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+ -139:sc= 0.0534 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 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 47:sc= 0.431 USER MOD Single : A 13 LYS NZ :NH3+ 164:sc=-0.00872 (180deg=-0.158) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -117:sc= -1.76 (180deg=-5.12!) USER MOD Single : A 23 TYR OH : rot 150:sc= -1.08 USER MOD Single : A 24 SER OG : rot 180:sc= 0.054 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 93:sc= 0.166 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00994 X(o=-0.0099,f=-0.0099) 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 -19:sc= 0.378 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.067 41.194 11.098 1.00 0.00 N ATOM 2 CA GLY A 1 -20.022 40.300 10.468 1.00 0.00 C ATOM 3 C GLY A 1 -19.383 39.009 9.996 1.00 0.00 C ATOM 4 O GLY A 1 -18.345 38.596 10.514 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.501 41.631 11.936 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.225 40.656 11.386 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.790 41.936 10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.820 40.070 11.174 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.483 40.805 9.619 1.00 0.00 H new ATOM 8 N SER A 2 -20.004 38.369 9.011 1.00 0.00 N ATOM 9 CA SER A 2 -19.493 37.114 8.473 1.00 0.00 C ATOM 10 C SER A 2 -18.050 37.273 8.002 1.00 0.00 C ATOM 11 O SER A 2 -17.737 38.166 7.216 1.00 0.00 O ATOM 12 CB SER A 2 -20.370 36.637 7.314 1.00 0.00 C ATOM 13 OG SER A 2 -21.555 36.024 7.790 1.00 0.00 O ATOM 0 H SER A 2 -20.862 38.699 8.569 1.00 0.00 H new ATOM 0 HA SER A 2 -19.518 36.369 9.268 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.626 37.483 6.675 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.813 35.930 6.699 1.00 0.00 H new ATOM 0 HG SER A 2 -22.099 35.729 7.030 1.00 0.00 H new ATOM 19 N SER A 3 -17.176 36.398 8.489 1.00 0.00 N ATOM 20 CA SER A 3 -15.765 36.442 8.122 1.00 0.00 C ATOM 21 C SER A 3 -15.128 35.062 8.248 1.00 0.00 C ATOM 22 O SER A 3 -14.977 34.533 9.348 1.00 0.00 O ATOM 23 CB SER A 3 -15.018 37.444 9.005 1.00 0.00 C ATOM 24 OG SER A 3 -13.659 37.550 8.619 1.00 0.00 O ATOM 0 H SER A 3 -17.420 35.650 9.138 1.00 0.00 H new ATOM 0 HA SER A 3 -15.695 36.762 7.082 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.496 38.421 8.936 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.080 37.132 10.047 1.00 0.00 H new ATOM 0 HG SER A 3 -13.204 38.197 9.197 1.00 0.00 H new ATOM 30 N GLY A 4 -14.756 34.483 7.110 1.00 0.00 N ATOM 31 CA GLY A 4 -14.139 33.169 7.113 1.00 0.00 C ATOM 32 C GLY A 4 -13.371 32.886 5.837 1.00 0.00 C ATOM 33 O GLY A 4 -13.959 32.523 4.818 1.00 0.00 O ATOM 0 H GLY A 4 -14.871 34.900 6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.464 33.090 7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.910 32.410 7.246 1.00 0.00 H new ATOM 37 N SER A 5 -12.054 33.054 5.892 1.00 0.00 N ATOM 38 CA SER A 5 -11.204 32.820 4.730 1.00 0.00 C ATOM 39 C SER A 5 -10.423 31.518 4.882 1.00 0.00 C ATOM 40 O SER A 5 -9.276 31.519 5.329 1.00 0.00 O ATOM 41 CB SER A 5 -10.237 33.989 4.534 1.00 0.00 C ATOM 42 OG SER A 5 -10.867 35.064 3.860 1.00 0.00 O ATOM 0 H SER A 5 -11.552 33.351 6.729 1.00 0.00 H new ATOM 0 HA SER A 5 -11.845 32.738 3.852 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.870 34.328 5.503 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.370 33.656 3.964 1.00 0.00 H new ATOM 0 HG SER A 5 -10.229 35.799 3.749 1.00 0.00 H new ATOM 48 N SER A 6 -11.053 30.410 4.507 1.00 0.00 N ATOM 49 CA SER A 6 -10.419 29.100 4.605 1.00 0.00 C ATOM 50 C SER A 6 -10.438 28.386 3.257 1.00 0.00 C ATOM 51 O SER A 6 -11.367 27.641 2.949 1.00 0.00 O ATOM 52 CB SER A 6 -11.127 28.245 5.658 1.00 0.00 C ATOM 53 OG SER A 6 -11.061 28.852 6.936 1.00 0.00 O ATOM 0 H SER A 6 -12.002 30.393 4.133 1.00 0.00 H new ATOM 0 HA SER A 6 -9.381 29.247 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.169 28.102 5.374 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.668 27.257 5.697 1.00 0.00 H new ATOM 0 HG SER A 6 -11.522 28.287 7.591 1.00 0.00 H new ATOM 59 N GLY A 7 -9.402 28.619 2.456 1.00 0.00 N ATOM 60 CA GLY A 7 -9.318 27.991 1.150 1.00 0.00 C ATOM 61 C GLY A 7 -7.901 27.960 0.613 1.00 0.00 C ATOM 62 O GLY A 7 -7.505 28.826 -0.166 1.00 0.00 O ATOM 0 H GLY A 7 -8.620 29.231 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.701 26.973 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.957 28.529 0.450 1.00 0.00 H new ATOM 66 N GLY A 8 -7.133 26.958 1.031 1.00 0.00 N ATOM 67 CA GLY A 8 -5.759 26.837 0.577 1.00 0.00 C ATOM 68 C GLY A 8 -5.069 25.611 1.140 1.00 0.00 C ATOM 69 O GLY A 8 -4.292 24.953 0.447 1.00 0.00 O ATOM 0 H GLY A 8 -7.437 26.228 1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.742 26.792 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.204 27.729 0.868 1.00 0.00 H new ATOM 73 N THR A 9 -5.351 25.302 2.402 1.00 0.00 N ATOM 74 CA THR A 9 -4.749 24.148 3.059 1.00 0.00 C ATOM 75 C THR A 9 -5.503 22.867 2.721 1.00 0.00 C ATOM 76 O THR A 9 -5.701 22.007 3.579 1.00 0.00 O ATOM 77 CB THR A 9 -4.721 24.325 4.589 1.00 0.00 C ATOM 78 OG1 THR A 9 -4.208 25.619 4.923 1.00 0.00 O ATOM 79 CG2 THR A 9 -3.864 23.251 5.242 1.00 0.00 C ATOM 0 H THR A 9 -5.992 25.835 2.989 1.00 0.00 H new ATOM 0 HA THR A 9 -3.726 24.072 2.690 1.00 0.00 H new ATOM 0 HB THR A 9 -5.741 24.231 4.962 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.195 25.724 5.897 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.859 23.396 6.322 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.273 22.268 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.844 23.318 4.862 1.00 0.00 H new ATOM 87 N ASP A 10 -5.922 22.747 1.466 1.00 0.00 N ATOM 88 CA ASP A 10 -6.653 21.569 1.014 1.00 0.00 C ATOM 89 C ASP A 10 -5.984 20.950 -0.210 1.00 0.00 C ATOM 90 O ASP A 10 -5.967 21.544 -1.287 1.00 0.00 O ATOM 91 CB ASP A 10 -8.101 21.936 0.687 1.00 0.00 C ATOM 92 CG ASP A 10 -9.014 20.726 0.663 1.00 0.00 C ATOM 93 OD1 ASP A 10 -8.792 19.798 1.470 1.00 0.00 O ATOM 94 OD2 ASP A 10 -9.951 20.706 -0.162 1.00 0.00 O ATOM 0 H ASP A 10 -5.768 23.451 0.744 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.645 20.836 1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.467 22.649 1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.137 22.434 -0.282 1.00 0.00 H new ATOM 99 N GLY A 11 -5.432 19.753 -0.035 1.00 0.00 N ATOM 100 CA GLY A 11 -4.768 19.075 -1.132 1.00 0.00 C ATOM 101 C GLY A 11 -4.512 17.610 -0.839 1.00 0.00 C ATOM 102 O GLY A 11 -4.536 17.187 0.318 1.00 0.00 O ATOM 0 H GLY A 11 -5.433 19.241 0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.378 19.161 -2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.820 19.571 -1.341 1.00 0.00 H new ATOM 106 N THR A 12 -4.268 16.831 -1.888 1.00 0.00 N ATOM 107 CA THR A 12 -4.009 15.405 -1.738 1.00 0.00 C ATOM 108 C THR A 12 -2.614 15.155 -1.175 1.00 0.00 C ATOM 109 O THR A 12 -1.676 14.870 -1.919 1.00 0.00 O ATOM 110 CB THR A 12 -4.149 14.664 -3.081 1.00 0.00 C ATOM 111 OG1 THR A 12 -3.330 15.291 -4.074 1.00 0.00 O ATOM 112 CG2 THR A 12 -5.598 14.653 -3.544 1.00 0.00 C ATOM 0 H THR A 12 -4.244 17.164 -2.852 1.00 0.00 H new ATOM 0 HA THR A 12 -4.753 15.021 -1.040 1.00 0.00 H new ATOM 0 HB THR A 12 -3.822 13.634 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.438 15.459 -3.704 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.672 14.124 -4.494 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.214 14.149 -2.799 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.947 15.678 -3.671 1.00 0.00 H new ATOM 120 N LYS A 13 -2.485 15.264 0.142 1.00 0.00 N ATOM 121 CA LYS A 13 -1.205 15.048 0.806 1.00 0.00 C ATOM 122 C LYS A 13 -0.805 13.577 0.752 1.00 0.00 C ATOM 123 O LYS A 13 -1.649 12.681 0.714 1.00 0.00 O ATOM 124 CB LYS A 13 -1.277 15.515 2.262 1.00 0.00 C ATOM 125 CG LYS A 13 -1.101 17.014 2.429 1.00 0.00 C ATOM 126 CD LYS A 13 0.362 17.417 2.344 1.00 0.00 C ATOM 127 CE LYS A 13 0.576 18.843 2.829 1.00 0.00 C ATOM 128 NZ LYS A 13 0.412 18.958 4.304 1.00 0.00 N ATOM 0 H LYS A 13 -3.252 15.501 0.772 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.449 15.631 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.239 15.222 2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.508 15.001 2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.668 17.536 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.509 17.324 3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.964 16.734 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.706 17.326 1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.575 19.176 2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.133 19.506 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.822 19.857 4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.600 18.931 4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.899 18.166 4.770 1.00 0.00 H new ATOM 142 N PRO A 14 0.511 13.320 0.750 1.00 0.00 N ATOM 143 CA PRO A 14 1.052 11.958 0.704 1.00 0.00 C ATOM 144 C PRO A 14 0.805 11.191 1.998 1.00 0.00 C ATOM 145 O PRO A 14 1.600 11.265 2.935 1.00 0.00 O ATOM 146 CB PRO A 14 2.552 12.179 0.491 1.00 0.00 C ATOM 147 CG PRO A 14 2.818 13.534 1.049 1.00 0.00 C ATOM 148 CD PRO A 14 1.573 14.339 0.794 1.00 0.00 C ATOM 0 HA PRO A 14 0.580 11.359 -0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.141 11.418 1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.814 12.128 -0.566 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.037 13.481 2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.683 13.991 0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.397 15.069 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.637 14.893 -0.143 1.00 0.00 H new ATOM 156 N GLU A 15 -0.302 10.456 2.044 1.00 0.00 N ATOM 157 CA GLU A 15 -0.652 9.676 3.225 1.00 0.00 C ATOM 158 C GLU A 15 -1.340 8.372 2.831 1.00 0.00 C ATOM 159 O GLU A 15 -1.797 8.215 1.699 1.00 0.00 O ATOM 160 CB GLU A 15 -1.564 10.489 4.147 1.00 0.00 C ATOM 161 CG GLU A 15 -3.027 10.455 3.740 1.00 0.00 C ATOM 162 CD GLU A 15 -3.777 11.707 4.154 1.00 0.00 C ATOM 163 OE1 GLU A 15 -3.639 12.738 3.463 1.00 0.00 O ATOM 164 OE2 GLU A 15 -4.501 11.654 5.170 1.00 0.00 O ATOM 0 H GLU A 15 -0.971 10.385 1.278 1.00 0.00 H new ATOM 0 HA GLU A 15 0.268 9.434 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.470 10.109 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.223 11.524 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.097 10.335 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.505 9.584 4.189 1.00 0.00 H new ATOM 171 N CYS A 16 -1.410 7.439 3.775 1.00 0.00 N ATOM 172 CA CYS A 16 -2.040 6.148 3.529 1.00 0.00 C ATOM 173 C CYS A 16 -3.169 5.895 4.525 1.00 0.00 C ATOM 174 O CYS A 16 -3.046 5.060 5.422 1.00 0.00 O ATOM 175 CB CYS A 16 -1.004 5.026 3.619 1.00 0.00 C ATOM 176 SG CYS A 16 -1.370 3.590 2.559 1.00 0.00 S ATOM 0 H CYS A 16 -1.038 7.554 4.718 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.462 6.163 2.524 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.027 5.425 3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.935 4.692 4.654 1.00 0.00 H new ATOM 181 N THR A 17 -4.270 6.622 4.360 1.00 0.00 N ATOM 182 CA THR A 17 -5.420 6.477 5.244 1.00 0.00 C ATOM 183 C THR A 17 -5.663 5.014 5.596 1.00 0.00 C ATOM 184 O THR A 17 -6.201 4.702 6.659 1.00 0.00 O ATOM 185 CB THR A 17 -6.695 7.059 4.605 1.00 0.00 C ATOM 186 OG1 THR A 17 -7.811 6.875 5.484 1.00 0.00 O ATOM 187 CG2 THR A 17 -6.982 6.393 3.268 1.00 0.00 C ATOM 0 H THR A 17 -4.389 7.317 3.623 1.00 0.00 H new ATOM 0 HA THR A 17 -5.192 7.032 6.154 1.00 0.00 H new ATOM 0 HB THR A 17 -6.537 8.124 4.436 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.617 7.249 5.071 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.887 6.820 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.143 6.559 2.592 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.122 5.322 3.417 1.00 0.00 H new ATOM 195 N LEU A 18 -5.262 4.120 4.699 1.00 0.00 N ATOM 196 CA LEU A 18 -5.435 2.688 4.915 1.00 0.00 C ATOM 197 C LEU A 18 -4.504 2.187 6.014 1.00 0.00 C ATOM 198 O LEU A 18 -4.922 1.455 6.912 1.00 0.00 O ATOM 199 CB LEU A 18 -5.172 1.921 3.619 1.00 0.00 C ATOM 200 CG LEU A 18 -4.872 0.429 3.770 1.00 0.00 C ATOM 201 CD1 LEU A 18 -6.154 -0.350 4.018 1.00 0.00 C ATOM 202 CD2 LEU A 18 -4.154 -0.099 2.537 1.00 0.00 C ATOM 0 H LEU A 18 -4.815 4.362 3.815 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.464 2.515 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.042 2.032 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.332 2.390 3.107 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.217 0.295 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.921 -1.410 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.627 0.010 4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.834 -0.209 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.949 -1.162 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.783 0.048 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.215 0.439 2.405 1.00 0.00 H new ATOM 214 N CYS A 19 -3.239 2.588 5.940 1.00 0.00 N ATOM 215 CA CYS A 19 -2.248 2.182 6.928 1.00 0.00 C ATOM 216 C CYS A 19 -1.982 3.305 7.926 1.00 0.00 C ATOM 217 O CYS A 19 -1.114 3.190 8.790 1.00 0.00 O ATOM 218 CB CYS A 19 -0.943 1.779 6.238 1.00 0.00 C ATOM 219 SG CYS A 19 -1.176 0.777 4.734 1.00 0.00 S ATOM 0 H CYS A 19 -2.876 3.195 5.205 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.644 1.324 7.470 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.388 2.681 5.979 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.329 1.219 6.944 1.00 0.00 H new ATOM 224 N GLY A 20 -2.738 4.392 7.800 1.00 0.00 N ATOM 225 CA GLY A 20 -2.569 5.521 8.696 1.00 0.00 C ATOM 226 C GLY A 20 -1.144 6.036 8.718 1.00 0.00 C ATOM 227 O GLY A 20 -0.727 6.691 9.674 1.00 0.00 O ATOM 0 H GLY A 20 -3.464 4.511 7.094 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.238 6.326 8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.862 5.228 9.704 1.00 0.00 H new ATOM 231 N VAL A 21 -0.392 5.739 7.663 1.00 0.00 N ATOM 232 CA VAL A 21 0.995 6.176 7.565 1.00 0.00 C ATOM 233 C VAL A 21 1.129 7.374 6.632 1.00 0.00 C ATOM 234 O VAL A 21 0.808 7.291 5.446 1.00 0.00 O ATOM 235 CB VAL A 21 1.907 5.042 7.061 1.00 0.00 C ATOM 236 CG1 VAL A 21 3.363 5.482 7.071 1.00 0.00 C ATOM 237 CG2 VAL A 21 1.713 3.790 7.902 1.00 0.00 C ATOM 0 H VAL A 21 -0.721 5.197 6.864 1.00 0.00 H new ATOM 0 HA VAL A 21 1.308 6.464 8.569 1.00 0.00 H new ATOM 0 HB VAL A 21 1.632 4.807 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.992 4.667 6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.486 6.349 6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.656 5.746 8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.365 2.999 7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.960 4.008 8.941 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.675 3.465 7.836 1.00 0.00 H new ATOM 247 N LYS A 22 1.606 8.490 7.175 1.00 0.00 N ATOM 248 CA LYS A 22 1.786 9.706 6.391 1.00 0.00 C ATOM 249 C LYS A 22 3.214 9.809 5.866 1.00 0.00 C ATOM 250 O LYS A 22 4.132 10.169 6.603 1.00 0.00 O ATOM 251 CB LYS A 22 1.453 10.936 7.239 1.00 0.00 C ATOM 252 CG LYS A 22 1.898 12.246 6.611 1.00 0.00 C ATOM 253 CD LYS A 22 0.943 12.693 5.517 1.00 0.00 C ATOM 254 CE LYS A 22 -0.225 13.484 6.085 1.00 0.00 C ATOM 255 NZ LYS A 22 -1.370 12.603 6.442 1.00 0.00 N ATOM 0 H LYS A 22 1.875 8.577 8.155 1.00 0.00 H new ATOM 0 HA LYS A 22 1.107 9.664 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.377 10.970 7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.925 10.832 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.959 13.017 7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.899 12.130 6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.480 13.305 4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.567 11.821 4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.102 14.030 6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.551 14.225 5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.194 12.850 5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.110 11.610 6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.608 12.732 7.446 1.00 0.00 H new ATOM 269 N TYR A 23 3.393 9.494 4.588 1.00 0.00 N ATOM 270 CA TYR A 23 4.710 9.550 3.964 1.00 0.00 C ATOM 271 C TYR A 23 5.361 10.912 4.188 1.00 0.00 C ATOM 272 O TYR A 23 4.684 11.894 4.491 1.00 0.00 O ATOM 273 CB TYR A 23 4.600 9.266 2.466 1.00 0.00 C ATOM 274 CG TYR A 23 3.517 8.270 2.116 1.00 0.00 C ATOM 275 CD1 TYR A 23 3.377 7.087 2.831 1.00 0.00 C ATOM 276 CD2 TYR A 23 2.634 8.512 1.071 1.00 0.00 C ATOM 277 CE1 TYR A 23 2.389 6.174 2.515 1.00 0.00 C ATOM 278 CE2 TYR A 23 1.643 7.606 0.749 1.00 0.00 C ATOM 279 CZ TYR A 23 1.524 6.438 1.473 1.00 0.00 C ATOM 280 OH TYR A 23 0.539 5.532 1.155 1.00 0.00 O ATOM 0 H TYR A 23 2.643 9.197 3.964 1.00 0.00 H new ATOM 0 HA TYR A 23 5.336 8.787 4.427 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.405 10.201 1.941 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.557 8.891 2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.052 6.877 3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.724 9.425 0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.294 5.259 3.081 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.964 7.811 -0.066 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.234 6.006 0.782 1.00 0.00 H new ATOM 290 N SER A 24 6.680 10.962 4.037 1.00 0.00 N ATOM 291 CA SER A 24 7.425 12.201 4.225 1.00 0.00 C ATOM 292 C SER A 24 7.534 12.974 2.914 1.00 0.00 C ATOM 293 O SER A 24 7.469 12.394 1.831 1.00 0.00 O ATOM 294 CB SER A 24 8.823 11.903 4.772 1.00 0.00 C ATOM 295 OG SER A 24 9.487 10.937 3.975 1.00 0.00 O ATOM 0 H SER A 24 7.255 10.158 3.785 1.00 0.00 H new ATOM 0 HA SER A 24 6.884 12.815 4.945 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.409 12.821 4.800 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.746 11.542 5.798 1.00 0.00 H new ATOM 0 HG SER A 24 10.378 10.765 4.344 1.00 0.00 H new ATOM 301 N ALA A 25 7.700 14.288 3.022 1.00 0.00 N ATOM 302 CA ALA A 25 7.820 15.142 1.847 1.00 0.00 C ATOM 303 C ALA A 25 8.638 14.462 0.755 1.00 0.00 C ATOM 304 O ALA A 25 8.474 14.753 -0.430 1.00 0.00 O ATOM 305 CB ALA A 25 8.446 16.476 2.225 1.00 0.00 C ATOM 0 H ALA A 25 7.754 14.784 3.911 1.00 0.00 H new ATOM 0 HA ALA A 25 6.819 15.321 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.529 17.103 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.820 16.975 2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.438 16.307 2.644 1.00 0.00 H new ATOM 311 N ARG A 26 9.521 13.555 1.162 1.00 0.00 N ATOM 312 CA ARG A 26 10.367 12.834 0.218 1.00 0.00 C ATOM 313 C ARG A 26 9.701 11.535 -0.227 1.00 0.00 C ATOM 314 O ARG A 26 9.417 11.344 -1.410 1.00 0.00 O ATOM 315 CB ARG A 26 11.728 12.533 0.847 1.00 0.00 C ATOM 316 CG ARG A 26 12.629 11.679 -0.030 1.00 0.00 C ATOM 317 CD ARG A 26 13.492 12.536 -0.943 1.00 0.00 C ATOM 318 NE ARG A 26 12.739 13.048 -2.085 1.00 0.00 N ATOM 319 CZ ARG A 26 13.308 13.497 -3.198 1.00 0.00 C ATOM 320 NH1 ARG A 26 14.628 13.497 -3.319 1.00 0.00 N ATOM 321 NH2 ARG A 26 12.556 13.947 -4.194 1.00 0.00 N ATOM 0 H ARG A 26 9.669 13.302 2.139 1.00 0.00 H new ATOM 0 HA ARG A 26 10.512 13.466 -0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.234 13.474 1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.574 12.025 1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.267 11.058 0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.020 11.004 -0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.902 13.371 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.337 11.948 -1.300 1.00 0.00 H new ATOM 0 HE ARG A 26 11.721 13.061 -2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.210 13.151 -2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.062 13.843 -4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.540 13.948 -4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.994 14.292 -5.048 1.00 0.00 H new ATOM 335 N LEU A 27 9.456 10.645 0.728 1.00 0.00 N ATOM 336 CA LEU A 27 8.824 9.363 0.436 1.00 0.00 C ATOM 337 C LEU A 27 7.707 9.528 -0.590 1.00 0.00 C ATOM 338 O LEU A 27 7.133 10.609 -0.729 1.00 0.00 O ATOM 339 CB LEU A 27 8.267 8.742 1.718 1.00 0.00 C ATOM 340 CG LEU A 27 7.696 7.330 1.587 1.00 0.00 C ATOM 341 CD1 LEU A 27 8.750 6.376 1.045 1.00 0.00 C ATOM 342 CD2 LEU A 27 7.170 6.841 2.928 1.00 0.00 C ATOM 0 H LEU A 27 9.685 10.787 1.712 1.00 0.00 H new ATOM 0 HA LEU A 27 9.581 8.700 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.062 8.723 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.484 9.395 2.103 1.00 0.00 H new ATOM 0 HG LEU A 27 6.865 7.359 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.325 5.376 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.079 6.717 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.602 6.351 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.767 5.834 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.982 6.828 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.383 7.510 3.276 1.00 0.00 H new ATOM 354 N SER A 28 7.401 8.449 -1.303 1.00 0.00 N ATOM 355 CA SER A 28 6.353 8.475 -2.317 1.00 0.00 C ATOM 356 C SER A 28 5.358 7.339 -2.099 1.00 0.00 C ATOM 357 O SER A 28 5.684 6.324 -1.482 1.00 0.00 O ATOM 358 CB SER A 28 6.965 8.371 -3.716 1.00 0.00 C ATOM 359 OG SER A 28 7.539 9.603 -4.114 1.00 0.00 O ATOM 0 H SER A 28 7.864 7.546 -1.197 1.00 0.00 H new ATOM 0 HA SER A 28 5.821 9.422 -2.230 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.727 7.591 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.197 8.076 -4.431 1.00 0.00 H new ATOM 0 HG SER A 28 7.925 9.510 -5.010 1.00 0.00 H new ATOM 365 N ILE A 29 4.145 7.518 -2.608 1.00 0.00 N ATOM 366 CA ILE A 29 3.102 6.509 -2.471 1.00 0.00 C ATOM 367 C ILE A 29 3.621 5.127 -2.852 1.00 0.00 C ATOM 368 O ILE A 29 3.273 4.127 -2.225 1.00 0.00 O ATOM 369 CB ILE A 29 1.876 6.843 -3.341 1.00 0.00 C ATOM 370 CG1 ILE A 29 0.882 5.680 -3.328 1.00 0.00 C ATOM 371 CG2 ILE A 29 2.309 7.161 -4.765 1.00 0.00 C ATOM 372 CD1 ILE A 29 0.279 5.417 -1.966 1.00 0.00 C ATOM 0 H ILE A 29 3.859 8.353 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 29 2.802 6.506 -1.423 1.00 0.00 H new ATOM 0 HB ILE A 29 1.383 7.722 -2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.081 5.889 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.386 4.778 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.432 7.395 -5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.983 8.017 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.822 6.299 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.416 4.580 -2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.072 5.176 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.254 6.305 -1.626 1.00 0.00 H new ATOM 384 N ARG A 30 4.458 5.079 -3.884 1.00 0.00 N ATOM 385 CA ARG A 30 5.026 3.820 -4.349 1.00 0.00 C ATOM 386 C ARG A 30 5.961 3.225 -3.300 1.00 0.00 C ATOM 387 O ARG A 30 5.697 2.152 -2.756 1.00 0.00 O ATOM 388 CB ARG A 30 5.783 4.031 -5.661 1.00 0.00 C ATOM 389 CG ARG A 30 4.914 3.872 -6.898 1.00 0.00 C ATOM 390 CD ARG A 30 3.912 5.009 -7.025 1.00 0.00 C ATOM 391 NE ARG A 30 3.517 5.238 -8.412 1.00 0.00 N ATOM 392 CZ ARG A 30 2.946 6.359 -8.838 1.00 0.00 C ATOM 393 NH1 ARG A 30 2.704 7.348 -7.989 1.00 0.00 N ATOM 394 NH2 ARG A 30 2.615 6.492 -10.116 1.00 0.00 N ATOM 0 H ARG A 30 4.757 5.898 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 30 4.207 3.122 -4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.221 5.029 -5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.608 3.320 -5.713 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.545 3.841 -7.786 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.383 2.921 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.028 4.781 -6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.346 5.922 -6.616 1.00 0.00 H new ATOM 0 HE ARG A 30 3.689 4.496 -9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.956 7.249 -7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.265 8.208 -8.319 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.799 5.733 -10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.177 7.353 -10.442 1.00 0.00 H new ATOM 408 N ASP A 31 7.053 3.927 -3.022 1.00 0.00 N ATOM 409 CA ASP A 31 8.028 3.470 -2.038 1.00 0.00 C ATOM 410 C ASP A 31 7.331 2.846 -0.833 1.00 0.00 C ATOM 411 O ASP A 31 7.849 1.913 -0.217 1.00 0.00 O ATOM 412 CB ASP A 31 8.912 4.632 -1.586 1.00 0.00 C ATOM 413 CG ASP A 31 9.907 5.051 -2.650 1.00 0.00 C ATOM 414 OD1 ASP A 31 10.235 4.215 -3.518 1.00 0.00 O ATOM 415 OD2 ASP A 31 10.357 6.215 -2.616 1.00 0.00 O ATOM 0 H ASP A 31 7.286 4.816 -3.464 1.00 0.00 H new ATOM 0 HA ASP A 31 8.653 2.711 -2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.283 5.483 -1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.450 4.345 -0.682 1.00 0.00 H new ATOM 420 N HIS A 32 6.154 3.366 -0.502 1.00 0.00 N ATOM 421 CA HIS A 32 5.386 2.860 0.631 1.00 0.00 C ATOM 422 C HIS A 32 4.763 1.507 0.303 1.00 0.00 C ATOM 423 O HIS A 32 5.169 0.478 0.845 1.00 0.00 O ATOM 424 CB HIS A 32 4.293 3.857 1.019 1.00 0.00 C ATOM 425 CG HIS A 32 3.387 3.360 2.103 1.00 0.00 C ATOM 426 ND1 HIS A 32 3.817 3.110 3.389 1.00 0.00 N ATOM 427 CD2 HIS A 32 2.065 3.068 2.087 1.00 0.00 C ATOM 428 CE1 HIS A 32 2.800 2.684 4.116 1.00 0.00 C ATOM 429 NE2 HIS A 32 1.725 2.650 3.350 1.00 0.00 N ATOM 0 H HIS A 32 5.711 4.137 -1.001 1.00 0.00 H new ATOM 0 HA HIS A 32 6.067 2.733 1.473 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.760 4.787 1.345 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.697 4.091 0.137 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.772 3.235 3.726 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.401 3.149 1.239 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.841 2.410 5.160 1.00 0.00 H new ATOM 437 N ILE A 33 3.774 1.515 -0.585 1.00 0.00 N ATOM 438 CA ILE A 33 3.096 0.288 -0.984 1.00 0.00 C ATOM 439 C ILE A 33 4.099 -0.804 -1.339 1.00 0.00 C ATOM 440 O ILE A 33 3.767 -1.989 -1.346 1.00 0.00 O ATOM 441 CB ILE A 33 2.165 0.526 -2.188 1.00 0.00 C ATOM 442 CG1 ILE A 33 2.969 1.019 -3.393 1.00 0.00 C ATOM 443 CG2 ILE A 33 1.076 1.525 -1.826 1.00 0.00 C ATOM 444 CD1 ILE A 33 2.109 1.400 -4.578 1.00 0.00 C ATOM 0 H ILE A 33 3.425 2.358 -1.042 1.00 0.00 H new ATOM 0 HA ILE A 33 2.499 -0.035 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 33 1.691 -0.419 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.564 1.882 -3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.668 0.240 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.426 1.683 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.488 1.137 -0.994 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.532 2.472 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.745 1.740 -5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.533 0.534 -4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.428 2.201 -4.291 1.00 0.00 H new ATOM 456 N PHE A 34 5.330 -0.396 -1.633 1.00 0.00 N ATOM 457 CA PHE A 34 6.383 -1.340 -1.989 1.00 0.00 C ATOM 458 C PHE A 34 7.184 -1.751 -0.756 1.00 0.00 C ATOM 459 O PHE A 34 8.378 -2.036 -0.846 1.00 0.00 O ATOM 460 CB PHE A 34 7.315 -0.726 -3.035 1.00 0.00 C ATOM 461 CG PHE A 34 6.856 -0.946 -4.449 1.00 0.00 C ATOM 462 CD1 PHE A 34 7.233 -2.083 -5.145 1.00 0.00 C ATOM 463 CD2 PHE A 34 6.048 -0.015 -5.081 1.00 0.00 C ATOM 464 CE1 PHE A 34 6.812 -2.287 -6.445 1.00 0.00 C ATOM 465 CE2 PHE A 34 5.624 -0.213 -6.382 1.00 0.00 C ATOM 466 CZ PHE A 34 6.006 -1.351 -7.064 1.00 0.00 C ATOM 0 H PHE A 34 5.622 0.581 -1.632 1.00 0.00 H new ATOM 0 HA PHE A 34 5.913 -2.229 -2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.399 0.345 -2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.312 -1.149 -2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.863 -2.818 -4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.746 0.876 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.113 -3.177 -6.977 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.995 0.521 -6.864 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.675 -1.509 -8.080 1.00 0.00 H new ATOM 476 N SER A 35 6.517 -1.778 0.393 1.00 0.00 N ATOM 477 CA SER A 35 7.167 -2.149 1.645 1.00 0.00 C ATOM 478 C SER A 35 6.263 -3.050 2.480 1.00 0.00 C ATOM 479 O SER A 35 5.090 -2.745 2.696 1.00 0.00 O ATOM 480 CB SER A 35 7.536 -0.897 2.443 1.00 0.00 C ATOM 481 OG SER A 35 8.685 -0.269 1.903 1.00 0.00 O ATOM 0 H SER A 35 5.527 -1.548 0.483 1.00 0.00 H new ATOM 0 HA SER A 35 8.077 -2.699 1.404 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.699 -0.198 2.437 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.720 -1.166 3.483 1.00 0.00 H new ATOM 0 HG SER A 35 8.411 0.415 1.257 1.00 0.00 H new ATOM 487 N LYS A 36 6.817 -4.164 2.948 1.00 0.00 N ATOM 488 CA LYS A 36 6.063 -5.111 3.761 1.00 0.00 C ATOM 489 C LYS A 36 5.078 -4.384 4.670 1.00 0.00 C ATOM 490 O LYS A 36 3.890 -4.706 4.695 1.00 0.00 O ATOM 491 CB LYS A 36 7.016 -5.964 4.601 1.00 0.00 C ATOM 492 CG LYS A 36 6.462 -7.336 4.944 1.00 0.00 C ATOM 493 CD LYS A 36 6.987 -7.831 6.281 1.00 0.00 C ATOM 494 CE LYS A 36 6.077 -7.415 7.426 1.00 0.00 C ATOM 495 NZ LYS A 36 4.896 -8.314 7.552 1.00 0.00 N ATOM 0 H LYS A 36 7.786 -4.433 2.778 1.00 0.00 H new ATOM 0 HA LYS A 36 5.499 -5.760 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.954 -6.085 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.247 -5.433 5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.373 -7.293 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.732 -8.045 4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.073 -8.917 6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.989 -7.435 6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.641 -7.423 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.739 -6.391 7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.301 -7.997 8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.344 -8.287 6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.218 -9.287 7.729 1.00 0.00 H new ATOM 509 N GLN A 37 5.579 -3.403 5.414 1.00 0.00 N ATOM 510 CA GLN A 37 4.741 -2.631 6.323 1.00 0.00 C ATOM 511 C GLN A 37 3.359 -2.394 5.723 1.00 0.00 C ATOM 512 O GLN A 37 2.341 -2.572 6.393 1.00 0.00 O ATOM 513 CB GLN A 37 5.405 -1.292 6.649 1.00 0.00 C ATOM 514 CG GLN A 37 6.482 -1.390 7.717 1.00 0.00 C ATOM 515 CD GLN A 37 5.908 -1.505 9.116 1.00 0.00 C ATOM 516 OE1 GLN A 37 5.908 -2.582 9.712 1.00 0.00 O ATOM 517 NE2 GLN A 37 5.415 -0.392 9.647 1.00 0.00 N ATOM 0 H GLN A 37 6.560 -3.124 5.405 1.00 0.00 H new ATOM 0 HA GLN A 37 4.623 -3.204 7.243 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.844 -0.883 5.739 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.641 -0.588 6.979 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.112 -2.256 7.514 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.123 -0.510 7.663 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.436 0.479 9.116 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.016 -0.408 10.585 1.00 0.00 H new ATOM 526 N HIS A 38 3.331 -1.993 4.456 1.00 0.00 N ATOM 527 CA HIS A 38 2.073 -1.732 3.765 1.00 0.00 C ATOM 528 C HIS A 38 1.394 -3.037 3.362 1.00 0.00 C ATOM 529 O HIS A 38 0.275 -3.324 3.789 1.00 0.00 O ATOM 530 CB HIS A 38 2.316 -0.867 2.528 1.00 0.00 C ATOM 531 CG HIS A 38 1.088 -0.649 1.698 1.00 0.00 C ATOM 532 ND1 HIS A 38 0.368 0.527 1.714 1.00 0.00 N ATOM 533 CD2 HIS A 38 0.455 -1.465 0.823 1.00 0.00 C ATOM 534 CE1 HIS A 38 -0.656 0.424 0.886 1.00 0.00 C ATOM 535 NE2 HIS A 38 -0.626 -0.775 0.332 1.00 0.00 N ATOM 0 H HIS A 38 4.164 -1.842 3.887 1.00 0.00 H new ATOM 0 HA HIS A 38 1.415 -1.197 4.450 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.708 0.100 2.843 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.082 -1.337 1.911 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.746 -2.471 0.560 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.393 1.190 0.694 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.297 -1.130 -0.349 1.00 0.00 H new ATOM 543 N ILE A 39 2.077 -3.824 2.537 1.00 0.00 N ATOM 544 CA ILE A 39 1.539 -5.098 2.077 1.00 0.00 C ATOM 545 C ILE A 39 0.777 -5.808 3.191 1.00 0.00 C ATOM 546 O ILE A 39 -0.344 -6.274 2.991 1.00 0.00 O ATOM 547 CB ILE A 39 2.655 -6.027 1.561 1.00 0.00 C ATOM 548 CG1 ILE A 39 3.292 -5.442 0.300 1.00 0.00 C ATOM 549 CG2 ILE A 39 2.101 -7.417 1.286 1.00 0.00 C ATOM 550 CD1 ILE A 39 4.413 -4.467 0.586 1.00 0.00 C ATOM 0 H ILE A 39 3.004 -3.602 2.174 1.00 0.00 H new ATOM 0 HA ILE A 39 0.855 -4.874 1.258 1.00 0.00 H new ATOM 0 HB ILE A 39 3.424 -6.109 2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.677 -6.256 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.523 -4.938 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.901 -8.062 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.689 -7.833 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.315 -7.353 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.818 -4.092 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.029 -3.633 1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.201 -4.972 1.145 1.00 0.00 H new ATOM 562 N SER A 40 1.394 -5.885 4.366 1.00 0.00 N ATOM 563 CA SER A 40 0.775 -6.539 5.513 1.00 0.00 C ATOM 564 C SER A 40 -0.657 -6.051 5.709 1.00 0.00 C ATOM 565 O SER A 40 -1.585 -6.850 5.841 1.00 0.00 O ATOM 566 CB SER A 40 1.593 -6.277 6.779 1.00 0.00 C ATOM 567 OG SER A 40 0.969 -6.849 7.916 1.00 0.00 O ATOM 0 H SER A 40 2.322 -5.503 4.549 1.00 0.00 H new ATOM 0 HA SER A 40 0.752 -7.611 5.320 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.594 -6.693 6.662 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.709 -5.203 6.925 1.00 0.00 H new ATOM 0 HG SER A 40 1.512 -6.669 8.712 1.00 0.00 H new ATOM 573 N LYS A 41 -0.830 -4.734 5.727 1.00 0.00 N ATOM 574 CA LYS A 41 -2.148 -4.137 5.906 1.00 0.00 C ATOM 575 C LYS A 41 -3.092 -4.558 4.784 1.00 0.00 C ATOM 576 O LYS A 41 -4.268 -4.835 5.021 1.00 0.00 O ATOM 577 CB LYS A 41 -2.037 -2.611 5.948 1.00 0.00 C ATOM 578 CG LYS A 41 -3.158 -1.942 6.724 1.00 0.00 C ATOM 579 CD LYS A 41 -2.850 -1.884 8.211 1.00 0.00 C ATOM 580 CE LYS A 41 -4.081 -1.512 9.022 1.00 0.00 C ATOM 581 NZ LYS A 41 -3.971 -1.961 10.437 1.00 0.00 N ATOM 0 H LYS A 41 -0.073 -4.059 5.620 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.556 -4.492 6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.082 -2.337 6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.033 -2.227 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.312 -0.932 6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.088 -2.488 6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.473 -2.851 8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.060 -1.155 8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.221 -0.431 8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.964 -1.960 8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.830 -1.688 10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.863 -2.995 10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.143 -1.514 10.880 1.00 0.00 H new ATOM 595 N VAL A 42 -2.569 -4.605 3.563 1.00 0.00 N ATOM 596 CA VAL A 42 -3.365 -4.995 2.405 1.00 0.00 C ATOM 597 C VAL A 42 -3.856 -6.433 2.535 1.00 0.00 C ATOM 598 O VAL A 42 -5.039 -6.715 2.349 1.00 0.00 O ATOM 599 CB VAL A 42 -2.562 -4.854 1.099 1.00 0.00 C ATOM 600 CG1 VAL A 42 -3.414 -5.253 -0.097 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.044 -3.432 0.944 1.00 0.00 C ATOM 0 H VAL A 42 -1.598 -4.378 3.350 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.223 -4.323 2.369 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.705 -5.526 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.830 -5.147 -1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.732 -6.290 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.291 -4.608 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.479 -3.350 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.885 -2.739 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.397 -3.187 1.786 1.00 0.00 H new ATOM 611 N ARG A 43 -2.937 -7.339 2.854 1.00 0.00 N ATOM 612 CA ARG A 43 -3.276 -8.749 3.008 1.00 0.00 C ATOM 613 C ARG A 43 -4.370 -8.934 4.055 1.00 0.00 C ATOM 614 O ARG A 43 -5.362 -9.622 3.814 1.00 0.00 O ATOM 615 CB ARG A 43 -2.036 -9.553 3.404 1.00 0.00 C ATOM 616 CG ARG A 43 -0.991 -9.641 2.303 1.00 0.00 C ATOM 617 CD ARG A 43 -0.115 -10.873 2.465 1.00 0.00 C ATOM 618 NE ARG A 43 -0.787 -12.087 2.008 1.00 0.00 N ATOM 619 CZ ARG A 43 -0.447 -13.308 2.403 1.00 0.00 C ATOM 620 NH1 ARG A 43 0.551 -13.478 3.259 1.00 0.00 N ATOM 621 NH2 ARG A 43 -1.108 -14.364 1.943 1.00 0.00 N ATOM 0 H ARG A 43 -1.953 -7.122 3.011 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.648 -9.114 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.585 -9.099 4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.341 -10.561 3.685 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.485 -9.670 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.369 -8.746 2.318 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.809 -10.737 1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.163 -10.985 3.513 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.560 -11.991 1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.060 -12.669 3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.810 -14.417 3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.878 -14.237 1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.846 -15.302 2.247 1.00 0.00 H new ATOM 635 N GLU A 44 -4.182 -8.317 5.217 1.00 0.00 N ATOM 636 CA GLU A 44 -5.153 -8.415 6.300 1.00 0.00 C ATOM 637 C GLU A 44 -6.508 -7.864 5.867 1.00 0.00 C ATOM 638 O GLU A 44 -7.519 -8.566 5.907 1.00 0.00 O ATOM 639 CB GLU A 44 -4.653 -7.660 7.533 1.00 0.00 C ATOM 640 CG GLU A 44 -3.566 -8.396 8.298 1.00 0.00 C ATOM 641 CD GLU A 44 -4.103 -9.576 9.086 1.00 0.00 C ATOM 642 OE1 GLU A 44 -4.778 -10.434 8.480 1.00 0.00 O ATOM 643 OE2 GLU A 44 -3.848 -9.640 10.306 1.00 0.00 O ATOM 0 H GLU A 44 -3.366 -7.744 5.433 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.273 -9.469 6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.272 -6.687 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.494 -7.475 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.808 -8.747 7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.074 -7.702 8.980 1.00 0.00 H new ATOM 650 N THR A 45 -6.522 -6.600 5.454 1.00 0.00 N ATOM 651 CA THR A 45 -7.752 -5.953 5.016 1.00 0.00 C ATOM 652 C THR A 45 -8.567 -6.873 4.115 1.00 0.00 C ATOM 653 O THR A 45 -9.756 -7.094 4.347 1.00 0.00 O ATOM 654 CB THR A 45 -7.459 -4.642 4.262 1.00 0.00 C ATOM 655 OG1 THR A 45 -6.474 -4.870 3.248 1.00 0.00 O ATOM 656 CG2 THR A 45 -6.970 -3.565 5.218 1.00 0.00 C ATOM 0 H THR A 45 -5.695 -6.004 5.414 1.00 0.00 H new ATOM 0 HA THR A 45 -8.327 -5.727 5.914 1.00 0.00 H new ATOM 0 HB THR A 45 -8.385 -4.301 3.799 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.989 -5.699 3.443 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.770 -2.649 4.662 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.734 -3.373 5.971 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.055 -3.900 5.707 1.00 0.00 H new ATOM 664 N VAL A 46 -7.920 -7.410 3.085 1.00 0.00 N ATOM 665 CA VAL A 46 -8.585 -8.308 2.149 1.00 0.00 C ATOM 666 C VAL A 46 -7.840 -9.634 2.036 1.00 0.00 C ATOM 667 O VAL A 46 -6.646 -9.664 1.740 1.00 0.00 O ATOM 668 CB VAL A 46 -8.700 -7.676 0.749 1.00 0.00 C ATOM 669 CG1 VAL A 46 -7.323 -7.511 0.123 1.00 0.00 C ATOM 670 CG2 VAL A 46 -9.602 -8.516 -0.142 1.00 0.00 C ATOM 0 H VAL A 46 -6.936 -7.238 2.878 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.586 -8.489 2.541 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.147 -6.687 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.424 -7.063 -0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.712 -6.865 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.845 -8.487 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.672 -8.055 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.186 -9.519 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.596 -8.578 0.301 1.00 0.00 H new ATOM 680 N GLY A 47 -8.553 -10.730 2.275 1.00 0.00 N ATOM 681 CA GLY A 47 -7.943 -12.044 2.195 1.00 0.00 C ATOM 682 C GLY A 47 -8.969 -13.152 2.061 1.00 0.00 C ATOM 683 O GLY A 47 -9.672 -13.477 3.018 1.00 0.00 O ATOM 0 H GLY A 47 -9.542 -10.731 2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.265 -12.075 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.341 -12.217 3.087 1.00 0.00 H new ATOM 687 N SER A 48 -9.056 -13.734 0.868 1.00 0.00 N ATOM 688 CA SER A 48 -10.008 -14.808 0.610 1.00 0.00 C ATOM 689 C SER A 48 -9.553 -16.107 1.269 1.00 0.00 C ATOM 690 O SER A 48 -8.578 -16.724 0.839 1.00 0.00 O ATOM 691 CB SER A 48 -10.175 -15.018 -0.896 1.00 0.00 C ATOM 692 OG SER A 48 -11.195 -15.964 -1.169 1.00 0.00 O ATOM 0 H SER A 48 -8.479 -13.480 0.066 1.00 0.00 H new ATOM 0 HA SER A 48 -10.968 -14.521 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.417 -14.069 -1.374 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.233 -15.360 -1.325 1.00 0.00 H new ATOM 0 HG SER A 48 -11.283 -16.079 -2.138 1.00 0.00 H new ATOM 698 N GLN A 49 -10.265 -16.514 2.314 1.00 0.00 N ATOM 699 CA GLN A 49 -9.935 -17.739 3.033 1.00 0.00 C ATOM 700 C GLN A 49 -10.531 -18.957 2.336 1.00 0.00 C ATOM 701 O GLN A 49 -11.672 -19.339 2.598 1.00 0.00 O ATOM 702 CB GLN A 49 -10.442 -17.662 4.474 1.00 0.00 C ATOM 703 CG GLN A 49 -9.647 -18.520 5.445 1.00 0.00 C ATOM 704 CD GLN A 49 -8.301 -17.914 5.792 1.00 0.00 C ATOM 705 OE1 GLN A 49 -8.224 -16.900 6.487 1.00 0.00 O ATOM 706 NE2 GLN A 49 -7.230 -18.533 5.308 1.00 0.00 N ATOM 0 H GLN A 49 -11.074 -16.014 2.682 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.850 -17.844 3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.409 -16.625 4.807 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.487 -17.972 4.500 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.225 -18.659 6.359 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.495 -19.508 5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.340 -19.371 4.736 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.298 -18.171 5.508 1.00 0.00 H new ATOM 715 N LEU A 50 -9.752 -19.564 1.447 1.00 0.00 N ATOM 716 CA LEU A 50 -10.203 -20.740 0.711 1.00 0.00 C ATOM 717 C LEU A 50 -9.343 -21.955 1.045 1.00 0.00 C ATOM 718 O LEU A 50 -9.858 -23.051 1.266 1.00 0.00 O ATOM 719 CB LEU A 50 -10.163 -20.471 -0.794 1.00 0.00 C ATOM 720 CG LEU A 50 -11.175 -19.453 -1.321 1.00 0.00 C ATOM 721 CD1 LEU A 50 -10.830 -19.045 -2.745 1.00 0.00 C ATOM 722 CD2 LEU A 50 -12.586 -20.019 -1.254 1.00 0.00 C ATOM 0 H LEU A 50 -8.805 -19.261 1.219 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.230 -20.952 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.162 -20.127 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.322 -21.415 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.131 -18.566 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.561 -18.320 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.836 -18.598 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.845 -19.924 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.293 -19.281 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.645 -20.923 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.833 -20.260 -0.220 1.00 0.00 H new ATOM 734 N ASP A 51 -8.031 -21.751 1.082 1.00 0.00 N ATOM 735 CA ASP A 51 -7.098 -22.829 1.393 1.00 0.00 C ATOM 736 C ASP A 51 -7.698 -23.788 2.417 1.00 0.00 C ATOM 737 O ASP A 51 -7.978 -23.404 3.552 1.00 0.00 O ATOM 738 CB ASP A 51 -5.782 -22.256 1.921 1.00 0.00 C ATOM 739 CG ASP A 51 -4.594 -23.138 1.591 1.00 0.00 C ATOM 740 OD1 ASP A 51 -4.791 -24.358 1.413 1.00 0.00 O ATOM 741 OD2 ASP A 51 -3.466 -22.607 1.510 1.00 0.00 O ATOM 0 H ASP A 51 -7.589 -20.850 0.901 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.901 -23.383 0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.624 -21.265 1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.850 -22.133 3.002 1.00 0.00 H new ATOM 746 N ARG A 52 -7.894 -25.037 2.006 1.00 0.00 N ATOM 747 CA ARG A 52 -8.462 -26.050 2.887 1.00 0.00 C ATOM 748 C ARG A 52 -7.687 -26.126 4.199 1.00 0.00 C ATOM 749 O ARG A 52 -6.468 -25.964 4.221 1.00 0.00 O ATOM 750 CB ARG A 52 -8.456 -27.416 2.198 1.00 0.00 C ATOM 751 CG ARG A 52 -9.437 -28.407 2.803 1.00 0.00 C ATOM 752 CD ARG A 52 -9.565 -29.657 1.947 1.00 0.00 C ATOM 753 NE ARG A 52 -10.265 -30.731 2.646 1.00 0.00 N ATOM 754 CZ ARG A 52 -10.302 -31.987 2.216 1.00 0.00 C ATOM 755 NH1 ARG A 52 -9.681 -32.326 1.095 1.00 0.00 N ATOM 756 NH2 ARG A 52 -10.960 -32.908 2.909 1.00 0.00 N ATOM 0 H ARG A 52 -7.668 -25.371 1.069 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.491 -25.767 3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.692 -27.282 1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.451 -27.835 2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.106 -28.683 3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.414 -27.935 2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.099 -29.414 1.029 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.572 -30.001 1.657 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.753 -30.504 3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.173 -31.621 0.560 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.711 -33.291 0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.438 -32.651 3.773 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.988 -33.872 2.578 1.00 0.00 H new ATOM 770 N GLU A 53 -8.405 -26.375 5.290 1.00 0.00 N ATOM 771 CA GLU A 53 -7.784 -26.471 6.606 1.00 0.00 C ATOM 772 C GLU A 53 -7.330 -27.900 6.890 1.00 0.00 C ATOM 773 O GLU A 53 -8.145 -28.778 7.174 1.00 0.00 O ATOM 774 CB GLU A 53 -8.760 -26.010 7.690 1.00 0.00 C ATOM 775 CG GLU A 53 -8.080 -25.573 8.976 1.00 0.00 C ATOM 776 CD GLU A 53 -7.262 -26.682 9.610 1.00 0.00 C ATOM 777 OE1 GLU A 53 -7.815 -27.782 9.818 1.00 0.00 O ATOM 778 OE2 GLU A 53 -6.069 -26.449 9.898 1.00 0.00 O ATOM 0 H GLU A 53 -9.416 -26.514 5.289 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.909 -25.821 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.354 -25.182 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.452 -26.822 7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.432 -24.722 8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.835 -25.233 9.685 1.00 0.00 H new ATOM 785 N LYS A 54 -6.023 -28.126 6.811 1.00 0.00 N ATOM 786 CA LYS A 54 -5.458 -29.447 7.060 1.00 0.00 C ATOM 787 C LYS A 54 -5.038 -29.593 8.519 1.00 0.00 C ATOM 788 O LYS A 54 -5.626 -30.372 9.269 1.00 0.00 O ATOM 789 CB LYS A 54 -4.256 -29.691 6.144 1.00 0.00 C ATOM 790 CG LYS A 54 -4.638 -30.146 4.747 1.00 0.00 C ATOM 791 CD LYS A 54 -4.728 -31.661 4.659 1.00 0.00 C ATOM 792 CE LYS A 54 -6.119 -32.159 5.022 1.00 0.00 C ATOM 793 NZ LYS A 54 -6.349 -33.553 4.551 1.00 0.00 N ATOM 0 H LYS A 54 -5.335 -27.411 6.576 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.226 -30.190 6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.673 -28.773 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.611 -30.443 6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.596 -29.707 4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.901 -29.782 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.477 -31.983 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.994 -32.110 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.250 -32.115 6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.867 -31.499 4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.308 -33.856 4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.249 -33.591 3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.651 -34.187 4.990 1.00 0.00 H new ATOM 807 N ASP A 55 -4.018 -28.839 8.914 1.00 0.00 N ATOM 808 CA ASP A 55 -3.521 -28.883 10.284 1.00 0.00 C ATOM 809 C ASP A 55 -4.662 -29.118 11.269 1.00 0.00 C ATOM 810 O ASP A 55 -5.609 -28.335 11.336 1.00 0.00 O ATOM 811 CB ASP A 55 -2.795 -27.581 10.627 1.00 0.00 C ATOM 812 CG ASP A 55 -2.208 -27.597 12.025 1.00 0.00 C ATOM 813 OD1 ASP A 55 -2.991 -27.593 12.997 1.00 0.00 O ATOM 814 OD2 ASP A 55 -0.965 -27.613 12.147 1.00 0.00 O ATOM 0 H ASP A 55 -3.519 -28.190 8.305 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.820 -29.714 10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.998 -27.411 9.903 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.490 -26.746 10.537 1.00 0.00 H new TER 819 ASP A 55 HETATM 820 ZN ZN A 201 0.045 1.776 3.122 1.00 0.00 ZN