USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 613 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 Set 1.1: A 56 GLN : amide:sc= -0.262 X(o=-0.52,f=-0.26) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.259 X(o=-0.52,f=-0.26) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= -0.433 USER MOD Set 2.2: A 18 GLN : amide:sc= 0.595 K(o=0.16,f=-6.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -81:sc= 1.26 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.0513 (180deg=-0.34) USER MOD Single : A 27 HIS : no HD1:sc= -0.0318 X(o=-0.032,f=-0.23) USER MOD Single : A 28 CYS SG : rot 14:sc= -1.27 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.57 K(o=-1.6,f=-1) USER MOD Single : A 42 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0922 K(o=-0.092,f=-1.6) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.781 K(o=0.78,f=-0.01) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.787 -2.700 -3.487 1.00 63.31 N ATOM 2 CA GLY A 1 23.961 -3.538 -2.622 1.00 4.22 C ATOM 3 C GLY A 1 22.683 -2.817 -2.246 1.00 32.33 C ATOM 4 O GLY A 1 21.762 -2.756 -3.068 1.00 62.32 O ATOM 0 H1 GLY A 1 25.659 -3.210 -3.735 1.00 63.31 H new ATOM 0 H2 GLY A 1 24.261 -2.472 -4.355 1.00 63.31 H new ATOM 0 H3 GLY A 1 25.030 -1.820 -2.988 1.00 63.31 H new ATOM 0 HA2 GLY A 1 23.722 -4.472 -3.131 1.00 4.22 H new ATOM 0 HA3 GLY A 1 24.516 -3.799 -1.721 1.00 4.22 H new ATOM 8 N ALA A 2 22.642 -2.290 -1.018 1.00 12.24 N ATOM 9 CA ALA A 2 21.475 -1.881 -0.240 1.00 74.00 C ATOM 10 C ALA A 2 20.676 -3.115 0.219 1.00 64.04 C ATOM 11 O ALA A 2 20.565 -4.093 -0.531 1.00 73.41 O ATOM 12 CB ALA A 2 20.608 -0.854 -0.981 1.00 1.13 C ATOM 0 H ALA A 2 23.505 -2.125 -0.499 1.00 12.24 H new ATOM 0 HA ALA A 2 21.830 -1.368 0.654 1.00 74.00 H new ATOM 0 HB1 ALA A 2 19.754 -0.583 -0.360 1.00 1.13 H new ATOM 0 HB2 ALA A 2 21.200 0.037 -1.193 1.00 1.13 H new ATOM 0 HB3 ALA A 2 20.253 -1.285 -1.917 1.00 1.13 H new ATOM 18 N PRO A 3 20.080 -3.095 1.425 1.00 52.42 N ATOM 19 CA PRO A 3 19.377 -4.250 1.972 1.00 53.51 C ATOM 20 C PRO A 3 18.010 -4.433 1.298 1.00 45.30 C ATOM 21 O PRO A 3 17.586 -3.619 0.468 1.00 64.24 O ATOM 22 CB PRO A 3 19.262 -3.966 3.474 1.00 73.41 C ATOM 23 CG PRO A 3 19.162 -2.445 3.525 1.00 64.13 C ATOM 24 CD PRO A 3 20.083 -2.001 2.389 1.00 30.35 C ATOM 0 HA PRO A 3 19.905 -5.186 1.791 1.00 53.51 H new ATOM 0 HB2 PRO A 3 18.384 -4.444 3.910 1.00 73.41 H new ATOM 0 HB3 PRO A 3 20.130 -4.333 4.022 1.00 73.41 H new ATOM 0 HG2 PRO A 3 18.139 -2.103 3.372 1.00 64.13 H new ATOM 0 HG3 PRO A 3 19.489 -2.051 4.487 1.00 64.13 H new ATOM 0 HD2 PRO A 3 19.725 -1.078 1.934 1.00 30.35 H new ATOM 0 HD3 PRO A 3 21.091 -1.806 2.756 1.00 30.35 H new ATOM 32 N GLY A 4 17.311 -5.506 1.661 1.00 11.14 N ATOM 33 CA GLY A 4 15.988 -5.842 1.152 1.00 21.32 C ATOM 34 C GLY A 4 15.421 -7.073 1.859 1.00 34.24 C ATOM 35 O GLY A 4 14.730 -7.874 1.223 1.00 14.15 O ATOM 0 H GLY A 4 17.662 -6.184 2.337 1.00 11.14 H new ATOM 0 HA2 GLY A 4 15.315 -4.996 1.293 1.00 21.32 H new ATOM 0 HA3 GLY A 4 16.044 -6.029 0.080 1.00 21.32 H new ATOM 39 N GLY A 5 15.768 -7.255 3.136 1.00 63.12 N ATOM 40 CA GLY A 5 15.420 -8.384 3.986 1.00 62.42 C ATOM 41 C GLY A 5 14.280 -8.029 4.934 1.00 72.53 C ATOM 42 O GLY A 5 13.586 -7.033 4.720 1.00 52.14 O ATOM 0 H GLY A 5 16.337 -6.569 3.631 1.00 63.12 H new ATOM 0 HA2 GLY A 5 15.131 -9.233 3.367 1.00 62.42 H new ATOM 0 HA3 GLY A 5 16.293 -8.692 4.562 1.00 62.42 H new ATOM 46 N LYS A 6 14.095 -8.842 5.985 1.00 65.52 N ATOM 47 CA LYS A 6 13.117 -8.669 7.071 1.00 45.23 C ATOM 48 C LYS A 6 11.698 -8.338 6.575 1.00 10.42 C ATOM 49 O LYS A 6 10.925 -7.667 7.264 1.00 63.31 O ATOM 50 CB LYS A 6 13.684 -7.744 8.179 1.00 70.22 C ATOM 51 CG LYS A 6 14.203 -6.371 7.707 1.00 22.52 C ATOM 52 CD LYS A 6 14.738 -5.463 8.823 1.00 3.34 C ATOM 53 CE LYS A 6 16.009 -5.996 9.504 1.00 14.22 C ATOM 54 NZ LYS A 6 16.673 -4.959 10.323 1.00 12.11 N ATOM 0 H LYS A 6 14.655 -9.686 6.107 1.00 65.52 H new ATOM 0 HA LYS A 6 12.966 -9.635 7.552 1.00 45.23 H new ATOM 0 HB2 LYS A 6 12.905 -7.580 8.923 1.00 70.22 H new ATOM 0 HB3 LYS A 6 14.499 -8.266 8.680 1.00 70.22 H new ATOM 0 HG2 LYS A 6 14.996 -6.530 6.977 1.00 22.52 H new ATOM 0 HG3 LYS A 6 13.395 -5.851 7.192 1.00 22.52 H new ATOM 0 HD2 LYS A 6 14.946 -4.477 8.407 1.00 3.34 H new ATOM 0 HD3 LYS A 6 13.961 -5.333 9.576 1.00 3.34 H new ATOM 0 HE2 LYS A 6 15.753 -6.848 10.134 1.00 14.22 H new ATOM 0 HE3 LYS A 6 16.703 -6.358 8.745 1.00 14.22 H new ATOM 0 HZ1 LYS A 6 17.525 -5.359 10.765 1.00 12.11 H new ATOM 0 HZ2 LYS A 6 16.941 -4.157 9.717 1.00 12.11 H new ATOM 0 HZ3 LYS A 6 16.021 -4.631 11.064 1.00 12.11 H new ATOM 68 N SER A 7 11.343 -8.820 5.380 1.00 25.55 N ATOM 69 CA SER A 7 10.103 -8.514 4.679 1.00 70.21 C ATOM 70 C SER A 7 9.713 -9.671 3.747 1.00 23.44 C ATOM 71 O SER A 7 10.514 -10.579 3.475 1.00 32.41 O ATOM 72 CB SER A 7 10.294 -7.204 3.890 1.00 42.20 C ATOM 73 OG SER A 7 11.461 -7.245 3.085 1.00 65.34 O ATOM 0 H SER A 7 11.940 -9.460 4.857 1.00 25.55 H new ATOM 0 HA SER A 7 9.292 -8.387 5.396 1.00 70.21 H new ATOM 0 HB2 SER A 7 9.422 -7.028 3.260 1.00 42.20 H new ATOM 0 HB3 SER A 7 10.360 -6.366 4.585 1.00 42.20 H new ATOM 0 HG SER A 7 12.246 -7.041 3.636 1.00 65.34 H new ATOM 79 N ARG A 8 8.504 -9.611 3.186 1.00 44.41 N ATOM 80 CA ARG A 8 8.075 -10.369 2.011 1.00 5.23 C ATOM 81 C ARG A 8 7.805 -9.359 0.896 1.00 41.22 C ATOM 82 O ARG A 8 7.855 -8.140 1.110 1.00 5.33 O ATOM 83 CB ARG A 8 6.826 -11.202 2.357 1.00 44.13 C ATOM 84 CG ARG A 8 7.133 -12.413 3.258 1.00 33.45 C ATOM 85 CD ARG A 8 6.020 -12.647 4.289 1.00 4.24 C ATOM 86 NE ARG A 8 5.657 -14.062 4.445 1.00 24.45 N ATOM 87 CZ ARG A 8 4.625 -14.475 5.192 1.00 3.34 C ATOM 88 NH1 ARG A 8 4.173 -13.718 6.187 1.00 11.13 N ATOM 89 NH2 ARG A 8 4.047 -15.637 4.930 1.00 73.34 N ATOM 0 H ARG A 8 7.768 -9.008 3.553 1.00 44.41 H new ATOM 0 HA ARG A 8 8.840 -11.073 1.682 1.00 5.23 H new ATOM 0 HB2 ARG A 8 6.098 -10.562 2.855 1.00 44.13 H new ATOM 0 HB3 ARG A 8 6.364 -11.552 1.434 1.00 44.13 H new ATOM 0 HG2 ARG A 8 7.252 -13.304 2.642 1.00 33.45 H new ATOM 0 HG3 ARG A 8 8.080 -12.253 3.774 1.00 33.45 H new ATOM 0 HD2 ARG A 8 6.340 -12.253 5.254 1.00 4.24 H new ATOM 0 HD3 ARG A 8 5.136 -12.083 3.992 1.00 4.24 H new ATOM 0 HE ARG A 8 6.218 -14.763 3.961 1.00 24.45 H new ATOM 0 HH11 ARG A 8 4.612 -12.819 6.384 1.00 11.13 H new ATOM 0 HH12 ARG A 8 3.387 -14.036 6.753 1.00 11.13 H new ATOM 0 HH21 ARG A 8 4.388 -16.214 4.161 1.00 73.34 H new ATOM 0 HH22 ARG A 8 3.261 -15.955 5.497 1.00 73.34 H new ATOM 103 N ARG A 9 7.551 -9.843 -0.320 1.00 52.54 N ATOM 104 CA ARG A 9 7.423 -8.980 -1.490 1.00 24.45 C ATOM 105 C ARG A 9 6.041 -9.149 -2.099 1.00 24.11 C ATOM 106 O ARG A 9 5.821 -10.094 -2.845 1.00 61.00 O ATOM 107 CB ARG A 9 8.600 -9.206 -2.454 1.00 11.12 C ATOM 108 CG ARG A 9 9.876 -8.563 -1.871 1.00 42.14 C ATOM 109 CD ARG A 9 11.135 -8.868 -2.682 1.00 30.42 C ATOM 110 NE ARG A 9 11.550 -10.272 -2.533 1.00 2.32 N ATOM 111 CZ ARG A 9 12.550 -10.867 -3.190 1.00 54.11 C ATOM 112 NH1 ARG A 9 13.277 -10.197 -4.075 1.00 1.14 N ATOM 113 NH2 ARG A 9 12.810 -12.141 -2.937 1.00 74.13 N ATOM 0 H ARG A 9 7.429 -10.836 -0.519 1.00 52.54 H new ATOM 0 HA ARG A 9 7.493 -7.929 -1.211 1.00 24.45 H new ATOM 0 HB2 ARG A 9 8.757 -10.273 -2.609 1.00 11.12 H new ATOM 0 HB3 ARG A 9 8.374 -8.772 -3.428 1.00 11.12 H new ATOM 0 HG2 ARG A 9 9.739 -7.483 -1.820 1.00 42.14 H new ATOM 0 HG3 ARG A 9 10.017 -8.915 -0.849 1.00 42.14 H new ATOM 0 HD2 ARG A 9 10.951 -8.652 -3.735 1.00 30.42 H new ATOM 0 HD3 ARG A 9 11.944 -8.213 -2.359 1.00 30.42 H new ATOM 0 HE ARG A 9 11.027 -10.842 -1.868 1.00 2.32 H new ATOM 0 HH11 ARG A 9 13.076 -9.215 -4.261 1.00 1.14 H new ATOM 0 HH12 ARG A 9 14.037 -10.664 -4.569 1.00 1.14 H new ATOM 0 HH21 ARG A 9 12.251 -12.649 -2.252 1.00 74.13 H new ATOM 0 HH22 ARG A 9 13.569 -12.614 -3.428 1.00 74.13 H new ATOM 127 N ARG A 10 5.124 -8.247 -1.729 1.00 45.44 N ATOM 128 CA ARG A 10 3.719 -8.180 -2.132 1.00 21.03 C ATOM 129 C ARG A 10 3.054 -9.555 -2.077 1.00 72.31 C ATOM 130 O ARG A 10 2.761 -10.146 -3.120 1.00 25.13 O ATOM 131 CB ARG A 10 3.547 -7.480 -3.492 1.00 34.05 C ATOM 132 CG ARG A 10 2.069 -7.083 -3.695 1.00 30.32 C ATOM 133 CD ARG A 10 1.629 -7.237 -5.150 1.00 41.11 C ATOM 134 NE ARG A 10 2.135 -6.153 -6.010 1.00 75.14 N ATOM 135 CZ ARG A 10 2.293 -6.232 -7.336 1.00 31.03 C ATOM 136 NH1 ARG A 10 2.082 -7.377 -7.978 1.00 23.25 N ATOM 137 NH2 ARG A 10 2.672 -5.154 -8.003 1.00 0.25 N ATOM 0 H ARG A 10 5.366 -7.488 -1.092 1.00 45.44 H new ATOM 0 HA ARG A 10 3.195 -7.558 -1.407 1.00 21.03 H new ATOM 0 HB2 ARG A 10 4.180 -6.594 -3.537 1.00 34.05 H new ATOM 0 HB3 ARG A 10 3.868 -8.143 -4.295 1.00 34.05 H new ATOM 0 HG2 ARG A 10 1.437 -7.701 -3.058 1.00 30.32 H new ATOM 0 HG3 ARG A 10 1.925 -6.049 -3.380 1.00 30.32 H new ATOM 0 HD2 ARG A 10 1.981 -8.195 -5.533 1.00 41.11 H new ATOM 0 HD3 ARG A 10 0.540 -7.256 -5.197 1.00 41.11 H new ATOM 0 HE ARG A 10 2.385 -5.273 -5.559 1.00 75.14 H new ATOM 0 HH11 ARG A 10 1.796 -8.207 -7.459 1.00 23.25 H new ATOM 0 HH12 ARG A 10 2.206 -7.425 -8.989 1.00 23.25 H new ATOM 0 HH21 ARG A 10 2.839 -4.279 -7.506 1.00 0.25 H new ATOM 0 HH22 ARG A 10 2.797 -5.198 -9.014 1.00 0.25 H new ATOM 151 N ARG A 11 2.788 -10.061 -0.870 1.00 45.43 N ATOM 152 CA ARG A 11 2.297 -11.420 -0.682 1.00 63.34 C ATOM 153 C ARG A 11 1.070 -11.417 0.226 1.00 25.22 C ATOM 154 O ARG A 11 1.156 -11.833 1.379 1.00 30.22 O ATOM 155 CB ARG A 11 3.474 -12.286 -0.190 1.00 65.43 C ATOM 156 CG ARG A 11 3.387 -13.770 -0.569 1.00 64.42 C ATOM 157 CD ARG A 11 2.216 -14.572 0.031 1.00 51.44 C ATOM 158 NE ARG A 11 0.937 -14.454 -0.700 1.00 62.30 N ATOM 159 CZ ARG A 11 0.696 -14.848 -1.960 1.00 22.13 C ATOM 160 NH1 ARG A 11 1.628 -15.456 -2.684 1.00 23.43 N ATOM 161 NH2 ARG A 11 -0.494 -14.656 -2.504 1.00 65.24 N ATOM 0 H ARG A 11 2.908 -9.539 -0.002 1.00 45.43 H new ATOM 0 HA ARG A 11 1.945 -11.863 -1.614 1.00 63.34 H new ATOM 0 HB2 ARG A 11 4.400 -11.877 -0.593 1.00 65.43 H new ATOM 0 HB3 ARG A 11 3.536 -12.206 0.895 1.00 65.43 H new ATOM 0 HG2 ARG A 11 3.326 -13.840 -1.655 1.00 64.42 H new ATOM 0 HG3 ARG A 11 4.318 -14.252 -0.270 1.00 64.42 H new ATOM 0 HD2 ARG A 11 2.499 -15.624 0.070 1.00 51.44 H new ATOM 0 HD3 ARG A 11 2.061 -14.245 1.059 1.00 51.44 H new ATOM 0 HE ARG A 11 0.158 -14.030 -0.196 1.00 62.30 H new ATOM 0 HH11 ARG A 11 2.550 -15.632 -2.284 1.00 23.43 H new ATOM 0 HH12 ARG A 11 1.422 -15.747 -3.640 1.00 23.43 H new ATOM 0 HH21 ARG A 11 -1.234 -14.206 -1.965 1.00 65.24 H new ATOM 0 HH22 ARG A 11 -0.671 -14.958 -3.462 1.00 65.24 H new ATOM 175 N THR A 12 -0.082 -10.993 -0.285 1.00 11.25 N ATOM 176 CA THR A 12 -1.363 -11.168 0.404 1.00 65.22 C ATOM 177 C THR A 12 -2.456 -11.447 -0.638 1.00 11.35 C ATOM 178 O THR A 12 -2.210 -11.349 -1.844 1.00 30.03 O ATOM 179 CB THR A 12 -1.717 -9.948 1.282 1.00 71.22 C ATOM 180 OG1 THR A 12 -0.608 -9.153 1.657 1.00 43.21 O ATOM 181 CG2 THR A 12 -2.409 -10.356 2.587 1.00 54.00 C ATOM 0 H THR A 12 -0.157 -10.520 -1.185 1.00 11.25 H new ATOM 0 HA THR A 12 -1.285 -12.018 1.082 1.00 65.22 H new ATOM 0 HB THR A 12 -2.377 -9.367 0.638 1.00 71.22 H new ATOM 0 HG1 THR A 12 -0.915 -8.403 2.208 1.00 43.21 H new ATOM 0 HG21 THR A 12 -2.639 -9.465 3.171 1.00 54.00 H new ATOM 0 HG22 THR A 12 -3.333 -10.888 2.358 1.00 54.00 H new ATOM 0 HG23 THR A 12 -1.749 -11.006 3.161 1.00 54.00 H new ATOM 189 N ALA A 13 -3.668 -11.793 -0.190 1.00 5.42 N ATOM 190 CA ALA A 13 -4.828 -12.002 -1.048 1.00 42.14 C ATOM 191 C ALA A 13 -5.413 -10.655 -1.484 1.00 61.02 C ATOM 192 O ALA A 13 -6.419 -10.201 -0.940 1.00 44.32 O ATOM 193 CB ALA A 13 -5.861 -12.871 -0.322 1.00 25.02 C ATOM 0 H ALA A 13 -3.869 -11.937 0.800 1.00 5.42 H new ATOM 0 HA ALA A 13 -4.526 -12.532 -1.952 1.00 42.14 H new ATOM 0 HB1 ALA A 13 -6.726 -13.024 -0.968 1.00 25.02 H new ATOM 0 HB2 ALA A 13 -5.417 -13.835 -0.076 1.00 25.02 H new ATOM 0 HB3 ALA A 13 -6.176 -12.372 0.595 1.00 25.02 H new ATOM 199 N PHE A 14 -4.759 -10.006 -2.445 1.00 33.31 N ATOM 200 CA PHE A 14 -5.307 -8.920 -3.246 1.00 61.14 C ATOM 201 C PHE A 14 -5.145 -9.390 -4.688 1.00 53.31 C ATOM 202 O PHE A 14 -4.033 -9.779 -5.069 1.00 53.50 O ATOM 203 CB PHE A 14 -4.551 -7.599 -3.036 1.00 43.40 C ATOM 204 CG PHE A 14 -4.832 -6.787 -1.782 1.00 11.24 C ATOM 205 CD1 PHE A 14 -4.775 -7.357 -0.497 1.00 45.34 C ATOM 206 CD2 PHE A 14 -5.123 -5.416 -1.899 1.00 45.32 C ATOM 207 CE1 PHE A 14 -4.997 -6.582 0.649 1.00 13.24 C ATOM 208 CE2 PHE A 14 -5.362 -4.641 -0.752 1.00 65.14 C ATOM 209 CZ PHE A 14 -5.286 -5.216 0.522 1.00 30.31 C ATOM 0 H PHE A 14 -3.796 -10.233 -2.695 1.00 33.31 H new ATOM 0 HA PHE A 14 -6.342 -8.714 -2.971 1.00 61.14 H new ATOM 0 HB2 PHE A 14 -3.484 -7.823 -3.052 1.00 43.40 H new ATOM 0 HB3 PHE A 14 -4.756 -6.961 -3.896 1.00 43.40 H new ATOM 0 HD1 PHE A 14 -4.556 -8.409 -0.392 1.00 45.34 H new ATOM 0 HD2 PHE A 14 -5.163 -4.957 -2.876 1.00 45.32 H new ATOM 0 HE1 PHE A 14 -4.946 -7.036 1.628 1.00 13.24 H new ATOM 0 HE2 PHE A 14 -5.606 -3.594 -0.854 1.00 65.14 H new ATOM 0 HZ PHE A 14 -5.449 -4.611 1.402 1.00 30.31 H new ATOM 219 N THR A 15 -6.217 -9.451 -5.473 1.00 44.24 N ATOM 220 CA THR A 15 -6.101 -9.785 -6.887 1.00 40.32 C ATOM 221 C THR A 15 -5.483 -8.591 -7.638 1.00 35.21 C ATOM 222 O THR A 15 -5.388 -7.487 -7.095 1.00 63.21 O ATOM 223 CB THR A 15 -7.469 -10.231 -7.429 1.00 20.45 C ATOM 224 OG1 THR A 15 -8.482 -9.292 -7.214 1.00 3.31 O ATOM 225 CG2 THR A 15 -7.936 -11.544 -6.809 1.00 62.14 C ATOM 0 H THR A 15 -7.170 -9.274 -5.155 1.00 44.24 H new ATOM 0 HA THR A 15 -5.429 -10.630 -7.041 1.00 40.32 H new ATOM 0 HB THR A 15 -7.303 -10.349 -8.500 1.00 20.45 H new ATOM 0 HG1 THR A 15 -9.325 -9.631 -7.581 1.00 3.31 H new ATOM 0 HG21 THR A 15 -8.906 -11.817 -7.223 1.00 62.14 H new ATOM 0 HG22 THR A 15 -7.213 -12.329 -7.031 1.00 62.14 H new ATOM 0 HG23 THR A 15 -8.023 -11.426 -5.729 1.00 62.14 H new ATOM 233 N SER A 16 -5.037 -8.785 -8.883 1.00 34.15 N ATOM 234 CA SER A 16 -4.389 -7.734 -9.662 1.00 22.24 C ATOM 235 C SER A 16 -5.267 -6.498 -9.863 1.00 22.44 C ATOM 236 O SER A 16 -4.719 -5.405 -9.992 1.00 74.33 O ATOM 237 CB SER A 16 -4.000 -8.270 -11.028 1.00 3.51 C ATOM 238 OG SER A 16 -3.178 -9.416 -10.904 1.00 34.23 O ATOM 0 H SER A 16 -5.116 -9.675 -9.375 1.00 34.15 H new ATOM 0 HA SER A 16 -3.513 -7.429 -9.090 1.00 22.24 H new ATOM 0 HB2 SER A 16 -4.897 -8.520 -11.594 1.00 3.51 H new ATOM 0 HB3 SER A 16 -3.473 -7.498 -11.590 1.00 3.51 H new ATOM 0 HG SER A 16 -2.940 -9.746 -11.796 1.00 34.23 H new ATOM 244 N GLU A 17 -6.590 -6.668 -9.897 1.00 34.11 N ATOM 245 CA GLU A 17 -7.590 -5.623 -9.925 1.00 4.45 C ATOM 246 C GLU A 17 -7.456 -4.726 -8.698 1.00 13.24 C ATOM 247 O GLU A 17 -7.298 -3.510 -8.816 1.00 52.10 O ATOM 248 CB GLU A 17 -8.950 -6.328 -9.977 1.00 40.51 C ATOM 249 CG GLU A 17 -10.091 -5.384 -10.368 1.00 31.45 C ATOM 250 CD GLU A 17 -10.986 -4.989 -9.192 1.00 55.10 C ATOM 251 OE1 GLU A 17 -10.489 -4.949 -8.048 1.00 0.41 O ATOM 252 OE2 GLU A 17 -12.201 -4.788 -9.390 1.00 44.51 O ATOM 0 H GLU A 17 -7.007 -7.599 -9.906 1.00 34.11 H new ATOM 0 HA GLU A 17 -7.471 -4.971 -10.791 1.00 4.45 H new ATOM 0 HB2 GLU A 17 -8.902 -7.149 -10.692 1.00 40.51 H new ATOM 0 HB3 GLU A 17 -9.165 -6.767 -9.003 1.00 40.51 H new ATOM 0 HG2 GLU A 17 -9.670 -4.482 -10.813 1.00 31.45 H new ATOM 0 HG3 GLU A 17 -10.701 -5.862 -11.134 1.00 31.45 H new ATOM 259 N GLN A 18 -7.481 -5.337 -7.518 1.00 1.53 N ATOM 260 CA GLN A 18 -7.443 -4.643 -6.240 1.00 14.55 C ATOM 261 C GLN A 18 -6.064 -4.008 -6.047 1.00 35.25 C ATOM 262 O GLN A 18 -5.937 -2.982 -5.389 1.00 24.45 O ATOM 263 CB GLN A 18 -7.773 -5.627 -5.101 1.00 40.51 C ATOM 264 CG GLN A 18 -8.957 -6.555 -5.423 1.00 55.30 C ATOM 265 CD GLN A 18 -9.274 -7.514 -4.278 1.00 15.11 C ATOM 266 OE1 GLN A 18 -8.508 -8.440 -4.016 1.00 52.31 O ATOM 267 NE2 GLN A 18 -10.371 -7.365 -3.556 1.00 21.43 N ATOM 0 H GLN A 18 -7.529 -6.351 -7.424 1.00 1.53 H new ATOM 0 HA GLN A 18 -8.191 -3.850 -6.225 1.00 14.55 H new ATOM 0 HB2 GLN A 18 -6.893 -6.233 -4.887 1.00 40.51 H new ATOM 0 HB3 GLN A 18 -7.998 -5.062 -4.196 1.00 40.51 H new ATOM 0 HG2 GLN A 18 -9.838 -5.952 -5.643 1.00 55.30 H new ATOM 0 HG3 GLN A 18 -8.731 -7.129 -6.322 1.00 55.30 H new ATOM 0 HE21 GLN A 18 -11.016 -6.602 -3.761 1.00 21.43 H new ATOM 0 HE22 GLN A 18 -10.572 -8.013 -2.794 1.00 21.43 H new ATOM 276 N LEU A 19 -5.028 -4.594 -6.660 1.00 55.40 N ATOM 277 CA LEU A 19 -3.674 -4.062 -6.620 1.00 53.12 C ATOM 278 C LEU A 19 -3.476 -2.904 -7.594 1.00 42.30 C ATOM 279 O LEU A 19 -2.424 -2.273 -7.567 1.00 2.33 O ATOM 280 CB LEU A 19 -2.707 -5.184 -7.010 1.00 60.00 C ATOM 281 CG LEU A 19 -2.521 -6.249 -5.922 1.00 75.23 C ATOM 282 CD1 LEU A 19 -1.852 -7.489 -6.518 1.00 54.43 C ATOM 283 CD2 LEU A 19 -1.693 -5.721 -4.754 1.00 42.54 C ATOM 0 H LEU A 19 -5.114 -5.456 -7.199 1.00 55.40 H new ATOM 0 HA LEU A 19 -3.489 -3.690 -5.612 1.00 53.12 H new ATOM 0 HB2 LEU A 19 -3.071 -5.665 -7.918 1.00 60.00 H new ATOM 0 HB3 LEU A 19 -1.737 -4.748 -7.248 1.00 60.00 H new ATOM 0 HG LEU A 19 -3.507 -6.513 -5.539 1.00 75.23 H new ATOM 0 HD11 LEU A 19 -1.723 -8.242 -5.740 1.00 54.43 H new ATOM 0 HD12 LEU A 19 -2.478 -7.893 -7.314 1.00 54.43 H new ATOM 0 HD13 LEU A 19 -0.878 -7.217 -6.925 1.00 54.43 H new ATOM 0 HD21 LEU A 19 -1.583 -6.503 -4.003 1.00 42.54 H new ATOM 0 HD22 LEU A 19 -0.708 -5.420 -5.112 1.00 42.54 H new ATOM 0 HD23 LEU A 19 -2.196 -4.861 -4.311 1.00 42.54 H new ATOM 295 N LEU A 20 -4.424 -2.668 -8.498 1.00 40.30 N ATOM 296 CA LEU A 20 -4.271 -1.720 -9.595 1.00 71.02 C ATOM 297 C LEU A 20 -4.591 -0.336 -9.056 1.00 22.43 C ATOM 298 O LEU A 20 -3.820 0.612 -9.181 1.00 22.44 O ATOM 299 CB LEU A 20 -5.246 -2.070 -10.745 1.00 0.41 C ATOM 300 CG LEU A 20 -4.711 -1.808 -12.160 1.00 41.12 C ATOM 301 CD1 LEU A 20 -4.055 -0.437 -12.342 1.00 15.21 C ATOM 302 CD2 LEU A 20 -3.732 -2.911 -12.573 1.00 74.21 C ATOM 0 H LEU A 20 -5.330 -3.136 -8.488 1.00 40.30 H new ATOM 0 HA LEU A 20 -3.254 -1.757 -9.987 1.00 71.02 H new ATOM 0 HB2 LEU A 20 -5.514 -3.124 -10.665 1.00 0.41 H new ATOM 0 HB3 LEU A 20 -6.163 -1.497 -10.609 1.00 0.41 H new ATOM 0 HG LEU A 20 -5.587 -1.814 -12.809 1.00 41.12 H new ATOM 0 HD11 LEU A 20 -3.705 -0.335 -13.369 1.00 15.21 H new ATOM 0 HD12 LEU A 20 -4.782 0.346 -12.127 1.00 15.21 H new ATOM 0 HD13 LEU A 20 -3.210 -0.345 -11.660 1.00 15.21 H new ATOM 0 HD21 LEU A 20 -3.362 -2.711 -13.578 1.00 74.21 H new ATOM 0 HD22 LEU A 20 -2.895 -2.934 -11.876 1.00 74.21 H new ATOM 0 HD23 LEU A 20 -4.242 -3.874 -12.559 1.00 74.21 H new ATOM 314 N GLU A 21 -5.782 -0.254 -8.478 1.00 72.00 N ATOM 315 CA GLU A 21 -6.459 0.952 -8.056 1.00 12.34 C ATOM 316 C GLU A 21 -5.683 1.558 -6.872 1.00 24.21 C ATOM 317 O GLU A 21 -5.428 2.761 -6.840 1.00 21.25 O ATOM 318 CB GLU A 21 -7.919 0.517 -7.810 1.00 60.44 C ATOM 319 CG GLU A 21 -8.210 0.017 -6.410 1.00 24.05 C ATOM 320 CD GLU A 21 -8.553 1.218 -5.507 1.00 42.10 C ATOM 321 OE1 GLU A 21 -9.582 1.893 -5.782 1.00 43.52 O ATOM 322 OE2 GLU A 21 -7.752 1.535 -4.616 1.00 1.54 O ATOM 0 H GLU A 21 -6.333 -1.089 -8.281 1.00 72.00 H new ATOM 0 HA GLU A 21 -6.488 1.770 -8.776 1.00 12.34 H new ATOM 0 HB2 GLU A 21 -8.575 1.362 -8.022 1.00 60.44 H new ATOM 0 HB3 GLU A 21 -8.173 -0.269 -8.521 1.00 60.44 H new ATOM 0 HG2 GLU A 21 -9.040 -0.689 -6.428 1.00 24.05 H new ATOM 0 HG3 GLU A 21 -7.346 -0.517 -6.014 1.00 24.05 H new ATOM 329 N LEU A 22 -5.151 0.695 -5.996 1.00 43.52 N ATOM 330 CA LEU A 22 -4.305 1.036 -4.856 1.00 31.15 C ATOM 331 C LEU A 22 -3.078 1.827 -5.301 1.00 20.02 C ATOM 332 O LEU A 22 -2.537 2.630 -4.537 1.00 75.13 O ATOM 333 CB LEU A 22 -3.845 -0.272 -4.175 1.00 34.43 C ATOM 334 CG LEU A 22 -4.465 -0.599 -2.804 1.00 55.43 C ATOM 335 CD1 LEU A 22 -5.983 -0.459 -2.753 1.00 31.45 C ATOM 336 CD2 LEU A 22 -4.115 -2.045 -2.448 1.00 21.21 C ATOM 0 H LEU A 22 -5.310 -0.310 -6.072 1.00 43.52 H new ATOM 0 HA LEU A 22 -4.878 1.652 -4.163 1.00 31.15 H new ATOM 0 HB2 LEU A 22 -4.060 -1.100 -4.851 1.00 34.43 H new ATOM 0 HB3 LEU A 22 -2.762 -0.230 -4.056 1.00 34.43 H new ATOM 0 HG LEU A 22 -4.054 0.124 -2.100 1.00 55.43 H new ATOM 0 HD11 LEU A 22 -6.338 -0.708 -1.753 1.00 31.45 H new ATOM 0 HD12 LEU A 22 -6.262 0.567 -2.993 1.00 31.45 H new ATOM 0 HD13 LEU A 22 -6.435 -1.136 -3.477 1.00 31.45 H new ATOM 0 HD21 LEU A 22 -4.546 -2.296 -1.479 1.00 21.21 H new ATOM 0 HD22 LEU A 22 -4.518 -2.714 -3.208 1.00 21.21 H new ATOM 0 HD23 LEU A 22 -3.032 -2.157 -2.403 1.00 21.21 H new ATOM 348 N ARG A 23 -2.591 1.582 -6.521 1.00 3.32 N ATOM 349 CA ARG A 23 -1.382 2.202 -7.045 1.00 75.13 C ATOM 350 C ARG A 23 -1.723 3.529 -7.714 1.00 54.11 C ATOM 351 O ARG A 23 -0.796 4.246 -8.088 1.00 60.31 O ATOM 352 CB ARG A 23 -0.674 1.244 -8.017 1.00 52.42 C ATOM 353 CG ARG A 23 -0.174 -0.022 -7.305 1.00 43.30 C ATOM 354 CD ARG A 23 0.207 -1.130 -8.291 1.00 40.54 C ATOM 355 NE ARG A 23 1.439 -0.825 -9.029 1.00 71.44 N ATOM 356 CZ ARG A 23 1.833 -1.404 -10.168 1.00 13.41 C ATOM 357 NH1 ARG A 23 1.128 -2.390 -10.721 1.00 62.34 N ATOM 358 NH2 ARG A 23 2.951 -0.973 -10.729 1.00 22.32 N ATOM 0 H ARG A 23 -3.035 0.939 -7.176 1.00 3.32 H new ATOM 0 HA ARG A 23 -0.696 2.408 -6.223 1.00 75.13 H new ATOM 0 HB2 ARG A 23 -1.360 0.965 -8.817 1.00 52.42 H new ATOM 0 HB3 ARG A 23 0.168 1.756 -8.483 1.00 52.42 H new ATOM 0 HG2 ARG A 23 0.691 0.227 -6.690 1.00 43.30 H new ATOM 0 HG3 ARG A 23 -0.949 -0.388 -6.632 1.00 43.30 H new ATOM 0 HD2 ARG A 23 0.334 -2.067 -7.749 1.00 40.54 H new ATOM 0 HD3 ARG A 23 -0.609 -1.279 -8.998 1.00 40.54 H new ATOM 0 HE ARG A 23 2.049 -0.107 -8.638 1.00 71.44 H new ATOM 0 HH11 ARG A 23 0.271 -2.716 -10.275 1.00 62.34 H new ATOM 0 HH12 ARG A 23 1.446 -2.819 -11.590 1.00 62.34 H new ATOM 0 HH21 ARG A 23 3.484 -0.221 -10.292 1.00 22.32 H new ATOM 0 HH22 ARG A 23 3.280 -1.393 -11.598 1.00 22.32 H new ATOM 372 N LYS A 24 -3.006 3.867 -7.883 1.00 35.32 N ATOM 373 CA LYS A 24 -3.426 5.202 -8.271 1.00 1.45 C ATOM 374 C LYS A 24 -3.249 6.096 -7.051 1.00 3.11 C ATOM 375 O LYS A 24 -2.409 6.990 -7.044 1.00 35.03 O ATOM 376 CB LYS A 24 -4.890 5.234 -8.740 1.00 15.23 C ATOM 377 CG LYS A 24 -5.284 4.245 -9.842 1.00 61.34 C ATOM 378 CD LYS A 24 -4.872 4.700 -11.246 1.00 24.11 C ATOM 379 CE LYS A 24 -5.651 3.962 -12.344 1.00 60.14 C ATOM 380 NZ LYS A 24 -7.094 4.290 -12.330 1.00 2.55 N ATOM 0 H LYS A 24 -3.779 3.214 -7.752 1.00 35.32 H new ATOM 0 HA LYS A 24 -2.824 5.545 -9.112 1.00 1.45 H new ATOM 0 HB2 LYS A 24 -5.528 5.051 -7.875 1.00 15.23 H new ATOM 0 HB3 LYS A 24 -5.112 6.241 -9.092 1.00 15.23 H new ATOM 0 HG2 LYS A 24 -4.826 3.278 -9.633 1.00 61.34 H new ATOM 0 HG3 LYS A 24 -6.364 4.098 -9.818 1.00 61.34 H new ATOM 0 HD2 LYS A 24 -5.039 5.773 -11.342 1.00 24.11 H new ATOM 0 HD3 LYS A 24 -3.804 4.530 -11.383 1.00 24.11 H new ATOM 0 HE2 LYS A 24 -5.232 4.218 -13.317 1.00 60.14 H new ATOM 0 HE3 LYS A 24 -5.524 2.887 -12.216 1.00 60.14 H new ATOM 0 HZ1 LYS A 24 -7.519 4.027 -13.242 1.00 2.55 H new ATOM 0 HZ2 LYS A 24 -7.562 3.763 -11.565 1.00 2.55 H new ATOM 0 HZ3 LYS A 24 -7.216 5.311 -12.173 1.00 2.55 H new ATOM 394 N GLU A 25 -3.978 5.795 -5.971 1.00 60.22 N ATOM 395 CA GLU A 25 -3.962 6.589 -4.745 1.00 12.32 C ATOM 396 C GLU A 25 -2.546 6.702 -4.163 1.00 24.24 C ATOM 397 O GLU A 25 -2.212 7.682 -3.492 1.00 14.13 O ATOM 398 CB GLU A 25 -4.945 5.992 -3.729 1.00 21.22 C ATOM 399 CG GLU A 25 -6.406 6.375 -4.019 1.00 1.22 C ATOM 400 CD GLU A 25 -6.683 7.866 -3.779 1.00 42.12 C ATOM 401 OE1 GLU A 25 -6.701 8.275 -2.593 1.00 40.13 O ATOM 402 OE2 GLU A 25 -6.872 8.603 -4.778 1.00 14.53 O ATOM 0 H GLU A 25 -4.599 4.987 -5.926 1.00 60.22 H new ATOM 0 HA GLU A 25 -4.282 7.603 -4.983 1.00 12.32 H new ATOM 0 HB2 GLU A 25 -4.851 4.906 -3.734 1.00 21.22 H new ATOM 0 HB3 GLU A 25 -4.677 6.331 -2.728 1.00 21.22 H new ATOM 0 HG2 GLU A 25 -6.645 6.127 -5.053 1.00 1.22 H new ATOM 0 HG3 GLU A 25 -7.066 5.780 -3.388 1.00 1.22 H new ATOM 409 N PHE A 26 -1.677 5.731 -4.455 1.00 24.14 N ATOM 410 CA PHE A 26 -0.281 5.751 -4.058 1.00 43.42 C ATOM 411 C PHE A 26 0.451 7.036 -4.457 1.00 4.34 C ATOM 412 O PHE A 26 1.327 7.472 -3.705 1.00 2.23 O ATOM 413 CB PHE A 26 0.440 4.539 -4.655 1.00 11.52 C ATOM 414 CG PHE A 26 1.775 4.278 -4.002 1.00 44.13 C ATOM 415 CD1 PHE A 26 1.781 3.764 -2.697 1.00 61.30 C ATOM 416 CD2 PHE A 26 2.991 4.585 -4.648 1.00 71.11 C ATOM 417 CE1 PHE A 26 2.992 3.557 -2.033 1.00 1.51 C ATOM 418 CE2 PHE A 26 4.212 4.349 -3.987 1.00 33.11 C ATOM 419 CZ PHE A 26 4.207 3.822 -2.683 1.00 55.13 C ATOM 0 H PHE A 26 -1.936 4.898 -4.983 1.00 24.14 H new ATOM 0 HA PHE A 26 -0.266 5.711 -2.969 1.00 43.42 H new ATOM 0 HB2 PHE A 26 -0.191 3.657 -4.548 1.00 11.52 H new ATOM 0 HB3 PHE A 26 0.587 4.698 -5.723 1.00 11.52 H new ATOM 0 HD1 PHE A 26 0.849 3.528 -2.205 1.00 61.30 H new ATOM 0 HD2 PHE A 26 2.986 4.999 -5.645 1.00 71.11 H new ATOM 0 HE1 PHE A 26 2.993 3.192 -1.017 1.00 1.51 H new ATOM 0 HE2 PHE A 26 5.147 4.572 -4.479 1.00 33.11 H new ATOM 0 HZ PHE A 26 5.141 3.621 -2.180 1.00 55.13 H new ATOM 429 N HIS A 27 0.137 7.621 -5.618 1.00 43.23 N ATOM 430 CA HIS A 27 0.930 8.703 -6.192 1.00 2.23 C ATOM 431 C HIS A 27 0.383 10.098 -5.860 1.00 42.21 C ATOM 432 O HIS A 27 0.917 11.091 -6.372 1.00 0.23 O ATOM 433 CB HIS A 27 1.158 8.454 -7.696 1.00 71.32 C ATOM 434 CG HIS A 27 -0.057 8.408 -8.598 1.00 75.23 C ATOM 435 ND1 HIS A 27 -0.894 9.456 -8.911 1.00 35.23 N ATOM 436 CD2 HIS A 27 -0.451 7.335 -9.356 1.00 51.32 C ATOM 437 CE1 HIS A 27 -1.790 9.014 -9.810 1.00 63.03 C ATOM 438 NE2 HIS A 27 -1.552 7.730 -10.130 1.00 44.23 N ATOM 0 H HIS A 27 -0.671 7.356 -6.181 1.00 43.23 H new ATOM 0 HA HIS A 27 1.910 8.695 -5.715 1.00 2.23 H new ATOM 0 HB2 HIS A 27 1.821 9.235 -8.068 1.00 71.32 H new ATOM 0 HB3 HIS A 27 1.689 7.508 -7.802 1.00 71.32 H new ATOM 0 HD2 HIS A 27 0.007 6.357 -9.357 1.00 51.32 H new ATOM 0 HE1 HIS A 27 -2.592 9.609 -10.220 1.00 63.03 H new ATOM 0 HE2 HIS A 27 -2.068 7.159 -10.800 1.00 44.23 H new ATOM 446 N CYS A 28 -0.667 10.209 -5.037 1.00 34.43 N ATOM 447 CA CYS A 28 -1.345 11.473 -4.733 1.00 51.31 C ATOM 448 C CYS A 28 -1.625 11.664 -3.242 1.00 51.20 C ATOM 449 O CYS A 28 -1.333 12.741 -2.712 1.00 1.15 O ATOM 450 CB CYS A 28 -2.653 11.592 -5.528 1.00 64.32 C ATOM 451 SG CYS A 28 -3.499 9.995 -5.613 1.00 34.42 S ATOM 0 H CYS A 28 -1.076 9.408 -4.556 1.00 34.43 H new ATOM 0 HA CYS A 28 -0.658 12.264 -5.033 1.00 51.31 H new ATOM 0 HB2 CYS A 28 -3.304 12.329 -5.058 1.00 64.32 H new ATOM 0 HB3 CYS A 28 -2.441 11.950 -6.535 1.00 64.32 H new ATOM 0 HG CYS A 28 -2.976 9.180 -4.746 1.00 34.42 H new ATOM 457 N LYS A 29 -2.229 10.680 -2.574 1.00 24.31 N ATOM 458 CA LYS A 29 -2.499 10.704 -1.135 1.00 54.22 C ATOM 459 C LYS A 29 -1.187 10.867 -0.376 1.00 44.41 C ATOM 460 O LYS A 29 -0.191 10.233 -0.745 1.00 12.41 O ATOM 461 CB LYS A 29 -3.266 9.417 -0.796 1.00 52.23 C ATOM 462 CG LYS A 29 -3.220 8.915 0.645 1.00 4.14 C ATOM 463 CD LYS A 29 -1.942 8.147 1.062 1.00 1.24 C ATOM 464 CE LYS A 29 -1.527 7.009 0.129 1.00 61.00 C ATOM 465 NZ LYS A 29 -0.140 6.560 0.391 1.00 25.34 N ATOM 0 H LYS A 29 -2.551 9.825 -3.028 1.00 24.31 H new ATOM 0 HA LYS A 29 -3.117 11.550 -0.836 1.00 54.22 H new ATOM 0 HB2 LYS A 29 -4.312 9.571 -1.063 1.00 52.23 H new ATOM 0 HB3 LYS A 29 -2.887 8.623 -1.439 1.00 52.23 H new ATOM 0 HG2 LYS A 29 -3.337 9.771 1.310 1.00 4.14 H new ATOM 0 HG3 LYS A 29 -4.079 8.264 0.809 1.00 4.14 H new ATOM 0 HD2 LYS A 29 -1.118 8.857 1.130 1.00 1.24 H new ATOM 0 HD3 LYS A 29 -2.094 7.738 2.061 1.00 1.24 H new ATOM 0 HE2 LYS A 29 -2.210 6.169 0.254 1.00 61.00 H new ATOM 0 HE3 LYS A 29 -1.613 7.338 -0.906 1.00 61.00 H new ATOM 0 HZ1 LYS A 29 0.104 5.788 -0.261 1.00 25.34 H new ATOM 0 HZ2 LYS A 29 0.515 7.355 0.247 1.00 25.34 H new ATOM 0 HZ3 LYS A 29 -0.064 6.222 1.372 1.00 25.34 H new ATOM 479 N LYS A 30 -1.199 11.625 0.729 1.00 52.44 N ATOM 480 CA LYS A 30 -0.148 11.546 1.748 1.00 51.50 C ATOM 481 C LYS A 30 -0.538 10.584 2.872 1.00 3.45 C ATOM 482 O LYS A 30 0.321 9.811 3.283 1.00 24.13 O ATOM 483 CB LYS A 30 0.237 12.926 2.300 1.00 70.11 C ATOM 484 CG LYS A 30 -0.949 13.817 2.680 1.00 65.43 C ATOM 485 CD LYS A 30 -0.484 14.938 3.610 1.00 14.05 C ATOM 486 CE LYS A 30 -1.632 15.908 3.903 1.00 24.34 C ATOM 487 NZ LYS A 30 -1.236 16.888 4.933 1.00 24.13 N ATOM 0 H LYS A 30 -1.931 12.304 0.939 1.00 52.44 H new ATOM 0 HA LYS A 30 0.740 11.147 1.257 1.00 51.50 H new ATOM 0 HB2 LYS A 30 0.866 12.788 3.179 1.00 70.11 H new ATOM 0 HB3 LYS A 30 0.840 13.445 1.555 1.00 70.11 H new ATOM 0 HG2 LYS A 30 -1.398 14.241 1.782 1.00 65.43 H new ATOM 0 HG3 LYS A 30 -1.719 13.222 3.171 1.00 65.43 H new ATOM 0 HD2 LYS A 30 -0.113 14.513 4.543 1.00 14.05 H new ATOM 0 HD3 LYS A 30 0.346 15.476 3.152 1.00 14.05 H new ATOM 0 HE2 LYS A 30 -1.917 16.429 2.989 1.00 24.34 H new ATOM 0 HE3 LYS A 30 -2.507 15.352 4.240 1.00 24.34 H new ATOM 0 HZ1 LYS A 30 -2.028 17.537 5.118 1.00 24.13 H new ATOM 0 HZ2 LYS A 30 -0.986 16.388 5.810 1.00 24.13 H new ATOM 0 HZ3 LYS A 30 -0.415 17.431 4.598 1.00 24.13 H new ATOM 501 N TYR A 31 -1.803 10.548 3.301 1.00 24.41 N ATOM 502 CA TYR A 31 -2.317 9.635 4.324 1.00 63.34 C ATOM 503 C TYR A 31 -3.797 9.379 4.053 1.00 50.04 C ATOM 504 O TYR A 31 -4.506 10.297 3.640 1.00 63.44 O ATOM 505 CB TYR A 31 -2.158 10.262 5.715 1.00 11.45 C ATOM 506 CG TYR A 31 -0.762 10.138 6.297 1.00 30.42 C ATOM 507 CD1 TYR A 31 -0.383 8.944 6.937 1.00 72.32 C ATOM 508 CD2 TYR A 31 0.158 11.198 6.197 1.00 54.41 C ATOM 509 CE1 TYR A 31 0.902 8.805 7.485 1.00 54.33 C ATOM 510 CE2 TYR A 31 1.453 11.069 6.731 1.00 64.42 C ATOM 511 CZ TYR A 31 1.825 9.868 7.378 1.00 74.51 C ATOM 512 OH TYR A 31 3.071 9.705 7.897 1.00 41.10 O ATOM 0 H TYR A 31 -2.520 11.174 2.934 1.00 24.41 H new ATOM 0 HA TYR A 31 -1.759 8.699 4.291 1.00 63.34 H new ATOM 0 HB2 TYR A 31 -2.423 11.318 5.658 1.00 11.45 H new ATOM 0 HB3 TYR A 31 -2.867 9.792 6.397 1.00 11.45 H new ATOM 0 HD1 TYR A 31 -1.086 8.127 7.007 1.00 72.32 H new ATOM 0 HD2 TYR A 31 -0.132 12.116 5.707 1.00 54.41 H new ATOM 0 HE1 TYR A 31 1.183 7.890 7.986 1.00 54.33 H new ATOM 0 HE2 TYR A 31 2.159 11.882 6.647 1.00 64.42 H new ATOM 0 HH TYR A 31 3.596 10.519 7.748 1.00 41.10 H new ATOM 522 N LEU A 32 -4.273 8.153 4.281 1.00 30.44 N ATOM 523 CA LEU A 32 -5.699 7.847 4.254 1.00 51.23 C ATOM 524 C LEU A 32 -6.274 8.327 5.569 1.00 10.22 C ATOM 525 O LEU A 32 -5.898 7.809 6.632 1.00 61.22 O ATOM 526 CB LEU A 32 -6.016 6.345 4.090 1.00 44.13 C ATOM 527 CG LEU A 32 -6.013 5.914 2.614 1.00 71.11 C ATOM 528 CD1 LEU A 32 -4.580 5.700 2.160 1.00 44.43 C ATOM 529 CD2 LEU A 32 -6.808 4.625 2.371 1.00 44.41 C ATOM 0 H LEU A 32 -3.681 7.349 4.489 1.00 30.44 H new ATOM 0 HA LEU A 32 -6.135 8.342 3.386 1.00 51.23 H new ATOM 0 HB2 LEU A 32 -5.282 5.757 4.641 1.00 44.13 H new ATOM 0 HB3 LEU A 32 -6.990 6.130 4.529 1.00 44.13 H new ATOM 0 HG LEU A 32 -6.493 6.709 2.044 1.00 71.11 H new ATOM 0 HD11 LEU A 32 -4.572 5.394 1.114 1.00 44.43 H new ATOM 0 HD12 LEU A 32 -4.021 6.629 2.271 1.00 44.43 H new ATOM 0 HD13 LEU A 32 -4.118 4.923 2.769 1.00 44.43 H new ATOM 0 HD21 LEU A 32 -6.771 4.369 1.312 1.00 44.41 H new ATOM 0 HD22 LEU A 32 -6.374 3.814 2.956 1.00 44.41 H new ATOM 0 HD23 LEU A 32 -7.845 4.775 2.672 1.00 44.41 H new ATOM 541 N SER A 33 -7.189 9.285 5.483 1.00 30.11 N ATOM 542 CA SER A 33 -7.992 9.704 6.615 1.00 74.34 C ATOM 543 C SER A 33 -9.029 8.622 6.954 1.00 41.12 C ATOM 544 O SER A 33 -9.062 7.546 6.340 1.00 11.43 O ATOM 545 CB SER A 33 -8.594 11.080 6.319 1.00 24.12 C ATOM 546 OG SER A 33 -7.554 11.981 5.980 1.00 34.14 O ATOM 0 H SER A 33 -7.392 9.792 4.622 1.00 30.11 H new ATOM 0 HA SER A 33 -7.381 9.816 7.511 1.00 74.34 H new ATOM 0 HB2 SER A 33 -9.310 11.008 5.501 1.00 24.12 H new ATOM 0 HB3 SER A 33 -9.139 11.446 7.189 1.00 24.12 H new ATOM 0 HG SER A 33 -7.935 12.863 5.788 1.00 34.14 H new ATOM 552 N LEU A 34 -9.815 8.850 8.006 1.00 10.25 N ATOM 553 CA LEU A 34 -10.701 7.853 8.604 1.00 63.30 C ATOM 554 C LEU A 34 -11.707 7.335 7.577 1.00 70.23 C ATOM 555 O LEU A 34 -11.965 6.132 7.530 1.00 11.32 O ATOM 556 CB LEU A 34 -11.415 8.454 9.829 1.00 23.41 C ATOM 557 CG LEU A 34 -10.602 8.475 11.142 1.00 72.41 C ATOM 558 CD1 LEU A 34 -10.416 7.063 11.711 1.00 32.21 C ATOM 559 CD2 LEU A 34 -9.241 9.173 11.024 1.00 52.14 C ATOM 0 H LEU A 34 -9.854 9.754 8.477 1.00 10.25 H new ATOM 0 HA LEU A 34 -10.104 7.004 8.935 1.00 63.30 H new ATOM 0 HB2 LEU A 34 -11.707 9.476 9.589 1.00 23.41 H new ATOM 0 HB3 LEU A 34 -12.333 7.892 10.002 1.00 23.41 H new ATOM 0 HG LEU A 34 -11.200 9.070 11.832 1.00 72.41 H new ATOM 0 HD11 LEU A 34 -9.840 7.116 12.635 1.00 32.21 H new ATOM 0 HD12 LEU A 34 -11.391 6.622 11.917 1.00 32.21 H new ATOM 0 HD13 LEU A 34 -9.885 6.446 10.987 1.00 32.21 H new ATOM 0 HD21 LEU A 34 -8.733 9.145 11.988 1.00 52.14 H new ATOM 0 HD22 LEU A 34 -8.633 8.661 10.278 1.00 52.14 H new ATOM 0 HD23 LEU A 34 -9.389 10.210 10.722 1.00 52.14 H new ATOM 571 N THR A 35 -12.230 8.229 6.741 1.00 42.04 N ATOM 572 CA THR A 35 -13.146 7.933 5.657 1.00 14.34 C ATOM 573 C THR A 35 -12.447 7.134 4.561 1.00 25.41 C ATOM 574 O THR A 35 -12.890 6.034 4.228 1.00 43.42 O ATOM 575 CB THR A 35 -13.716 9.255 5.139 1.00 70.22 C ATOM 576 OG1 THR A 35 -14.434 9.905 6.167 1.00 3.05 O ATOM 577 CG2 THR A 35 -14.634 9.094 3.941 1.00 14.25 C ATOM 0 H THR A 35 -12.013 9.223 6.809 1.00 42.04 H new ATOM 0 HA THR A 35 -13.967 7.310 6.011 1.00 14.34 H new ATOM 0 HB THR A 35 -12.858 9.846 4.818 1.00 70.22 H new ATOM 0 HG1 THR A 35 -14.795 10.751 5.829 1.00 3.05 H new ATOM 0 HG21 THR A 35 -15.000 10.072 3.629 1.00 14.25 H new ATOM 0 HG22 THR A 35 -14.084 8.634 3.120 1.00 14.25 H new ATOM 0 HG23 THR A 35 -15.478 8.460 4.212 1.00 14.25 H new ATOM 585 N GLU A 36 -11.354 7.676 4.003 1.00 54.00 N ATOM 586 CA GLU A 36 -10.586 7.085 2.897 1.00 33.42 C ATOM 587 C GLU A 36 -10.320 5.605 3.172 1.00 72.24 C ATOM 588 O GLU A 36 -10.560 4.726 2.352 1.00 50.32 O ATOM 589 CB GLU A 36 -9.236 7.828 2.711 1.00 73.42 C ATOM 590 CG GLU A 36 -9.334 9.357 2.636 1.00 42.00 C ATOM 591 CD GLU A 36 -10.200 9.849 1.477 1.00 11.33 C ATOM 592 OE1 GLU A 36 -10.023 9.354 0.345 1.00 33.43 O ATOM 593 OE2 GLU A 36 -11.022 10.770 1.706 1.00 24.34 O ATOM 0 H GLU A 36 -10.968 8.566 4.319 1.00 54.00 H new ATOM 0 HA GLU A 36 -11.173 7.183 1.984 1.00 33.42 H new ATOM 0 HB2 GLU A 36 -8.577 7.563 3.538 1.00 73.42 H new ATOM 0 HB3 GLU A 36 -8.763 7.465 1.798 1.00 73.42 H new ATOM 0 HG2 GLU A 36 -9.744 9.735 3.573 1.00 42.00 H new ATOM 0 HG3 GLU A 36 -8.332 9.774 2.535 1.00 42.00 H new ATOM 600 N ARG A 37 -9.829 5.314 4.374 1.00 23.35 N ATOM 601 CA ARG A 37 -9.432 3.971 4.794 1.00 50.21 C ATOM 602 C ARG A 37 -10.587 2.964 4.772 1.00 34.22 C ATOM 603 O ARG A 37 -10.335 1.762 4.718 1.00 63.14 O ATOM 604 CB ARG A 37 -8.807 4.078 6.191 1.00 43.11 C ATOM 605 CG ARG A 37 -7.819 2.944 6.500 1.00 1.42 C ATOM 606 CD ARG A 37 -7.476 2.929 7.996 1.00 72.41 C ATOM 607 NE ARG A 37 -8.637 2.586 8.843 1.00 41.30 N ATOM 608 CZ ARG A 37 -8.591 2.302 10.148 1.00 2.31 C ATOM 609 NH1 ARG A 37 -7.483 2.508 10.852 1.00 30.43 N ATOM 610 NH2 ARG A 37 -9.663 1.777 10.718 1.00 52.10 N ATOM 0 H ARG A 37 -9.693 6.019 5.099 1.00 23.35 H new ATOM 0 HA ARG A 37 -8.707 3.582 4.079 1.00 50.21 H new ATOM 0 HB2 ARG A 37 -8.292 5.034 6.279 1.00 43.11 H new ATOM 0 HB3 ARG A 37 -9.600 4.074 6.938 1.00 43.11 H new ATOM 0 HG2 ARG A 37 -8.251 1.987 6.210 1.00 1.42 H new ATOM 0 HG3 ARG A 37 -6.910 3.074 5.913 1.00 1.42 H new ATOM 0 HD2 ARG A 37 -6.676 2.210 8.174 1.00 72.41 H new ATOM 0 HD3 ARG A 37 -7.095 3.908 8.287 1.00 72.41 H new ATOM 0 HE ARG A 37 -9.552 2.564 8.393 1.00 41.30 H new ATOM 0 HH11 ARG A 37 -6.653 2.888 10.397 1.00 30.43 H new ATOM 0 HH12 ARG A 37 -7.463 2.286 11.847 1.00 30.43 H new ATOM 0 HH21 ARG A 37 -10.500 1.598 10.163 1.00 52.10 H new ATOM 0 HH22 ARG A 37 -9.653 1.551 11.713 1.00 52.10 H new ATOM 624 N SER A 38 -11.835 3.430 4.826 1.00 5.04 N ATOM 625 CA SER A 38 -13.027 2.611 4.672 1.00 71.42 C ATOM 626 C SER A 38 -13.468 2.578 3.210 1.00 65.14 C ATOM 627 O SER A 38 -13.848 1.518 2.732 1.00 71.51 O ATOM 628 CB SER A 38 -14.138 3.145 5.591 1.00 45.42 C ATOM 629 OG SER A 38 -14.857 2.084 6.196 1.00 62.51 O ATOM 0 H SER A 38 -12.045 4.416 4.983 1.00 5.04 H new ATOM 0 HA SER A 38 -12.806 1.585 4.965 1.00 71.42 H new ATOM 0 HB2 SER A 38 -13.702 3.779 6.363 1.00 45.42 H new ATOM 0 HB3 SER A 38 -14.821 3.769 5.015 1.00 45.42 H new ATOM 0 HG SER A 38 -15.556 2.452 6.776 1.00 62.51 H new ATOM 635 N GLN A 39 -13.422 3.699 2.490 1.00 50.01 N ATOM 636 CA GLN A 39 -13.826 3.780 1.088 1.00 25.55 C ATOM 637 C GLN A 39 -13.006 2.820 0.224 1.00 25.11 C ATOM 638 O GLN A 39 -13.571 1.949 -0.434 1.00 70.54 O ATOM 639 CB GLN A 39 -13.697 5.230 0.609 1.00 73.33 C ATOM 640 CG GLN A 39 -14.819 6.089 1.210 1.00 22.32 C ATOM 641 CD GLN A 39 -14.744 7.578 0.901 1.00 72.21 C ATOM 642 OE1 GLN A 39 -15.723 8.311 1.054 1.00 30.53 O ATOM 643 NE2 GLN A 39 -13.600 8.099 0.506 1.00 13.32 N ATOM 0 H GLN A 39 -13.098 4.588 2.870 1.00 50.01 H new ATOM 0 HA GLN A 39 -14.868 3.474 0.993 1.00 25.55 H new ATOM 0 HB2 GLN A 39 -12.726 5.632 0.900 1.00 73.33 H new ATOM 0 HB3 GLN A 39 -13.744 5.267 -0.479 1.00 73.33 H new ATOM 0 HG2 GLN A 39 -15.775 5.709 0.851 1.00 22.32 H new ATOM 0 HG3 GLN A 39 -14.811 5.960 2.292 1.00 22.32 H new ATOM 0 HE21 GLN A 39 -12.784 7.500 0.377 1.00 13.32 H new ATOM 0 HE22 GLN A 39 -13.530 9.101 0.330 1.00 13.32 H new ATOM 652 N ILE A 40 -11.675 2.908 0.285 1.00 73.23 N ATOM 653 CA ILE A 40 -10.760 2.066 -0.503 1.00 50.51 C ATOM 654 C ILE A 40 -10.830 0.594 -0.069 1.00 32.41 C ATOM 655 O ILE A 40 -10.354 -0.304 -0.753 1.00 72.22 O ATOM 656 CB ILE A 40 -9.328 2.660 -0.409 1.00 45.30 C ATOM 657 CG1 ILE A 40 -9.265 4.157 -0.787 1.00 45.40 C ATOM 658 CG2 ILE A 40 -8.323 1.905 -1.294 1.00 5.24 C ATOM 659 CD1 ILE A 40 -10.014 4.461 -2.080 1.00 62.01 C ATOM 0 H ILE A 40 -11.193 3.573 0.889 1.00 73.23 H new ATOM 0 HA ILE A 40 -11.064 2.070 -1.550 1.00 50.51 H new ATOM 0 HB ILE A 40 -9.057 2.547 0.641 1.00 45.30 H new ATOM 0 HG12 ILE A 40 -9.687 4.752 0.023 1.00 45.40 H new ATOM 0 HG13 ILE A 40 -8.223 4.459 -0.894 1.00 45.40 H new ATOM 0 HG21 ILE A 40 -7.337 2.359 -1.193 1.00 5.24 H new ATOM 0 HG22 ILE A 40 -8.276 0.862 -0.982 1.00 5.24 H new ATOM 0 HG23 ILE A 40 -8.642 1.959 -2.335 1.00 5.24 H new ATOM 0 HD11 ILE A 40 -9.940 5.526 -2.302 1.00 62.01 H new ATOM 0 HD12 ILE A 40 -9.576 3.889 -2.898 1.00 62.01 H new ATOM 0 HD13 ILE A 40 -11.063 4.186 -1.966 1.00 62.01 H new ATOM 671 N ALA A 41 -11.455 0.331 1.071 1.00 25.33 N ATOM 672 CA ALA A 41 -11.686 -1.016 1.570 1.00 4.14 C ATOM 673 C ALA A 41 -12.975 -1.553 0.968 1.00 21.31 C ATOM 674 O ALA A 41 -12.979 -2.596 0.312 1.00 22.13 O ATOM 675 CB ALA A 41 -11.687 -0.992 3.101 1.00 73.11 C ATOM 0 H ALA A 41 -11.821 1.060 1.684 1.00 25.33 H new ATOM 0 HA ALA A 41 -10.889 -1.696 1.268 1.00 4.14 H new ATOM 0 HB1 ALA A 41 -11.860 -1.999 3.481 1.00 73.11 H new ATOM 0 HB2 ALA A 41 -10.724 -0.629 3.460 1.00 73.11 H new ATOM 0 HB3 ALA A 41 -12.478 -0.331 3.454 1.00 73.11 H new ATOM 681 N HIS A 42 -14.065 -0.818 1.166 1.00 74.44 N ATOM 682 CA HIS A 42 -15.397 -1.172 0.723 1.00 52.03 C ATOM 683 C HIS A 42 -15.449 -1.347 -0.789 1.00 52.01 C ATOM 684 O HIS A 42 -16.046 -2.315 -1.265 1.00 52.31 O ATOM 685 CB HIS A 42 -16.363 -0.064 1.156 1.00 23.14 C ATOM 686 CG HIS A 42 -17.803 -0.482 1.092 1.00 50.33 C ATOM 687 ND1 HIS A 42 -18.548 -0.914 2.163 1.00 50.04 N ATOM 688 CD2 HIS A 42 -18.596 -0.515 -0.023 1.00 52.14 C ATOM 689 CE1 HIS A 42 -19.777 -1.196 1.708 1.00 43.34 C ATOM 690 NE2 HIS A 42 -19.853 -0.985 0.380 1.00 64.20 N ATOM 0 H HIS A 42 -14.037 0.074 1.659 1.00 74.44 H new ATOM 0 HA HIS A 42 -15.682 -2.123 1.174 1.00 52.03 H new ATOM 0 HB2 HIS A 42 -16.124 0.241 2.175 1.00 23.14 H new ATOM 0 HB3 HIS A 42 -16.215 0.808 0.519 1.00 23.14 H new ATOM 0 HD2 HIS A 42 -18.307 -0.232 -1.025 1.00 52.14 H new ATOM 0 HE1 HIS A 42 -20.594 -1.545 2.322 1.00 43.34 H new ATOM 0 HE2 HIS A 42 -20.667 -1.138 -0.216 1.00 64.20 H new ATOM 698 N ALA A 43 -14.807 -0.443 -1.538 1.00 32.23 N ATOM 699 CA ALA A 43 -14.775 -0.480 -2.996 1.00 15.25 C ATOM 700 C ALA A 43 -14.270 -1.833 -3.493 1.00 60.30 C ATOM 701 O ALA A 43 -14.774 -2.377 -4.476 1.00 2.33 O ATOM 702 CB ALA A 43 -13.867 0.640 -3.510 1.00 31.13 C ATOM 0 H ALA A 43 -14.291 0.342 -1.140 1.00 32.23 H new ATOM 0 HA ALA A 43 -15.787 -0.336 -3.375 1.00 15.25 H new ATOM 0 HB1 ALA A 43 -13.840 0.616 -4.599 1.00 31.13 H new ATOM 0 HB2 ALA A 43 -14.254 1.603 -3.178 1.00 31.13 H new ATOM 0 HB3 ALA A 43 -12.859 0.500 -3.119 1.00 31.13 H new ATOM 708 N LEU A 44 -13.317 -2.414 -2.764 1.00 45.54 N ATOM 709 CA LEU A 44 -12.580 -3.607 -3.150 1.00 54.11 C ATOM 710 C LEU A 44 -13.039 -4.806 -2.316 1.00 44.51 C ATOM 711 O LEU A 44 -12.435 -5.872 -2.415 1.00 13.34 O ATOM 712 CB LEU A 44 -11.070 -3.347 -3.001 1.00 2.55 C ATOM 713 CG LEU A 44 -10.575 -2.010 -3.591 1.00 44.50 C ATOM 714 CD1 LEU A 44 -9.070 -1.878 -3.360 1.00 75.40 C ATOM 715 CD2 LEU A 44 -10.892 -1.821 -5.079 1.00 31.01 C ATOM 0 H LEU A 44 -13.030 -2.049 -1.856 1.00 45.54 H new ATOM 0 HA LEU A 44 -12.781 -3.844 -4.195 1.00 54.11 H new ATOM 0 HB2 LEU A 44 -10.815 -3.375 -1.942 1.00 2.55 H new ATOM 0 HB3 LEU A 44 -10.528 -4.161 -3.481 1.00 2.55 H new ATOM 0 HG LEU A 44 -11.121 -1.225 -3.069 1.00 44.50 H new ATOM 0 HD11 LEU A 44 -8.719 -0.934 -3.777 1.00 75.40 H new ATOM 0 HD12 LEU A 44 -8.863 -1.902 -2.290 1.00 75.40 H new ATOM 0 HD13 LEU A 44 -8.553 -2.704 -3.848 1.00 75.40 H new ATOM 0 HD21 LEU A 44 -10.510 -0.856 -5.413 1.00 31.01 H new ATOM 0 HD22 LEU A 44 -10.421 -2.617 -5.655 1.00 31.01 H new ATOM 0 HD23 LEU A 44 -11.971 -1.855 -5.228 1.00 31.01 H new ATOM 727 N LYS A 45 -14.087 -4.639 -1.495 1.00 25.05 N ATOM 728 CA LYS A 45 -14.635 -5.618 -0.556 1.00 61.13 C ATOM 729 C LYS A 45 -13.613 -6.168 0.447 1.00 34.22 C ATOM 730 O LYS A 45 -13.851 -7.190 1.101 1.00 21.54 O ATOM 731 CB LYS A 45 -15.392 -6.698 -1.351 1.00 23.03 C ATOM 732 CG LYS A 45 -16.850 -6.257 -1.547 1.00 63.22 C ATOM 733 CD LYS A 45 -17.689 -7.317 -2.263 1.00 62.04 C ATOM 734 CE LYS A 45 -19.094 -6.760 -2.514 1.00 2.32 C ATOM 735 NZ LYS A 45 -20.052 -7.818 -2.885 1.00 34.33 N ATOM 0 H LYS A 45 -14.604 -3.760 -1.471 1.00 25.05 H new ATOM 0 HA LYS A 45 -15.346 -5.112 0.097 1.00 61.13 H new ATOM 0 HB2 LYS A 45 -14.915 -6.855 -2.318 1.00 23.03 H new ATOM 0 HB3 LYS A 45 -15.356 -7.649 -0.820 1.00 23.03 H new ATOM 0 HG2 LYS A 45 -17.295 -6.041 -0.576 1.00 63.22 H new ATOM 0 HG3 LYS A 45 -16.872 -5.331 -2.121 1.00 63.22 H new ATOM 0 HD2 LYS A 45 -17.220 -7.593 -3.207 1.00 62.04 H new ATOM 0 HD3 LYS A 45 -17.746 -8.222 -1.659 1.00 62.04 H new ATOM 0 HE2 LYS A 45 -19.447 -6.250 -1.618 1.00 2.32 H new ATOM 0 HE3 LYS A 45 -19.052 -6.015 -3.309 1.00 2.32 H new ATOM 0 HZ1 LYS A 45 -20.989 -7.397 -3.046 1.00 34.33 H new ATOM 0 HZ2 LYS A 45 -19.730 -8.288 -3.755 1.00 34.33 H new ATOM 0 HZ3 LYS A 45 -20.113 -8.516 -2.116 1.00 34.33 H new ATOM 749 N LEU A 46 -12.490 -5.482 0.623 1.00 14.22 N ATOM 750 CA LEU A 46 -11.459 -5.824 1.594 1.00 70.20 C ATOM 751 C LEU A 46 -11.795 -5.134 2.911 1.00 65.52 C ATOM 752 O LEU A 46 -12.603 -4.212 2.933 1.00 12.34 O ATOM 753 CB LEU A 46 -10.102 -5.361 1.047 1.00 10.23 C ATOM 754 CG LEU A 46 -9.546 -6.343 -0.003 1.00 71.30 C ATOM 755 CD1 LEU A 46 -8.564 -5.611 -0.911 1.00 62.22 C ATOM 756 CD2 LEU A 46 -8.851 -7.536 0.673 1.00 50.20 C ATOM 0 H LEU A 46 -12.266 -4.649 0.079 1.00 14.22 H new ATOM 0 HA LEU A 46 -11.411 -6.899 1.767 1.00 70.20 H new ATOM 0 HB2 LEU A 46 -10.208 -4.372 0.601 1.00 10.23 H new ATOM 0 HB3 LEU A 46 -9.392 -5.266 1.868 1.00 10.23 H new ATOM 0 HG LEU A 46 -10.376 -6.728 -0.596 1.00 71.30 H new ATOM 0 HD11 LEU A 46 -8.170 -6.304 -1.654 1.00 62.22 H new ATOM 0 HD12 LEU A 46 -9.076 -4.791 -1.415 1.00 62.22 H new ATOM 0 HD13 LEU A 46 -7.743 -5.214 -0.314 1.00 62.22 H new ATOM 0 HD21 LEU A 46 -8.468 -8.214 -0.090 1.00 50.20 H new ATOM 0 HD22 LEU A 46 -8.025 -7.176 1.287 1.00 50.20 H new ATOM 0 HD23 LEU A 46 -9.567 -8.065 1.302 1.00 50.20 H new ATOM 768 N SER A 47 -11.188 -5.556 4.019 1.00 52.33 N ATOM 769 CA SER A 47 -11.314 -4.824 5.273 1.00 63.22 C ATOM 770 C SER A 47 -10.399 -3.598 5.255 1.00 10.11 C ATOM 771 O SER A 47 -9.355 -3.601 4.601 1.00 71.51 O ATOM 772 CB SER A 47 -10.950 -5.734 6.453 1.00 31.12 C ATOM 773 OG SER A 47 -12.012 -5.745 7.379 1.00 70.13 O ATOM 0 H SER A 47 -10.609 -6.394 4.072 1.00 52.33 H new ATOM 0 HA SER A 47 -12.347 -4.495 5.388 1.00 63.22 H new ATOM 0 HB2 SER A 47 -10.751 -6.745 6.099 1.00 31.12 H new ATOM 0 HB3 SER A 47 -10.038 -5.379 6.933 1.00 31.12 H new ATOM 0 HG SER A 47 -11.782 -6.327 8.133 1.00 70.13 H new ATOM 779 N GLU A 48 -10.713 -2.599 6.086 1.00 63.24 N ATOM 780 CA GLU A 48 -9.865 -1.421 6.300 1.00 23.13 C ATOM 781 C GLU A 48 -8.442 -1.827 6.664 1.00 2.03 C ATOM 782 O GLU A 48 -7.476 -1.221 6.215 1.00 64.53 O ATOM 783 CB GLU A 48 -10.373 -0.603 7.486 1.00 61.51 C ATOM 784 CG GLU A 48 -11.781 -0.039 7.342 1.00 50.44 C ATOM 785 CD GLU A 48 -12.087 0.714 8.628 1.00 51.33 C ATOM 786 OE1 GLU A 48 -12.609 0.058 9.561 1.00 54.42 O ATOM 787 OE2 GLU A 48 -11.600 1.857 8.788 1.00 54.33 O ATOM 0 H GLU A 48 -11.572 -2.585 6.635 1.00 63.24 H new ATOM 0 HA GLU A 48 -9.890 -0.851 5.371 1.00 23.13 H new ATOM 0 HB2 GLU A 48 -10.342 -1.230 8.377 1.00 61.51 H new ATOM 0 HB3 GLU A 48 -9.685 0.225 7.655 1.00 61.51 H new ATOM 0 HG2 GLU A 48 -11.845 0.626 6.480 1.00 50.44 H new ATOM 0 HG3 GLU A 48 -12.503 -0.839 7.181 1.00 50.44 H new ATOM 794 N VAL A 49 -8.328 -2.855 7.504 1.00 21.54 N ATOM 795 CA VAL A 49 -7.071 -3.364 8.019 1.00 74.34 C ATOM 796 C VAL A 49 -6.217 -3.858 6.852 1.00 22.51 C ATOM 797 O VAL A 49 -5.035 -3.543 6.778 1.00 61.12 O ATOM 798 CB VAL A 49 -7.388 -4.506 9.012 1.00 50.01 C ATOM 799 CG1 VAL A 49 -6.116 -5.031 9.674 1.00 2.44 C ATOM 800 CG2 VAL A 49 -8.393 -4.103 10.106 1.00 51.43 C ATOM 0 H VAL A 49 -9.138 -3.368 7.852 1.00 21.54 H new ATOM 0 HA VAL A 49 -6.511 -2.587 8.540 1.00 74.34 H new ATOM 0 HB VAL A 49 -7.848 -5.291 8.412 1.00 50.01 H new ATOM 0 HG11 VAL A 49 -6.371 -5.833 10.367 1.00 2.44 H new ATOM 0 HG12 VAL A 49 -5.439 -5.413 8.910 1.00 2.44 H new ATOM 0 HG13 VAL A 49 -5.629 -4.222 10.219 1.00 2.44 H new ATOM 0 HG21 VAL A 49 -8.570 -4.951 10.768 1.00 51.43 H new ATOM 0 HG22 VAL A 49 -7.989 -3.271 10.683 1.00 51.43 H new ATOM 0 HG23 VAL A 49 -9.333 -3.801 9.643 1.00 51.43 H new ATOM 810 N GLN A 50 -6.813 -4.604 5.922 1.00 30.35 N ATOM 811 CA GLN A 50 -6.099 -5.096 4.765 1.00 25.43 C ATOM 812 C GLN A 50 -5.526 -3.924 3.976 1.00 1.24 C ATOM 813 O GLN A 50 -4.343 -3.951 3.637 1.00 43.41 O ATOM 814 CB GLN A 50 -7.050 -5.923 3.882 1.00 1.24 C ATOM 815 CG GLN A 50 -7.481 -7.257 4.497 1.00 10.02 C ATOM 816 CD GLN A 50 -6.306 -8.217 4.658 1.00 24.32 C ATOM 817 OE1 GLN A 50 -5.294 -8.115 3.971 1.00 5.11 O ATOM 818 NE2 GLN A 50 -6.406 -9.145 5.581 1.00 45.03 N ATOM 0 H GLN A 50 -7.795 -4.877 5.957 1.00 30.35 H new ATOM 0 HA GLN A 50 -5.277 -5.734 5.090 1.00 25.43 H new ATOM 0 HB2 GLN A 50 -7.939 -5.329 3.671 1.00 1.24 H new ATOM 0 HB3 GLN A 50 -6.563 -6.117 2.927 1.00 1.24 H new ATOM 0 HG2 GLN A 50 -7.938 -7.077 5.470 1.00 10.02 H new ATOM 0 HG3 GLN A 50 -8.242 -7.718 3.867 1.00 10.02 H new ATOM 0 HE21 GLN A 50 -7.254 -9.216 6.143 1.00 45.03 H new ATOM 0 HE22 GLN A 50 -5.636 -9.795 5.736 1.00 45.03 H new ATOM 827 N VAL A 51 -6.344 -2.910 3.686 1.00 31.35 N ATOM 828 CA VAL A 51 -5.912 -1.753 2.919 1.00 2.45 C ATOM 829 C VAL A 51 -4.838 -0.983 3.687 1.00 2.43 C ATOM 830 O VAL A 51 -3.842 -0.579 3.083 1.00 71.31 O ATOM 831 CB VAL A 51 -7.118 -0.868 2.556 1.00 61.40 C ATOM 832 CG1 VAL A 51 -6.697 0.295 1.651 1.00 11.43 C ATOM 833 CG2 VAL A 51 -8.184 -1.674 1.809 1.00 30.45 C ATOM 0 H VAL A 51 -7.321 -2.873 3.978 1.00 31.35 H new ATOM 0 HA VAL A 51 -5.466 -2.087 1.982 1.00 2.45 H new ATOM 0 HB VAL A 51 -7.521 -0.487 3.494 1.00 61.40 H new ATOM 0 HG11 VAL A 51 -7.569 0.903 1.411 1.00 11.43 H new ATOM 0 HG12 VAL A 51 -5.958 0.908 2.167 1.00 11.43 H new ATOM 0 HG13 VAL A 51 -6.264 -0.098 0.731 1.00 11.43 H new ATOM 0 HG21 VAL A 51 -9.025 -1.026 1.564 1.00 30.45 H new ATOM 0 HG22 VAL A 51 -7.758 -2.078 0.891 1.00 30.45 H new ATOM 0 HG23 VAL A 51 -8.529 -2.493 2.440 1.00 30.45 H new ATOM 843 N LYS A 52 -4.991 -0.773 5.004 1.00 65.31 N ATOM 844 CA LYS A 52 -3.996 -0.034 5.776 1.00 13.25 C ATOM 845 C LYS A 52 -2.641 -0.708 5.634 1.00 3.11 C ATOM 846 O LYS A 52 -1.657 -0.014 5.378 1.00 51.11 O ATOM 847 CB LYS A 52 -4.434 0.224 7.230 1.00 50.33 C ATOM 848 CG LYS A 52 -3.949 -0.760 8.297 1.00 72.40 C ATOM 849 CD LYS A 52 -4.318 -0.272 9.699 1.00 43.32 C ATOM 850 CE LYS A 52 -4.435 -1.473 10.641 1.00 25.44 C ATOM 851 NZ LYS A 52 -5.093 -1.088 11.900 1.00 23.51 N ATOM 0 H LYS A 52 -5.789 -1.104 5.547 1.00 65.31 H new ATOM 0 HA LYS A 52 -3.901 0.970 5.363 1.00 13.25 H new ATOM 0 HB2 LYS A 52 -4.095 1.221 7.512 1.00 50.33 H new ATOM 0 HB3 LYS A 52 -5.524 0.239 7.256 1.00 50.33 H new ATOM 0 HG2 LYS A 52 -4.391 -1.740 8.121 1.00 72.40 H new ATOM 0 HG3 LYS A 52 -2.868 -0.880 8.222 1.00 72.40 H new ATOM 0 HD2 LYS A 52 -3.560 0.420 10.066 1.00 43.32 H new ATOM 0 HD3 LYS A 52 -5.261 0.274 9.670 1.00 43.32 H new ATOM 0 HE2 LYS A 52 -5.003 -2.267 10.156 1.00 25.44 H new ATOM 0 HE3 LYS A 52 -3.443 -1.874 10.851 1.00 25.44 H new ATOM 0 HZ1 LYS A 52 -5.162 -1.917 12.524 1.00 23.51 H new ATOM 0 HZ2 LYS A 52 -4.536 -0.347 12.370 1.00 23.51 H new ATOM 0 HZ3 LYS A 52 -6.047 -0.728 11.697 1.00 23.51 H new ATOM 865 N ILE A 53 -2.617 -2.040 5.741 1.00 12.05 N ATOM 866 CA ILE A 53 -1.419 -2.856 5.669 1.00 64.53 C ATOM 867 C ILE A 53 -0.804 -2.772 4.266 1.00 22.35 C ATOM 868 O ILE A 53 0.418 -2.654 4.158 1.00 1.45 O ATOM 869 CB ILE A 53 -1.729 -4.304 6.114 1.00 23.33 C ATOM 870 CG1 ILE A 53 -2.083 -4.321 7.618 1.00 11.32 C ATOM 871 CG2 ILE A 53 -0.527 -5.235 5.856 1.00 14.31 C ATOM 872 CD1 ILE A 53 -2.703 -5.631 8.104 1.00 14.04 C ATOM 0 H ILE A 53 -3.464 -2.590 5.885 1.00 12.05 H new ATOM 0 HA ILE A 53 -0.669 -2.473 6.361 1.00 64.53 H new ATOM 0 HB ILE A 53 -2.575 -4.667 5.530 1.00 23.33 H new ATOM 0 HG12 ILE A 53 -1.179 -4.125 8.194 1.00 11.32 H new ATOM 0 HG13 ILE A 53 -2.776 -3.506 7.825 1.00 11.32 H new ATOM 0 HG21 ILE A 53 -0.774 -6.246 6.179 1.00 14.31 H new ATOM 0 HG22 ILE A 53 -0.293 -5.241 4.791 1.00 14.31 H new ATOM 0 HG23 ILE A 53 0.337 -4.877 6.415 1.00 14.31 H new ATOM 0 HD11 ILE A 53 -2.921 -5.557 9.170 1.00 14.04 H new ATOM 0 HD12 ILE A 53 -3.627 -5.821 7.557 1.00 14.04 H new ATOM 0 HD13 ILE A 53 -2.004 -6.450 7.932 1.00 14.04 H new ATOM 884 N TRP A 54 -1.597 -2.795 3.190 1.00 62.14 N ATOM 885 CA TRP A 54 -1.013 -2.692 1.855 1.00 4.02 C ATOM 886 C TRP A 54 -0.335 -1.337 1.675 1.00 74.21 C ATOM 887 O TRP A 54 0.840 -1.272 1.312 1.00 12.13 O ATOM 888 CB TRP A 54 -2.034 -2.940 0.747 1.00 2.14 C ATOM 889 CG TRP A 54 -1.376 -3.315 -0.544 1.00 13.55 C ATOM 890 CD1 TRP A 54 -1.174 -4.584 -0.945 1.00 32.14 C ATOM 891 CD2 TRP A 54 -0.792 -2.474 -1.590 1.00 53.31 C ATOM 892 NE1 TRP A 54 -0.485 -4.598 -2.130 1.00 72.42 N ATOM 893 CE2 TRP A 54 -0.239 -3.328 -2.591 1.00 4.43 C ATOM 894 CE3 TRP A 54 -0.706 -1.086 -1.830 1.00 54.13 C ATOM 895 CZ2 TRP A 54 0.372 -2.843 -3.755 1.00 14.23 C ATOM 896 CZ3 TRP A 54 -0.109 -0.587 -3.004 1.00 12.34 C ATOM 897 CH2 TRP A 54 0.434 -1.458 -3.959 1.00 32.24 C ATOM 0 H TRP A 54 -2.613 -2.881 3.216 1.00 62.14 H new ATOM 0 HA TRP A 54 -0.263 -3.479 1.771 1.00 4.02 H new ATOM 0 HB2 TRP A 54 -2.715 -3.735 1.052 1.00 2.14 H new ATOM 0 HB3 TRP A 54 -2.636 -2.043 0.601 1.00 2.14 H new ATOM 0 HD1 TRP A 54 -1.506 -5.462 -0.411 1.00 32.14 H new ATOM 0 HE1 TRP A 54 -0.191 -5.448 -2.611 1.00 72.42 H new ATOM 0 HE3 TRP A 54 -1.104 -0.395 -1.102 1.00 54.13 H new ATOM 0 HZ2 TRP A 54 0.788 -3.525 -4.482 1.00 14.23 H new ATOM 0 HZ3 TRP A 54 -0.069 0.479 -3.171 1.00 12.34 H new ATOM 0 HH2 TRP A 54 0.899 -1.062 -4.850 1.00 32.24 H new ATOM 908 N PHE A 55 -1.061 -0.261 1.982 1.00 72.53 N ATOM 909 CA PHE A 55 -0.588 1.100 1.804 1.00 1.43 C ATOM 910 C PHE A 55 0.685 1.379 2.609 1.00 51.20 C ATOM 911 O PHE A 55 1.541 2.117 2.118 1.00 44.42 O ATOM 912 CB PHE A 55 -1.706 2.076 2.176 1.00 1.03 C ATOM 913 CG PHE A 55 -2.618 2.473 1.028 1.00 12.51 C ATOM 914 CD1 PHE A 55 -3.673 1.645 0.607 1.00 63.13 C ATOM 915 CD2 PHE A 55 -2.415 3.702 0.377 1.00 2.23 C ATOM 916 CE1 PHE A 55 -4.543 2.072 -0.409 1.00 33.34 C ATOM 917 CE2 PHE A 55 -3.267 4.112 -0.668 1.00 4.52 C ATOM 918 CZ PHE A 55 -4.346 3.302 -1.047 1.00 45.20 C ATOM 0 H PHE A 55 -2.004 -0.318 2.365 1.00 72.53 H new ATOM 0 HA PHE A 55 -0.323 1.238 0.756 1.00 1.43 H new ATOM 0 HB2 PHE A 55 -2.312 1.628 2.964 1.00 1.03 H new ATOM 0 HB3 PHE A 55 -1.257 2.978 2.593 1.00 1.03 H new ATOM 0 HD1 PHE A 55 -3.815 0.678 1.066 1.00 63.13 H new ATOM 0 HD2 PHE A 55 -1.597 4.339 0.681 1.00 2.23 H new ATOM 0 HE1 PHE A 55 -5.372 1.445 -0.701 1.00 33.34 H new ATOM 0 HE2 PHE A 55 -3.089 5.048 -1.176 1.00 4.52 H new ATOM 0 HZ PHE A 55 -5.021 3.625 -1.826 1.00 45.20 H new ATOM 928 N GLN A 56 0.836 0.829 3.822 1.00 1.32 N ATOM 929 CA GLN A 56 2.085 0.958 4.579 1.00 34.25 C ATOM 930 C GLN A 56 3.218 0.186 3.893 1.00 63.11 C ATOM 931 O GLN A 56 4.306 0.732 3.697 1.00 14.15 O ATOM 932 CB GLN A 56 1.922 0.550 6.068 1.00 61.12 C ATOM 933 CG GLN A 56 1.472 -0.886 6.263 1.00 34.31 C ATOM 934 CD GLN A 56 1.466 -1.463 7.670 1.00 61.33 C ATOM 935 OE1 GLN A 56 2.063 -2.516 7.870 1.00 53.21 O ATOM 936 NE2 GLN A 56 0.768 -0.902 8.637 1.00 2.02 N ATOM 0 H GLN A 56 0.110 0.293 4.297 1.00 1.32 H new ATOM 0 HA GLN A 56 2.354 2.014 4.585 1.00 34.25 H new ATOM 0 HB2 GLN A 56 2.872 0.696 6.581 1.00 61.12 H new ATOM 0 HB3 GLN A 56 1.199 1.215 6.540 1.00 61.12 H new ATOM 0 HG2 GLN A 56 0.461 -0.973 5.866 1.00 34.31 H new ATOM 0 HG3 GLN A 56 2.111 -1.520 5.648 1.00 34.31 H new ATOM 0 HE21 GLN A 56 0.273 -0.027 8.467 1.00 2.02 H new ATOM 0 HE22 GLN A 56 0.723 -1.343 9.555 1.00 2.02 H new ATOM 945 N ASN A 57 2.964 -1.067 3.498 1.00 45.44 N ATOM 946 CA ASN A 57 3.973 -1.989 2.992 1.00 34.12 C ATOM 947 C ASN A 57 4.567 -1.431 1.711 1.00 52.43 C ATOM 948 O ASN A 57 5.760 -1.600 1.440 1.00 33.33 O ATOM 949 CB ASN A 57 3.329 -3.351 2.692 1.00 23.12 C ATOM 950 CG ASN A 57 3.416 -4.341 3.839 1.00 5.14 C ATOM 951 OD1 ASN A 57 4.117 -5.343 3.732 1.00 30.23 O ATOM 952 ND2 ASN A 57 2.723 -4.110 4.940 1.00 34.42 N ATOM 0 H ASN A 57 2.028 -1.472 3.524 1.00 45.44 H new ATOM 0 HA ASN A 57 4.754 -2.112 3.742 1.00 34.12 H new ATOM 0 HB2 ASN A 57 2.280 -3.197 2.437 1.00 23.12 H new ATOM 0 HB3 ASN A 57 3.810 -3.784 1.815 1.00 23.12 H new ATOM 0 HD21 ASN A 57 2.766 -4.769 5.717 1.00 34.42 H new ATOM 0 HD22 ASN A 57 2.145 -3.272 5.013 1.00 34.42 H new ATOM 959 N GLU A 58 3.716 -0.759 0.936 1.00 23.33 N ATOM 960 CA GLU A 58 4.089 -0.180 -0.332 1.00 11.25 C ATOM 961 C GLU A 58 4.794 1.152 -0.118 1.00 25.13 C ATOM 962 O GLU A 58 5.837 1.363 -0.739 1.00 12.54 O ATOM 963 CB GLU A 58 2.852 -0.023 -1.221 1.00 73.24 C ATOM 964 CG GLU A 58 3.259 0.077 -2.702 1.00 13.45 C ATOM 965 CD GLU A 58 3.716 -1.250 -3.325 1.00 42.14 C ATOM 966 OE1 GLU A 58 3.876 -2.273 -2.623 1.00 23.11 O ATOM 967 OE2 GLU A 58 3.982 -1.264 -4.554 1.00 75.03 O ATOM 0 H GLU A 58 2.739 -0.606 1.184 1.00 23.33 H new ATOM 0 HA GLU A 58 4.786 -0.846 -0.839 1.00 11.25 H new ATOM 0 HB2 GLU A 58 2.185 -0.873 -1.078 1.00 73.24 H new ATOM 0 HB3 GLU A 58 2.299 0.870 -0.929 1.00 73.24 H new ATOM 0 HG2 GLU A 58 2.414 0.461 -3.273 1.00 13.45 H new ATOM 0 HG3 GLU A 58 4.064 0.805 -2.797 1.00 13.45 H new ATOM 974 N ARG A 59 4.288 2.038 0.765 1.00 51.32 N ATOM 975 CA ARG A 59 4.972 3.319 0.987 1.00 13.45 C ATOM 976 C ARG A 59 6.398 3.053 1.442 1.00 21.35 C ATOM 977 O ARG A 59 7.316 3.720 0.969 1.00 10.13 O ATOM 978 CB ARG A 59 4.239 4.279 1.953 1.00 71.24 C ATOM 979 CG ARG A 59 4.063 5.671 1.320 1.00 21.04 C ATOM 980 CD ARG A 59 3.669 6.754 2.336 1.00 25.31 C ATOM 981 NE ARG A 59 3.602 8.078 1.693 1.00 50.22 N ATOM 982 CZ ARG A 59 3.395 9.264 2.279 1.00 32.14 C ATOM 983 NH1 ARG A 59 3.154 9.353 3.584 1.00 3.43 N ATOM 984 NH2 ARG A 59 3.432 10.364 1.541 1.00 44.52 N ATOM 0 H ARG A 59 3.441 1.895 1.315 1.00 51.32 H new ATOM 0 HA ARG A 59 4.974 3.845 0.033 1.00 13.45 H new ATOM 0 HB2 ARG A 59 3.263 3.867 2.210 1.00 71.24 H new ATOM 0 HB3 ARG A 59 4.803 4.367 2.882 1.00 71.24 H new ATOM 0 HG2 ARG A 59 4.994 5.961 0.832 1.00 21.04 H new ATOM 0 HG3 ARG A 59 3.300 5.616 0.544 1.00 21.04 H new ATOM 0 HD2 ARG A 59 2.703 6.510 2.777 1.00 25.31 H new ATOM 0 HD3 ARG A 59 4.394 6.776 3.149 1.00 25.31 H new ATOM 0 HE ARG A 59 3.728 8.093 0.681 1.00 50.22 H new ATOM 0 HH11 ARG A 59 3.125 8.509 4.156 1.00 3.43 H new ATOM 0 HH12 ARG A 59 2.999 10.265 4.013 1.00 3.43 H new ATOM 0 HH21 ARG A 59 3.616 10.300 0.540 1.00 44.52 H new ATOM 0 HH22 ARG A 59 3.276 11.274 1.974 1.00 44.52 H new ATOM 998 N ALA A 60 6.554 2.038 2.289 1.00 33.45 N ATOM 999 CA ALA A 60 7.806 1.589 2.853 1.00 23.12 C ATOM 1000 C ALA A 60 8.736 1.049 1.771 1.00 51.22 C ATOM 1001 O ALA A 60 9.882 1.495 1.694 1.00 61.42 O ATOM 1002 CB ALA A 60 7.499 0.535 3.916 1.00 42.32 C ATOM 0 H ALA A 60 5.762 1.483 2.612 1.00 33.45 H new ATOM 0 HA ALA A 60 8.329 2.426 3.315 1.00 23.12 H new ATOM 0 HB1 ALA A 60 8.431 0.181 4.357 1.00 42.32 H new ATOM 0 HB2 ALA A 60 6.874 0.974 4.694 1.00 42.32 H new ATOM 0 HB3 ALA A 60 6.973 -0.302 3.457 1.00 42.32 H new ATOM 1008 N LYS A 61 8.272 0.118 0.919 1.00 51.11 N ATOM 1009 CA LYS A 61 9.155 -0.400 -0.122 1.00 62.23 C ATOM 1010 C LYS A 61 9.542 0.719 -1.066 1.00 2.42 C ATOM 1011 O LYS A 61 10.711 0.822 -1.394 1.00 64.01 O ATOM 1012 CB LYS A 61 8.630 -1.652 -0.842 1.00 11.53 C ATOM 1013 CG LYS A 61 7.865 -1.429 -2.156 1.00 52.44 C ATOM 1014 CD LYS A 61 7.830 -2.738 -2.941 1.00 40.32 C ATOM 1015 CE LYS A 61 7.125 -2.521 -4.278 1.00 21.25 C ATOM 1016 NZ LYS A 61 7.495 -3.529 -5.294 1.00 73.33 N ATOM 0 H LYS A 61 7.330 -0.273 0.932 1.00 51.11 H new ATOM 0 HA LYS A 61 10.056 -0.764 0.372 1.00 62.23 H new ATOM 0 HB2 LYS A 61 9.478 -2.304 -1.050 1.00 11.53 H new ATOM 0 HB3 LYS A 61 7.975 -2.189 -0.155 1.00 11.53 H new ATOM 0 HG2 LYS A 61 6.851 -1.088 -1.948 1.00 52.44 H new ATOM 0 HG3 LYS A 61 8.349 -0.650 -2.745 1.00 52.44 H new ATOM 0 HD2 LYS A 61 8.845 -3.099 -3.109 1.00 40.32 H new ATOM 0 HD3 LYS A 61 7.310 -3.504 -2.366 1.00 40.32 H new ATOM 0 HE2 LYS A 61 6.046 -2.548 -4.123 1.00 21.25 H new ATOM 0 HE3 LYS A 61 7.368 -1.527 -4.654 1.00 21.25 H new ATOM 0 HZ1 LYS A 61 6.987 -3.332 -6.180 1.00 73.33 H new ATOM 0 HZ2 LYS A 61 8.520 -3.488 -5.466 1.00 73.33 H new ATOM 0 HZ3 LYS A 61 7.239 -4.477 -4.952 1.00 73.33 H new ATOM 1030 N TRP A 62 8.609 1.577 -1.480 1.00 43.42 N ATOM 1031 CA TRP A 62 8.967 2.647 -2.394 1.00 44.23 C ATOM 1032 C TRP A 62 9.963 3.593 -1.712 1.00 33.13 C ATOM 1033 O TRP A 62 10.925 4.011 -2.346 1.00 54.51 O ATOM 1034 CB TRP A 62 7.715 3.336 -2.945 1.00 35.13 C ATOM 1035 CG TRP A 62 7.914 3.991 -4.282 1.00 63.23 C ATOM 1036 CD1 TRP A 62 7.476 3.509 -5.468 1.00 14.32 C ATOM 1037 CD2 TRP A 62 8.721 5.158 -4.617 1.00 53.30 C ATOM 1038 NE1 TRP A 62 7.975 4.279 -6.501 1.00 52.40 N ATOM 1039 CE2 TRP A 62 8.829 5.257 -6.035 1.00 32.35 C ATOM 1040 CE3 TRP A 62 9.439 6.094 -3.853 1.00 54.20 C ATOM 1041 CZ2 TRP A 62 9.690 6.175 -6.659 1.00 1.12 C ATOM 1042 CZ3 TRP A 62 10.334 6.995 -4.457 1.00 41.52 C ATOM 1043 CH2 TRP A 62 10.478 7.022 -5.856 1.00 73.04 C ATOM 0 H TRP A 62 7.628 1.550 -1.203 1.00 43.42 H new ATOM 0 HA TRP A 62 9.475 2.243 -3.270 1.00 44.23 H new ATOM 0 HB2 TRP A 62 6.915 2.600 -3.028 1.00 35.13 H new ATOM 0 HB3 TRP A 62 7.383 4.088 -2.230 1.00 35.13 H new ATOM 0 HD1 TRP A 62 6.832 2.650 -5.589 1.00 14.32 H new ATOM 0 HE1 TRP A 62 7.741 4.142 -7.484 1.00 52.40 H new ATOM 0 HE3 TRP A 62 9.301 6.122 -2.782 1.00 54.20 H new ATOM 0 HZ2 TRP A 62 9.747 6.230 -7.736 1.00 1.12 H new ATOM 0 HZ3 TRP A 62 10.913 7.669 -3.844 1.00 41.52 H new ATOM 0 HH2 TRP A 62 11.192 7.691 -6.314 1.00 73.04 H new ATOM 1054 N LYS A 63 9.810 3.873 -0.408 1.00 50.23 N ATOM 1055 CA LYS A 63 10.792 4.675 0.318 1.00 11.42 C ATOM 1056 C LYS A 63 12.199 4.092 0.223 1.00 12.33 C ATOM 1057 O LYS A 63 13.122 4.885 0.098 1.00 33.25 O ATOM 1058 CB LYS A 63 10.408 4.866 1.794 1.00 72.24 C ATOM 1059 CG LYS A 63 9.493 6.072 2.065 1.00 11.34 C ATOM 1060 CD LYS A 63 9.955 6.835 3.316 1.00 30.13 C ATOM 1061 CE LYS A 63 11.104 7.794 2.957 1.00 11.54 C ATOM 1062 NZ LYS A 63 11.952 8.120 4.125 1.00 73.54 N ATOM 0 H LYS A 63 9.021 3.557 0.156 1.00 50.23 H new ATOM 0 HA LYS A 63 10.792 5.651 -0.167 1.00 11.42 H new ATOM 0 HB2 LYS A 63 9.911 3.962 2.147 1.00 72.24 H new ATOM 0 HB3 LYS A 63 11.319 4.978 2.382 1.00 72.24 H new ATOM 0 HG2 LYS A 63 9.498 6.740 1.203 1.00 11.34 H new ATOM 0 HG3 LYS A 63 8.466 5.733 2.199 1.00 11.34 H new ATOM 0 HD2 LYS A 63 9.121 7.396 3.738 1.00 30.13 H new ATOM 0 HD3 LYS A 63 10.284 6.131 4.080 1.00 30.13 H new ATOM 0 HE2 LYS A 63 11.720 7.344 2.179 1.00 11.54 H new ATOM 0 HE3 LYS A 63 10.690 8.714 2.544 1.00 11.54 H new ATOM 0 HZ1 LYS A 63 12.711 8.768 3.833 1.00 73.54 H new ATOM 0 HZ2 LYS A 63 11.372 8.574 4.859 1.00 73.54 H new ATOM 0 HZ3 LYS A 63 12.370 7.247 4.505 1.00 73.54 H new ATOM 1076 N ARG A 64 12.402 2.770 0.256 1.00 34.15 N ATOM 1077 CA ARG A 64 13.763 2.217 0.172 1.00 12.35 C ATOM 1078 C ARG A 64 14.449 2.533 -1.163 1.00 25.24 C ATOM 1079 O ARG A 64 15.673 2.546 -1.240 1.00 12.12 O ATOM 1080 CB ARG A 64 13.790 0.747 0.598 1.00 64.12 C ATOM 1081 CG ARG A 64 13.692 -0.214 -0.575 1.00 2.35 C ATOM 1082 CD ARG A 64 13.442 -1.657 -0.102 1.00 1.32 C ATOM 1083 NE ARG A 64 13.117 -2.583 -1.203 1.00 23.35 N ATOM 1084 CZ ARG A 64 13.959 -3.025 -2.148 1.00 13.13 C ATOM 1085 NH1 ARG A 64 15.228 -2.621 -2.174 1.00 50.10 N ATOM 1086 NH2 ARG A 64 13.523 -3.882 -3.069 1.00 61.00 N ATOM 0 H ARG A 64 11.661 2.074 0.338 1.00 34.15 H new ATOM 0 HA ARG A 64 14.389 2.732 0.900 1.00 12.35 H new ATOM 0 HB2 ARG A 64 14.712 0.550 1.146 1.00 64.12 H new ATOM 0 HB3 ARG A 64 12.965 0.558 1.285 1.00 64.12 H new ATOM 0 HG2 ARG A 64 12.884 0.098 -1.236 1.00 2.35 H new ATOM 0 HG3 ARG A 64 14.613 -0.175 -1.157 1.00 2.35 H new ATOM 0 HD2 ARG A 64 14.328 -2.020 0.419 1.00 1.32 H new ATOM 0 HD3 ARG A 64 12.624 -1.659 0.619 1.00 1.32 H new ATOM 0 HE ARG A 64 12.156 -2.921 -1.250 1.00 23.35 H new ATOM 0 HH11 ARG A 64 15.570 -1.968 -1.469 1.00 50.10 H new ATOM 0 HH12 ARG A 64 15.858 -2.965 -2.899 1.00 50.10 H new ATOM 0 HH21 ARG A 64 12.553 -4.198 -3.053 1.00 61.00 H new ATOM 0 HH22 ARG A 64 14.159 -4.222 -3.791 1.00 61.00 H new ATOM 1100 N ILE A 65 13.664 2.816 -2.198 1.00 62.02 N ATOM 1101 CA ILE A 65 14.129 3.206 -3.535 1.00 33.12 C ATOM 1102 C ILE A 65 14.616 4.669 -3.552 1.00 44.34 C ATOM 1103 O ILE A 65 15.243 5.092 -4.525 1.00 41.52 O ATOM 1104 CB ILE A 65 13.036 2.950 -4.613 1.00 21.04 C ATOM 1105 CG1 ILE A 65 12.297 1.613 -4.364 1.00 2.55 C ATOM 1106 CG2 ILE A 65 13.661 2.945 -6.023 1.00 22.23 C ATOM 1107 CD1 ILE A 65 11.213 1.247 -5.380 1.00 72.13 C ATOM 0 H ILE A 65 12.647 2.780 -2.131 1.00 62.02 H new ATOM 0 HA ILE A 65 14.983 2.576 -3.786 1.00 33.12 H new ATOM 0 HB ILE A 65 12.310 3.760 -4.543 1.00 21.04 H new ATOM 0 HG12 ILE A 65 13.035 0.811 -4.345 1.00 2.55 H new ATOM 0 HG13 ILE A 65 11.842 1.651 -3.374 1.00 2.55 H new ATOM 0 HG21 ILE A 65 12.883 2.765 -6.765 1.00 22.23 H new ATOM 0 HG22 ILE A 65 14.130 3.910 -6.216 1.00 22.23 H new ATOM 0 HG23 ILE A 65 14.412 2.157 -6.085 1.00 22.23 H new ATOM 0 HD11 ILE A 65 10.764 0.292 -5.105 1.00 72.13 H new ATOM 0 HD12 ILE A 65 10.445 2.020 -5.387 1.00 72.13 H new ATOM 0 HD13 ILE A 65 11.657 1.167 -6.372 1.00 72.13 H new ATOM 1119 N LYS A 66 14.384 5.464 -2.499 1.00 33.14 N ATOM 1120 CA LYS A 66 15.026 6.771 -2.321 1.00 64.00 C ATOM 1121 C LYS A 66 16.522 6.550 -2.052 1.00 55.11 C ATOM 1122 O LYS A 66 16.980 6.778 -0.945 1.00 52.11 O ATOM 1123 CB LYS A 66 14.364 7.563 -1.166 1.00 61.21 C ATOM 1124 CG LYS A 66 12.935 8.063 -1.442 1.00 31.21 C ATOM 1125 CD LYS A 66 12.914 9.291 -2.363 1.00 71.01 C ATOM 1126 CE LYS A 66 13.510 10.538 -1.684 1.00 73.44 C ATOM 1127 NZ LYS A 66 12.487 11.552 -1.357 1.00 55.12 N ATOM 0 H LYS A 66 13.743 5.217 -1.745 1.00 33.14 H new ATOM 0 HA LYS A 66 14.902 7.364 -3.227 1.00 64.00 H new ATOM 0 HB2 LYS A 66 14.344 6.930 -0.279 1.00 61.21 H new ATOM 0 HB3 LYS A 66 14.992 8.422 -0.931 1.00 61.21 H new ATOM 0 HG2 LYS A 66 12.354 7.261 -1.897 1.00 31.21 H new ATOM 0 HG3 LYS A 66 12.451 8.312 -0.498 1.00 31.21 H new ATOM 0 HD2 LYS A 66 13.475 9.071 -3.271 1.00 71.01 H new ATOM 0 HD3 LYS A 66 11.887 9.499 -2.665 1.00 71.01 H new ATOM 0 HE2 LYS A 66 14.024 10.239 -0.771 1.00 73.44 H new ATOM 0 HE3 LYS A 66 14.259 10.981 -2.341 1.00 73.44 H new ATOM 0 HZ1 LYS A 66 12.941 12.370 -0.902 1.00 55.12 H new ATOM 0 HZ2 LYS A 66 12.013 11.861 -2.230 1.00 55.12 H new ATOM 0 HZ3 LYS A 66 11.786 11.141 -0.708 1.00 55.12 H new ATOM 1141 N ALA A 67 17.296 6.118 -3.045 1.00 61.33 N ATOM 1142 CA ALA A 67 18.687 5.733 -2.845 1.00 4.14 C ATOM 1143 C ALA A 67 19.576 6.910 -2.443 1.00 3.35 C ATOM 1144 O ALA A 67 20.616 6.712 -1.817 1.00 4.45 O ATOM 1145 CB ALA A 67 19.227 5.062 -4.099 1.00 33.15 C ATOM 0 H ALA A 67 16.975 6.026 -4.009 1.00 61.33 H new ATOM 0 HA ALA A 67 18.709 5.028 -2.014 1.00 4.14 H new ATOM 0 HB1 ALA A 67 20.267 4.778 -3.940 1.00 33.15 H new ATOM 0 HB2 ALA A 67 18.637 4.172 -4.318 1.00 33.15 H new ATOM 0 HB3 ALA A 67 19.164 5.755 -4.938 1.00 33.15 H new ATOM 1151 N GLY A 68 19.177 8.141 -2.762 1.00 34.21 N ATOM 1152 CA GLY A 68 19.821 9.339 -2.258 1.00 60.00 C ATOM 1153 C GLY A 68 19.273 9.690 -0.880 1.00 0.15 C ATOM 1154 O GLY A 68 18.783 10.807 -0.696 1.00 63.21 O ATOM 0 H GLY A 68 18.390 8.329 -3.383 1.00 34.21 H new ATOM 0 HA2 GLY A 68 20.899 9.185 -2.201 1.00 60.00 H new ATOM 0 HA3 GLY A 68 19.654 10.168 -2.946 1.00 60.00 H new ATOM 1158 N ASN A 69 19.293 8.760 0.079 1.00 21.35 N ATOM 1159 CA ASN A 69 18.965 9.020 1.487 1.00 30.25 C ATOM 1160 C ASN A 69 19.949 8.361 2.451 1.00 24.44 C ATOM 1161 O ASN A 69 19.723 8.358 3.662 1.00 73.12 O ATOM 1162 CB ASN A 69 17.492 8.663 1.798 1.00 63.10 C ATOM 1163 CG ASN A 69 16.640 9.887 2.124 1.00 3.12 C ATOM 1164 OD1 ASN A 69 15.809 9.874 3.032 1.00 73.31 O ATOM 1165 ND2 ASN A 69 16.754 10.945 1.337 1.00 54.52 N ATOM 0 H ASN A 69 19.542 7.788 -0.103 1.00 21.35 H new ATOM 0 HA ASN A 69 19.073 10.093 1.648 1.00 30.25 H new ATOM 0 HB2 ASN A 69 17.061 8.144 0.942 1.00 63.10 H new ATOM 0 HB3 ASN A 69 17.461 7.971 2.639 1.00 63.10 H new ATOM 0 HD21 ASN A 69 16.151 11.755 1.481 1.00 54.52 H new ATOM 0 HD22 ASN A 69 17.444 10.950 0.586 1.00 54.52 H new ATOM 1172 N VAL A 70 21.053 7.840 1.908 1.00 44.44 N ATOM 1173 CA VAL A 70 22.182 7.222 2.600 1.00 10.32 C ATOM 1174 C VAL A 70 21.700 6.264 3.700 1.00 14.15 C ATOM 1175 O VAL A 70 22.028 6.434 4.881 1.00 53.41 O ATOM 1176 CB VAL A 70 23.227 8.291 3.015 1.00 45.42 C ATOM 1177 CG1 VAL A 70 23.859 8.914 1.760 1.00 42.50 C ATOM 1178 CG2 VAL A 70 22.711 9.455 3.878 1.00 41.52 C ATOM 0 H VAL A 70 21.189 7.841 0.897 1.00 44.44 H new ATOM 0 HA VAL A 70 22.732 6.571 1.920 1.00 10.32 H new ATOM 0 HB VAL A 70 23.932 7.733 3.632 1.00 45.42 H new ATOM 0 HG11 VAL A 70 24.592 9.664 2.056 1.00 42.50 H new ATOM 0 HG12 VAL A 70 24.351 8.136 1.176 1.00 42.50 H new ATOM 0 HG13 VAL A 70 23.082 9.384 1.157 1.00 42.50 H new ATOM 0 HG21 VAL A 70 23.534 10.134 4.102 1.00 41.52 H new ATOM 0 HG22 VAL A 70 21.934 9.993 3.336 1.00 41.52 H new ATOM 0 HG23 VAL A 70 22.300 9.064 4.808 1.00 41.52 H new ATOM 1188 N SER A 71 20.858 5.289 3.337 1.00 1.42 N ATOM 1189 CA SER A 71 20.097 4.483 4.278 1.00 24.31 C ATOM 1190 C SER A 71 20.392 3.001 4.093 1.00 51.33 C ATOM 1191 O SER A 71 21.072 2.449 4.987 1.00 61.43 O ATOM 1192 CB SER A 71 18.617 4.895 4.264 1.00 70.33 C ATOM 1193 OG SER A 71 17.980 4.792 3.000 1.00 24.35 O ATOM 0 H SER A 71 20.689 5.040 2.362 1.00 1.42 H new ATOM 0 HA SER A 71 20.420 4.681 5.300 1.00 24.31 H new ATOM 0 HB2 SER A 71 18.076 4.275 4.979 1.00 70.33 H new ATOM 0 HB3 SER A 71 18.538 5.925 4.611 1.00 70.33 H new ATOM 0 HG SER A 71 17.044 5.071 3.082 1.00 24.35 H new TER 1199 SER A 71