USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=18 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+ 176:sc= 0 (180deg=-0.0231) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 42:sc= 0.639 USER MOD Single : A 12 THR OG1 : rot 35:sc= 0.0417 USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0659) USER MOD Single : A 17 THR OG1 : rot -26:sc= 0.479 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 150:sc= -1.96 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 10:sc= 0.156 USER MOD Single : A 35 SER OG : rot 85:sc= 0.283 USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0455) USER MOD Single : A 37 GLN : amide:sc= -6.14! C(o=-6.1!,f=-5.6!) 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= -0.0396 K(o=-0.04,f=-0.88) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc=-0.00236 (180deg=-0.0851) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.316 38.614 -10.643 1.00 0.00 N ATOM 2 CA GLY A 1 -18.013 38.861 -10.054 1.00 0.00 C ATOM 3 C GLY A 1 -17.871 38.239 -8.679 1.00 0.00 C ATOM 4 O GLY A 1 -17.338 38.861 -7.761 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.387 39.116 -11.551 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.438 37.593 -10.801 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.058 38.956 -10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.239 38.463 -10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.848 39.936 -9.982 1.00 0.00 H new ATOM 8 N SER A 2 -18.350 37.007 -8.537 1.00 0.00 N ATOM 9 CA SER A 2 -18.278 36.302 -7.262 1.00 0.00 C ATOM 10 C SER A 2 -17.513 34.990 -7.409 1.00 0.00 C ATOM 11 O SER A 2 -18.104 33.936 -7.639 1.00 0.00 O ATOM 12 CB SER A 2 -19.685 36.027 -6.728 1.00 0.00 C ATOM 13 OG SER A 2 -20.309 37.224 -6.296 1.00 0.00 O ATOM 0 H SER A 2 -18.792 36.477 -9.288 1.00 0.00 H new ATOM 0 HA SER A 2 -17.745 36.936 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.288 35.559 -7.506 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.631 35.321 -5.899 1.00 0.00 H new ATOM 0 HG SER A 2 -21.207 37.022 -5.961 1.00 0.00 H new ATOM 19 N SER A 3 -16.192 35.065 -7.275 1.00 0.00 N ATOM 20 CA SER A 3 -15.344 33.885 -7.396 1.00 0.00 C ATOM 21 C SER A 3 -13.891 34.226 -7.076 1.00 0.00 C ATOM 22 O SER A 3 -13.365 35.240 -7.531 1.00 0.00 O ATOM 23 CB SER A 3 -15.444 33.302 -8.807 1.00 0.00 C ATOM 24 OG SER A 3 -14.509 32.253 -8.992 1.00 0.00 O ATOM 0 H SER A 3 -15.687 35.930 -7.083 1.00 0.00 H new ATOM 0 HA SER A 3 -15.692 33.142 -6.678 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.453 32.928 -8.979 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.265 34.087 -9.542 1.00 0.00 H new ATOM 0 HG SER A 3 -14.594 31.896 -9.901 1.00 0.00 H new ATOM 30 N GLY A 4 -13.249 33.369 -6.287 1.00 0.00 N ATOM 31 CA GLY A 4 -11.864 33.595 -5.918 1.00 0.00 C ATOM 32 C GLY A 4 -10.895 32.881 -6.839 1.00 0.00 C ATOM 33 O GLY A 4 -11.167 31.772 -7.299 1.00 0.00 O ATOM 0 H GLY A 4 -13.664 32.523 -5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.656 34.665 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.704 33.256 -4.894 1.00 0.00 H new ATOM 37 N SER A 5 -9.761 33.519 -7.112 1.00 0.00 N ATOM 38 CA SER A 5 -8.750 32.940 -7.989 1.00 0.00 C ATOM 39 C SER A 5 -8.515 31.471 -7.652 1.00 0.00 C ATOM 40 O SER A 5 -8.425 30.625 -8.541 1.00 0.00 O ATOM 41 CB SER A 5 -7.438 33.718 -7.873 1.00 0.00 C ATOM 42 OG SER A 5 -7.036 33.841 -6.519 1.00 0.00 O ATOM 0 H SER A 5 -9.520 34.437 -6.738 1.00 0.00 H new ATOM 0 HA SER A 5 -9.114 33.006 -9.014 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.659 33.211 -8.442 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.559 34.709 -8.311 1.00 0.00 H new ATOM 0 HG SER A 5 -6.194 34.341 -6.472 1.00 0.00 H new ATOM 48 N SER A 6 -8.416 31.175 -6.359 1.00 0.00 N ATOM 49 CA SER A 6 -8.188 29.809 -5.903 1.00 0.00 C ATOM 50 C SER A 6 -9.511 29.084 -5.676 1.00 0.00 C ATOM 51 O SER A 6 -10.523 29.703 -5.351 1.00 0.00 O ATOM 52 CB SER A 6 -7.366 29.811 -4.612 1.00 0.00 C ATOM 53 OG SER A 6 -8.145 30.250 -3.513 1.00 0.00 O ATOM 0 H SER A 6 -8.490 31.863 -5.610 1.00 0.00 H new ATOM 0 HA SER A 6 -7.633 29.281 -6.678 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.988 28.808 -4.416 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.499 30.461 -4.730 1.00 0.00 H new ATOM 0 HG SER A 6 -7.598 30.241 -2.700 1.00 0.00 H new ATOM 59 N GLY A 7 -9.494 27.766 -5.851 1.00 0.00 N ATOM 60 CA GLY A 7 -10.697 26.977 -5.661 1.00 0.00 C ATOM 61 C GLY A 7 -10.868 25.915 -6.730 1.00 0.00 C ATOM 62 O GLY A 7 -11.575 26.124 -7.715 1.00 0.00 O ATOM 0 H GLY A 7 -8.669 27.231 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.664 26.500 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.565 27.636 -5.666 1.00 0.00 H new ATOM 66 N GLY A 8 -10.217 24.772 -6.536 1.00 0.00 N ATOM 67 CA GLY A 8 -10.312 23.692 -7.500 1.00 0.00 C ATOM 68 C GLY A 8 -9.569 22.448 -7.052 1.00 0.00 C ATOM 69 O GLY A 8 -10.084 21.659 -6.260 1.00 0.00 O ATOM 0 H GLY A 8 -9.626 24.575 -5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.361 23.446 -7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.911 24.027 -8.457 1.00 0.00 H new ATOM 73 N THR A 9 -8.354 22.272 -7.562 1.00 0.00 N ATOM 74 CA THR A 9 -7.540 21.115 -7.213 1.00 0.00 C ATOM 75 C THR A 9 -7.301 21.044 -5.709 1.00 0.00 C ATOM 76 O THR A 9 -6.419 21.719 -5.179 1.00 0.00 O ATOM 77 CB THR A 9 -6.180 21.146 -7.936 1.00 0.00 C ATOM 78 OG1 THR A 9 -5.508 22.380 -7.663 1.00 0.00 O ATOM 79 CG2 THR A 9 -6.362 20.983 -9.438 1.00 0.00 C ATOM 0 H THR A 9 -7.912 22.916 -8.218 1.00 0.00 H new ATOM 0 HA THR A 9 -8.093 20.232 -7.532 1.00 0.00 H new ATOM 0 HB THR A 9 -5.578 20.316 -7.567 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.613 22.607 -6.715 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.388 21.008 -9.927 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.847 20.029 -9.644 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.981 21.795 -9.820 1.00 0.00 H new ATOM 87 N ASP A 10 -8.091 20.222 -5.028 1.00 0.00 N ATOM 88 CA ASP A 10 -7.964 20.062 -3.584 1.00 0.00 C ATOM 89 C ASP A 10 -6.564 19.583 -3.211 1.00 0.00 C ATOM 90 O ASP A 10 -5.928 20.133 -2.313 1.00 0.00 O ATOM 91 CB ASP A 10 -9.009 19.073 -3.065 1.00 0.00 C ATOM 92 CG ASP A 10 -10.419 19.626 -3.142 1.00 0.00 C ATOM 93 OD1 ASP A 10 -10.568 20.866 -3.161 1.00 0.00 O ATOM 94 OD2 ASP A 10 -11.372 18.820 -3.183 1.00 0.00 O ATOM 0 H ASP A 10 -8.826 19.656 -5.452 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.132 21.034 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.951 18.151 -3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.779 18.815 -2.031 1.00 0.00 H new ATOM 99 N GLY A 11 -6.091 18.554 -3.908 1.00 0.00 N ATOM 100 CA GLY A 11 -4.770 18.018 -3.634 1.00 0.00 C ATOM 101 C GLY A 11 -4.650 17.461 -2.230 1.00 0.00 C ATOM 102 O GLY A 11 -4.547 18.214 -1.261 1.00 0.00 O ATOM 0 H GLY A 11 -6.598 18.082 -4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.544 17.232 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.027 18.803 -3.775 1.00 0.00 H new ATOM 106 N THR A 12 -4.664 16.137 -2.117 1.00 0.00 N ATOM 107 CA THR A 12 -4.559 15.479 -0.820 1.00 0.00 C ATOM 108 C THR A 12 -3.116 15.091 -0.516 1.00 0.00 C ATOM 109 O THR A 12 -2.442 14.471 -1.339 1.00 0.00 O ATOM 110 CB THR A 12 -5.442 14.218 -0.757 1.00 0.00 C ATOM 111 OG1 THR A 12 -5.169 13.372 -1.879 1.00 0.00 O ATOM 112 CG2 THR A 12 -6.917 14.591 -0.743 1.00 0.00 C ATOM 0 H THR A 12 -4.747 15.499 -2.908 1.00 0.00 H new ATOM 0 HA THR A 12 -4.905 16.194 -0.074 1.00 0.00 H new ATOM 0 HB THR A 12 -5.210 13.684 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.216 13.423 -2.103 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.521 13.685 -0.698 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.127 15.211 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.161 15.145 -1.649 1.00 0.00 H new ATOM 120 N LYS A 13 -2.647 15.459 0.671 1.00 0.00 N ATOM 121 CA LYS A 13 -1.284 15.149 1.086 1.00 0.00 C ATOM 122 C LYS A 13 -0.979 13.668 0.884 1.00 0.00 C ATOM 123 O LYS A 13 -1.854 12.808 0.991 1.00 0.00 O ATOM 124 CB LYS A 13 -1.077 15.528 2.554 1.00 0.00 C ATOM 125 CG LYS A 13 -0.873 17.017 2.774 1.00 0.00 C ATOM 126 CD LYS A 13 -0.989 17.383 4.245 1.00 0.00 C ATOM 127 CE LYS A 13 -0.702 18.859 4.475 1.00 0.00 C ATOM 128 NZ LYS A 13 0.739 19.181 4.280 1.00 0.00 N ATOM 0 H LYS A 13 -3.191 15.973 1.364 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.601 15.731 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.941 15.199 3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.212 14.990 2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.108 17.310 2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.612 17.576 2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.991 17.146 4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.292 16.780 4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.304 19.457 3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.002 19.134 5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.919 20.162 4.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.320 18.535 4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.986 19.072 3.276 1.00 0.00 H new ATOM 142 N PRO A 14 0.293 13.360 0.587 1.00 0.00 N ATOM 143 CA PRO A 14 0.743 11.983 0.367 1.00 0.00 C ATOM 144 C PRO A 14 0.741 11.160 1.650 1.00 0.00 C ATOM 145 O PRO A 14 1.721 11.152 2.394 1.00 0.00 O ATOM 146 CB PRO A 14 2.172 12.156 -0.155 1.00 0.00 C ATOM 147 CG PRO A 14 2.617 13.469 0.390 1.00 0.00 C ATOM 148 CD PRO A 14 1.388 14.333 0.444 1.00 0.00 C ATOM 0 HA PRO A 14 0.087 11.444 -0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.818 11.347 0.185 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.199 12.150 -1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.055 13.352 1.381 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.381 13.917 -0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.421 15.027 1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.278 14.932 -0.460 1.00 0.00 H new ATOM 156 N GLU A 15 -0.366 10.468 1.903 1.00 0.00 N ATOM 157 CA GLU A 15 -0.494 9.642 3.098 1.00 0.00 C ATOM 158 C GLU A 15 -1.243 8.349 2.788 1.00 0.00 C ATOM 159 O GLU A 15 -1.771 8.172 1.689 1.00 0.00 O ATOM 160 CB GLU A 15 -1.221 10.413 4.202 1.00 0.00 C ATOM 161 CG GLU A 15 -2.727 10.473 4.012 1.00 0.00 C ATOM 162 CD GLU A 15 -3.340 11.727 4.606 1.00 0.00 C ATOM 163 OE1 GLU A 15 -3.266 11.894 5.842 1.00 0.00 O ATOM 164 OE2 GLU A 15 -3.894 12.539 3.836 1.00 0.00 O ATOM 0 H GLU A 15 -1.186 10.463 1.297 1.00 0.00 H new ATOM 0 HA GLU A 15 0.509 9.387 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.003 9.947 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.828 11.429 4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.957 10.430 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.183 9.597 4.473 1.00 0.00 H new ATOM 171 N CYS A 16 -1.284 7.448 3.763 1.00 0.00 N ATOM 172 CA CYS A 16 -1.967 6.171 3.597 1.00 0.00 C ATOM 173 C CYS A 16 -3.066 6.001 4.641 1.00 0.00 C ATOM 174 O CYS A 16 -2.823 5.499 5.739 1.00 0.00 O ATOM 175 CB CYS A 16 -0.967 5.017 3.700 1.00 0.00 C ATOM 176 SG CYS A 16 -1.436 3.538 2.746 1.00 0.00 S ATOM 0 H CYS A 16 -0.852 7.579 4.678 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.426 6.159 2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.008 5.364 3.357 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.856 4.740 4.748 1.00 0.00 H new ATOM 181 N THR A 17 -4.277 6.422 4.291 1.00 0.00 N ATOM 182 CA THR A 17 -5.414 6.318 5.197 1.00 0.00 C ATOM 183 C THR A 17 -5.700 4.865 5.557 1.00 0.00 C ATOM 184 O THR A 17 -6.500 4.580 6.448 1.00 0.00 O ATOM 185 CB THR A 17 -6.682 6.942 4.583 1.00 0.00 C ATOM 186 OG1 THR A 17 -7.785 6.797 5.484 1.00 0.00 O ATOM 187 CG2 THR A 17 -7.017 6.284 3.252 1.00 0.00 C ATOM 0 H THR A 17 -4.496 6.838 3.386 1.00 0.00 H new ATOM 0 HA THR A 17 -5.148 6.868 6.100 1.00 0.00 H new ATOM 0 HB THR A 17 -6.493 8.001 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.637 6.018 6.059 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.916 6.740 2.837 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.187 6.421 2.559 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.189 5.219 3.406 1.00 0.00 H new ATOM 195 N LEU A 18 -5.040 3.947 4.858 1.00 0.00 N ATOM 196 CA LEU A 18 -5.222 2.521 5.105 1.00 0.00 C ATOM 197 C LEU A 18 -4.270 2.030 6.191 1.00 0.00 C ATOM 198 O LEU A 18 -4.667 1.289 7.090 1.00 0.00 O ATOM 199 CB LEU A 18 -4.997 1.728 3.816 1.00 0.00 C ATOM 200 CG LEU A 18 -4.724 0.233 3.987 1.00 0.00 C ATOM 201 CD1 LEU A 18 -5.983 -0.491 4.438 1.00 0.00 C ATOM 202 CD2 LEU A 18 -4.199 -0.365 2.690 1.00 0.00 C ATOM 0 H LEU A 18 -4.375 4.165 4.116 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.245 2.364 5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.876 1.846 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.157 2.172 3.282 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.962 0.108 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.770 -1.554 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.317 -0.081 5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.766 -0.358 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.010 -1.429 2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.938 -0.228 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.272 0.134 2.408 1.00 0.00 H new ATOM 214 N CYS A 19 -3.012 2.449 6.101 1.00 0.00 N ATOM 215 CA CYS A 19 -2.003 2.054 7.076 1.00 0.00 C ATOM 216 C CYS A 19 -1.724 3.187 8.060 1.00 0.00 C ATOM 217 O CYS A 19 -0.853 3.075 8.921 1.00 0.00 O ATOM 218 CB CYS A 19 -0.709 1.649 6.367 1.00 0.00 C ATOM 219 SG CYS A 19 -0.966 0.672 4.851 1.00 0.00 S ATOM 0 H CYS A 19 -2.667 3.062 5.362 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.387 1.199 7.633 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.148 2.549 6.116 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.094 1.073 7.058 1.00 0.00 H new ATOM 224 N GLY A 20 -2.471 4.279 7.924 1.00 0.00 N ATOM 225 CA GLY A 20 -2.289 5.416 8.807 1.00 0.00 C ATOM 226 C GLY A 20 -0.883 5.979 8.745 1.00 0.00 C ATOM 227 O GLY A 20 -0.422 6.622 9.688 1.00 0.00 O ATOM 0 H GLY A 20 -3.198 4.396 7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.002 6.197 8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.512 5.116 9.831 1.00 0.00 H new ATOM 231 N VAL A 21 -0.198 5.735 7.632 1.00 0.00 N ATOM 232 CA VAL A 21 1.165 6.222 7.451 1.00 0.00 C ATOM 233 C VAL A 21 1.204 7.398 6.482 1.00 0.00 C ATOM 234 O VAL A 21 0.885 7.255 5.302 1.00 0.00 O ATOM 235 CB VAL A 21 2.093 5.109 6.930 1.00 0.00 C ATOM 236 CG1 VAL A 21 3.525 5.613 6.826 1.00 0.00 C ATOM 237 CG2 VAL A 21 2.015 3.885 7.829 1.00 0.00 C ATOM 0 H VAL A 21 -0.564 5.203 6.842 1.00 0.00 H new ATOM 0 HA VAL A 21 1.517 6.550 8.429 1.00 0.00 H new ATOM 0 HB VAL A 21 1.760 4.821 5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.166 4.813 6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.565 6.457 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.871 5.930 7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.677 3.109 7.445 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.321 4.156 8.840 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.991 3.512 7.847 1.00 0.00 H new ATOM 247 N LYS A 22 1.599 8.561 6.988 1.00 0.00 N ATOM 248 CA LYS A 22 1.683 9.764 6.167 1.00 0.00 C ATOM 249 C LYS A 22 3.078 9.918 5.569 1.00 0.00 C ATOM 250 O LYS A 22 4.022 10.298 6.262 1.00 0.00 O ATOM 251 CB LYS A 22 1.334 10.999 7.000 1.00 0.00 C ATOM 252 CG LYS A 22 1.294 12.285 6.192 1.00 0.00 C ATOM 253 CD LYS A 22 1.342 13.510 7.091 1.00 0.00 C ATOM 254 CE LYS A 22 1.984 14.694 6.385 1.00 0.00 C ATOM 255 NZ LYS A 22 2.432 15.737 7.349 1.00 0.00 N ATOM 0 H LYS A 22 1.866 8.697 7.963 1.00 0.00 H new ATOM 0 HA LYS A 22 0.966 9.669 5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.364 10.846 7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.065 11.105 7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.136 12.307 5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.386 12.310 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.331 13.775 7.402 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.903 13.277 7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.837 14.349 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.272 15.129 5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.864 16.527 6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.614 16.084 7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.131 15.329 8.002 1.00 0.00 H new ATOM 269 N TYR A 23 3.200 9.623 4.280 1.00 0.00 N ATOM 270 CA TYR A 23 4.480 9.728 3.589 1.00 0.00 C ATOM 271 C TYR A 23 5.066 11.129 3.739 1.00 0.00 C ATOM 272 O TYR A 23 4.334 12.117 3.796 1.00 0.00 O ATOM 273 CB TYR A 23 4.313 9.389 2.107 1.00 0.00 C ATOM 274 CG TYR A 23 3.266 8.330 1.843 1.00 0.00 C ATOM 275 CD1 TYR A 23 3.146 7.222 2.672 1.00 0.00 C ATOM 276 CD2 TYR A 23 2.398 8.437 0.763 1.00 0.00 C ATOM 277 CE1 TYR A 23 2.191 6.252 2.434 1.00 0.00 C ATOM 278 CE2 TYR A 23 1.440 7.473 0.518 1.00 0.00 C ATOM 279 CZ TYR A 23 1.341 6.382 1.356 1.00 0.00 C ATOM 280 OH TYR A 23 0.389 5.418 1.115 1.00 0.00 O ATOM 0 H TYR A 23 2.428 9.309 3.692 1.00 0.00 H new ATOM 0 HA TYR A 23 5.169 9.015 4.042 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.046 10.295 1.563 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.270 9.049 1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.810 7.117 3.517 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.474 9.289 0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.111 5.397 3.089 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.772 7.573 -0.325 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.389 5.828 0.682 1.00 0.00 H new ATOM 290 N SER A 24 6.391 11.205 3.802 1.00 0.00 N ATOM 291 CA SER A 24 7.077 12.483 3.948 1.00 0.00 C ATOM 292 C SER A 24 7.358 13.108 2.585 1.00 0.00 C ATOM 293 O SER A 24 7.473 12.407 1.580 1.00 0.00 O ATOM 294 CB SER A 24 8.388 12.298 4.716 1.00 0.00 C ATOM 295 OG SER A 24 8.169 12.337 6.115 1.00 0.00 O ATOM 0 H SER A 24 7.011 10.397 3.754 1.00 0.00 H new ATOM 0 HA SER A 24 6.426 13.154 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.842 11.346 4.442 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.092 13.080 4.433 1.00 0.00 H new ATOM 0 HG SER A 24 9.021 12.215 6.583 1.00 0.00 H new ATOM 301 N ALA A 25 7.465 14.433 2.559 1.00 0.00 N ATOM 302 CA ALA A 25 7.734 15.153 1.321 1.00 0.00 C ATOM 303 C ALA A 25 8.641 14.344 0.400 1.00 0.00 C ATOM 304 O ALA A 25 8.504 14.393 -0.822 1.00 0.00 O ATOM 305 CB ALA A 25 8.358 16.508 1.623 1.00 0.00 C ATOM 0 H ALA A 25 7.369 15.029 3.381 1.00 0.00 H new ATOM 0 HA ALA A 25 6.785 15.308 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.554 17.035 0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.673 17.096 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.295 16.365 2.162 1.00 0.00 H new ATOM 311 N ARG A 26 9.569 13.601 0.995 1.00 0.00 N ATOM 312 CA ARG A 26 10.500 12.783 0.228 1.00 0.00 C ATOM 313 C ARG A 26 9.842 11.479 -0.214 1.00 0.00 C ATOM 314 O ARG A 26 9.812 11.158 -1.403 1.00 0.00 O ATOM 315 CB ARG A 26 11.749 12.480 1.058 1.00 0.00 C ATOM 316 CG ARG A 26 12.759 11.601 0.339 1.00 0.00 C ATOM 317 CD ARG A 26 14.035 11.440 1.151 1.00 0.00 C ATOM 318 NE ARG A 26 14.821 10.289 0.713 1.00 0.00 N ATOM 319 CZ ARG A 26 16.044 10.022 1.157 1.00 0.00 C ATOM 320 NH1 ARG A 26 16.617 10.819 2.048 1.00 0.00 N ATOM 321 NH2 ARG A 26 16.695 8.956 0.711 1.00 0.00 N ATOM 0 H ARG A 26 9.696 13.549 2.006 1.00 0.00 H new ATOM 0 HA ARG A 26 10.789 13.344 -0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.229 13.419 1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.449 11.991 1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.321 10.621 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.996 12.037 -0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.637 12.344 1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.782 11.326 2.205 1.00 0.00 H new ATOM 0 HE ARG A 26 14.408 9.656 0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.119 11.639 2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.556 10.612 2.388 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.257 8.340 0.026 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.634 8.752 1.053 1.00 0.00 H new ATOM 335 N LEU A 27 9.316 10.732 0.750 1.00 0.00 N ATOM 336 CA LEU A 27 8.658 9.462 0.461 1.00 0.00 C ATOM 337 C LEU A 27 7.531 9.650 -0.549 1.00 0.00 C ATOM 338 O LEU A 27 7.111 10.775 -0.823 1.00 0.00 O ATOM 339 CB LEU A 27 8.107 8.847 1.748 1.00 0.00 C ATOM 340 CG LEU A 27 7.525 7.438 1.623 1.00 0.00 C ATOM 341 CD1 LEU A 27 8.579 6.469 1.110 1.00 0.00 C ATOM 342 CD2 LEU A 27 6.972 6.968 2.961 1.00 0.00 C ATOM 0 H LEU A 27 9.332 10.983 1.738 1.00 0.00 H new ATOM 0 HA LEU A 27 9.398 8.787 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.907 8.824 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.331 9.506 2.139 1.00 0.00 H new ATOM 0 HG LEU A 27 6.706 7.467 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.147 5.472 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.928 6.796 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.419 6.444 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.562 5.964 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.772 6.956 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.185 7.648 3.288 1.00 0.00 H new ATOM 354 N SER A 28 7.045 8.542 -1.099 1.00 0.00 N ATOM 355 CA SER A 28 5.967 8.585 -2.080 1.00 0.00 C ATOM 356 C SER A 28 5.062 7.364 -1.947 1.00 0.00 C ATOM 357 O SER A 28 5.474 6.327 -1.427 1.00 0.00 O ATOM 358 CB SER A 28 6.541 8.656 -3.497 1.00 0.00 C ATOM 359 OG SER A 28 6.997 9.963 -3.797 1.00 0.00 O ATOM 0 H SER A 28 7.381 7.604 -0.882 1.00 0.00 H new ATOM 0 HA SER A 28 5.372 9.479 -1.891 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.364 7.949 -3.595 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.778 8.359 -4.217 1.00 0.00 H new ATOM 0 HG SER A 28 6.998 10.505 -2.980 1.00 0.00 H new ATOM 365 N ILE A 29 3.827 7.497 -2.419 1.00 0.00 N ATOM 366 CA ILE A 29 2.864 6.405 -2.354 1.00 0.00 C ATOM 367 C ILE A 29 3.512 5.076 -2.728 1.00 0.00 C ATOM 368 O ILE A 29 3.333 4.071 -2.040 1.00 0.00 O ATOM 369 CB ILE A 29 1.663 6.658 -3.284 1.00 0.00 C ATOM 370 CG1 ILE A 29 0.710 5.461 -3.259 1.00 0.00 C ATOM 371 CG2 ILE A 29 2.140 6.932 -4.703 1.00 0.00 C ATOM 372 CD1 ILE A 29 -0.080 5.344 -1.975 1.00 0.00 C ATOM 0 H ILE A 29 3.470 8.350 -2.850 1.00 0.00 H new ATOM 0 HA ILE A 29 2.512 6.356 -1.324 1.00 0.00 H new ATOM 0 HB ILE A 29 1.124 7.536 -2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.017 5.541 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.284 4.547 -3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.280 7.109 -5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.784 7.812 -4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.699 6.072 -5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.734 4.474 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.605 5.232 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.682 6.242 -1.835 1.00 0.00 H new ATOM 384 N ARG A 30 4.266 5.080 -3.822 1.00 0.00 N ATOM 385 CA ARG A 30 4.942 3.875 -4.288 1.00 0.00 C ATOM 386 C ARG A 30 5.870 3.321 -3.211 1.00 0.00 C ATOM 387 O ARG A 30 5.574 2.302 -2.587 1.00 0.00 O ATOM 388 CB ARG A 30 5.739 4.171 -5.560 1.00 0.00 C ATOM 389 CG ARG A 30 4.944 3.963 -6.839 1.00 0.00 C ATOM 390 CD ARG A 30 5.811 4.163 -8.072 1.00 0.00 C ATOM 391 NE ARG A 30 6.365 5.512 -8.138 1.00 0.00 N ATOM 392 CZ ARG A 30 5.658 6.582 -8.485 1.00 0.00 C ATOM 393 NH1 ARG A 30 4.374 6.459 -8.795 1.00 0.00 N ATOM 394 NH2 ARG A 30 6.233 7.777 -8.522 1.00 0.00 N ATOM 0 H ARG A 30 4.424 5.904 -4.402 1.00 0.00 H new ATOM 0 HA ARG A 30 4.182 3.125 -4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.093 5.201 -5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.622 3.532 -5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.523 2.958 -6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.106 4.659 -6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.624 3.437 -8.065 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.219 3.970 -8.967 1.00 0.00 H new ATOM 0 HE ARG A 30 7.350 5.640 -7.905 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.928 5.542 -8.767 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.833 7.281 -9.061 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.220 7.876 -8.284 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.688 8.597 -8.789 1.00 0.00 H new ATOM 408 N ASP A 31 6.992 3.999 -2.998 1.00 0.00 N ATOM 409 CA ASP A 31 7.964 3.576 -1.996 1.00 0.00 C ATOM 410 C ASP A 31 7.265 2.963 -0.787 1.00 0.00 C ATOM 411 O ASP A 31 7.782 2.039 -0.160 1.00 0.00 O ATOM 412 CB ASP A 31 8.825 4.761 -1.557 1.00 0.00 C ATOM 413 CG ASP A 31 9.880 5.123 -2.585 1.00 0.00 C ATOM 414 OD1 ASP A 31 9.562 5.104 -3.792 1.00 0.00 O ATOM 415 OD2 ASP A 31 11.023 5.423 -2.181 1.00 0.00 O ATOM 0 H ASP A 31 7.251 4.845 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 31 8.606 2.818 -2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.185 5.625 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.311 4.523 -0.611 1.00 0.00 H new ATOM 420 N HIS A 32 6.086 3.486 -0.463 1.00 0.00 N ATOM 421 CA HIS A 32 5.316 2.991 0.672 1.00 0.00 C ATOM 422 C HIS A 32 4.735 1.611 0.375 1.00 0.00 C ATOM 423 O HIS A 32 5.162 0.611 0.952 1.00 0.00 O ATOM 424 CB HIS A 32 4.191 3.967 1.017 1.00 0.00 C ATOM 425 CG HIS A 32 3.331 3.512 2.156 1.00 0.00 C ATOM 426 ND1 HIS A 32 3.814 3.323 3.434 1.00 0.00 N ATOM 427 CD2 HIS A 32 2.013 3.211 2.205 1.00 0.00 C ATOM 428 CE1 HIS A 32 2.830 2.923 4.219 1.00 0.00 C ATOM 429 NE2 HIS A 32 1.726 2.847 3.498 1.00 0.00 N ATOM 0 H HIS A 32 5.644 4.252 -0.971 1.00 0.00 H new ATOM 0 HA HIS A 32 5.988 2.907 1.526 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.625 4.936 1.265 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.566 4.114 0.136 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.780 3.469 3.727 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.316 3.250 1.381 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.914 2.697 5.272 1.00 0.00 H new ATOM 437 N ILE A 33 3.761 1.567 -0.527 1.00 0.00 N ATOM 438 CA ILE A 33 3.123 0.311 -0.901 1.00 0.00 C ATOM 439 C ILE A 33 4.161 -0.760 -1.219 1.00 0.00 C ATOM 440 O ILE A 33 3.871 -1.955 -1.171 1.00 0.00 O ATOM 441 CB ILE A 33 2.197 0.489 -2.118 1.00 0.00 C ATOM 442 CG1 ILE A 33 3.002 0.941 -3.338 1.00 0.00 C ATOM 443 CG2 ILE A 33 1.096 1.491 -1.803 1.00 0.00 C ATOM 444 CD1 ILE A 33 2.163 1.125 -4.582 1.00 0.00 C ATOM 0 H ILE A 33 3.396 2.387 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 33 2.527 -0.006 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 33 1.734 -0.471 -2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.502 1.881 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.782 0.207 -3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.449 1.606 -2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.508 1.132 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.541 2.454 -1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.800 1.446 -5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.683 0.181 -4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.400 1.881 -4.398 1.00 0.00 H new ATOM 456 N PHE A 34 5.374 -0.322 -1.544 1.00 0.00 N ATOM 457 CA PHE A 34 6.457 -1.243 -1.870 1.00 0.00 C ATOM 458 C PHE A 34 7.220 -1.651 -0.613 1.00 0.00 C ATOM 459 O PHE A 34 8.408 -1.967 -0.671 1.00 0.00 O ATOM 460 CB PHE A 34 7.414 -0.601 -2.876 1.00 0.00 C ATOM 461 CG PHE A 34 6.980 -0.763 -4.304 1.00 0.00 C ATOM 462 CD1 PHE A 34 7.286 -1.917 -5.009 1.00 0.00 C ATOM 463 CD2 PHE A 34 6.266 0.237 -4.943 1.00 0.00 C ATOM 464 CE1 PHE A 34 6.888 -2.068 -6.324 1.00 0.00 C ATOM 465 CE2 PHE A 34 5.865 0.092 -6.258 1.00 0.00 C ATOM 466 CZ PHE A 34 6.175 -1.063 -6.948 1.00 0.00 C ATOM 0 H PHE A 34 5.631 0.664 -1.588 1.00 0.00 H new ATOM 0 HA PHE A 34 6.020 -2.137 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.506 0.462 -2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.404 -1.039 -2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.842 -2.707 -4.525 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.019 1.142 -4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.134 -2.971 -6.863 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.310 0.881 -6.745 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.860 -1.181 -7.974 1.00 0.00 H new ATOM 476 N SER A 35 6.528 -1.642 0.522 1.00 0.00 N ATOM 477 CA SER A 35 7.140 -2.007 1.794 1.00 0.00 C ATOM 478 C SER A 35 6.256 -2.984 2.562 1.00 0.00 C ATOM 479 O SER A 35 5.048 -2.780 2.689 1.00 0.00 O ATOM 480 CB SER A 35 7.393 -0.757 2.639 1.00 0.00 C ATOM 481 OG SER A 35 8.414 0.045 2.072 1.00 0.00 O ATOM 0 H SER A 35 5.543 -1.386 0.586 1.00 0.00 H new ATOM 0 HA SER A 35 8.092 -2.494 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.474 -0.177 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.676 -1.049 3.650 1.00 0.00 H new ATOM 0 HG SER A 35 8.028 0.630 1.387 1.00 0.00 H new ATOM 487 N LYS A 36 6.866 -4.048 3.073 1.00 0.00 N ATOM 488 CA LYS A 36 6.137 -5.059 3.830 1.00 0.00 C ATOM 489 C LYS A 36 5.101 -4.412 4.743 1.00 0.00 C ATOM 490 O LYS A 36 3.931 -4.796 4.739 1.00 0.00 O ATOM 491 CB LYS A 36 7.108 -5.902 4.660 1.00 0.00 C ATOM 492 CG LYS A 36 6.441 -7.054 5.391 1.00 0.00 C ATOM 493 CD LYS A 36 5.943 -6.631 6.763 1.00 0.00 C ATOM 494 CE LYS A 36 5.425 -7.819 7.559 1.00 0.00 C ATOM 495 NZ LYS A 36 6.532 -8.693 8.036 1.00 0.00 N ATOM 0 H LYS A 36 7.864 -4.233 2.977 1.00 0.00 H new ATOM 0 HA LYS A 36 5.619 -5.705 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.883 -6.299 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.604 -5.259 5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.605 -7.427 4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.148 -7.877 5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.752 -6.149 7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.149 -5.893 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.851 -7.461 8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.744 -8.402 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.152 -9.412 8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.979 -9.162 7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.239 -8.116 8.535 1.00 0.00 H new ATOM 509 N GLN A 37 5.537 -3.428 5.523 1.00 0.00 N ATOM 510 CA GLN A 37 4.645 -2.728 6.440 1.00 0.00 C ATOM 511 C GLN A 37 3.268 -2.529 5.815 1.00 0.00 C ATOM 512 O GLN A 37 2.247 -2.848 6.424 1.00 0.00 O ATOM 513 CB GLN A 37 5.241 -1.375 6.831 1.00 0.00 C ATOM 514 CG GLN A 37 4.585 -0.751 8.052 1.00 0.00 C ATOM 515 CD GLN A 37 3.209 -0.190 7.753 1.00 0.00 C ATOM 516 OE1 GLN A 37 2.201 -0.886 7.878 1.00 0.00 O ATOM 517 NE2 GLN A 37 3.160 1.076 7.355 1.00 0.00 N ATOM 0 H GLN A 37 6.502 -3.098 5.538 1.00 0.00 H new ATOM 0 HA GLN A 37 4.532 -3.340 7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.306 -1.499 7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.148 -0.689 5.989 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.504 -1.501 8.839 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.223 0.046 8.435 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.021 1.616 7.265 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.262 1.508 7.139 1.00 0.00 H new ATOM 526 N HIS A 38 3.248 -2.000 4.595 1.00 0.00 N ATOM 527 CA HIS A 38 1.996 -1.758 3.887 1.00 0.00 C ATOM 528 C HIS A 38 1.413 -3.063 3.355 1.00 0.00 C ATOM 529 O HIS A 38 0.217 -3.322 3.495 1.00 0.00 O ATOM 530 CB HIS A 38 2.219 -0.778 2.735 1.00 0.00 C ATOM 531 CG HIS A 38 1.063 -0.698 1.785 1.00 0.00 C ATOM 532 ND1 HIS A 38 0.213 0.386 1.724 1.00 0.00 N ATOM 533 CD2 HIS A 38 0.620 -1.575 0.855 1.00 0.00 C ATOM 534 CE1 HIS A 38 -0.704 0.172 0.797 1.00 0.00 C ATOM 535 NE2 HIS A 38 -0.479 -1.011 0.255 1.00 0.00 N ATOM 0 H HIS A 38 4.084 -1.731 4.077 1.00 0.00 H new ATOM 0 HA HIS A 38 1.286 -1.324 4.591 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.412 0.214 3.144 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.112 -1.074 2.184 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.050 -2.539 0.627 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.501 0.849 0.528 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.032 -1.437 -0.489 1.00 0.00 H new ATOM 543 N ILE A 39 2.264 -3.881 2.745 1.00 0.00 N ATOM 544 CA ILE A 39 1.832 -5.159 2.193 1.00 0.00 C ATOM 545 C ILE A 39 0.882 -5.877 3.146 1.00 0.00 C ATOM 546 O ILE A 39 -0.260 -6.174 2.795 1.00 0.00 O ATOM 547 CB ILE A 39 3.031 -6.077 1.892 1.00 0.00 C ATOM 548 CG1 ILE A 39 4.003 -5.386 0.934 1.00 0.00 C ATOM 549 CG2 ILE A 39 2.554 -7.399 1.310 1.00 0.00 C ATOM 550 CD1 ILE A 39 3.379 -5.009 -0.392 1.00 0.00 C ATOM 0 H ILE A 39 3.257 -3.682 2.621 1.00 0.00 H new ATOM 0 HA ILE A 39 1.311 -4.940 1.261 1.00 0.00 H new ATOM 0 HB ILE A 39 3.555 -6.282 2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.394 -4.487 1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.852 -6.045 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.413 -8.037 1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.898 -7.896 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.008 -7.213 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.126 -4.524 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.013 -5.907 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.548 -4.325 -0.222 1.00 0.00 H new ATOM 562 N SER A 40 1.362 -6.152 4.355 1.00 0.00 N ATOM 563 CA SER A 40 0.557 -6.837 5.359 1.00 0.00 C ATOM 564 C SER A 40 -0.827 -6.205 5.469 1.00 0.00 C ATOM 565 O SER A 40 -1.845 -6.895 5.411 1.00 0.00 O ATOM 566 CB SER A 40 1.258 -6.798 6.718 1.00 0.00 C ATOM 567 OG SER A 40 2.106 -7.921 6.887 1.00 0.00 O ATOM 0 H SER A 40 2.304 -5.911 4.663 1.00 0.00 H new ATOM 0 HA SER A 40 0.439 -7.875 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.842 -5.881 6.803 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.514 -6.777 7.514 1.00 0.00 H new ATOM 0 HG SER A 40 2.544 -7.872 7.762 1.00 0.00 H new ATOM 573 N LYS A 41 -0.857 -4.886 5.629 1.00 0.00 N ATOM 574 CA LYS A 41 -2.115 -4.158 5.747 1.00 0.00 C ATOM 575 C LYS A 41 -3.054 -4.505 4.596 1.00 0.00 C ATOM 576 O LYS A 41 -4.270 -4.583 4.776 1.00 0.00 O ATOM 577 CB LYS A 41 -1.855 -2.650 5.769 1.00 0.00 C ATOM 578 CG LYS A 41 -2.898 -1.864 6.545 1.00 0.00 C ATOM 579 CD LYS A 41 -2.776 -2.100 8.041 1.00 0.00 C ATOM 580 CE LYS A 41 -4.029 -1.657 8.779 1.00 0.00 C ATOM 581 NZ LYS A 41 -3.763 -1.406 10.223 1.00 0.00 N ATOM 0 H LYS A 41 -0.024 -4.299 5.680 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.590 -4.453 6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.874 -2.465 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.822 -2.280 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.785 -0.801 6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.895 -2.152 6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.596 -3.158 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.914 -1.556 8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.420 -0.750 8.319 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.799 -2.422 8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.642 -1.106 10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.414 -2.279 10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.047 -0.658 10.319 1.00 0.00 H new ATOM 595 N VAL A 42 -2.483 -4.713 3.414 1.00 0.00 N ATOM 596 CA VAL A 42 -3.270 -5.055 2.235 1.00 0.00 C ATOM 597 C VAL A 42 -3.775 -6.491 2.308 1.00 0.00 C ATOM 598 O VAL A 42 -4.869 -6.800 1.835 1.00 0.00 O ATOM 599 CB VAL A 42 -2.450 -4.876 0.943 1.00 0.00 C ATOM 600 CG1 VAL A 42 -3.283 -5.251 -0.274 1.00 0.00 C ATOM 601 CG2 VAL A 42 -1.939 -3.448 0.830 1.00 0.00 C ATOM 0 H VAL A 42 -1.479 -4.651 3.247 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.121 -4.375 2.214 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.589 -5.543 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.688 -5.118 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.595 -6.292 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.164 -4.611 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.362 -3.340 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.784 -2.760 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.304 -3.220 1.686 1.00 0.00 H new ATOM 611 N ARG A 43 -2.972 -7.366 2.905 1.00 0.00 N ATOM 612 CA ARG A 43 -3.337 -8.771 3.041 1.00 0.00 C ATOM 613 C ARG A 43 -4.328 -8.967 4.185 1.00 0.00 C ATOM 614 O ARG A 43 -5.049 -9.963 4.229 1.00 0.00 O ATOM 615 CB ARG A 43 -2.090 -9.623 3.280 1.00 0.00 C ATOM 616 CG ARG A 43 -1.247 -9.833 2.033 1.00 0.00 C ATOM 617 CD ARG A 43 0.092 -10.473 2.366 1.00 0.00 C ATOM 618 NE ARG A 43 -0.031 -11.909 2.600 1.00 0.00 N ATOM 619 CZ ARG A 43 -0.367 -12.437 3.772 1.00 0.00 C ATOM 620 NH1 ARG A 43 -0.611 -11.651 4.811 1.00 0.00 N ATOM 621 NH2 ARG A 43 -0.458 -13.754 3.906 1.00 0.00 N ATOM 0 H ARG A 43 -2.064 -7.126 3.302 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.813 -9.088 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.477 -9.148 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.393 -10.594 3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.788 -10.465 1.329 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.081 -8.875 1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.791 -10.298 1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.511 -9.996 3.252 1.00 0.00 H new ATOM 0 HE ARG A 43 0.151 -12.542 1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.541 -10.638 4.712 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.869 -12.059 5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.270 -14.362 3.109 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.716 -14.158 4.806 1.00 0.00 H new ATOM 635 N GLU A 44 -4.356 -8.010 5.107 1.00 0.00 N ATOM 636 CA GLU A 44 -5.257 -8.080 6.252 1.00 0.00 C ATOM 637 C GLU A 44 -6.567 -7.356 5.957 1.00 0.00 C ATOM 638 O GLU A 44 -7.652 -7.892 6.185 1.00 0.00 O ATOM 639 CB GLU A 44 -4.593 -7.472 7.489 1.00 0.00 C ATOM 640 CG GLU A 44 -3.438 -8.299 8.028 1.00 0.00 C ATOM 641 CD GLU A 44 -3.800 -9.761 8.207 1.00 0.00 C ATOM 642 OE1 GLU A 44 -4.479 -10.087 9.203 1.00 0.00 O ATOM 643 OE2 GLU A 44 -3.405 -10.579 7.350 1.00 0.00 O ATOM 0 H GLU A 44 -3.766 -7.178 5.084 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.477 -9.130 6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.230 -6.474 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.342 -7.355 8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.590 -8.219 7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.118 -7.888 8.985 1.00 0.00 H new ATOM 650 N THR A 45 -6.459 -6.132 5.449 1.00 0.00 N ATOM 651 CA THR A 45 -7.634 -5.333 5.124 1.00 0.00 C ATOM 652 C THR A 45 -8.723 -6.189 4.488 1.00 0.00 C ATOM 653 O THR A 45 -9.913 -5.928 4.663 1.00 0.00 O ATOM 654 CB THR A 45 -7.281 -4.178 4.168 1.00 0.00 C ATOM 655 OG1 THR A 45 -8.311 -3.183 4.200 1.00 0.00 O ATOM 656 CG2 THR A 45 -7.105 -4.687 2.746 1.00 0.00 C ATOM 0 H THR A 45 -5.569 -5.673 5.254 1.00 0.00 H new ATOM 0 HA THR A 45 -8.003 -4.919 6.062 1.00 0.00 H new ATOM 0 HB THR A 45 -6.340 -3.737 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.078 -2.452 3.591 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.856 -3.853 2.089 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.301 -5.422 2.720 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.032 -5.151 2.408 1.00 0.00 H new ATOM 664 N VAL A 46 -8.308 -7.213 3.749 1.00 0.00 N ATOM 665 CA VAL A 46 -9.249 -8.109 3.088 1.00 0.00 C ATOM 666 C VAL A 46 -9.171 -9.515 3.672 1.00 0.00 C ATOM 667 O VAL A 46 -10.190 -10.182 3.850 1.00 0.00 O ATOM 668 CB VAL A 46 -8.986 -8.180 1.572 1.00 0.00 C ATOM 669 CG1 VAL A 46 -7.516 -8.458 1.297 1.00 0.00 C ATOM 670 CG2 VAL A 46 -9.868 -9.239 0.927 1.00 0.00 C ATOM 0 H VAL A 46 -7.326 -7.443 3.593 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.246 -7.702 3.258 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.236 -7.215 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.350 -8.505 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.909 -7.660 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.235 -9.409 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.669 -9.275 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.652 -10.211 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.916 -8.990 1.093 1.00 0.00 H new ATOM 680 N GLY A 47 -7.954 -9.961 3.969 1.00 0.00 N ATOM 681 CA GLY A 47 -7.765 -11.286 4.530 1.00 0.00 C ATOM 682 C GLY A 47 -7.582 -11.257 6.035 1.00 0.00 C ATOM 683 O GLY A 47 -6.460 -11.138 6.528 1.00 0.00 O ATOM 0 H GLY A 47 -7.095 -9.428 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.626 -11.908 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.893 -11.751 4.070 1.00 0.00 H new ATOM 687 N SER A 48 -8.686 -11.365 6.766 1.00 0.00 N ATOM 688 CA SER A 48 -8.643 -11.345 8.224 1.00 0.00 C ATOM 689 C SER A 48 -9.169 -12.656 8.801 1.00 0.00 C ATOM 690 O SER A 48 -9.992 -13.331 8.183 1.00 0.00 O ATOM 691 CB SER A 48 -9.463 -10.172 8.764 1.00 0.00 C ATOM 692 OG SER A 48 -10.811 -10.251 8.334 1.00 0.00 O ATOM 0 H SER A 48 -9.622 -11.467 6.373 1.00 0.00 H new ATOM 0 HA SER A 48 -7.604 -11.224 8.530 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.425 -10.169 9.853 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.025 -9.232 8.427 1.00 0.00 H new ATOM 0 HG SER A 48 -11.314 -9.491 8.694 1.00 0.00 H new ATOM 698 N GLN A 49 -8.687 -13.008 9.988 1.00 0.00 N ATOM 699 CA GLN A 49 -9.108 -14.238 10.649 1.00 0.00 C ATOM 700 C GLN A 49 -10.133 -13.947 11.739 1.00 0.00 C ATOM 701 O GLN A 49 -9.777 -13.731 12.899 1.00 0.00 O ATOM 702 CB GLN A 49 -7.899 -14.959 11.247 1.00 0.00 C ATOM 703 CG GLN A 49 -8.263 -16.212 12.027 1.00 0.00 C ATOM 704 CD GLN A 49 -8.672 -17.362 11.127 1.00 0.00 C ATOM 705 OE1 GLN A 49 -9.712 -17.312 10.471 1.00 0.00 O ATOM 706 NE2 GLN A 49 -7.852 -18.406 11.091 1.00 0.00 N ATOM 0 H GLN A 49 -8.005 -12.459 10.512 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.573 -14.882 9.902 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.213 -15.227 10.444 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.366 -14.273 11.906 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.411 -16.517 12.635 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.079 -15.984 12.713 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.000 -18.405 11.652 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.074 -19.209 10.503 1.00 0.00 H new ATOM 715 N LEU A 50 -11.407 -13.942 11.362 1.00 0.00 N ATOM 716 CA LEU A 50 -12.485 -13.677 12.308 1.00 0.00 C ATOM 717 C LEU A 50 -13.605 -14.702 12.159 1.00 0.00 C ATOM 718 O LEU A 50 -13.611 -15.497 11.218 1.00 0.00 O ATOM 719 CB LEU A 50 -13.038 -12.266 12.099 1.00 0.00 C ATOM 720 CG LEU A 50 -13.988 -12.087 10.915 1.00 0.00 C ATOM 721 CD1 LEU A 50 -15.423 -12.370 11.334 1.00 0.00 C ATOM 722 CD2 LEU A 50 -13.865 -10.683 10.341 1.00 0.00 C ATOM 0 H LEU A 50 -11.719 -14.119 10.407 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.078 -13.755 13.316 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.560 -11.964 13.007 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.198 -11.583 11.972 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.710 -12.801 10.140 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.085 -12.237 10.478 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.501 -13.395 11.697 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.713 -11.681 12.127 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.548 -10.573 9.499 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.116 -9.952 11.110 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.842 -10.517 10.002 1.00 0.00 H new ATOM 734 N ASP A 51 -14.550 -14.677 13.091 1.00 0.00 N ATOM 735 CA ASP A 51 -15.678 -15.602 13.062 1.00 0.00 C ATOM 736 C ASP A 51 -16.858 -14.996 12.308 1.00 0.00 C ATOM 737 O ASP A 51 -17.628 -14.214 12.866 1.00 0.00 O ATOM 738 CB ASP A 51 -16.100 -15.970 14.485 1.00 0.00 C ATOM 739 CG ASP A 51 -14.968 -16.584 15.284 1.00 0.00 C ATOM 740 OD1 ASP A 51 -14.461 -17.649 14.874 1.00 0.00 O ATOM 741 OD2 ASP A 51 -14.587 -15.999 16.320 1.00 0.00 O ATOM 0 H ASP A 51 -14.558 -14.026 13.877 1.00 0.00 H new ATOM 0 HA ASP A 51 -15.362 -16.506 12.540 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.459 -15.077 14.997 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -16.934 -16.671 14.444 1.00 0.00 H new ATOM 746 N ARG A 52 -16.993 -15.362 11.038 1.00 0.00 N ATOM 747 CA ARG A 52 -18.078 -14.853 10.207 1.00 0.00 C ATOM 748 C ARG A 52 -19.204 -15.877 10.097 1.00 0.00 C ATOM 749 O ARG A 52 -18.999 -16.988 9.612 1.00 0.00 O ATOM 750 CB ARG A 52 -17.558 -14.499 8.813 1.00 0.00 C ATOM 751 CG ARG A 52 -18.659 -14.179 7.815 1.00 0.00 C ATOM 752 CD ARG A 52 -19.028 -12.705 7.847 1.00 0.00 C ATOM 753 NE ARG A 52 -19.777 -12.302 6.659 1.00 0.00 N ATOM 754 CZ ARG A 52 -20.388 -11.129 6.538 1.00 0.00 C ATOM 755 NH1 ARG A 52 -20.340 -10.247 7.527 1.00 0.00 N ATOM 756 NH2 ARG A 52 -21.049 -10.836 5.426 1.00 0.00 N ATOM 0 H ARG A 52 -16.365 -16.009 10.562 1.00 0.00 H new ATOM 0 HA ARG A 52 -18.473 -13.953 10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.889 -13.642 8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.966 -15.332 8.433 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.332 -14.452 6.811 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.540 -14.781 8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -19.622 -12.499 8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -18.121 -12.106 7.924 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.834 -12.958 5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.833 -10.469 8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.810 -9.347 7.431 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -21.088 -11.512 4.663 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.518 -9.935 5.334 1.00 0.00 H new ATOM 770 N GLU A 53 -20.393 -15.492 10.552 1.00 0.00 N ATOM 771 CA GLU A 53 -21.550 -16.377 10.506 1.00 0.00 C ATOM 772 C GLU A 53 -21.754 -16.933 9.099 1.00 0.00 C ATOM 773 O GLU A 53 -21.840 -16.180 8.128 1.00 0.00 O ATOM 774 CB GLU A 53 -22.808 -15.633 10.959 1.00 0.00 C ATOM 775 CG GLU A 53 -23.988 -16.547 11.242 1.00 0.00 C ATOM 776 CD GLU A 53 -25.190 -15.798 11.782 1.00 0.00 C ATOM 777 OE1 GLU A 53 -26.012 -15.330 10.967 1.00 0.00 O ATOM 778 OE2 GLU A 53 -25.309 -15.680 13.020 1.00 0.00 O ATOM 0 H GLU A 53 -20.579 -14.574 10.956 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.365 -17.210 11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.578 -15.062 11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.092 -14.915 10.190 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -24.269 -17.065 10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.688 -17.310 11.960 1.00 0.00 H new ATOM 785 N LYS A 54 -21.831 -18.255 8.997 1.00 0.00 N ATOM 786 CA LYS A 54 -22.026 -18.914 7.711 1.00 0.00 C ATOM 787 C LYS A 54 -23.476 -19.354 7.539 1.00 0.00 C ATOM 788 O LYS A 54 -23.914 -20.333 8.143 1.00 0.00 O ATOM 789 CB LYS A 54 -21.097 -20.124 7.589 1.00 0.00 C ATOM 790 CG LYS A 54 -21.343 -21.189 8.644 1.00 0.00 C ATOM 791 CD LYS A 54 -20.083 -21.986 8.936 1.00 0.00 C ATOM 792 CE LYS A 54 -20.164 -22.683 10.285 1.00 0.00 C ATOM 793 NZ LYS A 54 -20.003 -21.725 11.414 1.00 0.00 N ATOM 0 H LYS A 54 -21.761 -18.892 9.790 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.786 -18.198 6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -21.220 -20.568 6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -20.063 -19.786 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -21.698 -20.719 9.561 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -22.130 -21.863 8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -19.930 -22.727 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -19.219 -21.322 8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -21.124 -23.192 10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.391 -23.449 10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.827 -22.251 12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -19.200 -21.093 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -20.870 -21.160 11.517 1.00 0.00 H new ATOM 807 N ASP A 55 -24.216 -18.626 6.710 1.00 0.00 N ATOM 808 CA ASP A 55 -25.617 -18.942 6.456 1.00 0.00 C ATOM 809 C ASP A 55 -25.747 -20.261 5.700 1.00 0.00 C ATOM 810 O ASP A 55 -26.676 -21.033 5.936 1.00 0.00 O ATOM 811 CB ASP A 55 -26.281 -17.817 5.662 1.00 0.00 C ATOM 812 CG ASP A 55 -27.729 -18.118 5.331 1.00 0.00 C ATOM 813 OD1 ASP A 55 -28.597 -17.890 6.200 1.00 0.00 O ATOM 814 OD2 ASP A 55 -27.996 -18.581 4.202 1.00 0.00 O ATOM 0 H ASP A 55 -23.869 -17.812 6.202 1.00 0.00 H new ATOM 0 HA ASP A 55 -26.121 -19.043 7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -26.227 -16.891 6.235 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -25.727 -17.652 4.738 1.00 0.00 H new TER 819 ASP A 55 HETATM 820 ZN ZN A 201 -0.013 1.766 3.067 1.00 0.00 ZN