USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 0.127 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 57:sc= 0.336 USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.0101 (180deg=-0.23) USER MOD Single : A 17 THR OG1 : rot -19:sc= 0.305 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 165:sc= -3! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0607) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.337 K(o=-0.34,f=-3.4!) USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0216) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.549 31.564 17.630 1.00 0.00 N ATOM 2 CA GLY A 1 -22.614 31.585 18.740 1.00 0.00 C ATOM 3 C GLY A 1 -21.590 30.471 18.657 1.00 0.00 C ATOM 4 O GLY A 1 -20.393 30.705 18.828 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.228 32.345 17.733 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.029 31.673 16.736 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.061 30.659 17.624 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.100 32.546 18.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.165 31.499 19.677 1.00 0.00 H new ATOM 8 N SER A 2 -22.060 29.256 18.395 1.00 0.00 N ATOM 9 CA SER A 2 -21.176 28.100 18.295 1.00 0.00 C ATOM 10 C SER A 2 -21.032 27.650 16.844 1.00 0.00 C ATOM 11 O SER A 2 -19.929 27.620 16.299 1.00 0.00 O ATOM 12 CB SER A 2 -21.711 26.947 19.147 1.00 0.00 C ATOM 13 OG SER A 2 -20.662 26.091 19.563 1.00 0.00 O ATOM 0 H SER A 2 -23.047 29.046 18.248 1.00 0.00 H new ATOM 0 HA SER A 2 -20.194 28.392 18.666 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.228 27.345 20.020 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.444 26.378 18.575 1.00 0.00 H new ATOM 0 HG SER A 2 -21.030 25.364 20.107 1.00 0.00 H new ATOM 19 N SER A 3 -22.155 27.302 16.225 1.00 0.00 N ATOM 20 CA SER A 3 -22.155 26.850 14.838 1.00 0.00 C ATOM 21 C SER A 3 -21.356 27.804 13.956 1.00 0.00 C ATOM 22 O SER A 3 -21.603 29.009 13.943 1.00 0.00 O ATOM 23 CB SER A 3 -23.589 26.735 14.317 1.00 0.00 C ATOM 24 OG SER A 3 -24.246 27.989 14.351 1.00 0.00 O ATOM 0 H SER A 3 -23.077 27.324 16.661 1.00 0.00 H new ATOM 0 HA SER A 3 -21.683 25.868 14.801 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.579 26.354 13.296 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.142 26.015 14.920 1.00 0.00 H new ATOM 0 HG SER A 3 -23.580 28.708 14.343 1.00 0.00 H new ATOM 30 N GLY A 4 -20.396 27.254 13.219 1.00 0.00 N ATOM 31 CA GLY A 4 -19.574 28.070 12.343 1.00 0.00 C ATOM 32 C GLY A 4 -18.949 27.266 11.220 1.00 0.00 C ATOM 33 O GLY A 4 -17.727 27.152 11.135 1.00 0.00 O ATOM 0 H GLY A 4 -20.173 26.259 13.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.182 28.869 11.919 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.786 28.545 12.928 1.00 0.00 H new ATOM 37 N SER A 5 -19.790 26.706 10.357 1.00 0.00 N ATOM 38 CA SER A 5 -19.314 25.904 9.236 1.00 0.00 C ATOM 39 C SER A 5 -18.256 26.660 8.438 1.00 0.00 C ATOM 40 O SER A 5 -18.557 27.647 7.767 1.00 0.00 O ATOM 41 CB SER A 5 -20.480 25.520 8.324 1.00 0.00 C ATOM 42 OG SER A 5 -20.185 24.348 7.584 1.00 0.00 O ATOM 0 H SER A 5 -20.805 26.793 10.412 1.00 0.00 H new ATOM 0 HA SER A 5 -18.862 24.996 9.637 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.376 25.360 8.923 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.696 26.341 7.640 1.00 0.00 H new ATOM 0 HG SER A 5 -20.947 24.123 7.010 1.00 0.00 H new ATOM 48 N SER A 6 -17.016 26.190 8.516 1.00 0.00 N ATOM 49 CA SER A 6 -15.911 26.823 7.804 1.00 0.00 C ATOM 50 C SER A 6 -15.662 26.134 6.466 1.00 0.00 C ATOM 51 O SER A 6 -15.940 24.947 6.304 1.00 0.00 O ATOM 52 CB SER A 6 -14.640 26.785 8.655 1.00 0.00 C ATOM 53 OG SER A 6 -13.778 27.861 8.330 1.00 0.00 O ATOM 0 H SER A 6 -16.750 25.373 9.065 1.00 0.00 H new ATOM 0 HA SER A 6 -16.181 27.862 7.613 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.904 26.833 9.711 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.122 25.839 8.498 1.00 0.00 H new ATOM 0 HG SER A 6 -12.974 27.816 8.888 1.00 0.00 H new ATOM 59 N GLY A 7 -15.135 26.891 5.507 1.00 0.00 N ATOM 60 CA GLY A 7 -14.857 26.338 4.195 1.00 0.00 C ATOM 61 C GLY A 7 -13.844 25.211 4.243 1.00 0.00 C ATOM 62 O GLY A 7 -12.641 25.442 4.126 1.00 0.00 O ATOM 0 H GLY A 7 -14.896 27.877 5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.784 25.970 3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.486 27.128 3.542 1.00 0.00 H new ATOM 66 N GLY A 8 -14.331 23.986 4.418 1.00 0.00 N ATOM 67 CA GLY A 8 -13.447 22.838 4.481 1.00 0.00 C ATOM 68 C GLY A 8 -12.342 22.900 3.444 1.00 0.00 C ATOM 69 O GLY A 8 -12.608 23.035 2.249 1.00 0.00 O ATOM 0 H GLY A 8 -15.323 23.769 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.005 22.778 5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.028 21.927 4.335 1.00 0.00 H new ATOM 73 N THR A 9 -11.097 22.801 3.901 1.00 0.00 N ATOM 74 CA THR A 9 -9.949 22.850 3.006 1.00 0.00 C ATOM 75 C THR A 9 -9.407 21.452 2.730 1.00 0.00 C ATOM 76 O THR A 9 -9.054 20.719 3.654 1.00 0.00 O ATOM 77 CB THR A 9 -8.819 23.720 3.589 1.00 0.00 C ATOM 78 OG1 THR A 9 -9.334 24.998 3.976 1.00 0.00 O ATOM 79 CG2 THR A 9 -7.700 23.904 2.574 1.00 0.00 C ATOM 0 H THR A 9 -10.859 22.686 4.886 1.00 0.00 H new ATOM 0 HA THR A 9 -10.295 23.294 2.072 1.00 0.00 H new ATOM 0 HB THR A 9 -8.414 23.212 4.465 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.610 25.544 4.347 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.913 24.521 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.290 22.931 2.304 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.094 24.392 1.682 1.00 0.00 H new ATOM 87 N ASP A 10 -9.345 21.088 1.454 1.00 0.00 N ATOM 88 CA ASP A 10 -8.844 19.777 1.056 1.00 0.00 C ATOM 89 C ASP A 10 -7.495 19.900 0.356 1.00 0.00 C ATOM 90 O ASP A 10 -7.130 20.971 -0.128 1.00 0.00 O ATOM 91 CB ASP A 10 -9.849 19.082 0.135 1.00 0.00 C ATOM 92 CG ASP A 10 -11.020 18.492 0.897 1.00 0.00 C ATOM 93 OD1 ASP A 10 -10.781 17.800 1.908 1.00 0.00 O ATOM 94 OD2 ASP A 10 -12.175 18.721 0.480 1.00 0.00 O ATOM 0 H ASP A 10 -9.635 21.682 0.677 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.712 19.177 1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.220 19.797 -0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.343 18.291 -0.419 1.00 0.00 H new ATOM 99 N GLY A 11 -6.756 18.796 0.307 1.00 0.00 N ATOM 100 CA GLY A 11 -5.454 18.802 -0.335 1.00 0.00 C ATOM 101 C GLY A 11 -4.974 17.407 -0.684 1.00 0.00 C ATOM 102 O GLY A 11 -5.452 16.419 -0.126 1.00 0.00 O ATOM 0 H GLY A 11 -7.036 17.897 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.502 19.404 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.729 19.278 0.325 1.00 0.00 H new ATOM 106 N THR A 12 -4.025 17.325 -1.611 1.00 0.00 N ATOM 107 CA THR A 12 -3.481 16.041 -2.036 1.00 0.00 C ATOM 108 C THR A 12 -2.130 15.773 -1.383 1.00 0.00 C ATOM 109 O THR A 12 -1.082 16.091 -1.946 1.00 0.00 O ATOM 110 CB THR A 12 -3.320 15.979 -3.567 1.00 0.00 C ATOM 111 OG1 THR A 12 -2.611 17.133 -4.033 1.00 0.00 O ATOM 112 CG2 THR A 12 -4.676 15.900 -4.251 1.00 0.00 C ATOM 0 H THR A 12 -3.617 18.133 -2.082 1.00 0.00 H new ATOM 0 HA THR A 12 -4.191 15.277 -1.721 1.00 0.00 H new ATOM 0 HB THR A 12 -2.753 15.081 -3.814 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.742 17.187 -3.583 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.537 15.857 -5.331 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.200 15.005 -3.917 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.264 16.781 -3.996 1.00 0.00 H new ATOM 120 N LYS A 13 -2.160 15.186 -0.192 1.00 0.00 N ATOM 121 CA LYS A 13 -0.938 14.872 0.538 1.00 0.00 C ATOM 122 C LYS A 13 -0.658 13.373 0.512 1.00 0.00 C ATOM 123 O LYS A 13 -1.569 12.546 0.560 1.00 0.00 O ATOM 124 CB LYS A 13 -1.046 15.356 1.986 1.00 0.00 C ATOM 125 CG LYS A 13 -0.850 16.854 2.143 1.00 0.00 C ATOM 126 CD LYS A 13 -2.071 17.628 1.673 1.00 0.00 C ATOM 127 CE LYS A 13 -1.963 19.104 2.023 1.00 0.00 C ATOM 128 NZ LYS A 13 -2.030 19.332 3.493 1.00 0.00 N ATOM 0 H LYS A 13 -3.019 14.918 0.289 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.111 15.387 0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.025 15.083 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.303 14.836 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.650 17.088 3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.024 17.169 1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.181 17.516 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.967 17.209 2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.024 19.501 1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.767 19.653 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.242 20.333 3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.778 18.737 3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.116 19.085 3.925 1.00 0.00 H new ATOM 142 N PRO A 14 0.632 13.012 0.434 1.00 0.00 N ATOM 143 CA PRO A 14 1.061 11.611 0.402 1.00 0.00 C ATOM 144 C PRO A 14 0.843 10.906 1.737 1.00 0.00 C ATOM 145 O PRO A 14 1.702 10.945 2.617 1.00 0.00 O ATOM 146 CB PRO A 14 2.556 11.705 0.085 1.00 0.00 C ATOM 147 CG PRO A 14 2.963 13.051 0.576 1.00 0.00 C ATOM 148 CD PRO A 14 1.770 13.944 0.373 1.00 0.00 C ATOM 0 HA PRO A 14 0.493 11.028 -0.323 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.117 10.915 0.584 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.741 11.601 -0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.248 13.013 1.627 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.827 13.423 0.025 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.705 14.709 1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.814 14.462 -0.585 1.00 0.00 H new ATOM 156 N GLU A 15 -0.312 10.263 1.879 1.00 0.00 N ATOM 157 CA GLU A 15 -0.642 9.550 3.108 1.00 0.00 C ATOM 158 C GLU A 15 -1.375 8.247 2.801 1.00 0.00 C ATOM 159 O GLU A 15 -1.911 8.066 1.708 1.00 0.00 O ATOM 160 CB GLU A 15 -1.501 10.430 4.018 1.00 0.00 C ATOM 161 CG GLU A 15 -2.944 10.554 3.559 1.00 0.00 C ATOM 162 CD GLU A 15 -3.568 11.880 3.948 1.00 0.00 C ATOM 163 OE1 GLU A 15 -2.827 12.881 4.040 1.00 0.00 O ATOM 164 OE2 GLU A 15 -4.798 11.917 4.161 1.00 0.00 O ATOM 0 H GLU A 15 -1.034 10.221 1.160 1.00 0.00 H new ATOM 0 HA GLU A 15 0.289 9.310 3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.484 10.020 5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.058 11.425 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.988 10.440 2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.529 9.741 3.989 1.00 0.00 H new ATOM 171 N CYS A 16 -1.393 7.342 3.774 1.00 0.00 N ATOM 172 CA CYS A 16 -2.058 6.056 3.609 1.00 0.00 C ATOM 173 C CYS A 16 -3.135 5.861 4.672 1.00 0.00 C ATOM 174 O CYS A 16 -2.901 5.227 5.702 1.00 0.00 O ATOM 175 CB CYS A 16 -1.038 4.917 3.687 1.00 0.00 C ATOM 176 SG CYS A 16 -1.484 3.452 2.700 1.00 0.00 S ATOM 0 H CYS A 16 -0.954 7.476 4.685 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.533 6.044 2.628 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.069 5.287 3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.921 4.618 4.729 1.00 0.00 H new ATOM 181 N THR A 17 -4.319 6.410 4.415 1.00 0.00 N ATOM 182 CA THR A 17 -5.432 6.298 5.349 1.00 0.00 C ATOM 183 C THR A 17 -5.699 4.842 5.714 1.00 0.00 C ATOM 184 O THR A 17 -6.385 4.554 6.696 1.00 0.00 O ATOM 185 CB THR A 17 -6.718 6.913 4.765 1.00 0.00 C ATOM 186 OG1 THR A 17 -7.807 6.729 5.677 1.00 0.00 O ATOM 187 CG2 THR A 17 -7.061 6.280 3.425 1.00 0.00 C ATOM 0 H THR A 17 -4.531 6.937 3.568 1.00 0.00 H new ATOM 0 HA THR A 17 -5.149 6.848 6.246 1.00 0.00 H new ATOM 0 HB THR A 17 -6.548 7.979 4.613 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.589 6.010 6.306 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.973 6.730 3.033 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.243 6.446 2.724 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.213 5.209 3.557 1.00 0.00 H new ATOM 195 N LEU A 18 -5.152 3.928 4.921 1.00 0.00 N ATOM 196 CA LEU A 18 -5.330 2.500 5.162 1.00 0.00 C ATOM 197 C LEU A 18 -4.359 2.003 6.227 1.00 0.00 C ATOM 198 O LEU A 18 -4.745 1.280 7.146 1.00 0.00 O ATOM 199 CB LEU A 18 -5.128 1.715 3.865 1.00 0.00 C ATOM 200 CG LEU A 18 -4.854 0.219 4.022 1.00 0.00 C ATOM 201 CD1 LEU A 18 -6.134 -0.524 4.372 1.00 0.00 C ATOM 202 CD2 LEU A 18 -4.237 -0.346 2.751 1.00 0.00 C ATOM 0 H LEU A 18 -4.581 4.150 4.105 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.347 2.341 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.017 1.838 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.296 2.161 3.320 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.145 0.082 4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.920 -1.587 4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.534 -0.138 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.867 -0.380 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.049 -1.412 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.922 -0.197 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.297 0.166 2.544 1.00 0.00 H new ATOM 214 N CYS A 19 -3.096 2.396 6.099 1.00 0.00 N ATOM 215 CA CYS A 19 -2.068 1.992 7.052 1.00 0.00 C ATOM 216 C CYS A 19 -1.742 3.130 8.015 1.00 0.00 C ATOM 217 O CYS A 19 -0.820 3.028 8.823 1.00 0.00 O ATOM 218 CB CYS A 19 -0.802 1.556 6.312 1.00 0.00 C ATOM 219 SG CYS A 19 -1.119 0.595 4.797 1.00 0.00 S ATOM 0 H CYS A 19 -2.759 2.994 5.344 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.452 1.151 7.629 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.222 2.442 6.053 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.188 0.959 6.986 1.00 0.00 H new ATOM 224 N GLY A 20 -2.506 4.214 7.922 1.00 0.00 N ATOM 225 CA GLY A 20 -2.282 5.355 8.790 1.00 0.00 C ATOM 226 C GLY A 20 -0.848 5.844 8.748 1.00 0.00 C ATOM 227 O GLY A 20 -0.358 6.437 9.709 1.00 0.00 O ATOM 0 H GLY A 20 -3.276 4.322 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.948 6.167 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.540 5.085 9.814 1.00 0.00 H new ATOM 231 N VAL A 21 -0.172 5.594 7.631 1.00 0.00 N ATOM 232 CA VAL A 21 1.215 6.012 7.468 1.00 0.00 C ATOM 233 C VAL A 21 1.323 7.196 6.513 1.00 0.00 C ATOM 234 O VAL A 21 1.092 7.062 5.311 1.00 0.00 O ATOM 235 CB VAL A 21 2.091 4.860 6.940 1.00 0.00 C ATOM 236 CG1 VAL A 21 3.548 5.288 6.863 1.00 0.00 C ATOM 237 CG2 VAL A 21 1.935 3.628 7.819 1.00 0.00 C ATOM 0 H VAL A 21 -0.562 5.104 6.826 1.00 0.00 H new ATOM 0 HA VAL A 21 1.574 6.309 8.454 1.00 0.00 H new ATOM 0 HB VAL A 21 1.759 4.606 5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.151 4.461 6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.642 6.140 6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.897 5.570 7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.560 2.823 7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.240 3.867 8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.893 3.310 7.818 1.00 0.00 H new ATOM 247 N LYS A 22 1.677 8.356 7.056 1.00 0.00 N ATOM 248 CA LYS A 22 1.818 9.565 6.253 1.00 0.00 C ATOM 249 C LYS A 22 3.245 9.711 5.735 1.00 0.00 C ATOM 250 O LYS A 22 4.150 10.093 6.478 1.00 0.00 O ATOM 251 CB LYS A 22 1.436 10.797 7.077 1.00 0.00 C ATOM 252 CG LYS A 22 1.711 12.112 6.369 1.00 0.00 C ATOM 253 CD LYS A 22 1.800 13.267 7.353 1.00 0.00 C ATOM 254 CE LYS A 22 1.671 14.609 6.650 1.00 0.00 C ATOM 255 NZ LYS A 22 2.956 15.040 6.034 1.00 0.00 N ATOM 0 H LYS A 22 1.872 8.484 8.049 1.00 0.00 H new ATOM 0 HA LYS A 22 1.146 9.483 5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.376 10.743 7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.986 10.779 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.643 12.037 5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.920 12.309 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.014 13.170 8.102 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.752 13.223 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.903 14.542 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.340 15.363 7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.825 15.959 5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.683 15.129 6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.259 14.334 5.333 1.00 0.00 H new ATOM 269 N TYR A 23 3.440 9.404 4.457 1.00 0.00 N ATOM 270 CA TYR A 23 4.757 9.500 3.840 1.00 0.00 C ATOM 271 C TYR A 23 5.321 10.911 3.976 1.00 0.00 C ATOM 272 O TYR A 23 4.601 11.897 3.818 1.00 0.00 O ATOM 273 CB TYR A 23 4.682 9.109 2.363 1.00 0.00 C ATOM 274 CG TYR A 23 3.646 8.046 2.071 1.00 0.00 C ATOM 275 CD1 TYR A 23 3.463 6.971 2.932 1.00 0.00 C ATOM 276 CD2 TYR A 23 2.852 8.117 0.933 1.00 0.00 C ATOM 277 CE1 TYR A 23 2.519 5.998 2.668 1.00 0.00 C ATOM 278 CE2 TYR A 23 1.904 7.149 0.662 1.00 0.00 C ATOM 279 CZ TYR A 23 1.742 6.091 1.533 1.00 0.00 C ATOM 280 OH TYR A 23 0.800 5.124 1.266 1.00 0.00 O ATOM 0 H TYR A 23 2.702 9.086 3.828 1.00 0.00 H new ATOM 0 HA TYR A 23 5.423 8.810 4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.457 9.996 1.772 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.659 8.751 2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.069 6.895 3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.978 8.943 0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.390 5.168 3.347 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.294 7.220 -0.226 1.00 0.00 H new ATOM 0 HH TYR A 23 0.184 5.449 0.577 1.00 0.00 H new ATOM 290 N SER A 24 6.615 10.999 4.268 1.00 0.00 N ATOM 291 CA SER A 24 7.277 12.289 4.428 1.00 0.00 C ATOM 292 C SER A 24 7.609 12.901 3.071 1.00 0.00 C ATOM 293 O SER A 24 7.788 12.189 2.083 1.00 0.00 O ATOM 294 CB SER A 24 8.554 12.131 5.255 1.00 0.00 C ATOM 295 OG SER A 24 9.106 13.393 5.587 1.00 0.00 O ATOM 0 H SER A 24 7.226 10.193 4.399 1.00 0.00 H new ATOM 0 HA SER A 24 6.594 12.958 4.951 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.334 11.576 6.167 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.284 11.547 4.694 1.00 0.00 H new ATOM 0 HG SER A 24 9.920 13.265 6.117 1.00 0.00 H new ATOM 301 N ALA A 25 7.689 14.227 3.030 1.00 0.00 N ATOM 302 CA ALA A 25 8.001 14.936 1.796 1.00 0.00 C ATOM 303 C ALA A 25 8.974 14.138 0.935 1.00 0.00 C ATOM 304 O ALA A 25 8.920 14.194 -0.294 1.00 0.00 O ATOM 305 CB ALA A 25 8.575 16.311 2.108 1.00 0.00 C ATOM 0 H ALA A 25 7.542 14.832 3.838 1.00 0.00 H new ATOM 0 HA ALA A 25 7.076 15.059 1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.804 16.830 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.846 16.889 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.487 16.200 2.695 1.00 0.00 H new ATOM 311 N ARG A 26 9.862 13.395 1.587 1.00 0.00 N ATOM 312 CA ARG A 26 10.848 12.586 0.880 1.00 0.00 C ATOM 313 C ARG A 26 10.215 11.307 0.339 1.00 0.00 C ATOM 314 O ARG A 26 10.298 11.018 -0.855 1.00 0.00 O ATOM 315 CB ARG A 26 12.013 12.238 1.808 1.00 0.00 C ATOM 316 CG ARG A 26 13.064 11.351 1.160 1.00 0.00 C ATOM 317 CD ARG A 26 14.041 10.804 2.188 1.00 0.00 C ATOM 318 NE ARG A 26 13.501 9.646 2.895 1.00 0.00 N ATOM 319 CZ ARG A 26 14.110 9.060 3.920 1.00 0.00 C ATOM 320 NH1 ARG A 26 15.274 9.521 4.355 1.00 0.00 N ATOM 321 NH2 ARG A 26 13.555 8.010 4.511 1.00 0.00 N ATOM 0 H ARG A 26 9.919 13.336 2.604 1.00 0.00 H new ATOM 0 HA ARG A 26 11.224 13.169 0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.486 13.160 2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.623 11.737 2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.576 10.524 0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.608 11.920 0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.970 10.525 1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.286 11.586 2.907 1.00 0.00 H new ATOM 0 HE ARG A 26 12.607 9.266 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.704 10.328 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.739 9.069 5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.660 7.652 4.179 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.024 7.561 5.298 1.00 0.00 H new ATOM 335 N LEU A 27 9.583 10.546 1.225 1.00 0.00 N ATOM 336 CA LEU A 27 8.936 9.297 0.837 1.00 0.00 C ATOM 337 C LEU A 27 7.846 9.548 -0.199 1.00 0.00 C ATOM 338 O LEU A 27 7.372 10.673 -0.356 1.00 0.00 O ATOM 339 CB LEU A 27 8.340 8.606 2.065 1.00 0.00 C ATOM 340 CG LEU A 27 7.734 7.222 1.828 1.00 0.00 C ATOM 341 CD1 LEU A 27 8.787 6.263 1.294 1.00 0.00 C ATOM 342 CD2 LEU A 27 7.120 6.682 3.111 1.00 0.00 C ATOM 0 H LEU A 27 9.504 10.771 2.217 1.00 0.00 H new ATOM 0 HA LEU A 27 9.691 8.648 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.121 8.514 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.568 9.252 2.482 1.00 0.00 H new ATOM 0 HG LEU A 27 6.945 7.315 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.338 5.283 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.180 6.643 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.598 6.175 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.694 5.697 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.890 6.604 3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.336 7.358 3.452 1.00 0.00 H new ATOM 354 N SER A 28 7.451 8.491 -0.902 1.00 0.00 N ATOM 355 CA SER A 28 6.416 8.597 -1.925 1.00 0.00 C ATOM 356 C SER A 28 5.379 7.490 -1.765 1.00 0.00 C ATOM 357 O SER A 28 5.565 6.559 -0.982 1.00 0.00 O ATOM 358 CB SER A 28 7.040 8.529 -3.320 1.00 0.00 C ATOM 359 OG SER A 28 7.751 9.717 -3.620 1.00 0.00 O ATOM 0 H SER A 28 7.831 7.552 -0.782 1.00 0.00 H new ATOM 0 HA SER A 28 5.917 9.559 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.713 7.674 -3.379 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.259 8.372 -4.064 1.00 0.00 H new ATOM 0 HG SER A 28 8.141 9.647 -4.516 1.00 0.00 H new ATOM 365 N ILE A 29 4.285 7.601 -2.512 1.00 0.00 N ATOM 366 CA ILE A 29 3.218 6.610 -2.454 1.00 0.00 C ATOM 367 C ILE A 29 3.730 5.227 -2.842 1.00 0.00 C ATOM 368 O ILE A 29 3.272 4.213 -2.314 1.00 0.00 O ATOM 369 CB ILE A 29 2.047 6.989 -3.380 1.00 0.00 C ATOM 370 CG1 ILE A 29 1.074 5.815 -3.514 1.00 0.00 C ATOM 371 CG2 ILE A 29 2.567 7.412 -4.745 1.00 0.00 C ATOM 372 CD1 ILE A 29 0.379 5.456 -2.220 1.00 0.00 C ATOM 0 H ILE A 29 4.115 8.367 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 29 2.864 6.588 -1.423 1.00 0.00 H new ATOM 0 HB ILE A 29 1.512 7.831 -2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.323 6.060 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.617 4.943 -3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.728 7.677 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.224 8.274 -4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.122 6.589 -5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.295 4.616 -2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.122 5.179 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.192 6.313 -1.864 1.00 0.00 H new ATOM 384 N ARG A 30 4.685 5.193 -3.766 1.00 0.00 N ATOM 385 CA ARG A 30 5.261 3.934 -4.224 1.00 0.00 C ATOM 386 C ARG A 30 6.134 3.309 -3.139 1.00 0.00 C ATOM 387 O ARG A 30 5.821 2.239 -2.618 1.00 0.00 O ATOM 388 CB ARG A 30 6.086 4.158 -5.492 1.00 0.00 C ATOM 389 CG ARG A 30 5.246 4.275 -6.753 1.00 0.00 C ATOM 390 CD ARG A 30 6.039 4.892 -7.895 1.00 0.00 C ATOM 391 NE ARG A 30 6.023 6.352 -7.846 1.00 0.00 N ATOM 392 CZ ARG A 30 6.881 7.118 -8.511 1.00 0.00 C ATOM 393 NH1 ARG A 30 7.816 6.567 -9.272 1.00 0.00 N ATOM 394 NH2 ARG A 30 6.803 8.439 -8.416 1.00 0.00 N ATOM 0 H ARG A 30 5.076 6.023 -4.212 1.00 0.00 H new ATOM 0 HA ARG A 30 4.443 3.249 -4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.678 5.066 -5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.788 3.333 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.890 3.288 -7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.365 4.884 -6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.069 4.539 -7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.626 4.557 -8.846 1.00 0.00 H new ATOM 0 HE ARG A 30 5.315 6.808 -7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.878 5.552 -9.349 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.473 7.158 -9.781 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.084 8.867 -7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.462 9.027 -8.927 1.00 0.00 H new ATOM 408 N ASP A 31 7.228 3.984 -2.806 1.00 0.00 N ATOM 409 CA ASP A 31 8.146 3.496 -1.784 1.00 0.00 C ATOM 410 C ASP A 31 7.382 2.862 -0.625 1.00 0.00 C ATOM 411 O ASP A 31 7.901 1.988 0.070 1.00 0.00 O ATOM 412 CB ASP A 31 9.023 4.637 -1.268 1.00 0.00 C ATOM 413 CG ASP A 31 10.109 5.023 -2.253 1.00 0.00 C ATOM 414 OD1 ASP A 31 9.901 4.833 -3.469 1.00 0.00 O ATOM 415 OD2 ASP A 31 11.168 5.515 -1.808 1.00 0.00 O ATOM 0 H ASP A 31 7.501 4.871 -3.229 1.00 0.00 H new ATOM 0 HA ASP A 31 8.782 2.735 -2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.399 5.506 -1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.481 4.341 -0.324 1.00 0.00 H new ATOM 420 N HIS A 32 6.146 3.309 -0.423 1.00 0.00 N ATOM 421 CA HIS A 32 5.311 2.785 0.651 1.00 0.00 C ATOM 422 C HIS A 32 4.662 1.466 0.243 1.00 0.00 C ATOM 423 O HIS A 32 5.011 0.405 0.762 1.00 0.00 O ATOM 424 CB HIS A 32 4.232 3.802 1.028 1.00 0.00 C ATOM 425 CG HIS A 32 3.319 3.330 2.118 1.00 0.00 C ATOM 426 ND1 HIS A 32 3.717 3.208 3.433 1.00 0.00 N ATOM 427 CD2 HIS A 32 2.020 2.951 2.083 1.00 0.00 C ATOM 428 CE1 HIS A 32 2.703 2.773 4.159 1.00 0.00 C ATOM 429 NE2 HIS A 32 1.661 2.609 3.363 1.00 0.00 N ATOM 0 H HIS A 32 5.702 4.032 -0.989 1.00 0.00 H new ATOM 0 HA HIS A 32 5.948 2.603 1.516 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.712 4.729 1.343 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.639 4.035 0.144 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.649 3.421 3.789 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.384 2.923 1.210 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.722 2.584 5.222 1.00 0.00 H new ATOM 437 N ILE A 33 3.718 1.540 -0.689 1.00 0.00 N ATOM 438 CA ILE A 33 3.022 0.352 -1.167 1.00 0.00 C ATOM 439 C ILE A 33 4.009 -0.741 -1.563 1.00 0.00 C ATOM 440 O ILE A 33 3.661 -1.922 -1.604 1.00 0.00 O ATOM 441 CB ILE A 33 2.121 0.674 -2.373 1.00 0.00 C ATOM 442 CG1 ILE A 33 2.965 1.159 -3.554 1.00 0.00 C ATOM 443 CG2 ILE A 33 1.082 1.719 -1.994 1.00 0.00 C ATOM 444 CD1 ILE A 33 2.148 1.775 -4.668 1.00 0.00 C ATOM 0 H ILE A 33 3.418 2.410 -1.128 1.00 0.00 H new ATOM 0 HA ILE A 33 2.401 -0.002 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 33 1.601 -0.236 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.688 1.892 -3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.534 0.319 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.453 1.936 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.464 1.339 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.584 2.631 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.811 2.096 -5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.443 1.038 -5.053 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.600 2.636 -4.284 1.00 0.00 H new ATOM 456 N PHE A 34 5.243 -0.341 -1.850 1.00 0.00 N ATOM 457 CA PHE A 34 6.282 -1.287 -2.242 1.00 0.00 C ATOM 458 C PHE A 34 7.045 -1.792 -1.021 1.00 0.00 C ATOM 459 O PHE A 34 8.158 -2.303 -1.139 1.00 0.00 O ATOM 460 CB PHE A 34 7.252 -0.632 -3.228 1.00 0.00 C ATOM 461 CG PHE A 34 6.770 -0.661 -4.650 1.00 0.00 C ATOM 462 CD1 PHE A 34 6.862 -1.820 -5.404 1.00 0.00 C ATOM 463 CD2 PHE A 34 6.225 0.471 -5.234 1.00 0.00 C ATOM 464 CE1 PHE A 34 6.421 -1.849 -6.713 1.00 0.00 C ATOM 465 CE2 PHE A 34 5.781 0.448 -6.543 1.00 0.00 C ATOM 466 CZ PHE A 34 5.878 -0.714 -7.283 1.00 0.00 C ATOM 0 H PHE A 34 5.548 0.632 -1.819 1.00 0.00 H new ATOM 0 HA PHE A 34 5.801 -2.137 -2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.417 0.403 -2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.215 -1.138 -3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.283 -2.711 -4.963 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.146 1.382 -4.660 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.501 -2.758 -7.290 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.359 1.338 -6.986 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.530 -0.735 -8.305 1.00 0.00 H new ATOM 476 N SER A 35 6.437 -1.645 0.152 1.00 0.00 N ATOM 477 CA SER A 35 7.060 -2.083 1.396 1.00 0.00 C ATOM 478 C SER A 35 6.103 -2.952 2.206 1.00 0.00 C ATOM 479 O SER A 35 4.888 -2.759 2.170 1.00 0.00 O ATOM 480 CB SER A 35 7.495 -0.873 2.226 1.00 0.00 C ATOM 481 OG SER A 35 8.634 -1.177 3.012 1.00 0.00 O ATOM 0 H SER A 35 5.514 -1.226 0.267 1.00 0.00 H new ATOM 0 HA SER A 35 7.938 -2.677 1.145 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.718 -0.036 1.565 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.676 -0.558 2.873 1.00 0.00 H new ATOM 0 HG SER A 35 8.893 -0.387 3.532 1.00 0.00 H new ATOM 487 N LYS A 36 6.661 -3.912 2.937 1.00 0.00 N ATOM 488 CA LYS A 36 5.860 -4.812 3.758 1.00 0.00 C ATOM 489 C LYS A 36 4.862 -4.031 4.607 1.00 0.00 C ATOM 490 O LYS A 36 3.695 -4.408 4.712 1.00 0.00 O ATOM 491 CB LYS A 36 6.765 -5.653 4.661 1.00 0.00 C ATOM 492 CG LYS A 36 6.143 -6.971 5.089 1.00 0.00 C ATOM 493 CD LYS A 36 6.672 -7.425 6.439 1.00 0.00 C ATOM 494 CE LYS A 36 8.059 -8.036 6.317 1.00 0.00 C ATOM 495 NZ LYS A 36 8.014 -9.398 5.715 1.00 0.00 N ATOM 0 H LYS A 36 7.665 -4.086 2.977 1.00 0.00 H new ATOM 0 HA LYS A 36 5.305 -5.473 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.699 -5.855 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.016 -5.074 5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.059 -6.864 5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.353 -7.734 4.340 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.706 -6.576 7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.988 -8.155 6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.688 -7.389 5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.520 -8.090 7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.938 -9.860 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.281 -9.963 6.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.792 -9.323 4.702 1.00 0.00 H new ATOM 509 N GLN A 37 5.328 -2.942 5.209 1.00 0.00 N ATOM 510 CA GLN A 37 4.475 -2.108 6.048 1.00 0.00 C ATOM 511 C GLN A 37 3.085 -1.966 5.438 1.00 0.00 C ATOM 512 O GLN A 37 2.075 -2.085 6.133 1.00 0.00 O ATOM 513 CB GLN A 37 5.105 -0.727 6.239 1.00 0.00 C ATOM 514 CG GLN A 37 6.292 -0.727 7.188 1.00 0.00 C ATOM 515 CD GLN A 37 6.566 0.642 7.779 1.00 0.00 C ATOM 516 OE1 GLN A 37 6.558 1.650 7.071 1.00 0.00 O ATOM 517 NE2 GLN A 37 6.812 0.686 9.083 1.00 0.00 N ATOM 0 H GLN A 37 6.291 -2.616 5.132 1.00 0.00 H new ATOM 0 HA GLN A 37 4.378 -2.592 7.020 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.425 -0.346 5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.348 -0.040 6.617 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.108 -1.437 7.995 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.178 -1.073 6.656 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.809 -0.174 9.632 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.004 1.580 9.536 1.00 0.00 H new ATOM 526 N HIS A 38 3.039 -1.710 4.134 1.00 0.00 N ATOM 527 CA HIS A 38 1.771 -1.552 3.430 1.00 0.00 C ATOM 528 C HIS A 38 1.193 -2.909 3.041 1.00 0.00 C ATOM 529 O HIS A 38 -0.020 -3.115 3.091 1.00 0.00 O ATOM 530 CB HIS A 38 1.961 -0.688 2.183 1.00 0.00 C ATOM 531 CG HIS A 38 0.775 -0.688 1.268 1.00 0.00 C ATOM 532 ND1 HIS A 38 -0.138 0.345 1.220 1.00 0.00 N ATOM 533 CD2 HIS A 38 0.355 -1.602 0.362 1.00 0.00 C ATOM 534 CE1 HIS A 38 -1.069 0.065 0.325 1.00 0.00 C ATOM 535 NE2 HIS A 38 -0.792 -1.111 -0.210 1.00 0.00 N ATOM 0 H HIS A 38 3.865 -1.608 3.544 1.00 0.00 H new ATOM 0 HA HIS A 38 1.069 -1.058 4.102 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.173 0.336 2.490 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.833 -1.043 1.634 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.833 -2.543 0.132 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.913 0.691 0.074 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.342 -1.578 -0.931 1.00 0.00 H new ATOM 543 N ILE A 39 2.068 -3.830 2.651 1.00 0.00 N ATOM 544 CA ILE A 39 1.644 -5.166 2.253 1.00 0.00 C ATOM 545 C ILE A 39 0.776 -5.810 3.329 1.00 0.00 C ATOM 546 O ILE A 39 -0.372 -6.178 3.078 1.00 0.00 O ATOM 547 CB ILE A 39 2.851 -6.079 1.969 1.00 0.00 C ATOM 548 CG1 ILE A 39 3.705 -5.495 0.842 1.00 0.00 C ATOM 549 CG2 ILE A 39 2.382 -7.482 1.613 1.00 0.00 C ATOM 550 CD1 ILE A 39 2.943 -5.290 -0.449 1.00 0.00 C ATOM 0 H ILE A 39 3.075 -3.675 2.602 1.00 0.00 H new ATOM 0 HA ILE A 39 1.062 -5.053 1.339 1.00 0.00 H new ATOM 0 HB ILE A 39 3.462 -6.139 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.117 -4.540 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.549 -6.159 0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.247 -8.115 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.811 -7.897 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.752 -7.440 0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.611 -4.874 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.554 -6.247 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.115 -4.602 -0.278 1.00 0.00 H new ATOM 562 N SER A 40 1.332 -5.943 4.529 1.00 0.00 N ATOM 563 CA SER A 40 0.610 -6.545 5.644 1.00 0.00 C ATOM 564 C SER A 40 -0.837 -6.061 5.678 1.00 0.00 C ATOM 565 O SER A 40 -1.773 -6.861 5.634 1.00 0.00 O ATOM 566 CB SER A 40 1.302 -6.211 6.967 1.00 0.00 C ATOM 567 OG SER A 40 0.638 -6.824 8.059 1.00 0.00 O ATOM 0 H SER A 40 2.280 -5.642 4.754 1.00 0.00 H new ATOM 0 HA SER A 40 0.611 -7.626 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.339 -6.546 6.933 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.320 -5.130 7.109 1.00 0.00 H new ATOM 0 HG SER A 40 1.101 -6.597 8.893 1.00 0.00 H new ATOM 573 N LYS A 41 -1.013 -4.747 5.758 1.00 0.00 N ATOM 574 CA LYS A 41 -2.345 -4.154 5.797 1.00 0.00 C ATOM 575 C LYS A 41 -3.199 -4.656 4.637 1.00 0.00 C ATOM 576 O LYS A 41 -4.390 -4.919 4.798 1.00 0.00 O ATOM 577 CB LYS A 41 -2.248 -2.627 5.749 1.00 0.00 C ATOM 578 CG LYS A 41 -3.381 -1.922 6.473 1.00 0.00 C ATOM 579 CD LYS A 41 -3.400 -2.270 7.952 1.00 0.00 C ATOM 580 CE LYS A 41 -4.128 -1.211 8.765 1.00 0.00 C ATOM 581 NZ LYS A 41 -3.961 -1.424 10.229 1.00 0.00 N ATOM 0 H LYS A 41 -0.250 -4.072 5.797 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.821 -4.453 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.300 -2.318 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.237 -2.305 4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.275 -0.844 6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.333 -2.201 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.885 -3.236 8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.378 -2.371 8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.751 -0.224 8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.189 -1.226 8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.472 -0.682 10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.344 -2.355 10.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.951 -1.384 10.473 1.00 0.00 H new ATOM 595 N VAL A 42 -2.581 -4.790 3.468 1.00 0.00 N ATOM 596 CA VAL A 42 -3.283 -5.263 2.281 1.00 0.00 C ATOM 597 C VAL A 42 -3.711 -6.718 2.440 1.00 0.00 C ATOM 598 O VAL A 42 -4.795 -7.108 2.006 1.00 0.00 O ATOM 599 CB VAL A 42 -2.408 -5.131 1.021 1.00 0.00 C ATOM 600 CG1 VAL A 42 -3.167 -5.609 -0.209 1.00 0.00 C ATOM 601 CG2 VAL A 42 -1.942 -3.694 0.844 1.00 0.00 C ATOM 0 H VAL A 42 -1.595 -4.577 3.318 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.168 -4.637 2.166 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.528 -5.762 1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.533 -5.508 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.446 -6.655 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.066 -5.007 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.325 -3.619 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.808 -3.040 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.358 -3.391 1.713 1.00 0.00 H new ATOM 611 N ARG A 43 -2.851 -7.517 3.065 1.00 0.00 N ATOM 612 CA ARG A 43 -3.139 -8.930 3.280 1.00 0.00 C ATOM 613 C ARG A 43 -4.133 -9.113 4.424 1.00 0.00 C ATOM 614 O ARG A 43 -4.778 -10.155 4.536 1.00 0.00 O ATOM 615 CB ARG A 43 -1.850 -9.695 3.583 1.00 0.00 C ATOM 616 CG ARG A 43 -1.002 -9.970 2.352 1.00 0.00 C ATOM 617 CD ARG A 43 -0.202 -11.255 2.502 1.00 0.00 C ATOM 618 NE ARG A 43 0.502 -11.608 1.273 1.00 0.00 N ATOM 619 CZ ARG A 43 0.872 -12.847 0.968 1.00 0.00 C ATOM 620 NH1 ARG A 43 0.605 -13.845 1.798 1.00 0.00 N ATOM 621 NH2 ARG A 43 1.509 -13.089 -0.170 1.00 0.00 N ATOM 0 H ARG A 43 -1.950 -7.210 3.431 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.583 -9.328 2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.260 -9.126 4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.103 -10.643 4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.645 -10.041 1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.322 -9.135 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.518 -11.141 3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.872 -12.068 2.783 1.00 0.00 H new ATOM 0 HE ARG A 43 0.722 -10.863 0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.114 -13.663 2.673 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.890 -14.795 1.561 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.715 -12.324 -0.812 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.793 -14.041 -0.403 1.00 0.00 H new ATOM 635 N GLU A 44 -4.248 -8.095 5.270 1.00 0.00 N ATOM 636 CA GLU A 44 -5.162 -8.146 6.406 1.00 0.00 C ATOM 637 C GLU A 44 -6.576 -7.757 5.984 1.00 0.00 C ATOM 638 O GLU A 44 -7.526 -8.517 6.176 1.00 0.00 O ATOM 639 CB GLU A 44 -4.677 -7.217 7.521 1.00 0.00 C ATOM 640 CG GLU A 44 -3.576 -7.819 8.378 1.00 0.00 C ATOM 641 CD GLU A 44 -4.082 -8.919 9.291 1.00 0.00 C ATOM 642 OE1 GLU A 44 -4.840 -8.607 10.233 1.00 0.00 O ATOM 643 OE2 GLU A 44 -3.719 -10.092 9.063 1.00 0.00 O ATOM 0 H GLU A 44 -3.721 -7.225 5.191 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.181 -9.170 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.315 -6.289 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.522 -6.957 8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.795 -8.219 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.119 -7.034 8.980 1.00 0.00 H new ATOM 650 N THR A 45 -6.709 -6.566 5.408 1.00 0.00 N ATOM 651 CA THR A 45 -8.006 -6.073 4.961 1.00 0.00 C ATOM 652 C THR A 45 -8.797 -7.170 4.256 1.00 0.00 C ATOM 653 O THR A 45 -10.020 -7.240 4.374 1.00 0.00 O ATOM 654 CB THR A 45 -7.853 -4.873 4.008 1.00 0.00 C ATOM 655 OG1 THR A 45 -9.121 -4.237 3.814 1.00 0.00 O ATOM 656 CG2 THR A 45 -7.292 -5.316 2.665 1.00 0.00 C ATOM 0 H THR A 45 -5.934 -5.925 5.240 1.00 0.00 H new ATOM 0 HA THR A 45 -8.547 -5.753 5.852 1.00 0.00 H new ATOM 0 HB THR A 45 -7.157 -4.166 4.459 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.015 -3.474 3.208 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.193 -4.451 2.009 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.314 -5.774 2.812 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.967 -6.041 2.210 1.00 0.00 H new ATOM 664 N VAL A 46 -8.090 -8.025 3.524 1.00 0.00 N ATOM 665 CA VAL A 46 -8.727 -9.120 2.801 1.00 0.00 C ATOM 666 C VAL A 46 -7.975 -10.429 3.014 1.00 0.00 C ATOM 667 O VAL A 46 -6.808 -10.554 2.644 1.00 0.00 O ATOM 668 CB VAL A 46 -8.805 -8.825 1.291 1.00 0.00 C ATOM 669 CG1 VAL A 46 -7.415 -8.592 0.719 1.00 0.00 C ATOM 670 CG2 VAL A 46 -9.507 -9.962 0.563 1.00 0.00 C ATOM 0 H VAL A 46 -7.077 -7.981 3.416 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.738 -9.216 3.197 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.388 -7.915 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.491 -8.385 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.953 -7.742 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.804 -9.481 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.554 -9.738 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.953 -10.888 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.518 -10.076 0.955 1.00 0.00 H new ATOM 680 N GLY A 47 -8.652 -11.404 3.612 1.00 0.00 N ATOM 681 CA GLY A 47 -8.032 -12.692 3.863 1.00 0.00 C ATOM 682 C GLY A 47 -8.990 -13.683 4.495 1.00 0.00 C ATOM 683 O GLY A 47 -9.048 -14.844 4.090 1.00 0.00 O ATOM 0 H GLY A 47 -9.619 -11.325 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.658 -13.101 2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.171 -12.556 4.517 1.00 0.00 H new ATOM 687 N SER A 48 -9.742 -13.225 5.490 1.00 0.00 N ATOM 688 CA SER A 48 -10.698 -14.081 6.183 1.00 0.00 C ATOM 689 C SER A 48 -12.116 -13.827 5.682 1.00 0.00 C ATOM 690 O SER A 48 -12.370 -12.856 4.970 1.00 0.00 O ATOM 691 CB SER A 48 -10.627 -13.843 7.693 1.00 0.00 C ATOM 692 OG SER A 48 -11.053 -12.533 8.023 1.00 0.00 O ATOM 0 H SER A 48 -9.708 -12.266 5.835 1.00 0.00 H new ATOM 0 HA SER A 48 -10.438 -15.119 5.974 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.251 -14.573 8.209 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.605 -13.995 8.041 1.00 0.00 H new ATOM 0 HG SER A 48 -11.000 -12.406 8.993 1.00 0.00 H new ATOM 698 N GLN A 49 -13.037 -14.709 6.060 1.00 0.00 N ATOM 699 CA GLN A 49 -14.430 -14.581 5.649 1.00 0.00 C ATOM 700 C GLN A 49 -14.943 -13.166 5.897 1.00 0.00 C ATOM 701 O GLN A 49 -14.368 -12.415 6.685 1.00 0.00 O ATOM 702 CB GLN A 49 -15.300 -15.590 6.400 1.00 0.00 C ATOM 703 CG GLN A 49 -15.434 -15.291 7.885 1.00 0.00 C ATOM 704 CD GLN A 49 -14.226 -15.741 8.682 1.00 0.00 C ATOM 705 OE1 GLN A 49 -13.502 -16.649 8.275 1.00 0.00 O ATOM 706 NE2 GLN A 49 -14.001 -15.105 9.826 1.00 0.00 N ATOM 0 H GLN A 49 -12.843 -15.519 6.649 1.00 0.00 H new ATOM 0 HA GLN A 49 -14.487 -14.787 4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.293 -15.607 5.950 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.876 -16.587 6.275 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.578 -14.220 8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -16.325 -15.785 8.272 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.627 -14.358 10.126 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.202 -15.364 10.405 1.00 0.00 H new ATOM 715 N LEU A 50 -16.028 -12.808 5.218 1.00 0.00 N ATOM 716 CA LEU A 50 -16.619 -11.483 5.363 1.00 0.00 C ATOM 717 C LEU A 50 -18.122 -11.580 5.603 1.00 0.00 C ATOM 718 O LEU A 50 -18.813 -10.565 5.692 1.00 0.00 O ATOM 719 CB LEU A 50 -16.343 -10.640 4.117 1.00 0.00 C ATOM 720 CG LEU A 50 -16.204 -11.410 2.803 1.00 0.00 C ATOM 721 CD1 LEU A 50 -14.978 -12.309 2.838 1.00 0.00 C ATOM 722 CD2 LEU A 50 -17.459 -12.226 2.529 1.00 0.00 C ATOM 0 H LEU A 50 -16.516 -13.418 4.562 1.00 0.00 H new ATOM 0 HA LEU A 50 -16.162 -11.002 6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -17.150 -9.916 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -15.426 -10.074 4.282 1.00 0.00 H new ATOM 0 HG LEU A 50 -16.078 -10.691 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -14.896 -12.849 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.085 -11.701 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.073 -13.022 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -17.343 -12.768 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -17.616 -12.936 3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -18.319 -11.559 2.459 1.00 0.00 H new ATOM 734 N ASP A 51 -18.621 -12.807 5.708 1.00 0.00 N ATOM 735 CA ASP A 51 -20.042 -13.037 5.940 1.00 0.00 C ATOM 736 C ASP A 51 -20.393 -12.827 7.410 1.00 0.00 C ATOM 737 O ASP A 51 -21.558 -12.636 7.759 1.00 0.00 O ATOM 738 CB ASP A 51 -20.428 -14.452 5.508 1.00 0.00 C ATOM 739 CG ASP A 51 -19.307 -15.450 5.723 1.00 0.00 C ATOM 740 OD1 ASP A 51 -18.749 -15.483 6.839 1.00 0.00 O ATOM 741 OD2 ASP A 51 -18.987 -16.197 4.774 1.00 0.00 O ATOM 0 H ASP A 51 -18.062 -13.657 5.636 1.00 0.00 H new ATOM 0 HA ASP A 51 -20.604 -12.318 5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.307 -14.772 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -20.706 -14.444 4.454 1.00 0.00 H new ATOM 746 N ARG A 52 -19.378 -12.864 8.267 1.00 0.00 N ATOM 747 CA ARG A 52 -19.580 -12.680 9.699 1.00 0.00 C ATOM 748 C ARG A 52 -18.755 -11.506 10.218 1.00 0.00 C ATOM 749 O ARG A 52 -17.636 -11.273 9.763 1.00 0.00 O ATOM 750 CB ARG A 52 -19.204 -13.955 10.456 1.00 0.00 C ATOM 751 CG ARG A 52 -20.363 -14.923 10.633 1.00 0.00 C ATOM 752 CD ARG A 52 -21.235 -14.538 11.818 1.00 0.00 C ATOM 753 NE ARG A 52 -22.096 -15.638 12.243 1.00 0.00 N ATOM 754 CZ ARG A 52 -23.169 -16.034 11.568 1.00 0.00 C ATOM 755 NH1 ARG A 52 -23.510 -15.425 10.441 1.00 0.00 N ATOM 756 NH2 ARG A 52 -23.903 -17.043 12.020 1.00 0.00 N ATOM 0 H ARG A 52 -18.407 -13.020 7.995 1.00 0.00 H new ATOM 0 HA ARG A 52 -20.635 -12.463 9.867 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -18.398 -14.460 9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -18.815 -13.683 11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -20.967 -14.939 9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.977 -15.932 10.777 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -20.601 -14.231 12.650 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -21.850 -13.678 11.552 1.00 0.00 H new ATOM 0 HE ARG A 52 -21.861 -16.129 13.105 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -22.948 -14.650 10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -24.335 -15.732 9.925 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -23.643 -17.515 12.886 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -24.727 -17.347 11.501 1.00 0.00 H new ATOM 770 N GLU A 53 -19.317 -10.770 11.172 1.00 0.00 N ATOM 771 CA GLU A 53 -18.634 -9.620 11.751 1.00 0.00 C ATOM 772 C GLU A 53 -18.244 -9.891 13.201 1.00 0.00 C ATOM 773 O GLU A 53 -18.981 -10.540 13.943 1.00 0.00 O ATOM 774 CB GLU A 53 -19.525 -8.378 11.675 1.00 0.00 C ATOM 775 CG GLU A 53 -18.749 -7.071 11.675 1.00 0.00 C ATOM 776 CD GLU A 53 -19.497 -5.949 10.981 1.00 0.00 C ATOM 777 OE1 GLU A 53 -20.699 -5.771 11.270 1.00 0.00 O ATOM 778 OE2 GLU A 53 -18.881 -5.250 10.150 1.00 0.00 O ATOM 0 H GLU A 53 -20.243 -10.950 11.560 1.00 0.00 H new ATOM 0 HA GLU A 53 -17.725 -9.443 11.176 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.131 -8.431 10.771 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -20.213 -8.382 12.521 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -18.536 -6.779 12.703 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.789 -7.223 11.181 1.00 0.00 H new ATOM 785 N LYS A 54 -17.078 -9.391 13.597 1.00 0.00 N ATOM 786 CA LYS A 54 -16.588 -9.578 14.958 1.00 0.00 C ATOM 787 C LYS A 54 -17.528 -8.929 15.968 1.00 0.00 C ATOM 788 O LYS A 54 -17.955 -9.565 16.932 1.00 0.00 O ATOM 789 CB LYS A 54 -15.183 -8.990 15.101 1.00 0.00 C ATOM 790 CG LYS A 54 -14.085 -9.903 14.582 1.00 0.00 C ATOM 791 CD LYS A 54 -13.799 -9.650 13.111 1.00 0.00 C ATOM 792 CE LYS A 54 -12.841 -10.686 12.543 1.00 0.00 C ATOM 793 NZ LYS A 54 -13.509 -11.999 12.328 1.00 0.00 N ATOM 0 H LYS A 54 -16.455 -8.853 12.995 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.549 -10.648 15.160 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.139 -8.042 14.565 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.995 -8.771 16.152 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.176 -9.747 15.163 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.378 -10.943 14.723 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.733 -9.670 12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.374 -8.654 12.988 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.435 -10.326 11.598 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.999 -10.814 13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.859 -12.642 11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.769 -12.411 13.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.366 -11.863 11.755 1.00 0.00 H new ATOM 807 N ASP A 55 -17.847 -7.659 15.742 1.00 0.00 N ATOM 808 CA ASP A 55 -18.739 -6.924 16.631 1.00 0.00 C ATOM 809 C ASP A 55 -20.171 -7.438 16.511 1.00 0.00 C ATOM 810 O ASP A 55 -20.710 -7.549 15.411 1.00 0.00 O ATOM 811 CB ASP A 55 -18.692 -5.429 16.314 1.00 0.00 C ATOM 812 CG ASP A 55 -19.991 -4.724 16.653 1.00 0.00 C ATOM 813 OD1 ASP A 55 -20.933 -4.792 15.836 1.00 0.00 O ATOM 814 OD2 ASP A 55 -20.065 -4.104 17.735 1.00 0.00 O ATOM 0 H ASP A 55 -17.501 -7.117 14.950 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.401 -7.081 17.655 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.876 -4.968 16.870 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.473 -5.292 15.255 1.00 0.00 H new TER 819 ASP A 55 HETATM 820 ZN ZN A 201 -0.132 1.622 2.884 1.00 0.00 ZN