USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 299 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 31 HIS HE2 : A 31 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : 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 -56:sc= 0.0493 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 154:sc= 0 (180deg=-0.0246) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0772) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.379 -0.019 -13.724 1.00 0.00 N ATOM 2 CA GLY A 1 -33.693 -0.141 -12.451 1.00 0.00 C ATOM 3 C GLY A 1 -32.489 0.773 -12.351 1.00 0.00 C ATOM 4 O GLY A 1 -31.737 0.929 -13.314 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.194 -0.664 -13.742 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.709 0.959 -13.848 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.726 -0.265 -14.495 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.388 0.090 -11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.374 -1.174 -12.311 1.00 0.00 H new ATOM 8 N SER A 2 -32.305 1.382 -11.184 1.00 0.00 N ATOM 9 CA SER A 2 -31.186 2.291 -10.964 1.00 0.00 C ATOM 10 C SER A 2 -30.739 2.259 -9.505 1.00 0.00 C ATOM 11 O SER A 2 -31.489 2.638 -8.606 1.00 0.00 O ATOM 12 CB SER A 2 -31.575 3.717 -11.358 1.00 0.00 C ATOM 13 OG SER A 2 -30.436 4.467 -11.745 1.00 0.00 O ATOM 0 H SER A 2 -32.916 1.262 -10.376 1.00 0.00 H new ATOM 0 HA SER A 2 -30.355 1.963 -11.588 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.292 3.688 -12.179 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.070 4.207 -10.520 1.00 0.00 H new ATOM 0 HG SER A 2 -30.711 5.374 -11.994 1.00 0.00 H new ATOM 19 N SER A 3 -29.511 1.803 -9.279 1.00 0.00 N ATOM 20 CA SER A 3 -28.964 1.717 -7.930 1.00 0.00 C ATOM 21 C SER A 3 -27.450 1.903 -7.945 1.00 0.00 C ATOM 22 O SER A 3 -26.770 1.479 -8.879 1.00 0.00 O ATOM 23 CB SER A 3 -29.317 0.369 -7.299 1.00 0.00 C ATOM 24 OG SER A 3 -28.618 0.177 -6.081 1.00 0.00 O ATOM 0 H SER A 3 -28.876 1.488 -10.012 1.00 0.00 H new ATOM 0 HA SER A 3 -29.405 2.516 -7.334 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.391 0.319 -7.118 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.073 -0.436 -7.993 1.00 0.00 H new ATOM 0 HG SER A 3 -28.862 -0.691 -5.697 1.00 0.00 H new ATOM 30 N GLY A 4 -26.928 2.541 -6.902 1.00 0.00 N ATOM 31 CA GLY A 4 -25.498 2.773 -6.814 1.00 0.00 C ATOM 32 C GLY A 4 -24.795 1.740 -5.955 1.00 0.00 C ATOM 33 O GLY A 4 -25.138 0.558 -5.988 1.00 0.00 O ATOM 0 H GLY A 4 -27.470 2.901 -6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.069 2.761 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.319 3.766 -6.402 1.00 0.00 H new ATOM 37 N SER A 5 -23.807 2.186 -5.186 1.00 0.00 N ATOM 38 CA SER A 5 -23.050 1.291 -4.319 1.00 0.00 C ATOM 39 C SER A 5 -22.300 0.245 -5.139 1.00 0.00 C ATOM 40 O SER A 5 -22.319 -0.943 -4.817 1.00 0.00 O ATOM 41 CB SER A 5 -23.983 0.601 -3.323 1.00 0.00 C ATOM 42 OG SER A 5 -23.256 0.051 -2.238 1.00 0.00 O ATOM 0 H SER A 5 -23.512 3.162 -5.146 1.00 0.00 H new ATOM 0 HA SER A 5 -22.322 1.888 -3.770 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.714 1.318 -2.949 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.540 -0.188 -3.828 1.00 0.00 H new ATOM 0 HG SER A 5 -22.574 -0.564 -2.580 1.00 0.00 H new ATOM 48 N SER A 6 -21.641 0.697 -6.201 1.00 0.00 N ATOM 49 CA SER A 6 -20.888 -0.199 -7.071 1.00 0.00 C ATOM 50 C SER A 6 -19.493 -0.455 -6.510 1.00 0.00 C ATOM 51 O SER A 6 -18.501 -0.410 -7.237 1.00 0.00 O ATOM 52 CB SER A 6 -20.784 0.391 -8.479 1.00 0.00 C ATOM 53 OG SER A 6 -20.227 1.693 -8.446 1.00 0.00 O ATOM 0 H SER A 6 -21.613 1.678 -6.480 1.00 0.00 H new ATOM 0 HA SER A 6 -21.420 -1.149 -7.121 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.168 -0.256 -9.103 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.773 0.427 -8.936 1.00 0.00 H new ATOM 0 HG SER A 6 -20.170 2.047 -9.358 1.00 0.00 H new ATOM 59 N GLY A 7 -19.424 -0.725 -5.210 1.00 0.00 N ATOM 60 CA GLY A 7 -18.147 -0.984 -4.572 1.00 0.00 C ATOM 61 C GLY A 7 -17.584 -2.344 -4.933 1.00 0.00 C ATOM 62 O GLY A 7 -17.854 -3.335 -4.255 1.00 0.00 O ATOM 0 H GLY A 7 -20.231 -0.769 -4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.436 -0.211 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.265 -0.918 -3.490 1.00 0.00 H new ATOM 66 N ALA A 8 -16.800 -2.393 -6.005 1.00 0.00 N ATOM 67 CA ALA A 8 -16.198 -3.642 -6.455 1.00 0.00 C ATOM 68 C ALA A 8 -14.801 -3.820 -5.869 1.00 0.00 C ATOM 69 O ALA A 8 -13.900 -4.332 -6.532 1.00 0.00 O ATOM 70 CB ALA A 8 -16.145 -3.685 -7.975 1.00 0.00 C ATOM 0 H ALA A 8 -16.567 -1.582 -6.578 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.819 -4.465 -6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.693 -4.623 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -17.156 -3.612 -8.377 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.548 -2.850 -8.342 1.00 0.00 H new ATOM 76 N GLY A 9 -14.629 -3.393 -4.622 1.00 0.00 N ATOM 77 CA GLY A 9 -13.339 -3.513 -3.968 1.00 0.00 C ATOM 78 C GLY A 9 -13.458 -3.587 -2.459 1.00 0.00 C ATOM 79 O GLY A 9 -14.010 -2.685 -1.830 1.00 0.00 O ATOM 0 H GLY A 9 -15.360 -2.966 -4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -12.832 -4.406 -4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.717 -2.660 -4.239 1.00 0.00 H new ATOM 83 N GLU A 10 -12.939 -4.664 -1.878 1.00 0.00 N ATOM 84 CA GLU A 10 -12.993 -4.852 -0.433 1.00 0.00 C ATOM 85 C GLU A 10 -11.645 -5.323 0.105 1.00 0.00 C ATOM 86 O GLU A 10 -11.575 -6.249 0.913 1.00 0.00 O ATOM 87 CB GLU A 10 -14.082 -5.863 -0.068 1.00 0.00 C ATOM 88 CG GLU A 10 -13.822 -7.259 -0.611 1.00 0.00 C ATOM 89 CD GLU A 10 -14.985 -8.202 -0.373 1.00 0.00 C ATOM 90 OE1 GLU A 10 -15.132 -8.690 0.767 1.00 0.00 O ATOM 91 OE2 GLU A 10 -15.750 -8.453 -1.329 1.00 0.00 O ATOM 0 H GLU A 10 -12.477 -5.419 -2.385 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.232 -3.892 0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.169 -5.915 1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.039 -5.507 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.622 -7.197 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.926 -7.667 -0.142 1.00 0.00 H new ATOM 98 N LYS A 11 -10.575 -4.678 -0.349 1.00 0.00 N ATOM 99 CA LYS A 11 -9.228 -5.028 0.085 1.00 0.00 C ATOM 100 C LYS A 11 -8.836 -4.239 1.330 1.00 0.00 C ATOM 101 O LYS A 11 -9.193 -3.072 1.493 1.00 0.00 O ATOM 102 CB LYS A 11 -8.223 -4.764 -1.038 1.00 0.00 C ATOM 103 CG LYS A 11 -8.658 -5.314 -2.385 1.00 0.00 C ATOM 104 CD LYS A 11 -8.171 -6.739 -2.589 1.00 0.00 C ATOM 105 CE LYS A 11 -9.184 -7.752 -2.078 1.00 0.00 C ATOM 106 NZ LYS A 11 -10.298 -7.958 -3.044 1.00 0.00 N ATOM 0 H LYS A 11 -10.615 -3.909 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.216 -6.090 0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.065 -3.689 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.264 -5.206 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.745 -5.286 -2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.270 -4.678 -3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.984 -6.913 -3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.222 -6.878 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.685 -8.703 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.588 -7.412 -1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.967 -8.655 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.791 -7.056 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.915 -8.307 -3.946 1.00 0.00 H new ATOM 120 N PRO A 12 -8.081 -4.888 2.230 1.00 0.00 N ATOM 121 CA PRO A 12 -7.622 -4.264 3.474 1.00 0.00 C ATOM 122 C PRO A 12 -6.574 -3.184 3.229 1.00 0.00 C ATOM 123 O PRO A 12 -6.646 -2.095 3.800 1.00 0.00 O ATOM 124 CB PRO A 12 -7.013 -5.433 4.253 1.00 0.00 C ATOM 125 CG PRO A 12 -6.609 -6.415 3.208 1.00 0.00 C ATOM 126 CD PRO A 12 -7.618 -6.280 2.101 1.00 0.00 C ATOM 0 HA PRO A 12 -8.432 -3.759 4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.157 -5.111 4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.735 -5.866 4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.602 -6.207 2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.601 -7.429 3.608 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.171 -6.466 1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.438 -6.989 2.216 1.00 0.00 H new ATOM 134 N TYR A 13 -5.602 -3.491 2.378 1.00 0.00 N ATOM 135 CA TYR A 13 -4.538 -2.547 2.059 1.00 0.00 C ATOM 136 C TYR A 13 -5.021 -1.498 1.062 1.00 0.00 C ATOM 137 O TYR A 13 -5.303 -1.808 -0.095 1.00 0.00 O ATOM 138 CB TYR A 13 -3.325 -3.285 1.492 1.00 0.00 C ATOM 139 CG TYR A 13 -2.985 -4.555 2.240 1.00 0.00 C ATOM 140 CD1 TYR A 13 -2.319 -4.510 3.458 1.00 0.00 C ATOM 141 CD2 TYR A 13 -3.330 -5.800 1.728 1.00 0.00 C ATOM 142 CE1 TYR A 13 -2.005 -5.667 4.144 1.00 0.00 C ATOM 143 CE2 TYR A 13 -3.022 -6.962 2.407 1.00 0.00 C ATOM 144 CZ TYR A 13 -2.359 -6.891 3.615 1.00 0.00 C ATOM 145 OH TYR A 13 -2.050 -8.046 4.296 1.00 0.00 O ATOM 0 H TYR A 13 -5.529 -4.387 1.896 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.249 -2.041 2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.514 -3.529 0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.462 -2.619 1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.042 -3.554 3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.848 -5.860 0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.485 -5.614 5.089 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.298 -7.921 1.995 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.370 -8.821 3.788 1.00 0.00 H new ATOM 155 N GLY A 14 -5.115 -0.253 1.521 1.00 0.00 N ATOM 156 CA GLY A 14 -5.563 0.823 0.657 1.00 0.00 C ATOM 157 C GLY A 14 -4.826 2.122 0.919 1.00 0.00 C ATOM 158 O GLY A 14 -4.819 2.624 2.043 1.00 0.00 O ATOM 0 H GLY A 14 -4.889 0.029 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.421 0.532 -0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.632 0.980 0.801 1.00 0.00 H new ATOM 162 N CYS A 15 -4.203 2.666 -0.120 1.00 0.00 N ATOM 163 CA CYS A 15 -3.457 3.913 0.002 1.00 0.00 C ATOM 164 C CYS A 15 -4.372 5.054 0.439 1.00 0.00 C ATOM 165 O CYS A 15 -5.559 5.070 0.113 1.00 0.00 O ATOM 166 CB CYS A 15 -2.786 4.263 -1.327 1.00 0.00 C ATOM 167 SG CYS A 15 -1.865 5.835 -1.304 1.00 0.00 S ATOM 0 H CYS A 15 -4.200 2.263 -1.057 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.689 3.775 0.763 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.103 3.458 -1.600 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.548 4.312 -2.105 1.00 0.00 H new ATOM 172 N SER A 16 -3.811 6.005 1.178 1.00 0.00 N ATOM 173 CA SER A 16 -4.577 7.148 1.662 1.00 0.00 C ATOM 174 C SER A 16 -4.078 8.444 1.031 1.00 0.00 C ATOM 175 O SER A 16 -4.862 9.346 0.738 1.00 0.00 O ATOM 176 CB SER A 16 -4.484 7.242 3.187 1.00 0.00 C ATOM 177 OG SER A 16 -5.283 6.250 3.808 1.00 0.00 O ATOM 0 H SER A 16 -2.829 6.007 1.455 1.00 0.00 H new ATOM 0 HA SER A 16 -5.619 7.003 1.376 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.446 7.126 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.806 8.231 3.514 1.00 0.00 H new ATOM 0 HG SER A 16 -5.205 6.330 4.782 1.00 0.00 H new ATOM 183 N GLU A 17 -2.767 8.527 0.824 1.00 0.00 N ATOM 184 CA GLU A 17 -2.162 9.713 0.228 1.00 0.00 C ATOM 185 C GLU A 17 -2.950 10.168 -0.997 1.00 0.00 C ATOM 186 O GLU A 17 -3.392 11.314 -1.075 1.00 0.00 O ATOM 187 CB GLU A 17 -0.710 9.430 -0.162 1.00 0.00 C ATOM 188 CG GLU A 17 0.252 9.453 1.014 1.00 0.00 C ATOM 189 CD GLU A 17 0.093 10.692 1.873 1.00 0.00 C ATOM 190 OE1 GLU A 17 0.754 11.709 1.577 1.00 0.00 O ATOM 191 OE2 GLU A 17 -0.693 10.644 2.843 1.00 0.00 O ATOM 0 H GLU A 17 -2.104 7.788 1.060 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.183 10.512 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.656 8.455 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.390 10.168 -0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.091 8.567 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.275 9.402 0.643 1.00 0.00 H new ATOM 198 N CYS A 18 -3.122 9.261 -1.953 1.00 0.00 N ATOM 199 CA CYS A 18 -3.855 9.567 -3.176 1.00 0.00 C ATOM 200 C CYS A 18 -5.214 8.874 -3.183 1.00 0.00 C ATOM 201 O CYS A 18 -6.203 9.428 -3.660 1.00 0.00 O ATOM 202 CB CYS A 18 -3.045 9.139 -4.401 1.00 0.00 C ATOM 203 SG CYS A 18 -2.999 7.338 -4.670 1.00 0.00 S ATOM 0 H CYS A 18 -2.763 8.307 -1.904 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.016 10.644 -3.214 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.465 9.617 -5.286 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.024 9.506 -4.295 1.00 0.00 H new ATOM 208 N GLY A 19 -5.254 7.657 -2.649 1.00 0.00 N ATOM 209 CA GLY A 19 -6.496 6.907 -2.604 1.00 0.00 C ATOM 210 C GLY A 19 -6.524 5.769 -3.605 1.00 0.00 C ATOM 211 O GLY A 19 -7.095 5.898 -4.688 1.00 0.00 O ATOM 0 H GLY A 19 -4.449 7.177 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.639 6.507 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.330 7.580 -2.801 1.00 0.00 H new ATOM 215 N LYS A 20 -5.903 4.651 -3.244 1.00 0.00 N ATOM 216 CA LYS A 20 -5.857 3.485 -4.117 1.00 0.00 C ATOM 217 C LYS A 20 -5.996 2.196 -3.312 1.00 0.00 C ATOM 218 O LYS A 20 -6.153 2.230 -2.092 1.00 0.00 O ATOM 219 CB LYS A 20 -4.548 3.465 -4.909 1.00 0.00 C ATOM 220 CG LYS A 20 -4.612 4.246 -6.210 1.00 0.00 C ATOM 221 CD LYS A 20 -3.510 3.826 -7.167 1.00 0.00 C ATOM 222 CE LYS A 20 -3.262 4.884 -8.232 1.00 0.00 C ATOM 223 NZ LYS A 20 -4.407 4.999 -9.176 1.00 0.00 N ATOM 0 H LYS A 20 -5.424 4.528 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.694 3.551 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.751 3.874 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.282 2.431 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.583 4.091 -6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.526 5.312 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.591 3.648 -6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.781 2.884 -7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.088 5.848 -7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.357 4.636 -8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.199 5.730 -9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.557 4.087 -9.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.265 5.261 -8.650 1.00 0.00 H new ATOM 237 N ALA A 21 -5.935 1.063 -4.003 1.00 0.00 N ATOM 238 CA ALA A 21 -6.051 -0.236 -3.352 1.00 0.00 C ATOM 239 C ALA A 21 -5.295 -1.309 -4.129 1.00 0.00 C ATOM 240 O ALA A 21 -4.854 -1.079 -5.255 1.00 0.00 O ATOM 241 CB ALA A 21 -7.514 -0.623 -3.201 1.00 0.00 C ATOM 0 H ALA A 21 -5.806 1.018 -5.014 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.604 -0.159 -2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.585 -1.595 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.028 0.124 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.980 -0.676 -4.185 1.00 0.00 H new ATOM 247 N PHE A 22 -5.149 -2.481 -3.520 1.00 0.00 N ATOM 248 CA PHE A 22 -4.445 -3.589 -4.155 1.00 0.00 C ATOM 249 C PHE A 22 -4.908 -4.926 -3.583 1.00 0.00 C ATOM 250 O PHE A 22 -5.743 -4.972 -2.680 1.00 0.00 O ATOM 251 CB PHE A 22 -2.934 -3.437 -3.966 1.00 0.00 C ATOM 252 CG PHE A 22 -2.412 -2.090 -4.377 1.00 0.00 C ATOM 253 CD1 PHE A 22 -2.547 -0.995 -3.540 1.00 0.00 C ATOM 254 CD2 PHE A 22 -1.786 -1.919 -5.602 1.00 0.00 C ATOM 255 CE1 PHE A 22 -2.067 0.246 -3.915 1.00 0.00 C ATOM 256 CE2 PHE A 22 -1.304 -0.681 -5.982 1.00 0.00 C ATOM 257 CZ PHE A 22 -1.445 0.403 -5.138 1.00 0.00 C ATOM 0 H PHE A 22 -5.509 -2.688 -2.588 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.675 -3.570 -5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.688 -3.609 -2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.424 -4.208 -4.544 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.033 -1.112 -2.583 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.674 -2.763 -6.267 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.178 1.092 -3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.817 -0.561 -6.939 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.070 1.372 -5.434 1.00 0.00 H new ATOM 267 N SER A 23 -4.359 -6.013 -4.117 1.00 0.00 N ATOM 268 CA SER A 23 -4.718 -7.352 -3.664 1.00 0.00 C ATOM 269 C SER A 23 -3.815 -7.798 -2.517 1.00 0.00 C ATOM 270 O SER A 23 -4.287 -8.321 -1.508 1.00 0.00 O ATOM 271 CB SER A 23 -4.621 -8.348 -4.821 1.00 0.00 C ATOM 272 OG SER A 23 -5.844 -8.422 -5.534 1.00 0.00 O ATOM 0 H SER A 23 -3.664 -5.992 -4.864 1.00 0.00 H new ATOM 0 HA SER A 23 -5.746 -7.323 -3.304 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.820 -8.048 -5.497 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.361 -9.334 -4.436 1.00 0.00 H new ATOM 0 HG SER A 23 -5.756 -9.064 -6.269 1.00 0.00 H new ATOM 278 N SER A 24 -2.513 -7.586 -2.681 1.00 0.00 N ATOM 279 CA SER A 24 -1.542 -7.969 -1.663 1.00 0.00 C ATOM 280 C SER A 24 -0.837 -6.741 -1.095 1.00 0.00 C ATOM 281 O SER A 24 -0.932 -5.645 -1.648 1.00 0.00 O ATOM 282 CB SER A 24 -0.513 -8.938 -2.248 1.00 0.00 C ATOM 283 OG SER A 24 -1.148 -10.023 -2.902 1.00 0.00 O ATOM 0 H SER A 24 -2.106 -7.151 -3.509 1.00 0.00 H new ATOM 0 HA SER A 24 -2.078 -8.465 -0.854 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.129 -8.410 -2.953 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.130 -9.315 -1.452 1.00 0.00 H new ATOM 0 HG SER A 24 -0.469 -10.627 -3.269 1.00 0.00 H new ATOM 289 N LYS A 25 -0.128 -6.933 0.012 1.00 0.00 N ATOM 290 CA LYS A 25 0.596 -5.843 0.656 1.00 0.00 C ATOM 291 C LYS A 25 1.758 -5.373 -0.213 1.00 0.00 C ATOM 292 O LYS A 25 1.850 -4.196 -0.559 1.00 0.00 O ATOM 293 CB LYS A 25 1.116 -6.288 2.025 1.00 0.00 C ATOM 294 CG LYS A 25 1.884 -5.206 2.764 1.00 0.00 C ATOM 295 CD LYS A 25 2.505 -5.739 4.044 1.00 0.00 C ATOM 296 CE LYS A 25 2.618 -4.653 5.104 1.00 0.00 C ATOM 297 NZ LYS A 25 2.872 -5.222 6.456 1.00 0.00 N ATOM 0 H LYS A 25 -0.039 -7.834 0.482 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.094 -5.010 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.273 -6.607 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.762 -7.156 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.666 -4.807 2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.214 -4.380 3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.901 -6.562 4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.494 -6.143 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.426 -3.970 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.699 -4.067 5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.943 -4.450 7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.089 -5.854 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.762 -5.760 6.445 1.00 0.00 H new ATOM 311 N SER A 26 2.642 -6.302 -0.563 1.00 0.00 N ATOM 312 CA SER A 26 3.799 -5.982 -1.391 1.00 0.00 C ATOM 313 C SER A 26 3.431 -4.970 -2.472 1.00 0.00 C ATOM 314 O SER A 26 4.096 -3.946 -2.632 1.00 0.00 O ATOM 315 CB SER A 26 4.360 -7.252 -2.034 1.00 0.00 C ATOM 316 OG SER A 26 5.068 -8.033 -1.087 1.00 0.00 O ATOM 0 H SER A 26 2.579 -7.282 -0.286 1.00 0.00 H new ATOM 0 HA SER A 26 4.562 -5.541 -0.750 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.545 -7.839 -2.458 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.022 -6.985 -2.857 1.00 0.00 H new ATOM 0 HG SER A 26 5.415 -8.840 -1.522 1.00 0.00 H new ATOM 322 N TYR A 27 2.368 -5.265 -3.212 1.00 0.00 N ATOM 323 CA TYR A 27 1.912 -4.384 -4.280 1.00 0.00 C ATOM 324 C TYR A 27 1.750 -2.954 -3.774 1.00 0.00 C ATOM 325 O TYR A 27 2.129 -1.997 -4.450 1.00 0.00 O ATOM 326 CB TYR A 27 0.586 -4.887 -4.854 1.00 0.00 C ATOM 327 CG TYR A 27 0.739 -6.069 -5.784 1.00 0.00 C ATOM 328 CD1 TYR A 27 1.647 -6.039 -6.835 1.00 0.00 C ATOM 329 CD2 TYR A 27 -0.024 -7.218 -5.611 1.00 0.00 C ATOM 330 CE1 TYR A 27 1.789 -7.116 -7.687 1.00 0.00 C ATOM 331 CE2 TYR A 27 0.112 -8.300 -6.458 1.00 0.00 C ATOM 332 CZ TYR A 27 1.020 -8.245 -7.495 1.00 0.00 C ATOM 333 OH TYR A 27 1.160 -9.321 -8.341 1.00 0.00 O ATOM 0 H TYR A 27 1.806 -6.108 -3.092 1.00 0.00 H new ATOM 0 HA TYR A 27 2.666 -4.389 -5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.074 -5.165 -4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.100 -4.073 -5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.252 -5.158 -6.988 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.736 -7.265 -4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.499 -7.075 -8.500 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.489 -9.185 -6.309 1.00 0.00 H new ATOM 0 HH TYR A 27 0.546 -10.034 -8.067 1.00 0.00 H new ATOM 343 N LEU A 28 1.184 -2.816 -2.580 1.00 0.00 N ATOM 344 CA LEU A 28 0.971 -1.503 -1.981 1.00 0.00 C ATOM 345 C LEU A 28 2.297 -0.779 -1.772 1.00 0.00 C ATOM 346 O LEU A 28 2.421 0.409 -2.073 1.00 0.00 O ATOM 347 CB LEU A 28 0.237 -1.642 -0.647 1.00 0.00 C ATOM 348 CG LEU A 28 0.052 -0.354 0.155 1.00 0.00 C ATOM 349 CD1 LEU A 28 -0.805 0.637 -0.618 1.00 0.00 C ATOM 350 CD2 LEU A 28 -0.570 -0.654 1.511 1.00 0.00 C ATOM 0 H LEU A 28 0.864 -3.597 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 28 0.360 -0.914 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.746 -2.071 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.781 -2.356 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 28 1.032 0.093 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.926 1.548 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.320 0.876 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.783 0.198 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.694 0.275 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.543 -1.125 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.081 -1.327 2.069 1.00 0.00 H new ATOM 362 N ILE A 29 3.285 -1.502 -1.256 1.00 0.00 N ATOM 363 CA ILE A 29 4.603 -0.929 -1.010 1.00 0.00 C ATOM 364 C ILE A 29 5.182 -0.316 -2.280 1.00 0.00 C ATOM 365 O ILE A 29 5.727 0.788 -2.256 1.00 0.00 O ATOM 366 CB ILE A 29 5.584 -1.985 -0.470 1.00 0.00 C ATOM 367 CG1 ILE A 29 5.099 -2.522 0.879 1.00 0.00 C ATOM 368 CG2 ILE A 29 6.980 -1.394 -0.340 1.00 0.00 C ATOM 369 CD1 ILE A 29 5.824 -3.771 1.328 1.00 0.00 C ATOM 0 H ILE A 29 3.198 -2.486 -1.000 1.00 0.00 H new ATOM 0 HA ILE A 29 4.473 -0.149 -0.260 1.00 0.00 H new ATOM 0 HB ILE A 29 5.626 -2.815 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.224 -1.747 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.032 -2.735 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 29 7.662 -2.153 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.325 -1.056 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.955 -0.549 0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.429 -4.095 2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.678 -4.561 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.889 -3.558 1.426 1.00 0.00 H new ATOM 381 N ILE A 30 5.058 -1.038 -3.389 1.00 0.00 N ATOM 382 CA ILE A 30 5.566 -0.563 -4.670 1.00 0.00 C ATOM 383 C ILE A 30 4.903 0.750 -5.072 1.00 0.00 C ATOM 384 O ILE A 30 5.457 1.524 -5.853 1.00 0.00 O ATOM 385 CB ILE A 30 5.340 -1.602 -5.785 1.00 0.00 C ATOM 386 CG1 ILE A 30 5.933 -2.953 -5.380 1.00 0.00 C ATOM 387 CG2 ILE A 30 5.953 -1.119 -7.091 1.00 0.00 C ATOM 388 CD1 ILE A 30 5.432 -4.108 -6.219 1.00 0.00 C ATOM 0 H ILE A 30 4.610 -1.954 -3.426 1.00 0.00 H new ATOM 0 HA ILE A 30 6.637 -0.403 -4.545 1.00 0.00 H new ATOM 0 HB ILE A 30 4.267 -1.727 -5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.019 -2.902 -5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.697 -3.145 -4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.785 -1.864 -7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.489 -0.177 -7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.024 -0.970 -6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.894 -5.034 -5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.349 -4.185 -6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.692 -3.938 -7.264 1.00 0.00 H new ATOM 400 N HIS A 31 3.714 0.996 -4.532 1.00 0.00 N ATOM 401 CA HIS A 31 2.976 2.217 -4.832 1.00 0.00 C ATOM 402 C HIS A 31 3.292 3.308 -3.813 1.00 0.00 C ATOM 403 O HIS A 31 3.408 4.482 -4.162 1.00 0.00 O ATOM 404 CB HIS A 31 1.473 1.939 -4.849 1.00 0.00 C ATOM 405 CG HIS A 31 0.634 3.179 -4.908 1.00 0.00 C ATOM 406 ND1 HIS A 31 0.450 3.909 -6.063 1.00 0.00 N ATOM 407 CD2 HIS A 31 -0.072 3.816 -3.945 1.00 0.00 C ATOM 408 CE1 HIS A 31 -0.332 4.942 -5.808 1.00 0.00 C ATOM 409 NE2 HIS A 31 -0.664 4.909 -4.530 1.00 0.00 N ATOM 0 H HIS A 31 3.241 0.366 -3.884 1.00 0.00 H new ATOM 0 HA HIS A 31 3.285 2.565 -5.818 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.238 1.310 -5.708 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.207 1.372 -3.957 1.00 0.00 H new ATOM 0 HD1 HIS A 31 0.855 3.686 -6.972 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.155 3.520 -2.910 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.647 5.688 -6.523 1.00 0.00 H new ATOM 417 N MET A 32 3.430 2.911 -2.552 1.00 0.00 N ATOM 418 CA MET A 32 3.733 3.855 -1.483 1.00 0.00 C ATOM 419 C MET A 32 5.218 4.204 -1.471 1.00 0.00 C ATOM 420 O MET A 32 5.633 5.169 -0.829 1.00 0.00 O ATOM 421 CB MET A 32 3.323 3.273 -0.129 1.00 0.00 C ATOM 422 CG MET A 32 1.818 3.203 0.072 1.00 0.00 C ATOM 423 SD MET A 32 1.023 4.816 -0.058 1.00 0.00 S ATOM 424 CE MET A 32 1.067 5.353 1.650 1.00 0.00 C ATOM 0 H MET A 32 3.337 1.943 -2.246 1.00 0.00 H new ATOM 0 HA MET A 32 3.165 4.767 -1.665 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.741 2.271 -0.032 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.760 3.879 0.665 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.388 2.530 -0.669 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.606 2.776 1.052 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.058 6.442 1.689 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.195 4.964 2.176 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.974 4.980 2.125 1.00 0.00 H new ATOM 434 N ARG A 33 6.013 3.413 -2.184 1.00 0.00 N ATOM 435 CA ARG A 33 7.452 3.639 -2.253 1.00 0.00 C ATOM 436 C ARG A 33 7.759 5.104 -2.550 1.00 0.00 C ATOM 437 O ARG A 33 8.699 5.677 -1.997 1.00 0.00 O ATOM 438 CB ARG A 33 8.078 2.748 -3.328 1.00 0.00 C ATOM 439 CG ARG A 33 7.732 3.169 -4.746 1.00 0.00 C ATOM 440 CD ARG A 33 8.384 2.257 -5.773 1.00 0.00 C ATOM 441 NE ARG A 33 8.164 2.726 -7.139 1.00 0.00 N ATOM 442 CZ ARG A 33 8.961 2.422 -8.158 1.00 0.00 C ATOM 443 NH1 ARG A 33 10.025 1.654 -7.965 1.00 0.00 N ATOM 444 NH2 ARG A 33 8.694 2.887 -9.372 1.00 0.00 N ATOM 0 H ARG A 33 5.685 2.611 -2.722 1.00 0.00 H new ATOM 0 HA ARG A 33 7.881 3.385 -1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.162 2.757 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.749 1.720 -3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.650 3.152 -4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.057 4.196 -4.911 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.455 2.198 -5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.985 1.248 -5.667 1.00 0.00 H new ATOM 0 HE ARG A 33 7.354 3.319 -7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.233 1.295 -7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.635 1.422 -8.749 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.877 3.478 -9.523 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.306 2.653 -10.154 1.00 0.00 H new ATOM 458 N THR A 34 6.960 5.705 -3.426 1.00 0.00 N ATOM 459 CA THR A 34 7.147 7.102 -3.797 1.00 0.00 C ATOM 460 C THR A 34 6.446 8.031 -2.813 1.00 0.00 C ATOM 461 O THR A 34 6.994 9.060 -2.417 1.00 0.00 O ATOM 462 CB THR A 34 6.618 7.381 -5.217 1.00 0.00 C ATOM 463 OG1 THR A 34 6.882 8.741 -5.579 1.00 0.00 O ATOM 464 CG2 THR A 34 5.123 7.111 -5.299 1.00 0.00 C ATOM 0 H THR A 34 6.177 5.246 -3.892 1.00 0.00 H new ATOM 0 HA THR A 34 8.219 7.295 -3.772 1.00 0.00 H new ATOM 0 HB THR A 34 7.131 6.714 -5.910 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.544 8.910 -6.483 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.771 7.315 -6.310 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.927 6.068 -5.050 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.598 7.757 -4.595 1.00 0.00 H new ATOM 472 N HIS A 35 5.231 7.662 -2.421 1.00 0.00 N ATOM 473 CA HIS A 35 4.455 8.463 -1.481 1.00 0.00 C ATOM 474 C HIS A 35 5.291 8.828 -0.259 1.00 0.00 C ATOM 475 O HIS A 35 5.207 9.945 0.252 1.00 0.00 O ATOM 476 CB HIS A 35 3.200 7.704 -1.046 1.00 0.00 C ATOM 477 CG HIS A 35 2.059 7.834 -2.007 1.00 0.00 C ATOM 478 ND1 HIS A 35 1.590 9.050 -2.459 1.00 0.00 N ATOM 479 CD2 HIS A 35 1.292 6.892 -2.603 1.00 0.00 C ATOM 480 CE1 HIS A 35 0.583 8.849 -3.290 1.00 0.00 C ATOM 481 NE2 HIS A 35 0.382 7.548 -3.395 1.00 0.00 N ATOM 0 H HIS A 35 4.763 6.814 -2.739 1.00 0.00 H new ATOM 0 HA HIS A 35 4.158 9.383 -1.985 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.446 6.649 -0.928 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.885 8.069 -0.069 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.962 9.962 -2.193 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.379 5.823 -2.479 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.020 9.618 -3.797 1.00 0.00 H new ATOM 489 N SER A 36 6.098 7.880 0.206 1.00 0.00 N ATOM 490 CA SER A 36 6.947 8.101 1.371 1.00 0.00 C ATOM 491 C SER A 36 8.185 7.211 1.317 1.00 0.00 C ATOM 492 O SER A 36 8.102 6.033 0.973 1.00 0.00 O ATOM 493 CB SER A 36 6.165 7.829 2.657 1.00 0.00 C ATOM 494 OG SER A 36 6.720 8.537 3.751 1.00 0.00 O ATOM 0 H SER A 36 6.182 6.951 -0.206 1.00 0.00 H new ATOM 0 HA SER A 36 7.269 9.142 1.363 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.124 8.121 2.522 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.171 6.760 2.871 1.00 0.00 H new ATOM 0 HG SER A 36 6.201 8.347 4.560 1.00 0.00 H new ATOM 500 N GLY A 37 9.334 7.785 1.661 1.00 0.00 N ATOM 501 CA GLY A 37 10.574 7.031 1.646 1.00 0.00 C ATOM 502 C GLY A 37 11.672 7.704 2.446 1.00 0.00 C ATOM 503 O GLY A 37 11.401 8.572 3.275 1.00 0.00 O ATOM 0 H GLY A 37 9.428 8.759 1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.394 6.034 2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.906 6.904 0.616 1.00 0.00 H new ATOM 507 N GLU A 38 12.914 7.302 2.198 1.00 0.00 N ATOM 508 CA GLU A 38 14.056 7.871 2.904 1.00 0.00 C ATOM 509 C GLU A 38 14.396 9.256 2.361 1.00 0.00 C ATOM 510 O GLU A 38 14.551 9.442 1.154 1.00 0.00 O ATOM 511 CB GLU A 38 15.272 6.950 2.780 1.00 0.00 C ATOM 512 CG GLU A 38 16.461 7.397 3.612 1.00 0.00 C ATOM 513 CD GLU A 38 17.771 6.810 3.121 1.00 0.00 C ATOM 514 OE1 GLU A 38 18.224 7.206 2.026 1.00 0.00 O ATOM 515 OE2 GLU A 38 18.341 5.955 3.830 1.00 0.00 O ATOM 0 H GLU A 38 13.155 6.585 1.514 1.00 0.00 H new ATOM 0 HA GLU A 38 13.788 7.967 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.986 5.942 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.571 6.896 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.525 8.485 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.303 7.106 4.650 1.00 0.00 H new ATOM 522 N LYS A 39 14.511 10.226 3.262 1.00 0.00 N ATOM 523 CA LYS A 39 14.833 11.595 2.876 1.00 0.00 C ATOM 524 C LYS A 39 16.006 12.128 3.693 1.00 0.00 C ATOM 525 O LYS A 39 15.833 12.854 4.672 1.00 0.00 O ATOM 526 CB LYS A 39 13.614 12.500 3.064 1.00 0.00 C ATOM 527 CG LYS A 39 13.645 13.750 2.202 1.00 0.00 C ATOM 528 CD LYS A 39 12.310 14.475 2.222 1.00 0.00 C ATOM 529 CE LYS A 39 11.368 13.938 1.155 1.00 0.00 C ATOM 530 NZ LYS A 39 11.757 14.393 -0.208 1.00 0.00 N ATOM 0 H LYS A 39 14.386 10.089 4.265 1.00 0.00 H new ATOM 0 HA LYS A 39 15.117 11.592 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.712 11.933 2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.548 12.793 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.429 14.419 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.898 13.480 1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.850 14.365 3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.471 15.541 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.366 12.848 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.351 14.265 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.989 14.182 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.932 15.418 -0.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.622 13.898 -0.506 1.00 0.00 H new ATOM 544 N PRO A 40 17.229 11.762 3.282 1.00 0.00 N ATOM 545 CA PRO A 40 18.455 12.194 3.960 1.00 0.00 C ATOM 546 C PRO A 40 18.729 13.682 3.770 1.00 0.00 C ATOM 547 O PRO A 40 19.692 14.221 4.315 1.00 0.00 O ATOM 548 CB PRO A 40 19.547 11.359 3.287 1.00 0.00 C ATOM 549 CG PRO A 40 18.997 11.031 1.942 1.00 0.00 C ATOM 550 CD PRO A 40 17.510 10.898 2.123 1.00 0.00 C ATOM 0 HA PRO A 40 18.395 12.052 5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 40 20.480 11.917 3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 40 19.763 10.456 3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 40 19.234 11.814 1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.428 10.106 1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.966 11.225 1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.219 9.865 2.312 1.00 0.00 H new ATOM 558 N SER A 41 17.876 14.342 2.992 1.00 0.00 N ATOM 559 CA SER A 41 18.028 15.767 2.727 1.00 0.00 C ATOM 560 C SER A 41 17.733 16.587 3.979 1.00 0.00 C ATOM 561 O SER A 41 18.527 17.438 4.379 1.00 0.00 O ATOM 562 CB SER A 41 17.099 16.198 1.590 1.00 0.00 C ATOM 563 OG SER A 41 17.286 15.387 0.444 1.00 0.00 O ATOM 0 H SER A 41 17.072 13.912 2.534 1.00 0.00 H new ATOM 0 HA SER A 41 19.061 15.948 2.431 1.00 0.00 H new ATOM 0 HB2 SER A 41 16.062 16.134 1.919 1.00 0.00 H new ATOM 0 HB3 SER A 41 17.289 17.241 1.336 1.00 0.00 H new ATOM 0 HG SER A 41 16.680 15.681 -0.268 1.00 0.00 H new ATOM 569 N GLY A 42 16.584 16.325 4.594 1.00 0.00 N ATOM 570 CA GLY A 42 16.203 17.046 5.794 1.00 0.00 C ATOM 571 C GLY A 42 16.539 16.283 7.060 1.00 0.00 C ATOM 572 O GLY A 42 16.486 15.054 7.103 1.00 0.00 O ATOM 0 H GLY A 42 15.910 15.626 4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.709 18.011 5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.132 17.248 5.768 1.00 0.00 H new ATOM 576 N PRO A 43 16.896 17.020 8.123 1.00 0.00 N ATOM 577 CA PRO A 43 17.250 16.426 9.415 1.00 0.00 C ATOM 578 C PRO A 43 16.045 15.814 10.122 1.00 0.00 C ATOM 579 O PRO A 43 14.903 16.024 9.715 1.00 0.00 O ATOM 580 CB PRO A 43 17.793 17.613 10.215 1.00 0.00 C ATOM 581 CG PRO A 43 17.145 18.808 9.605 1.00 0.00 C ATOM 582 CD PRO A 43 16.981 18.490 8.144 1.00 0.00 C ATOM 0 HA PRO A 43 17.961 15.607 9.305 1.00 0.00 H new ATOM 0 HB2 PRO A 43 17.545 17.525 11.273 1.00 0.00 H new ATOM 0 HB3 PRO A 43 18.879 17.673 10.146 1.00 0.00 H new ATOM 0 HG2 PRO A 43 16.181 19.009 10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 43 17.758 19.698 9.744 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.084 18.950 7.731 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.825 18.852 7.557 1.00 0.00 H new ATOM 590 N SER A 44 16.308 15.056 11.182 1.00 0.00 N ATOM 591 CA SER A 44 15.245 14.411 11.943 1.00 0.00 C ATOM 592 C SER A 44 15.240 14.897 13.389 1.00 0.00 C ATOM 593 O SER A 44 15.814 14.260 14.272 1.00 0.00 O ATOM 594 CB SER A 44 15.412 12.890 11.905 1.00 0.00 C ATOM 595 OG SER A 44 14.297 12.240 12.489 1.00 0.00 O ATOM 0 H SER A 44 17.248 14.874 11.533 1.00 0.00 H new ATOM 0 HA SER A 44 14.292 14.677 11.485 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.530 12.560 10.873 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.321 12.607 12.436 1.00 0.00 H new ATOM 0 HG SER A 44 14.427 11.269 12.451 1.00 0.00 H new ATOM 601 N SER A 45 14.586 16.031 13.622 1.00 0.00 N ATOM 602 CA SER A 45 14.509 16.606 14.960 1.00 0.00 C ATOM 603 C SER A 45 13.617 15.761 15.864 1.00 0.00 C ATOM 604 O SER A 45 14.000 15.410 16.980 1.00 0.00 O ATOM 605 CB SER A 45 13.974 18.038 14.892 1.00 0.00 C ATOM 606 OG SER A 45 13.916 18.623 16.181 1.00 0.00 O ATOM 0 H SER A 45 14.103 16.569 12.903 1.00 0.00 H new ATOM 0 HA SER A 45 15.514 16.620 15.381 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.614 18.638 14.245 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.980 18.037 14.445 1.00 0.00 H new ATOM 0 HG SER A 45 13.572 19.538 16.110 1.00 0.00 H new ATOM 612 N GLY A 46 12.424 15.437 15.374 1.00 0.00 N ATOM 613 CA GLY A 46 11.496 14.635 16.149 1.00 0.00 C ATOM 614 C GLY A 46 11.417 13.203 15.660 1.00 0.00 C ATOM 615 O GLY A 46 12.447 12.533 15.601 1.00 0.00 O ATOM 0 H GLY A 46 12.084 15.716 14.454 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.801 14.642 17.195 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.505 15.086 16.103 1.00 0.00 H new TER 619 GLY A 46 HETATM 620 ZN ZN A 201 -1.237 6.495 -3.296 1.00 0.00 ZN