00 0.00 H new ATOM 0 HA THR A 57 -10.328 -0.807 6.932 1.00 0.00 H new ATOM 0 HB THR A 57 -8.145 -1.690 6.449 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.813 0.067 7.248 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.545 -0.555 4.956 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.006 -1.072 4.082 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.795 0.637 4.529 1.00 0.00 H new ATOM 833 N GLU A 58 -11.057 1.559 6.688 1.00 0.00 N ATOM 834 CA GLU A 58 -11.415 2.972 6.654 1.00 0.00 C ATOM 835 C GLU A 58 -11.944 3.432 8.009 1.00 0.00 C ATOM 836 O GLU A 58 -12.217 2.617 8.890 1.00 0.00 O ATOM 837 CB GLU A 58 -12.464 3.229 5.570 1.00 0.00 C ATOM 838 CG GLU A 58 -12.533 4.679 5.121 1.00 0.00 C ATOM 839 CD GLU A 58 -13.275 4.849 3.809 1.00 0.00 C ATOM 840 OE1 GLU A 58 -12.696 4.522 2.753 1.00 0.00 O ATOM 841 OE2 GLU A 58 -14.435 5.309 3.841 1.00 0.00 O ATOM 0 H GLU A 58 -11.589 1.005 7.359 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.516 3.543 6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.244 2.600 4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.442 2.926 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.026 5.271 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.522 5.071 5.016 1.00 0.00 H new ATOM 848 N SER A 59 -12.087 4.744 8.168 1.00 0.00 N ATOM 849 CA SER A 59 -12.579 5.315 9.416 1.00 0.00 C ATOM 850 C SER A 59 -14.061 5.660 9.308 1.00 0.00 C ATOM 851 O SER A 59 -14.879 5.191 10.098 1.00 0.00 O ATOM 852 CB SER A 59 -11.777 6.565 9.782 1.00 0.00 C ATOM 853 OG SER A 59 -10.551 6.221 10.403 1.00 0.00 O ATOM 0 H SER A 59 -11.869 5.432 7.447 1.00 0.00 H new ATOM 0 HA SER A 59 -12.454 4.570 10.202 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.581 7.151 8.884 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.364 7.194 10.452 1.00 0.00 H new ATOM 0 HG SER A 59 -10.057 7.037 10.625 1.00 0.00 H new ATOM 859 N GLY A 60 -14.399 6.487 8.323 1.00 0.00 N ATOM 860 CA GLY A 60 -15.782 6.882 8.128 1.00 0.00 C ATOM 861 C GLY A 60 -16.340 6.408 6.801 1.00 0.00 C ATOM 862 O GLY A 60 -15.629 5.837 5.973 1.00 0.00 O ATOM 0 H GLY A 60 -13.740 6.890 7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.389 6.479 8.938 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.857 7.968 8.183 1.00 0.00 H new ATOM 866 N PRO A 61 -17.642 6.644 6.584 1.00 0.00 N ATOM 867 CA PRO A 61 -18.324 6.244 5.349 1.00 0.00 C ATOM 868 C PRO A 61 -17.874 7.065 4.146 1.00 0.00 C ATOM 869 O PRO A 61 -17.530 6.515 3.100 1.00 0.00 O ATOM 870 CB PRO A 61 -19.800 6.511 5.657 1.00 0.00 C ATOM 871 CG PRO A 61 -19.783 7.570 6.704 1.00 0.00 C ATOM 872 CD PRO A 61 -18.549 7.320 7.526 1.00 0.00 C ATOM 0 HA PRO A 61 -18.110 5.209 5.082 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -20.336 6.842 4.768 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -20.299 5.610 6.013 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -19.758 8.563 6.255 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -20.680 7.522 7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.120 8.250 7.900 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.764 6.697 8.394 1.00 0.00 H new ATOM 880 N SER A 62 -17.878 8.386 4.301 1.00 0.00 N ATOM 881 CA SER A 62 -17.473 9.283 3.226 1.00 0.00 C ATOM 882 C SER A 62 -15.954 9.418 3.174 1.00 0.00 C ATOM 883 O SER A 62 -15.269 9.237 4.180 1.00 0.00 O ATOM 884 CB SER A 62 -18.112 10.660 3.414 1.00 0.00 C ATOM 885 OG SER A 62 -17.748 11.225 4.662 1.00 0.00 O ATOM 0 H SER A 62 -18.157 8.858 5.161 1.00 0.00 H new ATOM 0 HA SER A 62 -17.815 8.857 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.800 11.322 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 62 -19.197 10.572 3.353 1.00 0.00 H new ATOM 0 HG SER A 62 -18.168 12.105 4.757 1.00 0.00 H new ATOM 891 N SER A 63 -15.435 9.737 1.992 1.00 0.00 N ATOM 892 CA SER A 63 -13.997 9.892 1.806 1.00 0.00 C ATOM 893 C SER A 63 -13.669 11.268 1.234 1.00 0.00 C ATOM 894 O SER A 63 -14.564 12.052 0.921 1.00 0.00 O ATOM 895 CB SER A 63 -13.460 8.800 0.879 1.00 0.00 C ATOM 896 OG SER A 63 -12.061 8.642 1.033 1.00 0.00 O ATOM 0 H SER A 63 -15.989 9.893 1.150 1.00 0.00 H new ATOM 0 HA SER A 63 -13.517 9.799 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.961 7.857 1.095 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.689 9.053 -0.156 1.00 0.00 H new ATOM 0 HG SER A 63 -11.743 7.937 0.431 1.00 0.00 H new ATOM 902 N GLY A 64 -12.377 11.554 1.100 1.00 0.00 N ATOM 903 CA GLY A 64 -11.952 12.834 0.566 1.00 0.00 C ATOM 904 C GLY A 64 -11.944 12.857 -0.949 1.00 0.00 C ATOM 905 O GLY A 64 -12.521 11.961 -1.565 1.00 0.00 O ATOM 0 H GLY A 64 -11.618 10.921 1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.616 13.616 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.952 13.064 0.935 1.00 0.00 H new TER 909 GLY A 64 HETATM 910 ZN ZN A 201 7.716 4.729 5.706 1.00 0.00 ZN HETATM 911 ZN ZN A 401 -0.543 4.963 -0.340 1.00 0.00 ZN