USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=15 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 180:sc= -0.0975 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0228 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 -57:sc= 0.405 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 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 32:sc= 0.574 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.00412 USER MOD Single : A 45 SER OG : rot -56:sc= 0.0376 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.410 -3.749 -1.228 1.00 0.00 N ATOM 2 CA GLY A 1 -33.516 -2.736 -0.698 1.00 0.00 C ATOM 3 C GLY A 1 -32.070 -3.192 -0.679 1.00 0.00 C ATOM 4 O GLY A 1 -31.515 -3.475 0.382 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.386 -3.389 -1.220 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.134 -3.979 -2.204 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.352 -4.605 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.600 -1.831 -1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.825 -2.476 0.314 1.00 0.00 H new ATOM 8 N SER A 2 -31.459 -3.264 -1.857 1.00 0.00 N ATOM 9 CA SER A 2 -30.071 -3.693 -1.973 1.00 0.00 C ATOM 10 C SER A 2 -29.319 -2.835 -2.986 1.00 0.00 C ATOM 11 O SER A 2 -29.909 -2.308 -3.929 1.00 0.00 O ATOM 12 CB SER A 2 -30.003 -5.165 -2.385 1.00 0.00 C ATOM 13 OG SER A 2 -30.349 -5.329 -3.749 1.00 0.00 O ATOM 0 H SER A 2 -31.904 -3.031 -2.745 1.00 0.00 H new ATOM 0 HA SER A 2 -29.597 -3.573 -0.999 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.997 -5.548 -2.213 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.678 -5.752 -1.762 1.00 0.00 H new ATOM 0 HG SER A 2 -30.296 -6.278 -3.988 1.00 0.00 H new ATOM 19 N SER A 3 -28.012 -2.699 -2.783 1.00 0.00 N ATOM 20 CA SER A 3 -27.179 -1.901 -3.676 1.00 0.00 C ATOM 21 C SER A 3 -25.991 -2.715 -4.180 1.00 0.00 C ATOM 22 O SER A 3 -25.474 -3.581 -3.477 1.00 0.00 O ATOM 23 CB SER A 3 -26.683 -0.645 -2.958 1.00 0.00 C ATOM 24 OG SER A 3 -25.601 -0.945 -2.093 1.00 0.00 O ATOM 0 H SER A 3 -27.507 -3.131 -2.009 1.00 0.00 H new ATOM 0 HA SER A 3 -27.785 -1.605 -4.532 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.371 0.098 -3.692 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.499 -0.204 -2.385 1.00 0.00 H new ATOM 0 HG SER A 3 -25.301 -0.125 -1.647 1.00 0.00 H new ATOM 30 N GLY A 4 -25.563 -2.428 -5.406 1.00 0.00 N ATOM 31 CA GLY A 4 -24.440 -3.140 -5.986 1.00 0.00 C ATOM 32 C GLY A 4 -23.189 -2.288 -6.061 1.00 0.00 C ATOM 33 O GLY A 4 -22.839 -1.779 -7.126 1.00 0.00 O ATOM 0 H GLY A 4 -25.975 -1.715 -6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.234 -4.031 -5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.706 -3.478 -6.988 1.00 0.00 H new ATOM 37 N SER A 5 -22.514 -2.129 -4.927 1.00 0.00 N ATOM 38 CA SER A 5 -21.297 -1.327 -4.867 1.00 0.00 C ATOM 39 C SER A 5 -20.087 -2.199 -4.547 1.00 0.00 C ATOM 40 O SER A 5 -19.080 -2.167 -5.254 1.00 0.00 O ATOM 41 CB SER A 5 -21.439 -0.225 -3.816 1.00 0.00 C ATOM 42 OG SER A 5 -21.740 -0.769 -2.543 1.00 0.00 O ATOM 0 H SER A 5 -22.789 -2.545 -4.037 1.00 0.00 H new ATOM 0 HA SER A 5 -21.144 -0.869 -5.844 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.514 0.349 -3.760 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.226 0.467 -4.114 1.00 0.00 H new ATOM 0 HG SER A 5 -21.824 -0.044 -1.889 1.00 0.00 H new ATOM 48 N SER A 6 -20.194 -2.977 -3.474 1.00 0.00 N ATOM 49 CA SER A 6 -19.107 -3.855 -3.055 1.00 0.00 C ATOM 50 C SER A 6 -17.752 -3.202 -3.309 1.00 0.00 C ATOM 51 O SER A 6 -16.815 -3.850 -3.773 1.00 0.00 O ATOM 52 CB SER A 6 -19.189 -5.191 -3.797 1.00 0.00 C ATOM 53 OG SER A 6 -19.063 -5.006 -5.196 1.00 0.00 O ATOM 0 H SER A 6 -21.022 -3.017 -2.879 1.00 0.00 H new ATOM 0 HA SER A 6 -19.209 -4.034 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.402 -5.856 -3.443 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.140 -5.676 -3.575 1.00 0.00 H new ATOM 0 HG SER A 6 -19.117 -5.874 -5.647 1.00 0.00 H new ATOM 59 N GLY A 7 -17.657 -1.912 -3.001 1.00 0.00 N ATOM 60 CA GLY A 7 -16.414 -1.191 -3.202 1.00 0.00 C ATOM 61 C GLY A 7 -15.197 -2.028 -2.861 1.00 0.00 C ATOM 62 O GLY A 7 -14.342 -2.267 -3.713 1.00 0.00 O ATOM 0 H GLY A 7 -18.419 -1.354 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.349 -0.867 -4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.416 -0.291 -2.587 1.00 0.00 H new ATOM 66 N ALA A 8 -15.117 -2.472 -1.611 1.00 0.00 N ATOM 67 CA ALA A 8 -13.996 -3.286 -1.160 1.00 0.00 C ATOM 68 C ALA A 8 -14.475 -4.630 -0.622 1.00 0.00 C ATOM 69 O ALA A 8 -15.205 -4.690 0.366 1.00 0.00 O ATOM 70 CB ALA A 8 -13.199 -2.545 -0.097 1.00 0.00 C ATOM 0 H ALA A 8 -15.816 -2.281 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 8 -13.350 -3.476 -2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.365 -3.165 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.817 -1.613 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.844 -2.325 0.754 1.00 0.00 H new ATOM 76 N GLY A 9 -14.060 -5.708 -1.281 1.00 0.00 N ATOM 77 CA GLY A 9 -14.458 -7.037 -0.855 1.00 0.00 C ATOM 78 C GLY A 9 -13.573 -7.581 0.249 1.00 0.00 C ATOM 79 O GLY A 9 -14.008 -7.716 1.392 1.00 0.00 O ATOM 0 H GLY A 9 -13.455 -5.684 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.491 -7.010 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.426 -7.714 -1.709 1.00 0.00 H new ATOM 83 N GLU A 10 -12.328 -7.896 -0.094 1.00 0.00 N ATOM 84 CA GLU A 10 -11.381 -8.432 0.877 1.00 0.00 C ATOM 85 C GLU A 10 -10.043 -7.703 0.791 1.00 0.00 C ATOM 86 O GLU A 10 -8.981 -8.312 0.920 1.00 0.00 O ATOM 87 CB GLU A 10 -11.173 -9.930 0.647 1.00 0.00 C ATOM 88 CG GLU A 10 -10.494 -10.256 -0.672 1.00 0.00 C ATOM 89 CD GLU A 10 -10.352 -11.748 -0.903 1.00 0.00 C ATOM 90 OE1 GLU A 10 -11.355 -12.472 -0.731 1.00 0.00 O ATOM 91 OE2 GLU A 10 -9.239 -12.191 -1.254 1.00 0.00 O ATOM 0 H GLU A 10 -11.952 -7.789 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.796 -8.279 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.575 -10.334 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.140 -10.432 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.068 -9.819 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.507 -9.794 -0.692 1.00 0.00 H new ATOM 98 N LYS A 11 -10.102 -6.394 0.570 1.00 0.00 N ATOM 99 CA LYS A 11 -8.897 -5.580 0.467 1.00 0.00 C ATOM 100 C LYS A 11 -8.885 -4.488 1.532 1.00 0.00 C ATOM 101 O LYS A 11 -9.215 -3.330 1.272 1.00 0.00 O ATOM 102 CB LYS A 11 -8.799 -4.951 -0.924 1.00 0.00 C ATOM 103 CG LYS A 11 -8.145 -5.854 -1.956 1.00 0.00 C ATOM 104 CD LYS A 11 -9.127 -6.872 -2.508 1.00 0.00 C ATOM 105 CE LYS A 11 -10.003 -6.269 -3.596 1.00 0.00 C ATOM 106 NZ LYS A 11 -11.286 -7.009 -3.749 1.00 0.00 N ATOM 0 H LYS A 11 -10.972 -5.874 0.459 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.036 -6.229 0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.800 -4.688 -1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.232 -4.023 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.750 -5.249 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.299 -6.371 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.581 -7.725 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.755 -7.248 -1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.212 -5.226 -3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.464 -6.278 -4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.854 -6.567 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.088 -7.998 -4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.813 -6.979 -2.853 1.00 0.00 H new ATOM 120 N PRO A 12 -8.495 -4.861 2.760 1.00 0.00 N ATOM 121 CA PRO A 12 -8.429 -3.927 3.888 1.00 0.00 C ATOM 122 C PRO A 12 -7.304 -2.910 3.733 1.00 0.00 C ATOM 123 O PRO A 12 -7.098 -2.061 4.601 1.00 0.00 O ATOM 124 CB PRO A 12 -8.165 -4.839 5.088 1.00 0.00 C ATOM 125 CG PRO A 12 -7.498 -6.040 4.512 1.00 0.00 C ATOM 126 CD PRO A 12 -8.088 -6.224 3.141 1.00 0.00 C ATOM 0 HA PRO A 12 -9.338 -3.333 3.979 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.529 -4.349 5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.093 -5.106 5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.419 -5.898 4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.672 -6.919 5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.360 -6.636 2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.937 -6.907 3.157 1.00 0.00 H new ATOM 134 N TYR A 13 -6.579 -3.000 2.624 1.00 0.00 N ATOM 135 CA TYR A 13 -5.473 -2.089 2.357 1.00 0.00 C ATOM 136 C TYR A 13 -5.880 -1.020 1.347 1.00 0.00 C ATOM 137 O TYR A 13 -6.941 -1.105 0.729 1.00 0.00 O ATOM 138 CB TYR A 13 -4.261 -2.863 1.836 1.00 0.00 C ATOM 139 CG TYR A 13 -4.001 -4.153 2.581 1.00 0.00 C ATOM 140 CD1 TYR A 13 -4.595 -5.342 2.179 1.00 0.00 C ATOM 141 CD2 TYR A 13 -3.162 -4.182 3.689 1.00 0.00 C ATOM 142 CE1 TYR A 13 -4.361 -6.523 2.857 1.00 0.00 C ATOM 143 CE2 TYR A 13 -2.921 -5.358 4.372 1.00 0.00 C ATOM 144 CZ TYR A 13 -3.523 -6.526 3.952 1.00 0.00 C ATOM 145 OH TYR A 13 -3.287 -7.699 4.631 1.00 0.00 O ATOM 0 H TYR A 13 -6.738 -3.695 1.895 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.207 -1.597 3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.410 -3.087 0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.378 -2.228 1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.251 -5.344 1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.690 -3.269 4.022 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.832 -7.439 2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.265 -5.363 5.230 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.674 -7.528 5.376 1.00 0.00 H new ATOM 155 N GLY A 14 -5.027 -0.013 1.184 1.00 0.00 N ATOM 156 CA GLY A 14 -5.313 1.058 0.248 1.00 0.00 C ATOM 157 C GLY A 14 -4.507 2.309 0.535 1.00 0.00 C ATOM 158 O GLY A 14 -4.617 2.894 1.612 1.00 0.00 O ATOM 0 H GLY A 14 -4.143 0.080 1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.101 0.717 -0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.376 1.297 0.288 1.00 0.00 H new ATOM 162 N CYS A 15 -3.693 2.721 -0.432 1.00 0.00 N ATOM 163 CA CYS A 15 -2.862 3.909 -0.278 1.00 0.00 C ATOM 164 C CYS A 15 -3.689 5.089 0.225 1.00 0.00 C ATOM 165 O CYS A 15 -4.482 5.667 -0.518 1.00 0.00 O ATOM 166 CB CYS A 15 -2.198 4.268 -1.609 1.00 0.00 C ATOM 167 SG CYS A 15 -1.167 5.769 -1.544 1.00 0.00 S ATOM 0 H CYS A 15 -3.591 2.249 -1.331 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.089 3.689 0.458 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.581 3.430 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.972 4.404 -2.364 1.00 0.00 H new ATOM 172 N SER A 16 -3.498 5.441 1.493 1.00 0.00 N ATOM 173 CA SER A 16 -4.228 6.549 2.097 1.00 0.00 C ATOM 174 C SER A 16 -3.498 7.869 1.869 1.00 0.00 C ATOM 175 O SER A 16 -3.387 8.694 2.775 1.00 0.00 O ATOM 176 CB SER A 16 -4.413 6.308 3.597 1.00 0.00 C ATOM 177 OG SER A 16 -5.264 7.286 4.169 1.00 0.00 O ATOM 0 H SER A 16 -2.844 4.975 2.121 1.00 0.00 H new ATOM 0 HA SER A 16 -5.207 6.609 1.622 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.833 5.316 3.760 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.443 6.329 4.094 1.00 0.00 H new ATOM 0 HG SER A 16 -4.899 8.179 3.996 1.00 0.00 H new ATOM 183 N GLU A 17 -3.001 8.060 0.650 1.00 0.00 N ATOM 184 CA GLU A 17 -2.281 9.280 0.303 1.00 0.00 C ATOM 185 C GLU A 17 -2.834 9.891 -0.982 1.00 0.00 C ATOM 186 O GLU A 17 -3.205 11.064 -1.015 1.00 0.00 O ATOM 187 CB GLU A 17 -0.788 8.988 0.140 1.00 0.00 C ATOM 188 CG GLU A 17 -0.014 9.028 1.447 1.00 0.00 C ATOM 189 CD GLU A 17 0.400 10.433 1.837 1.00 0.00 C ATOM 190 OE1 GLU A 17 1.374 10.950 1.252 1.00 0.00 O ATOM 191 OE2 GLU A 17 -0.252 11.017 2.729 1.00 0.00 O ATOM 0 H GLU A 17 -3.084 7.387 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.418 9.996 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.666 8.005 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.358 9.714 -0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.626 8.600 2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.875 8.403 1.358 1.00 0.00 H new ATOM 198 N CYS A 18 -2.885 9.086 -2.038 1.00 0.00 N ATOM 199 CA CYS A 18 -3.391 9.546 -3.326 1.00 0.00 C ATOM 200 C CYS A 18 -4.761 8.940 -3.620 1.00 0.00 C ATOM 201 O CYS A 18 -5.684 9.639 -4.034 1.00 0.00 O ATOM 202 CB CYS A 18 -2.410 9.182 -4.442 1.00 0.00 C ATOM 203 SG CYS A 18 -2.313 7.397 -4.794 1.00 0.00 S ATOM 0 H CYS A 18 -2.582 8.112 -2.027 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.495 10.630 -3.282 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.701 9.706 -5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.418 9.542 -4.171 1.00 0.00 H new ATOM 208 N GLY A 19 -4.883 7.634 -3.402 1.00 0.00 N ATOM 209 CA GLY A 19 -6.142 6.956 -3.649 1.00 0.00 C ATOM 210 C GLY A 19 -5.994 5.787 -4.602 1.00 0.00 C ATOM 211 O GLY A 19 -6.674 5.721 -5.627 1.00 0.00 O ATOM 0 H GLY A 19 -4.133 7.034 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.551 6.600 -2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.859 7.667 -4.059 1.00 0.00 H new ATOM 215 N LYS A 20 -5.101 4.861 -4.267 1.00 0.00 N ATOM 216 CA LYS A 20 -4.864 3.689 -5.101 1.00 0.00 C ATOM 217 C LYS A 20 -4.825 2.420 -4.256 1.00 0.00 C ATOM 218 O LYS A 20 -3.886 2.202 -3.490 1.00 0.00 O ATOM 219 CB LYS A 20 -3.551 3.842 -5.872 1.00 0.00 C ATOM 220 CG LYS A 20 -3.675 4.698 -7.120 1.00 0.00 C ATOM 221 CD LYS A 20 -2.349 4.810 -7.853 1.00 0.00 C ATOM 222 CE LYS A 20 -2.541 5.295 -9.282 1.00 0.00 C ATOM 223 NZ LYS A 20 -1.281 5.208 -10.071 1.00 0.00 N ATOM 0 H LYS A 20 -4.529 4.900 -3.423 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.687 3.607 -5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.802 4.281 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.188 2.854 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.424 4.268 -7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.026 5.693 -6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.694 5.498 -7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.853 3.839 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.315 4.700 -9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.892 6.327 -9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.453 5.547 -11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.550 5.796 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.959 4.220 -10.103 1.00 0.00 H new ATOM 237 N ALA A 21 -5.849 1.585 -4.401 1.00 0.00 N ATOM 238 CA ALA A 21 -5.929 0.336 -3.653 1.00 0.00 C ATOM 239 C ALA A 21 -5.413 -0.834 -4.484 1.00 0.00 C ATOM 240 O ALA A 21 -5.636 -0.896 -5.693 1.00 0.00 O ATOM 241 CB ALA A 21 -7.360 0.079 -3.207 1.00 0.00 C ATOM 0 H ALA A 21 -6.635 1.751 -5.030 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.297 0.428 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.405 -0.857 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.695 0.897 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.007 0.012 -4.082 1.00 0.00 H new ATOM 247 N PHE A 22 -4.723 -1.761 -3.827 1.00 0.00 N ATOM 248 CA PHE A 22 -4.175 -2.930 -4.506 1.00 0.00 C ATOM 249 C PHE A 22 -4.749 -4.217 -3.922 1.00 0.00 C ATOM 250 O PHE A 22 -5.333 -4.213 -2.838 1.00 0.00 O ATOM 251 CB PHE A 22 -2.649 -2.941 -4.393 1.00 0.00 C ATOM 252 CG PHE A 22 -1.995 -1.721 -4.975 1.00 0.00 C ATOM 253 CD1 PHE A 22 -1.897 -0.553 -4.237 1.00 0.00 C ATOM 254 CD2 PHE A 22 -1.479 -1.743 -6.261 1.00 0.00 C ATOM 255 CE1 PHE A 22 -1.295 0.572 -4.770 1.00 0.00 C ATOM 256 CE2 PHE A 22 -0.876 -0.621 -6.799 1.00 0.00 C ATOM 257 CZ PHE A 22 -0.785 0.538 -6.053 1.00 0.00 C ATOM 0 H PHE A 22 -4.530 -1.725 -2.826 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.455 -2.874 -5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.371 -3.026 -3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.262 -3.826 -4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.295 -0.521 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.549 -2.646 -6.849 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.224 1.476 -4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.476 -0.651 -7.802 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.316 1.416 -6.472 1.00 0.00 H new ATOM 267 N SER A 23 -4.579 -5.317 -4.649 1.00 0.00 N ATOM 268 CA SER A 23 -5.084 -6.611 -4.207 1.00 0.00 C ATOM 269 C SER A 23 -4.378 -7.063 -2.932 1.00 0.00 C ATOM 270 O SER A 23 -5.022 -7.422 -1.946 1.00 0.00 O ATOM 271 CB SER A 23 -4.897 -7.658 -5.306 1.00 0.00 C ATOM 272 OG SER A 23 -5.820 -7.460 -6.362 1.00 0.00 O ATOM 0 H SER A 23 -4.095 -5.337 -5.547 1.00 0.00 H new ATOM 0 HA SER A 23 -6.148 -6.505 -3.994 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.880 -7.605 -5.694 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.027 -8.656 -4.888 1.00 0.00 H new ATOM 0 HG SER A 23 -5.678 -8.141 -7.052 1.00 0.00 H new ATOM 278 N SER A 24 -3.049 -7.043 -2.961 1.00 0.00 N ATOM 279 CA SER A 24 -2.254 -7.454 -1.810 1.00 0.00 C ATOM 280 C SER A 24 -1.535 -6.259 -1.191 1.00 0.00 C ATOM 281 O SER A 24 -1.400 -5.208 -1.818 1.00 0.00 O ATOM 282 CB SER A 24 -1.235 -8.519 -2.221 1.00 0.00 C ATOM 283 OG SER A 24 -0.252 -7.977 -3.085 1.00 0.00 O ATOM 0 H SER A 24 -2.501 -6.747 -3.769 1.00 0.00 H new ATOM 0 HA SER A 24 -2.930 -7.875 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.756 -8.931 -1.333 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.746 -9.343 -2.718 1.00 0.00 H new ATOM 0 HG SER A 24 0.388 -8.677 -3.332 1.00 0.00 H new ATOM 289 N LYS A 25 -1.075 -6.428 0.044 1.00 0.00 N ATOM 290 CA LYS A 25 -0.369 -5.365 0.749 1.00 0.00 C ATOM 291 C LYS A 25 0.931 -5.008 0.035 1.00 0.00 C ATOM 292 O LYS A 25 1.330 -3.844 -0.004 1.00 0.00 O ATOM 293 CB LYS A 25 -0.072 -5.790 2.189 1.00 0.00 C ATOM 294 CG LYS A 25 0.761 -7.056 2.290 1.00 0.00 C ATOM 295 CD LYS A 25 1.580 -7.085 3.570 1.00 0.00 C ATOM 296 CE LYS A 25 0.757 -7.585 4.747 1.00 0.00 C ATOM 297 NZ LYS A 25 0.635 -9.069 4.748 1.00 0.00 N ATOM 0 H LYS A 25 -1.179 -7.291 0.577 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.010 -4.483 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.450 -4.980 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.014 -5.942 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.106 -7.927 2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.427 -7.124 1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.449 -7.729 3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.955 -6.085 3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.219 -7.258 5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.237 -7.139 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.067 -9.370 5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.171 -9.380 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.582 -9.495 4.808 1.00 0.00 H new ATOM 311 N SER A 26 1.587 -6.017 -0.529 1.00 0.00 N ATOM 312 CA SER A 26 2.844 -5.810 -1.240 1.00 0.00 C ATOM 313 C SER A 26 2.674 -4.783 -2.355 1.00 0.00 C ATOM 314 O SER A 26 3.359 -3.760 -2.382 1.00 0.00 O ATOM 315 CB SER A 26 3.349 -7.132 -1.821 1.00 0.00 C ATOM 316 OG SER A 26 4.107 -7.853 -0.866 1.00 0.00 O ATOM 0 H SER A 26 1.269 -6.986 -0.508 1.00 0.00 H new ATOM 0 HA SER A 26 3.578 -5.430 -0.529 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.503 -7.736 -2.149 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.960 -6.936 -2.702 1.00 0.00 H new ATOM 0 HG SER A 26 4.416 -8.694 -1.262 1.00 0.00 H new ATOM 322 N TYR A 27 1.756 -5.063 -3.273 1.00 0.00 N ATOM 323 CA TYR A 27 1.497 -4.165 -4.393 1.00 0.00 C ATOM 324 C TYR A 27 1.324 -2.728 -3.910 1.00 0.00 C ATOM 325 O TYR A 27 1.738 -1.781 -4.581 1.00 0.00 O ATOM 326 CB TYR A 27 0.247 -4.613 -5.154 1.00 0.00 C ATOM 327 CG TYR A 27 0.537 -5.585 -6.275 1.00 0.00 C ATOM 328 CD1 TYR A 27 1.432 -5.263 -7.287 1.00 0.00 C ATOM 329 CD2 TYR A 27 -0.083 -6.828 -6.320 1.00 0.00 C ATOM 330 CE1 TYR A 27 1.699 -6.148 -8.313 1.00 0.00 C ATOM 331 CE2 TYR A 27 0.179 -7.720 -7.342 1.00 0.00 C ATOM 332 CZ TYR A 27 1.070 -7.376 -8.336 1.00 0.00 C ATOM 333 OH TYR A 27 1.335 -8.261 -9.356 1.00 0.00 O ATOM 0 H TYR A 27 1.179 -5.904 -3.264 1.00 0.00 H new ATOM 0 HA TYR A 27 2.356 -4.203 -5.063 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.448 -5.076 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.252 -3.735 -5.565 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.928 -4.304 -7.271 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.781 -7.101 -5.543 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.396 -5.880 -9.093 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.312 -8.682 -7.362 1.00 0.00 H new ATOM 0 HH TYR A 27 0.812 -9.079 -9.224 1.00 0.00 H new ATOM 343 N LEU A 28 0.711 -2.573 -2.742 1.00 0.00 N ATOM 344 CA LEU A 28 0.483 -1.252 -2.167 1.00 0.00 C ATOM 345 C LEU A 28 1.786 -0.652 -1.648 1.00 0.00 C ATOM 346 O LEU A 28 2.075 0.523 -1.877 1.00 0.00 O ATOM 347 CB LEU A 28 -0.540 -1.337 -1.033 1.00 0.00 C ATOM 348 CG LEU A 28 -0.669 -0.095 -0.151 1.00 0.00 C ATOM 349 CD1 LEU A 28 -1.254 1.064 -0.942 1.00 0.00 C ATOM 350 CD2 LEU A 28 -1.526 -0.395 1.071 1.00 0.00 C ATOM 0 H LEU A 28 0.363 -3.346 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 28 0.093 -0.604 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.516 -1.553 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.279 -2.184 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 28 0.327 0.190 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.338 1.939 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.602 1.295 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.242 0.790 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.607 0.500 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.520 -0.706 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.065 -1.194 1.651 1.00 0.00 H new ATOM 362 N ILE A 29 2.569 -1.467 -0.949 1.00 0.00 N ATOM 363 CA ILE A 29 3.842 -1.017 -0.400 1.00 0.00 C ATOM 364 C ILE A 29 4.759 -0.492 -1.499 1.00 0.00 C ATOM 365 O ILE A 29 5.291 0.614 -1.401 1.00 0.00 O ATOM 366 CB ILE A 29 4.561 -2.151 0.355 1.00 0.00 C ATOM 367 CG1 ILE A 29 3.712 -2.625 1.536 1.00 0.00 C ATOM 368 CG2 ILE A 29 5.929 -1.685 0.832 1.00 0.00 C ATOM 369 CD1 ILE A 29 4.040 -4.030 1.990 1.00 0.00 C ATOM 0 H ILE A 29 2.344 -2.442 -0.750 1.00 0.00 H new ATOM 0 HA ILE A 29 3.618 -0.211 0.299 1.00 0.00 H new ATOM 0 HB ILE A 29 4.702 -2.990 -0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.852 -1.940 2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.659 -2.578 1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.425 -2.497 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.533 -1.391 -0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.810 -0.833 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.400 -4.300 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.873 -4.726 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.084 -4.078 2.299 1.00 0.00 H new ATOM 381 N ILE A 30 4.938 -1.291 -2.545 1.00 0.00 N ATOM 382 CA ILE A 30 5.789 -0.905 -3.664 1.00 0.00 C ATOM 383 C ILE A 30 5.371 0.448 -4.231 1.00 0.00 C ATOM 384 O ILE A 30 6.201 1.202 -4.741 1.00 0.00 O ATOM 385 CB ILE A 30 5.749 -1.955 -4.790 1.00 0.00 C ATOM 386 CG1 ILE A 30 6.108 -3.338 -4.241 1.00 0.00 C ATOM 387 CG2 ILE A 30 6.696 -1.563 -5.914 1.00 0.00 C ATOM 388 CD1 ILE A 30 5.470 -4.476 -5.007 1.00 0.00 C ATOM 0 H ILE A 30 4.505 -2.210 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 30 6.806 -0.836 -3.278 1.00 0.00 H new ATOM 0 HB ILE A 30 4.737 -1.996 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.191 -3.459 -4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.801 -3.396 -3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.656 -2.315 -6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.399 -0.596 -6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.713 -1.497 -5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.768 -5.426 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.385 -4.380 -4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.797 -4.443 -6.046 1.00 0.00 H new ATOM 400 N HIS A 31 4.081 0.750 -4.136 1.00 0.00 N ATOM 401 CA HIS A 31 3.553 2.014 -4.637 1.00 0.00 C ATOM 402 C HIS A 31 3.894 3.160 -3.688 1.00 0.00 C ATOM 403 O HIS A 31 4.319 4.230 -4.120 1.00 0.00 O ATOM 404 CB HIS A 31 2.038 1.922 -4.819 1.00 0.00 C ATOM 405 CG HIS A 31 1.376 3.251 -5.021 1.00 0.00 C ATOM 406 ND1 HIS A 31 1.418 3.938 -6.216 1.00 0.00 N ATOM 407 CD2 HIS A 31 0.653 4.018 -4.173 1.00 0.00 C ATOM 408 CE1 HIS A 31 0.750 5.071 -6.093 1.00 0.00 C ATOM 409 NE2 HIS A 31 0.276 5.143 -4.862 1.00 0.00 N ATOM 0 H HIS A 31 3.382 0.137 -3.717 1.00 0.00 H new ATOM 0 HA HIS A 31 4.016 2.215 -5.603 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.822 1.284 -5.676 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.604 1.439 -3.944 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.891 3.621 -7.062 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.417 3.788 -3.145 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.614 5.812 -6.867 1.00 0.00 H new ATOM 417 N MET A 32 3.703 2.926 -2.394 1.00 0.00 N ATOM 418 CA MET A 32 3.991 3.938 -1.384 1.00 0.00 C ATOM 419 C MET A 32 5.420 4.455 -1.524 1.00 0.00 C ATOM 420 O MET A 32 5.759 5.519 -1.006 1.00 0.00 O ATOM 421 CB MET A 32 3.779 3.366 0.018 1.00 0.00 C ATOM 422 CG MET A 32 2.323 3.071 0.340 1.00 0.00 C ATOM 423 SD MET A 32 1.259 4.511 0.130 1.00 0.00 S ATOM 424 CE MET A 32 1.091 5.059 1.827 1.00 0.00 C ATOM 0 H MET A 32 3.350 2.045 -2.020 1.00 0.00 H new ATOM 0 HA MET A 32 3.305 4.771 -1.536 1.00 0.00 H new ATOM 0 HB2 MET A 32 4.358 2.448 0.118 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.169 4.071 0.752 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.969 2.266 -0.303 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.247 2.715 1.367 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.458 5.946 1.862 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.638 4.266 2.422 1.00 0.00 H new ATOM 0 HE3 MET A 32 2.075 5.299 2.231 1.00 0.00 H new ATOM 434 N ARG A 33 6.253 3.694 -2.227 1.00 0.00 N ATOM 435 CA ARG A 33 7.645 4.074 -2.433 1.00 0.00 C ATOM 436 C ARG A 33 7.744 5.485 -3.006 1.00 0.00 C ATOM 437 O ARG A 33 8.709 6.206 -2.748 1.00 0.00 O ATOM 438 CB ARG A 33 8.334 3.082 -3.372 1.00 0.00 C ATOM 439 CG ARG A 33 8.692 1.763 -2.707 1.00 0.00 C ATOM 440 CD ARG A 33 9.488 0.865 -3.641 1.00 0.00 C ATOM 441 NE ARG A 33 10.727 1.498 -4.085 1.00 0.00 N ATOM 442 CZ ARG A 33 10.800 2.326 -5.121 1.00 0.00 C ATOM 443 NH1 ARG A 33 9.710 2.620 -5.817 1.00 0.00 N ATOM 444 NH2 ARG A 33 11.964 2.863 -5.463 1.00 0.00 N ATOM 0 H ARG A 33 5.988 2.811 -2.663 1.00 0.00 H new ATOM 0 HA ARG A 33 8.147 4.056 -1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.681 2.885 -4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.242 3.539 -3.767 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.272 1.955 -1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.781 1.251 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.721 -0.071 -3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.878 0.613 -4.509 1.00 0.00 H new ATOM 0 HE ARG A 33 11.584 1.293 -3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.813 2.210 -5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.769 3.256 -6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.805 2.640 -4.930 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.018 3.499 -6.259 1.00 0.00 H new ATOM 458 N THR A 34 6.741 5.873 -3.787 1.00 0.00 N ATOM 459 CA THR A 34 6.715 7.196 -4.399 1.00 0.00 C ATOM 460 C THR A 34 6.219 8.247 -3.413 1.00 0.00 C ATOM 461 O THR A 34 6.492 9.438 -3.570 1.00 0.00 O ATOM 462 CB THR A 34 5.818 7.219 -5.651 1.00 0.00 C ATOM 463 OG1 THR A 34 5.852 8.517 -6.254 1.00 0.00 O ATOM 464 CG2 THR A 34 4.384 6.855 -5.296 1.00 0.00 C ATOM 0 H THR A 34 5.935 5.289 -4.011 1.00 0.00 H new ATOM 0 HA THR A 34 7.739 7.429 -4.691 1.00 0.00 H new ATOM 0 HB THR A 34 6.198 6.481 -6.358 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.280 8.523 -7.050 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.769 6.878 -6.196 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.359 5.854 -4.865 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.995 7.572 -4.573 1.00 0.00 H new ATOM 472 N HIS A 35 5.488 7.801 -2.396 1.00 0.00 N ATOM 473 CA HIS A 35 4.955 8.705 -1.383 1.00 0.00 C ATOM 474 C HIS A 35 5.942 8.874 -0.232 1.00 0.00 C ATOM 475 O HIS A 35 5.854 8.180 0.781 1.00 0.00 O ATOM 476 CB HIS A 35 3.620 8.180 -0.853 1.00 0.00 C ATOM 477 CG HIS A 35 2.494 8.311 -1.831 1.00 0.00 C ATOM 478 ND1 HIS A 35 2.212 9.482 -2.502 1.00 0.00 N ATOM 479 CD2 HIS A 35 1.577 7.408 -2.252 1.00 0.00 C ATOM 480 CE1 HIS A 35 1.170 9.295 -3.292 1.00 0.00 C ATOM 481 NE2 HIS A 35 0.766 8.044 -3.159 1.00 0.00 N ATOM 0 H HIS A 35 5.251 6.819 -2.252 1.00 0.00 H new ATOM 0 HA HIS A 35 4.796 9.678 -1.847 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.734 7.131 -0.581 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.363 8.719 0.059 1.00 0.00 H new ATOM 0 HD1 HIS A 35 2.728 10.357 -2.404 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.498 6.379 -1.934 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.724 10.038 -3.937 1.00 0.00 H new ATOM 489 N SER A 36 6.881 9.800 -0.395 1.00 0.00 N ATOM 490 CA SER A 36 7.888 10.057 0.628 1.00 0.00 C ATOM 491 C SER A 36 8.724 11.282 0.272 1.00 0.00 C ATOM 492 O SER A 36 9.390 11.315 -0.761 1.00 0.00 O ATOM 493 CB SER A 36 8.796 8.837 0.797 1.00 0.00 C ATOM 494 OG SER A 36 9.519 8.571 -0.392 1.00 0.00 O ATOM 0 H SER A 36 6.966 10.385 -1.226 1.00 0.00 H new ATOM 0 HA SER A 36 7.373 10.251 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.491 9.008 1.619 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.196 7.967 1.064 1.00 0.00 H new ATOM 0 HG SER A 36 9.702 9.413 -0.859 1.00 0.00 H new ATOM 500 N GLY A 37 8.683 12.291 1.138 1.00 0.00 N ATOM 501 CA GLY A 37 9.439 13.505 0.899 1.00 0.00 C ATOM 502 C GLY A 37 9.653 14.314 2.163 1.00 0.00 C ATOM 503 O GLY A 37 9.176 15.444 2.272 1.00 0.00 O ATOM 0 H GLY A 37 8.139 12.288 2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.407 13.248 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.915 14.117 0.164 1.00 0.00 H new ATOM 507 N GLU A 38 10.369 13.735 3.121 1.00 0.00 N ATOM 508 CA GLU A 38 10.641 14.410 4.385 1.00 0.00 C ATOM 509 C GLU A 38 12.130 14.710 4.532 1.00 0.00 C ATOM 510 O GLU A 38 12.977 13.963 4.041 1.00 0.00 O ATOM 511 CB GLU A 38 10.164 13.553 5.559 1.00 0.00 C ATOM 512 CG GLU A 38 10.971 12.281 5.752 1.00 0.00 C ATOM 513 CD GLU A 38 10.642 11.219 4.721 1.00 0.00 C ATOM 514 OE1 GLU A 38 9.453 11.088 4.362 1.00 0.00 O ATOM 515 OE2 GLU A 38 11.574 10.518 4.273 1.00 0.00 O ATOM 0 H GLU A 38 10.771 12.801 3.046 1.00 0.00 H new ATOM 0 HA GLU A 38 10.096 15.354 4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.211 14.145 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.118 13.289 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.034 12.518 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.783 11.884 6.750 1.00 0.00 H new ATOM 522 N LYS A 39 12.442 15.809 5.210 1.00 0.00 N ATOM 523 CA LYS A 39 13.828 16.209 5.424 1.00 0.00 C ATOM 524 C LYS A 39 13.923 17.291 6.495 1.00 0.00 C ATOM 525 O LYS A 39 13.094 18.198 6.571 1.00 0.00 O ATOM 526 CB LYS A 39 14.441 16.716 4.117 1.00 0.00 C ATOM 527 CG LYS A 39 15.937 16.471 4.012 1.00 0.00 C ATOM 528 CD LYS A 39 16.435 16.667 2.590 1.00 0.00 C ATOM 529 CE LYS A 39 17.869 16.186 2.430 1.00 0.00 C ATOM 530 NZ LYS A 39 17.945 14.705 2.292 1.00 0.00 N ATOM 0 H LYS A 39 11.753 16.439 5.621 1.00 0.00 H new ATOM 0 HA LYS A 39 14.384 15.335 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.942 16.230 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.249 17.785 4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.466 17.150 4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.165 15.457 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.789 16.125 1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.372 17.722 2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.314 16.656 1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.456 16.501 3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.939 14.417 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 17.544 14.256 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.406 14.406 1.454 1.00 0.00 H new ATOM 544 N PRO A 40 14.957 17.195 7.344 1.00 0.00 N ATOM 545 CA PRO A 40 15.186 18.159 8.425 1.00 0.00 C ATOM 546 C PRO A 40 15.614 19.526 7.902 1.00 0.00 C ATOM 547 O PRO A 40 15.045 20.551 8.278 1.00 0.00 O ATOM 548 CB PRO A 40 16.315 17.519 9.237 1.00 0.00 C ATOM 549 CG PRO A 40 17.031 16.645 8.266 1.00 0.00 C ATOM 550 CD PRO A 40 15.984 16.140 7.313 1.00 0.00 C ATOM 0 HA PRO A 40 14.281 18.347 9.002 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.980 18.275 9.655 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.923 16.942 10.074 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.804 17.202 7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.526 15.818 8.776 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.387 16.001 6.310 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.582 15.178 7.631 1.00 0.00 H new ATOM 558 N SER A 41 16.619 19.534 7.032 1.00 0.00 N ATOM 559 CA SER A 41 17.125 20.776 6.460 1.00 0.00 C ATOM 560 C SER A 41 17.044 20.745 4.937 1.00 0.00 C ATOM 561 O SER A 41 17.327 19.726 4.310 1.00 0.00 O ATOM 562 CB SER A 41 18.571 21.013 6.901 1.00 0.00 C ATOM 563 OG SER A 41 19.150 22.094 6.191 1.00 0.00 O ATOM 0 H SER A 41 17.099 18.694 6.708 1.00 0.00 H new ATOM 0 HA SER A 41 16.503 21.595 6.823 1.00 0.00 H new ATOM 0 HB2 SER A 41 18.599 21.220 7.971 1.00 0.00 H new ATOM 0 HB3 SER A 41 19.158 20.109 6.736 1.00 0.00 H new ATOM 0 HG SER A 41 20.073 22.226 6.492 1.00 0.00 H new ATOM 569 N GLY A 42 16.655 21.872 4.349 1.00 0.00 N ATOM 570 CA GLY A 42 16.543 21.955 2.904 1.00 0.00 C ATOM 571 C GLY A 42 17.882 22.177 2.230 1.00 0.00 C ATOM 572 O GLY A 42 18.794 22.780 2.797 1.00 0.00 O ATOM 0 H GLY A 42 16.415 22.729 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.097 21.036 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.868 22.770 2.641 1.00 0.00 H new ATOM 576 N PRO A 43 18.016 21.680 0.992 1.00 0.00 N ATOM 577 CA PRO A 43 19.251 21.814 0.214 1.00 0.00 C ATOM 578 C PRO A 43 19.504 23.251 -0.230 1.00 0.00 C ATOM 579 O PRO A 43 20.594 23.585 -0.692 1.00 0.00 O ATOM 580 CB PRO A 43 19.005 20.915 -1.000 1.00 0.00 C ATOM 581 CG PRO A 43 17.523 20.866 -1.141 1.00 0.00 C ATOM 582 CD PRO A 43 16.971 20.949 0.255 1.00 0.00 C ATOM 0 HA PRO A 43 20.131 21.537 0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 43 19.475 21.322 -1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 43 19.421 19.919 -0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 43 17.162 21.692 -1.753 1.00 0.00 H new ATOM 0 HG3 PRO A 43 17.208 19.945 -1.631 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.018 21.477 0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.798 19.960 0.678 1.00 0.00 H new ATOM 590 N SER A 44 18.489 24.097 -0.086 1.00 0.00 N ATOM 591 CA SER A 44 18.600 25.498 -0.475 1.00 0.00 C ATOM 592 C SER A 44 19.906 26.100 0.033 1.00 0.00 C ATOM 593 O SER A 44 19.971 26.619 1.148 1.00 0.00 O ATOM 594 CB SER A 44 17.412 26.296 0.066 1.00 0.00 C ATOM 595 OG SER A 44 16.185 25.664 -0.254 1.00 0.00 O ATOM 0 H SER A 44 17.580 23.837 0.297 1.00 0.00 H new ATOM 0 HA SER A 44 18.596 25.549 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.501 26.398 1.148 1.00 0.00 H new ATOM 0 HB3 SER A 44 17.426 27.303 -0.351 1.00 0.00 H new ATOM 0 HG SER A 44 15.442 26.193 0.104 1.00 0.00 H new ATOM 601 N SER A 45 20.945 26.028 -0.793 1.00 0.00 N ATOM 602 CA SER A 45 22.252 26.562 -0.426 1.00 0.00 C ATOM 603 C SER A 45 22.549 26.308 1.048 1.00 0.00 C ATOM 604 O SER A 45 22.999 27.200 1.765 1.00 0.00 O ATOM 605 CB SER A 45 22.312 28.063 -0.719 1.00 0.00 C ATOM 606 OG SER A 45 23.653 28.520 -0.762 1.00 0.00 O ATOM 0 H SER A 45 20.907 25.605 -1.721 1.00 0.00 H new ATOM 0 HA SER A 45 23.007 26.051 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 45 21.823 28.271 -1.671 1.00 0.00 H new ATOM 0 HB3 SER A 45 21.763 28.609 0.048 1.00 0.00 H new ATOM 0 HG SER A 45 24.101 28.299 0.081 1.00 0.00 H new ATOM 612 N GLY A 46 22.293 25.082 1.494 1.00 0.00 N ATOM 613 CA GLY A 46 22.539 24.730 2.881 1.00 0.00 C ATOM 614 C GLY A 46 22.403 23.242 3.134 1.00 0.00 C ATOM 615 O GLY A 46 21.699 22.568 2.383 1.00 0.00 O ATOM 0 H GLY A 46 21.920 24.326 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 46 23.541 25.053 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 46 21.839 25.269 3.519 1.00 0.00 H new TER 619 GLY A 46 HETATM 620 ZN ZN A 201 -0.555 6.460 -3.531 1.00 0.00 ZN