USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 680 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 78 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 MET CE :methyl -120:sc= -0.55 (180deg=-0.503) USER MOD Set 2.2: A 28 GLN : amide:sc= -0.134 X(o=-0.68,f=-0.65) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0858 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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 150:sc= -0.0495 (180deg=-1.18) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -1.51 F(o=-2.2,f=-1.5) USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0163) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc=-0.00941 (180deg=-0.139) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.0442 K(o=-0.044,f=-2.2) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= -0.479 (180deg=-1.14) USER MOD Single : A 52 CYS SG : rot 144:sc= 0.767 USER MOD Single : A 53 SER OG : rot -74:sc= 0.327 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -18:sc= -0.625 USER MOD Single : A 59 MET CE :methyl -164:sc= -0.107 (180deg=-0.197) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 69:sc= 1.25 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= -0.935 (180deg=-0.935) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -155:sc= -0.104 (180deg=-0.587) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.251 -3.918 20.170 1.00 0.00 N ATOM 2 CA GLY A 1 12.263 -4.885 19.088 1.00 0.00 C ATOM 3 C GLY A 1 11.669 -6.219 19.495 1.00 0.00 C ATOM 4 O GLY A 1 12.197 -6.898 20.375 1.00 0.00 O ATOM 0 H1 GLY A 1 12.667 -3.024 19.841 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.271 -3.752 20.476 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.806 -4.285 20.969 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.704 -4.485 18.242 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.289 -5.035 18.751 1.00 0.00 H new ATOM 8 N SER A 2 10.566 -6.594 18.855 1.00 0.00 N ATOM 9 CA SER A 2 9.896 -7.853 19.160 1.00 0.00 C ATOM 10 C SER A 2 10.368 -8.960 18.221 1.00 0.00 C ATOM 11 O SER A 2 10.752 -10.042 18.664 1.00 0.00 O ATOM 12 CB SER A 2 8.380 -7.687 19.050 1.00 0.00 C ATOM 13 OG SER A 2 8.012 -7.177 17.780 1.00 0.00 O ATOM 0 H SER A 2 10.117 -6.044 18.122 1.00 0.00 H new ATOM 0 HA SER A 2 10.150 -8.134 20.182 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.893 -8.648 19.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.027 -7.014 19.831 1.00 0.00 H new ATOM 0 HG SER A 2 7.038 -7.082 17.735 1.00 0.00 H new ATOM 19 N SER A 3 10.334 -8.680 16.922 1.00 0.00 N ATOM 20 CA SER A 3 10.754 -9.652 15.920 1.00 0.00 C ATOM 21 C SER A 3 12.259 -9.893 15.993 1.00 0.00 C ATOM 22 O SER A 3 12.711 -11.028 16.133 1.00 0.00 O ATOM 23 CB SER A 3 10.370 -9.171 14.520 1.00 0.00 C ATOM 24 OG SER A 3 10.893 -7.879 14.263 1.00 0.00 O ATOM 0 H SER A 3 10.020 -7.788 16.539 1.00 0.00 H new ATOM 0 HA SER A 3 10.243 -10.593 16.126 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.745 -9.873 13.775 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.284 -9.153 14.423 1.00 0.00 H new ATOM 0 HG SER A 3 10.635 -7.595 13.361 1.00 0.00 H new ATOM 30 N GLY A 4 13.030 -8.814 15.896 1.00 0.00 N ATOM 31 CA GLY A 4 14.475 -8.927 15.952 1.00 0.00 C ATOM 32 C GLY A 4 15.174 -7.842 15.158 1.00 0.00 C ATOM 33 O GLY A 4 14.955 -6.654 15.391 1.00 0.00 O ATOM 0 H GLY A 4 12.679 -7.863 15.780 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.800 -8.878 16.991 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.775 -9.903 15.570 1.00 0.00 H new ATOM 37 N SER A 5 16.018 -8.251 14.216 1.00 0.00 N ATOM 38 CA SER A 5 16.756 -7.304 13.388 1.00 0.00 C ATOM 39 C SER A 5 15.927 -6.879 12.180 1.00 0.00 C ATOM 40 O SER A 5 15.986 -7.504 11.121 1.00 0.00 O ATOM 41 CB SER A 5 18.076 -7.922 12.923 1.00 0.00 C ATOM 42 OG SER A 5 18.886 -6.960 12.269 1.00 0.00 O ATOM 0 H SER A 5 16.208 -9.231 14.007 1.00 0.00 H new ATOM 0 HA SER A 5 16.969 -6.421 13.990 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.612 -8.331 13.780 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.874 -8.753 12.247 1.00 0.00 H new ATOM 0 HG SER A 5 19.724 -7.379 11.983 1.00 0.00 H new ATOM 48 N SER A 6 15.154 -5.811 12.347 1.00 0.00 N ATOM 49 CA SER A 6 14.309 -5.303 11.272 1.00 0.00 C ATOM 50 C SER A 6 15.153 -4.668 10.171 1.00 0.00 C ATOM 51 O SER A 6 16.043 -3.864 10.442 1.00 0.00 O ATOM 52 CB SER A 6 13.311 -4.281 11.819 1.00 0.00 C ATOM 53 OG SER A 6 12.358 -3.921 10.834 1.00 0.00 O ATOM 0 H SER A 6 15.095 -5.281 13.216 1.00 0.00 H new ATOM 0 HA SER A 6 13.761 -6.143 10.846 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.801 -4.696 12.689 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.844 -3.392 12.156 1.00 0.00 H new ATOM 0 HG SER A 6 11.731 -3.268 11.209 1.00 0.00 H new ATOM 59 N GLY A 7 14.866 -5.037 8.926 1.00 0.00 N ATOM 60 CA GLY A 7 15.607 -4.495 7.802 1.00 0.00 C ATOM 61 C GLY A 7 14.878 -4.677 6.486 1.00 0.00 C ATOM 62 O GLY A 7 13.747 -5.161 6.457 1.00 0.00 O ATOM 0 H GLY A 7 14.134 -5.702 8.676 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.790 -3.433 7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.581 -4.981 7.745 1.00 0.00 H new ATOM 66 N MET A 8 15.527 -4.288 5.393 1.00 0.00 N ATOM 67 CA MET A 8 14.933 -4.411 4.067 1.00 0.00 C ATOM 68 C MET A 8 14.300 -5.786 3.880 1.00 0.00 C ATOM 69 O MET A 8 13.122 -5.897 3.544 1.00 0.00 O ATOM 70 CB MET A 8 15.990 -4.172 2.987 1.00 0.00 C ATOM 71 CG MET A 8 16.533 -2.752 2.972 1.00 0.00 C ATOM 72 SD MET A 8 17.573 -2.422 1.537 1.00 0.00 S ATOM 73 CE MET A 8 16.333 -2.090 0.288 1.00 0.00 C ATOM 0 H MET A 8 16.464 -3.885 5.400 1.00 0.00 H new ATOM 0 HA MET A 8 14.152 -3.656 3.975 1.00 0.00 H new ATOM 0 HB2 MET A 8 16.816 -4.867 3.139 1.00 0.00 H new ATOM 0 HB3 MET A 8 15.559 -4.398 2.012 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.700 -2.049 2.982 1.00 0.00 H new ATOM 0 HG3 MET A 8 17.109 -2.578 3.881 1.00 0.00 H new ATOM 0 HE1 MET A 8 16.822 -1.868 -0.660 1.00 0.00 H new ATOM 0 HE2 MET A 8 15.692 -2.964 0.170 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.729 -1.236 0.593 1.00 0.00 H new ATOM 83 N ALA A 9 15.091 -6.831 4.100 1.00 0.00 N ATOM 84 CA ALA A 9 14.608 -8.199 3.958 1.00 0.00 C ATOM 85 C ALA A 9 13.490 -8.493 4.953 1.00 0.00 C ATOM 86 O ALA A 9 13.745 -8.912 6.082 1.00 0.00 O ATOM 87 CB ALA A 9 15.752 -9.185 4.140 1.00 0.00 C ATOM 0 H ALA A 9 16.070 -6.756 4.377 1.00 0.00 H new ATOM 0 HA ALA A 9 14.203 -8.312 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 9 15.376 -10.202 4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.517 -8.998 3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.184 -9.062 5.133 1.00 0.00 H new ATOM 93 N LYS A 10 12.252 -8.269 4.528 1.00 0.00 N ATOM 94 CA LYS A 10 11.094 -8.510 5.381 1.00 0.00 C ATOM 95 C LYS A 10 10.608 -9.950 5.245 1.00 0.00 C ATOM 96 O LYS A 10 10.354 -10.626 6.241 1.00 0.00 O ATOM 97 CB LYS A 10 9.962 -7.543 5.025 1.00 0.00 C ATOM 98 CG LYS A 10 8.952 -7.352 6.143 1.00 0.00 C ATOM 99 CD LYS A 10 7.724 -6.598 5.662 1.00 0.00 C ATOM 100 CE LYS A 10 7.895 -5.095 5.818 1.00 0.00 C ATOM 101 NZ LYS A 10 8.728 -4.515 4.728 1.00 0.00 N ATOM 0 H LYS A 10 12.024 -7.920 3.597 1.00 0.00 H new ATOM 0 HA LYS A 10 11.395 -8.343 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.390 -6.575 4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.445 -7.912 4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.653 -8.324 6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 10 9.416 -6.807 6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.536 -6.837 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.851 -6.926 6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.916 -4.616 5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.357 -4.880 6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.431 -3.535 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.729 -4.527 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.607 -5.077 3.862 1.00 0.00 H new ATOM 115 N GLY A 11 10.483 -10.413 4.005 1.00 0.00 N ATOM 116 CA GLY A 11 10.029 -11.770 3.762 1.00 0.00 C ATOM 117 C GLY A 11 9.991 -12.114 2.287 1.00 0.00 C ATOM 118 O GLY A 11 10.280 -11.269 1.438 1.00 0.00 O ATOM 0 H GLY A 11 10.688 -9.873 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.688 -12.468 4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.034 -11.898 4.187 1.00 0.00 H new ATOM 122 N ASP A 12 9.635 -13.356 1.979 1.00 0.00 N ATOM 123 CA ASP A 12 9.561 -13.810 0.595 1.00 0.00 C ATOM 124 C ASP A 12 8.340 -13.221 -0.105 1.00 0.00 C ATOM 125 O ASP A 12 7.309 -12.954 0.513 1.00 0.00 O ATOM 126 CB ASP A 12 9.510 -15.337 0.539 1.00 0.00 C ATOM 127 CG ASP A 12 10.890 -15.961 0.479 1.00 0.00 C ATOM 128 OD1 ASP A 12 11.813 -15.420 1.122 1.00 0.00 O ATOM 129 OD2 ASP A 12 11.047 -16.990 -0.212 1.00 0.00 O ATOM 0 H ASP A 12 9.393 -14.067 2.669 1.00 0.00 H new ATOM 0 HA ASP A 12 10.456 -13.465 0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.983 -15.712 1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.936 -15.647 -0.335 1.00 0.00 H new ATOM 134 N PRO A 13 8.458 -13.012 -1.424 1.00 0.00 N ATOM 135 CA PRO A 13 7.373 -12.452 -2.237 1.00 0.00 C ATOM 136 C PRO A 13 6.207 -13.422 -2.395 1.00 0.00 C ATOM 137 O PRO A 13 5.117 -13.035 -2.815 1.00 0.00 O ATOM 138 CB PRO A 13 8.041 -12.193 -3.590 1.00 0.00 C ATOM 139 CG PRO A 13 9.177 -13.156 -3.642 1.00 0.00 C ATOM 140 CD PRO A 13 9.658 -13.307 -2.225 1.00 0.00 C ATOM 0 HA PRO A 13 6.941 -11.561 -1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.345 -12.357 -4.413 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.391 -11.164 -3.668 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.857 -14.115 -4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 13 9.974 -12.785 -4.287 1.00 0.00 H new ATOM 0 HD2 PRO A 13 10.032 -14.313 -2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 13 10.471 -12.616 -2.001 1.00 0.00 H new ATOM 148 N LYS A 14 6.444 -14.685 -2.056 1.00 0.00 N ATOM 149 CA LYS A 14 5.413 -15.711 -2.158 1.00 0.00 C ATOM 150 C LYS A 14 4.200 -15.350 -1.307 1.00 0.00 C ATOM 151 O LYS A 14 3.057 -15.551 -1.720 1.00 0.00 O ATOM 152 CB LYS A 14 5.970 -17.068 -1.722 1.00 0.00 C ATOM 153 CG LYS A 14 5.058 -18.236 -2.055 1.00 0.00 C ATOM 154 CD LYS A 14 5.028 -18.511 -3.549 1.00 0.00 C ATOM 155 CE LYS A 14 4.431 -19.877 -3.852 1.00 0.00 C ATOM 156 NZ LYS A 14 2.944 -19.863 -3.773 1.00 0.00 N ATOM 0 H LYS A 14 7.341 -15.023 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 14 5.098 -15.772 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.937 -17.225 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.146 -17.050 -0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.398 -19.127 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.049 -18.023 -1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.445 -17.739 -4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.040 -18.458 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.739 -20.195 -4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.825 -20.610 -3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.576 -20.812 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.650 -19.584 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.566 -19.183 -4.463 1.00 0.00 H new ATOM 170 N LYS A 15 4.455 -14.816 -0.118 1.00 0.00 N ATOM 171 CA LYS A 15 3.384 -14.424 0.791 1.00 0.00 C ATOM 172 C LYS A 15 2.498 -13.356 0.158 1.00 0.00 C ATOM 173 O LYS A 15 2.972 -12.433 -0.504 1.00 0.00 O ATOM 174 CB LYS A 15 3.968 -13.904 2.106 1.00 0.00 C ATOM 175 CG LYS A 15 2.954 -13.825 3.233 1.00 0.00 C ATOM 176 CD LYS A 15 3.589 -13.332 4.523 1.00 0.00 C ATOM 177 CE LYS A 15 2.607 -13.381 5.683 1.00 0.00 C ATOM 178 NZ LYS A 15 1.545 -12.345 5.554 1.00 0.00 N ATOM 0 H LYS A 15 5.395 -14.644 0.239 1.00 0.00 H new ATOM 0 HA LYS A 15 2.774 -15.304 0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.788 -14.554 2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.391 -12.913 1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.143 -13.156 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.513 -14.808 3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.461 -13.943 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.943 -12.310 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.148 -14.368 5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.144 -13.236 6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.896 -12.411 6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.981 -11.401 5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.015 -12.499 4.672 1.00 0.00 H new ATOM 192 N PRO A 16 1.178 -13.481 0.367 1.00 0.00 N ATOM 193 CA PRO A 16 0.198 -12.534 -0.173 1.00 0.00 C ATOM 194 C PRO A 16 0.275 -11.170 0.505 1.00 0.00 C ATOM 195 O PRO A 16 0.047 -11.050 1.709 1.00 0.00 O ATOM 196 CB PRO A 16 -1.145 -13.204 0.126 1.00 0.00 C ATOM 197 CG PRO A 16 -0.877 -14.083 1.299 1.00 0.00 C ATOM 198 CD PRO A 16 0.542 -14.556 1.146 1.00 0.00 C ATOM 0 HA PRO A 16 0.364 -12.335 -1.232 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.914 -12.466 0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.499 -13.781 -0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.008 -13.537 2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.569 -14.925 1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.027 -14.692 2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.593 -15.513 0.626 1.00 0.00 H new ATOM 206 N LYS A 17 0.598 -10.144 -0.275 1.00 0.00 N ATOM 207 CA LYS A 17 0.704 -8.787 0.250 1.00 0.00 C ATOM 208 C LYS A 17 -0.570 -8.389 0.988 1.00 0.00 C ATOM 209 O LYS A 17 -1.672 -8.506 0.453 1.00 0.00 O ATOM 210 CB LYS A 17 0.977 -7.800 -0.887 1.00 0.00 C ATOM 211 CG LYS A 17 1.110 -6.360 -0.422 1.00 0.00 C ATOM 212 CD LYS A 17 0.780 -5.381 -1.536 1.00 0.00 C ATOM 213 CE LYS A 17 1.926 -5.259 -2.529 1.00 0.00 C ATOM 214 NZ LYS A 17 1.497 -4.600 -3.793 1.00 0.00 N ATOM 0 H LYS A 17 0.791 -10.226 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 17 1.535 -8.759 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.893 -8.094 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.169 -7.865 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.445 -6.187 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.126 -6.183 -0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.120 -5.710 -2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.562 -4.402 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.737 -4.687 -2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.320 -6.250 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.306 -4.536 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.740 -5.159 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.144 -3.644 -3.584 1.00 0.00 H new ATOM 228 N GLY A 18 -0.411 -7.916 2.221 1.00 0.00 N ATOM 229 CA GLY A 18 -1.557 -7.507 3.012 1.00 0.00 C ATOM 230 C GLY A 18 -2.655 -6.893 2.166 1.00 0.00 C ATOM 231 O GLY A 18 -2.388 -6.308 1.116 1.00 0.00 O ATOM 0 H GLY A 18 0.491 -7.809 2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.954 -8.371 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.237 -6.787 3.765 1.00 0.00 H new ATOM 235 N LYS A 19 -3.896 -7.027 2.623 1.00 0.00 N ATOM 236 CA LYS A 19 -5.040 -6.482 1.902 1.00 0.00 C ATOM 237 C LYS A 19 -5.128 -4.970 2.084 1.00 0.00 C ATOM 238 O LYS A 19 -5.054 -4.465 3.203 1.00 0.00 O ATOM 239 CB LYS A 19 -6.334 -7.140 2.386 1.00 0.00 C ATOM 240 CG LYS A 19 -6.496 -8.578 1.923 1.00 0.00 C ATOM 241 CD LYS A 19 -7.697 -9.242 2.574 1.00 0.00 C ATOM 242 CE LYS A 19 -7.394 -9.667 4.002 1.00 0.00 C ATOM 243 NZ LYS A 19 -8.636 -9.953 4.772 1.00 0.00 N ATOM 0 H LYS A 19 -4.135 -7.509 3.490 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.905 -6.696 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.360 -7.113 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.183 -6.555 2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.609 -8.601 0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.594 -9.142 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.541 -8.553 2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.994 -10.113 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.762 -10.555 3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.829 -8.880 4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.386 -10.239 5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.228 -9.099 4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.162 -10.721 4.309 1.00 0.00 H new ATOM 257 N MET A 20 -5.286 -4.254 0.975 1.00 0.00 N ATOM 258 CA MET A 20 -5.386 -2.800 1.014 1.00 0.00 C ATOM 259 C MET A 20 -6.837 -2.351 0.871 1.00 0.00 C ATOM 260 O MET A 20 -7.598 -2.918 0.087 1.00 0.00 O ATOM 261 CB MET A 20 -4.537 -2.179 -0.097 1.00 0.00 C ATOM 262 CG MET A 20 -3.078 -1.991 0.287 1.00 0.00 C ATOM 263 SD MET A 20 -2.075 -1.374 -1.078 1.00 0.00 S ATOM 264 CE MET A 20 -2.782 0.256 -1.307 1.00 0.00 C ATOM 0 H MET A 20 -5.347 -4.657 0.040 1.00 0.00 H new ATOM 0 HA MET A 20 -5.012 -2.461 1.980 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.593 -2.812 -0.983 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.960 -1.212 -0.369 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.013 -1.295 1.124 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.671 -2.942 0.631 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.180 0.341 -2.318 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.585 0.409 -0.586 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.011 1.012 -1.156 1.00 0.00 H new ATOM 274 N SER A 21 -7.214 -1.330 1.634 1.00 0.00 N ATOM 275 CA SER A 21 -8.575 -0.808 1.596 1.00 0.00 C ATOM 276 C SER A 21 -8.657 0.430 0.708 1.00 0.00 C ATOM 277 O SER A 21 -7.697 1.192 0.596 1.00 0.00 O ATOM 278 CB SER A 21 -9.054 -0.469 3.008 1.00 0.00 C ATOM 279 OG SER A 21 -9.035 -1.614 3.842 1.00 0.00 O ATOM 0 H SER A 21 -6.596 -0.848 2.286 1.00 0.00 H new ATOM 0 HA SER A 21 -9.222 -1.579 1.176 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.418 0.306 3.435 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.065 -0.064 2.965 1.00 0.00 H new ATOM 0 HG SER A 21 -9.344 -1.370 4.739 1.00 0.00 H new ATOM 285 N ALA A 22 -9.811 0.623 0.078 1.00 0.00 N ATOM 286 CA ALA A 22 -10.021 1.768 -0.799 1.00 0.00 C ATOM 287 C ALA A 22 -9.273 2.995 -0.288 1.00 0.00 C ATOM 288 O ALA A 22 -8.579 3.671 -1.048 1.00 0.00 O ATOM 289 CB ALA A 22 -11.507 2.070 -0.927 1.00 0.00 C ATOM 0 H ALA A 22 -10.615 0.001 0.159 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.626 1.517 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.649 2.927 -1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.020 1.204 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.918 2.296 0.057 1.00 0.00 H new ATOM 295 N TYR A 23 -9.418 3.276 1.002 1.00 0.00 N ATOM 296 CA TYR A 23 -8.758 4.423 1.613 1.00 0.00 C ATOM 297 C TYR A 23 -7.250 4.366 1.391 1.00 0.00 C ATOM 298 O TYR A 23 -6.652 5.310 0.874 1.00 0.00 O ATOM 299 CB TYR A 23 -9.063 4.475 3.111 1.00 0.00 C ATOM 300 CG TYR A 23 -8.095 5.331 3.897 1.00 0.00 C ATOM 301 CD1 TYR A 23 -7.840 6.645 3.526 1.00 0.00 C ATOM 302 CD2 TYR A 23 -7.436 4.824 5.011 1.00 0.00 C ATOM 303 CE1 TYR A 23 -6.956 7.430 4.241 1.00 0.00 C ATOM 304 CE2 TYR A 23 -6.551 5.603 5.732 1.00 0.00 C ATOM 305 CZ TYR A 23 -6.314 6.905 5.343 1.00 0.00 C ATOM 306 OH TYR A 23 -5.434 7.684 6.058 1.00 0.00 O ATOM 0 H TYR A 23 -9.987 2.725 1.645 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.143 5.326 1.139 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.073 4.859 3.254 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.047 3.462 3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.341 7.060 2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.619 3.805 5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.769 8.450 3.938 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.047 5.194 6.596 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.069 7.164 6.804 1.00 0.00 H new ATOM 316 N ALA A 24 -6.642 3.252 1.785 1.00 0.00 N ATOM 317 CA ALA A 24 -5.205 3.069 1.627 1.00 0.00 C ATOM 318 C ALA A 24 -4.774 3.326 0.187 1.00 0.00 C ATOM 319 O ALA A 24 -3.813 4.054 -0.064 1.00 0.00 O ATOM 320 CB ALA A 24 -4.800 1.668 2.059 1.00 0.00 C ATOM 0 H ALA A 24 -7.123 2.462 2.216 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.699 3.794 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.724 1.546 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.064 1.519 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.321 0.933 1.446 1.00 0.00 H new ATOM 326 N PHE A 25 -5.490 2.723 -0.757 1.00 0.00 N ATOM 327 CA PHE A 25 -5.180 2.885 -2.173 1.00 0.00 C ATOM 328 C PHE A 25 -4.993 4.358 -2.523 1.00 0.00 C ATOM 329 O PHE A 25 -4.084 4.719 -3.272 1.00 0.00 O ATOM 330 CB PHE A 25 -6.292 2.281 -3.032 1.00 0.00 C ATOM 331 CG PHE A 25 -6.082 0.828 -3.352 1.00 0.00 C ATOM 332 CD1 PHE A 25 -6.534 -0.157 -2.489 1.00 0.00 C ATOM 333 CD2 PHE A 25 -5.432 0.449 -4.515 1.00 0.00 C ATOM 334 CE1 PHE A 25 -6.342 -1.494 -2.780 1.00 0.00 C ATOM 335 CE2 PHE A 25 -5.237 -0.887 -4.811 1.00 0.00 C ATOM 336 CZ PHE A 25 -5.692 -1.860 -3.942 1.00 0.00 C ATOM 0 H PHE A 25 -6.289 2.118 -0.567 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.247 2.360 -2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.244 2.396 -2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.366 2.843 -3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.042 0.123 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.074 1.205 -5.198 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.700 -2.252 -2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.729 -1.170 -5.721 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.540 -2.904 -4.171 1.00 0.00 H new ATOM 346 N PHE A 26 -5.860 5.204 -1.978 1.00 0.00 N ATOM 347 CA PHE A 26 -5.793 6.638 -2.234 1.00 0.00 C ATOM 348 C PHE A 26 -4.473 7.219 -1.734 1.00 0.00 C ATOM 349 O PHE A 26 -3.767 7.909 -2.470 1.00 0.00 O ATOM 350 CB PHE A 26 -6.966 7.354 -1.560 1.00 0.00 C ATOM 351 CG PHE A 26 -6.811 8.847 -1.515 1.00 0.00 C ATOM 352 CD1 PHE A 26 -6.997 9.610 -2.657 1.00 0.00 C ATOM 353 CD2 PHE A 26 -6.480 9.488 -0.332 1.00 0.00 C ATOM 354 CE1 PHE A 26 -6.855 10.984 -2.618 1.00 0.00 C ATOM 355 CE2 PHE A 26 -6.337 10.862 -0.288 1.00 0.00 C ATOM 356 CZ PHE A 26 -6.526 11.611 -1.432 1.00 0.00 C ATOM 0 H PHE A 26 -6.618 4.922 -1.356 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.853 6.792 -3.311 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.885 7.108 -2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.075 6.977 -0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.256 9.126 -3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.332 8.907 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.001 11.568 -3.515 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.078 11.349 0.640 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.417 12.685 -1.400 1.00 0.00 H new ATOM 366 N VAL A 27 -4.147 6.934 -0.478 1.00 0.00 N ATOM 367 CA VAL A 27 -2.912 7.426 0.122 1.00 0.00 C ATOM 368 C VAL A 27 -1.693 6.947 -0.658 1.00 0.00 C ATOM 369 O VAL A 27 -0.788 7.726 -0.954 1.00 0.00 O ATOM 370 CB VAL A 27 -2.780 6.974 1.588 1.00 0.00 C ATOM 371 CG1 VAL A 27 -1.467 7.461 2.182 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.962 7.471 2.407 1.00 0.00 C ATOM 0 H VAL A 27 -4.721 6.365 0.144 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.957 8.515 0.089 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.781 5.884 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.392 7.132 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.635 7.051 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.432 8.550 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.852 7.142 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.995 8.560 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.886 7.067 1.994 1.00 0.00 H new ATOM 382 N GLN A 28 -1.678 5.659 -0.988 1.00 0.00 N ATOM 383 CA GLN A 28 -0.569 5.076 -1.734 1.00 0.00 C ATOM 384 C GLN A 28 -0.445 5.714 -3.113 1.00 0.00 C ATOM 385 O GLN A 28 0.608 6.243 -3.472 1.00 0.00 O ATOM 386 CB GLN A 28 -0.760 3.564 -1.874 1.00 0.00 C ATOM 387 CG GLN A 28 0.245 2.908 -2.807 1.00 0.00 C ATOM 388 CD GLN A 28 0.293 1.401 -2.646 1.00 0.00 C ATOM 389 OE1 GLN A 28 -0.045 0.656 -3.566 1.00 0.00 O ATOM 390 NE2 GLN A 28 0.714 0.944 -1.472 1.00 0.00 N ATOM 0 H GLN A 28 -2.420 5.001 -0.751 1.00 0.00 H new ATOM 0 HA GLN A 28 0.350 5.270 -1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.683 3.104 -0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.767 3.366 -2.241 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.010 3.152 -3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.235 3.322 -2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.984 1.598 -0.737 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.767 -0.061 -1.305 1.00 0.00 H new ATOM 399 N THR A 29 -1.527 5.662 -3.884 1.00 0.00 N ATOM 400 CA THR A 29 -1.539 6.234 -5.225 1.00 0.00 C ATOM 401 C THR A 29 -1.038 7.673 -5.213 1.00 0.00 C ATOM 402 O THR A 29 -0.158 8.041 -5.992 1.00 0.00 O ATOM 403 CB THR A 29 -2.951 6.198 -5.838 1.00 0.00 C ATOM 404 OG1 THR A 29 -3.421 4.847 -5.909 1.00 0.00 O ATOM 405 CG2 THR A 29 -2.953 6.815 -7.228 1.00 0.00 C ATOM 0 H THR A 29 -2.407 5.229 -3.602 1.00 0.00 H new ATOM 0 HA THR A 29 -0.871 5.625 -5.835 1.00 0.00 H new ATOM 0 HB THR A 29 -3.615 6.779 -5.199 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.714 4.556 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.961 6.778 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.624 7.852 -7.166 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.276 6.257 -7.875 1.00 0.00 H new ATOM 413 N CYS A 30 -1.603 8.484 -4.325 1.00 0.00 N ATOM 414 CA CYS A 30 -1.213 9.885 -4.212 1.00 0.00 C ATOM 415 C CYS A 30 0.292 10.016 -4.004 1.00 0.00 C ATOM 416 O CYS A 30 0.931 10.905 -4.566 1.00 0.00 O ATOM 417 CB CYS A 30 -1.960 10.552 -3.056 1.00 0.00 C ATOM 418 SG CYS A 30 -2.085 12.350 -3.197 1.00 0.00 S ATOM 0 H CYS A 30 -2.332 8.195 -3.673 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.477 10.386 -5.143 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.964 10.132 -2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.456 10.306 -2.122 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.734 12.821 -2.174 1.00 0.00 H new ATOM 424 N ARG A 31 0.851 9.125 -3.191 1.00 0.00 N ATOM 425 CA ARG A 31 2.281 9.143 -2.906 1.00 0.00 C ATOM 426 C ARG A 31 3.092 8.931 -4.181 1.00 0.00 C ATOM 427 O ARG A 31 3.985 9.717 -4.497 1.00 0.00 O ATOM 428 CB ARG A 31 2.631 8.063 -1.881 1.00 0.00 C ATOM 429 CG ARG A 31 2.554 8.542 -0.441 1.00 0.00 C ATOM 430 CD ARG A 31 3.288 7.599 0.500 1.00 0.00 C ATOM 431 NE ARG A 31 4.737 7.704 0.359 1.00 0.00 N ATOM 432 CZ ARG A 31 5.595 6.882 0.953 1.00 0.00 C ATOM 433 NH1 ARG A 31 5.151 5.898 1.723 1.00 0.00 N ATOM 434 NH2 ARG A 31 6.900 7.041 0.776 1.00 0.00 N ATOM 0 H ARG A 31 0.336 8.382 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 31 2.532 10.121 -2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.954 7.218 -2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.639 7.698 -2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.984 9.541 -0.365 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.510 8.620 -0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.007 7.822 1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.978 6.573 0.300 1.00 0.00 H new ATOM 0 HE ARG A 31 5.111 8.450 -0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.148 5.771 1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.812 5.268 2.178 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.246 7.795 0.183 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.557 6.409 1.233 1.00 0.00 H new ATOM 448 N GLU A 32 2.774 7.866 -4.909 1.00 0.00 N ATOM 449 CA GLU A 32 3.474 7.551 -6.149 1.00 0.00 C ATOM 450 C GLU A 32 3.410 8.724 -7.123 1.00 0.00 C ATOM 451 O GLU A 32 4.375 9.010 -7.830 1.00 0.00 O ATOM 452 CB GLU A 32 2.874 6.302 -6.797 1.00 0.00 C ATOM 453 CG GLU A 32 3.487 5.004 -6.301 1.00 0.00 C ATOM 454 CD GLU A 32 4.874 4.761 -6.863 1.00 0.00 C ATOM 455 OE1 GLU A 32 4.974 4.364 -8.043 1.00 0.00 O ATOM 456 OE2 GLU A 32 5.859 4.967 -6.124 1.00 0.00 O ATOM 0 H GLU A 32 2.036 7.206 -4.662 1.00 0.00 H new ATOM 0 HA GLU A 32 4.519 7.359 -5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.801 6.284 -6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.004 6.366 -7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.539 5.024 -5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.838 4.172 -6.574 1.00 0.00 H new ATOM 463 N GLU A 33 2.265 9.399 -7.153 1.00 0.00 N ATOM 464 CA GLU A 33 2.074 10.540 -8.041 1.00 0.00 C ATOM 465 C GLU A 33 3.035 11.671 -7.687 1.00 0.00 C ATOM 466 O GLU A 33 3.563 12.350 -8.568 1.00 0.00 O ATOM 467 CB GLU A 33 0.630 11.039 -7.962 1.00 0.00 C ATOM 468 CG GLU A 33 -0.339 10.238 -8.816 1.00 0.00 C ATOM 469 CD GLU A 33 -1.782 10.656 -8.610 1.00 0.00 C ATOM 470 OE1 GLU A 33 -2.293 10.488 -7.483 1.00 0.00 O ATOM 471 OE2 GLU A 33 -2.399 11.151 -9.576 1.00 0.00 O ATOM 0 H GLU A 33 1.456 9.176 -6.573 1.00 0.00 H new ATOM 0 HA GLU A 33 2.283 10.215 -9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.299 11.006 -6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.598 12.083 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.076 10.359 -9.867 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.234 9.179 -8.581 1.00 0.00 H new ATOM 478 N HIS A 34 3.257 11.868 -6.391 1.00 0.00 N ATOM 479 CA HIS A 34 4.154 12.917 -5.920 1.00 0.00 C ATOM 480 C HIS A 34 5.589 12.641 -6.357 1.00 0.00 C ATOM 481 O HIS A 34 6.214 13.463 -7.027 1.00 0.00 O ATOM 482 CB HIS A 34 4.085 13.029 -4.396 1.00 0.00 C ATOM 483 CG HIS A 34 5.341 13.562 -3.778 1.00 0.00 C ATOM 484 ND1 HIS A 34 6.513 12.950 -3.486 1.00 0.00 N flip ATOM 485 CD2 HIS A 34 5.487 14.875 -3.382 1.00 0.00 C flip ATOM 486 CE1 HIS A 34 7.337 13.895 -2.926 1.00 0.00 C flip ATOM 487 NE2 HIS A 34 6.695 15.048 -2.875 1.00 0.00 N flip ATOM 0 H HIS A 34 2.828 11.315 -5.649 1.00 0.00 H new ATOM 0 HA HIS A 34 3.834 13.861 -6.361 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.252 13.678 -4.125 1.00 0.00 H new ATOM 0 HB3 HIS A 34 3.872 12.046 -3.977 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.732 15.642 -3.472 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.347 13.723 -2.583 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.068 15.923 -2.507 1.00 0.00 H new ATOM 496 N LYS A 35 6.107 11.479 -5.973 1.00 0.00 N ATOM 497 CA LYS A 35 7.468 11.094 -6.325 1.00 0.00 C ATOM 498 C LYS A 35 7.656 11.082 -7.839 1.00 0.00 C ATOM 499 O LYS A 35 8.630 11.627 -8.358 1.00 0.00 O ATOM 500 CB LYS A 35 7.794 9.714 -5.749 1.00 0.00 C ATOM 501 CG LYS A 35 9.281 9.473 -5.552 1.00 0.00 C ATOM 502 CD LYS A 35 9.827 10.280 -4.386 1.00 0.00 C ATOM 503 CE LYS A 35 11.281 9.935 -4.102 1.00 0.00 C ATOM 504 NZ LYS A 35 11.417 8.612 -3.432 1.00 0.00 N ATOM 0 H LYS A 35 5.604 10.787 -5.417 1.00 0.00 H new ATOM 0 HA LYS A 35 8.149 11.830 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.286 9.600 -4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.395 8.948 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.458 8.412 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.817 9.739 -6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.741 11.344 -4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.226 10.089 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.842 9.928 -5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.721 10.708 -3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.416 8.444 -3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.848 8.604 -2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.082 7.863 -4.071 1.00 0.00 H new ATOM 518 N LYS A 36 6.717 10.458 -8.542 1.00 0.00 N ATOM 519 CA LYS A 36 6.776 10.378 -9.997 1.00 0.00 C ATOM 520 C LYS A 36 7.087 11.742 -10.605 1.00 0.00 C ATOM 521 O LYS A 36 7.727 11.835 -11.652 1.00 0.00 O ATOM 522 CB LYS A 36 5.453 9.849 -10.553 1.00 0.00 C ATOM 523 CG LYS A 36 5.317 8.338 -10.467 1.00 0.00 C ATOM 524 CD LYS A 36 3.923 7.880 -10.861 1.00 0.00 C ATOM 525 CE LYS A 36 3.767 7.807 -12.372 1.00 0.00 C ATOM 526 NZ LYS A 36 4.506 6.651 -12.951 1.00 0.00 N ATOM 0 H LYS A 36 5.905 10.000 -8.127 1.00 0.00 H new ATOM 0 HA LYS A 36 7.577 9.689 -10.266 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.629 10.311 -10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.358 10.155 -11.595 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.053 7.868 -11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.535 8.009 -9.451 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.724 6.901 -10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.183 8.567 -10.451 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.710 7.725 -12.624 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.131 8.732 -12.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.167 6.471 -13.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.523 6.866 -12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.344 5.807 -12.365 1.00 0.00 H new ATOM 540 N LYS A 37 6.630 12.798 -9.941 1.00 0.00 N ATOM 541 CA LYS A 37 6.861 14.158 -10.414 1.00 0.00 C ATOM 542 C LYS A 37 8.109 14.753 -9.771 1.00 0.00 C ATOM 543 O LYS A 37 9.063 15.112 -10.460 1.00 0.00 O ATOM 544 CB LYS A 37 5.647 15.039 -10.108 1.00 0.00 C ATOM 545 CG LYS A 37 4.609 15.050 -11.216 1.00 0.00 C ATOM 546 CD LYS A 37 4.911 16.117 -12.254 1.00 0.00 C ATOM 547 CE LYS A 37 5.964 15.647 -13.246 1.00 0.00 C ATOM 548 NZ LYS A 37 5.878 16.384 -14.537 1.00 0.00 N ATOM 0 H LYS A 37 6.097 12.738 -9.073 1.00 0.00 H new ATOM 0 HA LYS A 37 7.013 14.120 -11.493 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.179 14.691 -9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.985 16.059 -9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.579 14.072 -11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.622 15.226 -10.789 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.997 16.376 -12.788 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.257 17.023 -11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.956 15.784 -12.815 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.840 14.579 -13.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.612 16.035 -15.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.941 16.233 -14.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.021 17.400 -14.367 1.00 0.00 H new ATOM 562 N ASN A 38 8.096 14.854 -8.445 1.00 0.00 N ATOM 563 CA ASN A 38 9.229 15.405 -7.710 1.00 0.00 C ATOM 564 C ASN A 38 9.972 14.308 -6.954 1.00 0.00 C ATOM 565 O ASN A 38 9.933 14.229 -5.726 1.00 0.00 O ATOM 566 CB ASN A 38 8.753 16.481 -6.731 1.00 0.00 C ATOM 567 CG ASN A 38 7.683 17.373 -7.330 1.00 0.00 C ATOM 568 OD1 ASN A 38 7.911 18.048 -8.334 1.00 0.00 O ATOM 569 ND2 ASN A 38 6.507 17.382 -6.713 1.00 0.00 N ATOM 0 H ASN A 38 7.314 14.562 -7.859 1.00 0.00 H new ATOM 0 HA ASN A 38 9.914 15.854 -8.430 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.363 16.004 -5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.602 17.092 -6.425 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.749 17.964 -7.069 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.362 16.807 -5.883 1.00 0.00 H new ATOM 576 N PRO A 39 10.667 13.439 -7.704 1.00 0.00 N ATOM 577 CA PRO A 39 11.434 12.332 -7.126 1.00 0.00 C ATOM 578 C PRO A 39 12.666 12.813 -6.367 1.00 0.00 C ATOM 579 O PRO A 39 13.357 12.024 -5.724 1.00 0.00 O ATOM 580 CB PRO A 39 11.847 11.510 -8.350 1.00 0.00 C ATOM 581 CG PRO A 39 11.851 12.485 -9.477 1.00 0.00 C ATOM 582 CD PRO A 39 10.759 13.473 -9.173 1.00 0.00 C ATOM 0 HA PRO A 39 10.852 11.771 -6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.830 11.061 -8.212 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.147 10.695 -8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.817 12.984 -9.558 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.670 11.983 -10.428 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.007 14.470 -9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.817 13.187 -9.641 1.00 0.00 H new ATOM 590 N GLU A 40 12.934 14.112 -6.447 1.00 0.00 N ATOM 591 CA GLU A 40 14.084 14.698 -5.766 1.00 0.00 C ATOM 592 C GLU A 40 13.660 15.373 -4.465 1.00 0.00 C ATOM 593 O GLU A 40 14.473 15.574 -3.563 1.00 0.00 O ATOM 594 CB GLU A 40 14.782 15.710 -6.676 1.00 0.00 C ATOM 595 CG GLU A 40 14.018 17.015 -6.833 1.00 0.00 C ATOM 596 CD GLU A 40 14.371 17.747 -8.114 1.00 0.00 C ATOM 597 OE1 GLU A 40 14.318 17.118 -9.191 1.00 0.00 O ATOM 598 OE2 GLU A 40 14.701 18.949 -8.037 1.00 0.00 O ATOM 0 H GLU A 40 12.372 14.779 -6.976 1.00 0.00 H new ATOM 0 HA GLU A 40 14.781 13.895 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.772 15.924 -6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.927 15.263 -7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.948 16.809 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.229 17.660 -5.980 1.00 0.00 H new ATOM 605 N VAL A 41 12.381 15.723 -4.377 1.00 0.00 N ATOM 606 CA VAL A 41 11.848 16.376 -3.187 1.00 0.00 C ATOM 607 C VAL A 41 11.229 15.360 -2.233 1.00 0.00 C ATOM 608 O VAL A 41 10.511 14.447 -2.640 1.00 0.00 O ATOM 609 CB VAL A 41 10.787 17.432 -3.553 1.00 0.00 C ATOM 610 CG1 VAL A 41 9.428 16.778 -3.748 1.00 0.00 C ATOM 611 CG2 VAL A 41 10.720 18.512 -2.485 1.00 0.00 C ATOM 0 H VAL A 41 11.695 15.565 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 41 12.686 16.869 -2.695 1.00 0.00 H new ATOM 0 HB VAL A 41 11.076 17.901 -4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.692 17.539 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.489 16.045 -4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.128 16.281 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.966 19.249 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.456 18.062 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.691 19.000 -2.400 1.00 0.00 H new ATOM 621 N PRO A 42 11.512 15.521 -0.932 1.00 0.00 N ATOM 622 CA PRO A 42 10.992 14.628 0.108 1.00 0.00 C ATOM 623 C PRO A 42 9.490 14.791 0.314 1.00 0.00 C ATOM 624 O PRO A 42 8.870 15.694 -0.248 1.00 0.00 O ATOM 625 CB PRO A 42 11.754 15.063 1.362 1.00 0.00 C ATOM 626 CG PRO A 42 12.127 16.483 1.106 1.00 0.00 C ATOM 627 CD PRO A 42 12.361 16.588 -0.376 1.00 0.00 C ATOM 0 HA PRO A 42 11.131 13.578 -0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.134 14.971 2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.637 14.445 1.523 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.333 17.159 1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 42 13.023 16.758 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 42 12.077 17.568 -0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 42 13.411 16.439 -0.629 1.00 0.00 H new ATOM 635 N VAL A 43 8.910 13.910 1.123 1.00 0.00 N ATOM 636 CA VAL A 43 7.480 13.957 1.405 1.00 0.00 C ATOM 637 C VAL A 43 7.201 13.681 2.878 1.00 0.00 C ATOM 638 O VAL A 43 7.286 12.541 3.333 1.00 0.00 O ATOM 639 CB VAL A 43 6.705 12.940 0.547 1.00 0.00 C ATOM 640 CG1 VAL A 43 7.254 11.536 0.758 1.00 0.00 C ATOM 641 CG2 VAL A 43 5.220 12.994 0.868 1.00 0.00 C ATOM 0 H VAL A 43 9.408 13.155 1.595 1.00 0.00 H new ATOM 0 HA VAL A 43 7.141 14.963 1.157 1.00 0.00 H new ATOM 0 HB VAL A 43 6.836 13.202 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.694 10.830 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.306 11.510 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.155 11.261 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.688 12.269 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.067 12.758 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.839 13.994 0.661 1.00 0.00 H new ATOM 651 N ASN A 44 6.866 14.732 3.619 1.00 0.00 N ATOM 652 CA ASN A 44 6.574 14.603 5.042 1.00 0.00 C ATOM 653 C ASN A 44 5.375 13.688 5.270 1.00 0.00 C ATOM 654 O ASN A 44 4.268 14.154 5.545 1.00 0.00 O ATOM 655 CB ASN A 44 6.304 15.978 5.655 1.00 0.00 C ATOM 656 CG ASN A 44 6.415 15.969 7.168 1.00 0.00 C ATOM 657 OD1 ASN A 44 6.503 14.909 7.788 1.00 0.00 O ATOM 658 ND2 ASN A 44 6.410 17.153 7.769 1.00 0.00 N ATOM 0 H ASN A 44 6.790 15.683 3.258 1.00 0.00 H new ATOM 0 HA ASN A 44 7.444 14.161 5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.011 16.700 5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.306 16.311 5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.481 17.210 8.785 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.335 18.006 7.215 1.00 0.00 H new ATOM 665 N PHE A 45 5.602 12.384 5.154 1.00 0.00 N ATOM 666 CA PHE A 45 4.540 11.403 5.347 1.00 0.00 C ATOM 667 C PHE A 45 3.561 11.866 6.422 1.00 0.00 C ATOM 668 O PHE A 45 2.353 11.920 6.193 1.00 0.00 O ATOM 669 CB PHE A 45 5.134 10.047 5.732 1.00 0.00 C ATOM 670 CG PHE A 45 4.150 8.915 5.648 1.00 0.00 C ATOM 671 CD1 PHE A 45 3.569 8.573 4.437 1.00 0.00 C ATOM 672 CD2 PHE A 45 3.804 8.194 6.779 1.00 0.00 C ATOM 673 CE1 PHE A 45 2.663 7.533 4.355 1.00 0.00 C ATOM 674 CE2 PHE A 45 2.899 7.152 6.704 1.00 0.00 C ATOM 675 CZ PHE A 45 2.327 6.822 5.491 1.00 0.00 C ATOM 0 H PHE A 45 6.512 11.982 4.927 1.00 0.00 H new ATOM 0 HA PHE A 45 3.998 11.301 4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.980 9.832 5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.523 10.105 6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.828 9.126 3.546 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.247 8.449 7.731 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.218 7.276 3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.639 6.596 7.593 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.618 6.009 5.431 1.00 0.00 H new ATOM 685 N ALA A 46 4.091 12.197 7.594 1.00 0.00 N ATOM 686 CA ALA A 46 3.266 12.657 8.704 1.00 0.00 C ATOM 687 C ALA A 46 2.203 13.641 8.227 1.00 0.00 C ATOM 688 O ALA A 46 1.020 13.485 8.527 1.00 0.00 O ATOM 689 CB ALA A 46 4.133 13.293 9.779 1.00 0.00 C ATOM 0 H ALA A 46 5.089 12.155 7.800 1.00 0.00 H new ATOM 0 HA ALA A 46 2.758 11.792 9.129 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.503 13.632 10.601 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.850 12.560 10.149 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.669 14.144 9.358 1.00 0.00 H new ATOM 695 N GLU A 47 2.634 14.655 7.483 1.00 0.00 N ATOM 696 CA GLU A 47 1.719 15.666 6.966 1.00 0.00 C ATOM 697 C GLU A 47 0.978 15.151 5.735 1.00 0.00 C ATOM 698 O GLU A 47 -0.252 15.145 5.695 1.00 0.00 O ATOM 699 CB GLU A 47 2.481 16.946 6.618 1.00 0.00 C ATOM 700 CG GLU A 47 2.601 17.918 7.780 1.00 0.00 C ATOM 701 CD GLU A 47 2.706 19.361 7.325 1.00 0.00 C ATOM 702 OE1 GLU A 47 1.749 19.852 6.690 1.00 0.00 O ATOM 703 OE2 GLU A 47 3.743 19.998 7.604 1.00 0.00 O ATOM 0 H GLU A 47 3.610 14.798 7.225 1.00 0.00 H new ATOM 0 HA GLU A 47 0.987 15.888 7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.480 16.681 6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.978 17.444 5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.734 17.809 8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.479 17.663 8.373 1.00 0.00 H new ATOM 710 N PHE A 48 1.737 14.720 4.733 1.00 0.00 N ATOM 711 CA PHE A 48 1.154 14.205 3.500 1.00 0.00 C ATOM 712 C PHE A 48 -0.040 13.303 3.798 1.00 0.00 C ATOM 713 O PHE A 48 -0.920 13.121 2.957 1.00 0.00 O ATOM 714 CB PHE A 48 2.204 13.432 2.699 1.00 0.00 C ATOM 715 CG PHE A 48 1.613 12.488 1.691 1.00 0.00 C ATOM 716 CD1 PHE A 48 1.092 11.267 2.087 1.00 0.00 C ATOM 717 CD2 PHE A 48 1.579 12.822 0.346 1.00 0.00 C ATOM 718 CE1 PHE A 48 0.548 10.396 1.162 1.00 0.00 C ATOM 719 CE2 PHE A 48 1.036 11.955 -0.583 1.00 0.00 C ATOM 720 CZ PHE A 48 0.520 10.740 -0.175 1.00 0.00 C ATOM 0 H PHE A 48 2.757 14.717 4.751 1.00 0.00 H new ATOM 0 HA PHE A 48 0.808 15.053 2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.852 14.142 2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.833 12.868 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.111 10.992 3.131 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.981 13.770 0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.145 9.447 1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.015 12.227 -1.628 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.096 10.061 -0.900 1.00 0.00 H new ATOM 730 N SER A 49 -0.063 12.740 5.002 1.00 0.00 N ATOM 731 CA SER A 49 -1.146 11.853 5.411 1.00 0.00 C ATOM 732 C SER A 49 -2.337 12.653 5.929 1.00 0.00 C ATOM 733 O SER A 49 -3.478 12.420 5.529 1.00 0.00 O ATOM 734 CB SER A 49 -0.659 10.884 6.491 1.00 0.00 C ATOM 735 OG SER A 49 -1.361 9.655 6.426 1.00 0.00 O ATOM 0 H SER A 49 0.656 12.882 5.711 1.00 0.00 H new ATOM 0 HA SER A 49 -1.465 11.283 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.409 10.704 6.368 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.795 11.333 7.475 1.00 0.00 H new ATOM 0 HG SER A 49 -1.031 9.052 7.125 1.00 0.00 H new ATOM 741 N LYS A 50 -2.063 13.598 6.822 1.00 0.00 N ATOM 742 CA LYS A 50 -3.110 14.436 7.396 1.00 0.00 C ATOM 743 C LYS A 50 -3.905 15.139 6.301 1.00 0.00 C ATOM 744 O LYS A 50 -5.037 15.570 6.521 1.00 0.00 O ATOM 745 CB LYS A 50 -2.501 15.471 8.344 1.00 0.00 C ATOM 746 CG LYS A 50 -3.530 16.204 9.187 1.00 0.00 C ATOM 747 CD LYS A 50 -4.158 15.286 10.223 1.00 0.00 C ATOM 748 CE LYS A 50 -3.133 14.815 11.244 1.00 0.00 C ATOM 749 NZ LYS A 50 -3.777 14.136 12.403 1.00 0.00 N ATOM 0 H LYS A 50 -1.124 13.803 7.164 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.788 13.794 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.791 14.973 9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.937 16.199 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.057 17.049 9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.308 16.611 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.967 15.810 10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.601 14.423 9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.432 14.131 10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.555 15.668 11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.046 13.830 13.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.427 14.796 12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.308 13.307 12.068 1.00 0.00 H new ATOM 763 N LYS A 51 -3.306 15.251 5.120 1.00 0.00 N ATOM 764 CA LYS A 51 -3.959 15.899 3.989 1.00 0.00 C ATOM 765 C LYS A 51 -4.715 14.882 3.140 1.00 0.00 C ATOM 766 O LYS A 51 -5.735 15.204 2.530 1.00 0.00 O ATOM 767 CB LYS A 51 -2.926 16.630 3.128 1.00 0.00 C ATOM 768 CG LYS A 51 -2.317 15.762 2.041 1.00 0.00 C ATOM 769 CD LYS A 51 -3.116 15.841 0.751 1.00 0.00 C ATOM 770 CE LYS A 51 -2.623 16.968 -0.143 1.00 0.00 C ATOM 771 NZ LYS A 51 -3.103 18.298 0.324 1.00 0.00 N ATOM 0 H LYS A 51 -2.369 14.901 4.921 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.675 16.622 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.398 17.497 2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.130 17.005 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.291 16.078 1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.275 14.727 2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.042 14.893 0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.170 15.994 0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.533 16.963 -0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.964 16.797 -1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.063 18.977 -0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.084 18.215 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.498 18.632 1.101 1.00 0.00 H new ATOM 785 N CYS A 52 -4.210 13.654 3.108 1.00 0.00 N ATOM 786 CA CYS A 52 -4.838 12.589 2.335 1.00 0.00 C ATOM 787 C CYS A 52 -6.082 12.063 3.044 1.00 0.00 C ATOM 788 O CYS A 52 -7.156 11.972 2.449 1.00 0.00 O ATOM 789 CB CYS A 52 -3.848 11.446 2.102 1.00 0.00 C ATOM 790 SG CYS A 52 -2.861 11.620 0.597 1.00 0.00 S ATOM 0 H CYS A 52 -3.367 13.371 3.608 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.138 13.002 1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.177 11.381 2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.399 10.506 2.056 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.661 11.169 0.811 1.00 0.00 H new ATOM 796 N SER A 53 -5.929 11.717 4.318 1.00 0.00 N ATOM 797 CA SER A 53 -7.039 11.195 5.107 1.00 0.00 C ATOM 798 C SER A 53 -8.265 12.094 4.981 1.00 0.00 C ATOM 799 O SER A 53 -9.318 11.662 4.513 1.00 0.00 O ATOM 800 CB SER A 53 -6.633 11.070 6.577 1.00 0.00 C ATOM 801 OG SER A 53 -6.082 12.284 7.058 1.00 0.00 O ATOM 0 H SER A 53 -5.047 11.789 4.826 1.00 0.00 H new ATOM 0 HA SER A 53 -7.293 10.207 4.722 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.502 10.799 7.176 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.905 10.267 6.690 1.00 0.00 H new ATOM 0 HG SER A 53 -5.182 12.403 6.690 1.00 0.00 H new ATOM 807 N GLU A 54 -8.119 13.346 5.402 1.00 0.00 N ATOM 808 CA GLU A 54 -9.215 14.306 5.337 1.00 0.00 C ATOM 809 C GLU A 54 -9.799 14.370 3.929 1.00 0.00 C ATOM 810 O GLU A 54 -11.009 14.519 3.753 1.00 0.00 O ATOM 811 CB GLU A 54 -8.733 15.694 5.765 1.00 0.00 C ATOM 812 CG GLU A 54 -8.227 15.747 7.197 1.00 0.00 C ATOM 813 CD GLU A 54 -8.342 17.132 7.804 1.00 0.00 C ATOM 814 OE1 GLU A 54 -9.300 17.854 7.457 1.00 0.00 O ATOM 815 OE2 GLU A 54 -7.475 17.494 8.627 1.00 0.00 O ATOM 0 H GLU A 54 -7.253 13.719 5.791 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.996 13.974 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.936 16.015 5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.551 16.405 5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.792 15.040 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.185 15.428 7.223 1.00 0.00 H new ATOM 822 N ARG A 55 -8.931 14.258 2.929 1.00 0.00 N ATOM 823 CA ARG A 55 -9.360 14.305 1.536 1.00 0.00 C ATOM 824 C ARG A 55 -10.238 13.104 1.196 1.00 0.00 C ATOM 825 O ARG A 55 -11.064 13.165 0.286 1.00 0.00 O ATOM 826 CB ARG A 55 -8.145 14.341 0.607 1.00 0.00 C ATOM 827 CG ARG A 55 -7.666 15.747 0.284 1.00 0.00 C ATOM 828 CD ARG A 55 -6.253 15.739 -0.278 1.00 0.00 C ATOM 829 NE ARG A 55 -6.244 15.607 -1.733 1.00 0.00 N ATOM 830 CZ ARG A 55 -6.760 16.512 -2.556 1.00 0.00 C ATOM 831 NH1 ARG A 55 -7.324 17.609 -2.071 1.00 0.00 N ATOM 832 NH2 ARG A 55 -6.713 16.320 -3.868 1.00 0.00 N ATOM 0 H ARG A 55 -7.927 14.134 3.057 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.946 15.213 1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.329 13.785 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.394 13.829 -0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.343 16.206 -0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.697 16.359 1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.745 16.661 0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.691 14.916 0.164 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.818 14.774 -2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.362 17.760 -1.063 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.720 18.302 -2.706 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.280 15.477 -4.245 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.110 17.016 -4.500 1.00 0.00 H new ATOM 846 N TRP A 56 -10.052 12.015 1.934 1.00 0.00 N ATOM 847 CA TRP A 56 -10.827 10.800 1.710 1.00 0.00 C ATOM 848 C TRP A 56 -12.267 10.978 2.180 1.00 0.00 C ATOM 849 O TRP A 56 -13.205 10.515 1.531 1.00 0.00 O ATOM 850 CB TRP A 56 -10.183 9.619 2.437 1.00 0.00 C ATOM 851 CG TRP A 56 -10.892 8.319 2.204 1.00 0.00 C ATOM 852 CD1 TRP A 56 -11.561 7.573 3.132 1.00 0.00 C ATOM 853 CD2 TRP A 56 -11.002 7.613 0.964 1.00 0.00 C ATOM 854 NE1 TRP A 56 -12.080 6.445 2.543 1.00 0.00 N ATOM 855 CE2 TRP A 56 -11.751 6.446 1.213 1.00 0.00 C ATOM 856 CE3 TRP A 56 -10.542 7.853 -0.334 1.00 0.00 C ATOM 857 CZ2 TRP A 56 -12.048 5.525 0.213 1.00 0.00 C ATOM 858 CZ3 TRP A 56 -10.837 6.937 -1.326 1.00 0.00 C ATOM 859 CH2 TRP A 56 -11.585 5.785 -1.048 1.00 0.00 C ATOM 0 H TRP A 56 -9.372 11.949 2.692 1.00 0.00 H new ATOM 0 HA TRP A 56 -10.837 10.597 0.639 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -9.147 9.523 2.112 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -10.163 9.827 3.507 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -11.667 7.832 4.175 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -12.622 5.724 3.019 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -9.966 8.739 -0.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -12.624 4.636 0.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -10.485 7.112 -2.332 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -11.800 5.089 -1.845 1.00 0.00 H new ATOM 870 N LYS A 57 -12.436 11.652 3.313 1.00 0.00 N ATOM 871 CA LYS A 57 -13.761 11.893 3.870 1.00 0.00 C ATOM 872 C LYS A 57 -14.477 13.005 3.109 1.00 0.00 C ATOM 873 O LYS A 57 -15.704 13.007 3.001 1.00 0.00 O ATOM 874 CB LYS A 57 -13.655 12.262 5.351 1.00 0.00 C ATOM 875 CG LYS A 57 -12.682 13.395 5.628 1.00 0.00 C ATOM 876 CD LYS A 57 -12.696 13.797 7.093 1.00 0.00 C ATOM 877 CE LYS A 57 -11.713 12.969 7.907 1.00 0.00 C ATOM 878 NZ LYS A 57 -12.069 12.950 9.354 1.00 0.00 N ATOM 0 H LYS A 57 -11.671 12.041 3.863 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.341 10.976 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.642 12.544 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.345 11.382 5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.675 13.089 5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.940 14.256 5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.446 14.854 7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.701 13.671 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.693 11.949 7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.709 13.374 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.376 12.376 9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.063 13.921 9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.017 12.540 9.473 1.00 0.00 H new ATOM 892 N THR A 58 -13.704 13.948 2.581 1.00 0.00 N ATOM 893 CA THR A 58 -14.264 15.064 1.829 1.00 0.00 C ATOM 894 C THR A 58 -14.652 14.637 0.418 1.00 0.00 C ATOM 895 O THR A 58 -15.603 15.163 -0.160 1.00 0.00 O ATOM 896 CB THR A 58 -13.271 16.238 1.744 1.00 0.00 C ATOM 897 OG1 THR A 58 -12.109 15.845 1.005 1.00 0.00 O ATOM 898 CG2 THR A 58 -12.862 16.704 3.133 1.00 0.00 C ATOM 0 H THR A 58 -12.687 13.961 2.660 1.00 0.00 H new ATOM 0 HA THR A 58 -15.156 15.390 2.364 1.00 0.00 H new ATOM 0 HB THR A 58 -13.764 17.065 1.232 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.058 14.867 0.971 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.160 17.534 3.047 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.745 17.031 3.682 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.387 15.881 3.668 1.00 0.00 H new ATOM 906 N MET A 59 -13.910 13.681 -0.131 1.00 0.00 N ATOM 907 CA MET A 59 -14.178 13.183 -1.475 1.00 0.00 C ATOM 908 C MET A 59 -15.613 12.676 -1.590 1.00 0.00 C ATOM 909 O MET A 59 -16.313 12.533 -0.588 1.00 0.00 O ATOM 910 CB MET A 59 -13.199 12.063 -1.832 1.00 0.00 C ATOM 911 CG MET A 59 -11.911 12.561 -2.465 1.00 0.00 C ATOM 912 SD MET A 59 -10.520 11.451 -2.176 1.00 0.00 S ATOM 913 CE MET A 59 -10.443 10.588 -3.744 1.00 0.00 C ATOM 0 H MET A 59 -13.119 13.236 0.334 1.00 0.00 H new ATOM 0 HA MET A 59 -14.045 14.008 -2.175 1.00 0.00 H new ATOM 0 HB2 MET A 59 -12.957 11.502 -0.930 1.00 0.00 H new ATOM 0 HB3 MET A 59 -13.687 11.370 -2.517 1.00 0.00 H new ATOM 0 HG2 MET A 59 -12.060 12.678 -3.538 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.673 13.547 -2.067 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.837 9.688 -3.635 1.00 0.00 H new ATOM 0 HE2 MET A 59 -11.450 10.312 -4.057 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.995 11.238 -4.495 1.00 0.00 H new ATOM 923 N SER A 60 -16.043 12.406 -2.818 1.00 0.00 N ATOM 924 CA SER A 60 -17.396 11.920 -3.065 1.00 0.00 C ATOM 925 C SER A 60 -17.370 10.489 -3.593 1.00 0.00 C ATOM 926 O SER A 60 -16.403 10.066 -4.226 1.00 0.00 O ATOM 927 CB SER A 60 -18.115 12.831 -4.061 1.00 0.00 C ATOM 928 OG SER A 60 -19.444 12.392 -4.286 1.00 0.00 O ATOM 0 H SER A 60 -15.474 12.515 -3.658 1.00 0.00 H new ATOM 0 HA SER A 60 -17.938 11.930 -2.119 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.125 13.853 -3.682 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.569 12.846 -5.004 1.00 0.00 H new ATOM 0 HG SER A 60 -19.883 12.992 -4.925 1.00 0.00 H new ATOM 934 N GLY A 61 -18.442 9.747 -3.329 1.00 0.00 N ATOM 935 CA GLY A 61 -18.523 8.372 -3.784 1.00 0.00 C ATOM 936 C GLY A 61 -18.041 8.204 -5.212 1.00 0.00 C ATOM 937 O GLY A 61 -17.509 7.156 -5.577 1.00 0.00 O ATOM 0 H GLY A 61 -19.255 10.074 -2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.927 7.739 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.555 8.028 -3.709 1.00 0.00 H new ATOM 941 N LYS A 62 -18.229 9.240 -6.023 1.00 0.00 N ATOM 942 CA LYS A 62 -17.810 9.204 -7.419 1.00 0.00 C ATOM 943 C LYS A 62 -16.289 9.170 -7.530 1.00 0.00 C ATOM 944 O LYS A 62 -15.730 8.351 -8.260 1.00 0.00 O ATOM 945 CB LYS A 62 -18.359 10.419 -8.169 1.00 0.00 C ATOM 946 CG LYS A 62 -18.501 10.198 -9.665 1.00 0.00 C ATOM 947 CD LYS A 62 -19.692 9.310 -9.987 1.00 0.00 C ATOM 948 CE LYS A 62 -20.987 10.106 -10.027 1.00 0.00 C ATOM 949 NZ LYS A 62 -22.183 9.225 -9.926 1.00 0.00 N ATOM 0 H LYS A 62 -18.669 10.115 -5.737 1.00 0.00 H new ATOM 0 HA LYS A 62 -18.210 8.295 -7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -19.333 10.681 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -17.700 11.270 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -18.616 11.159 -10.166 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -17.591 9.743 -10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -19.534 8.822 -10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -19.772 8.521 -9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -20.996 10.826 -9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -21.034 10.677 -10.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -23.045 9.805 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -22.188 8.554 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -22.152 8.699 -9.029 1.00 0.00 H new ATOM 963 N GLU A 63 -15.627 10.062 -6.801 1.00 0.00 N ATOM 964 CA GLU A 63 -14.170 10.132 -6.819 1.00 0.00 C ATOM 965 C GLU A 63 -13.559 8.931 -6.103 1.00 0.00 C ATOM 966 O GLU A 63 -12.452 8.498 -6.426 1.00 0.00 O ATOM 967 CB GLU A 63 -13.692 11.429 -6.162 1.00 0.00 C ATOM 968 CG GLU A 63 -13.639 12.611 -7.115 1.00 0.00 C ATOM 969 CD GLU A 63 -12.341 12.674 -7.895 1.00 0.00 C ATOM 970 OE1 GLU A 63 -11.286 12.332 -7.319 1.00 0.00 O ATOM 971 OE2 GLU A 63 -12.378 13.065 -9.080 1.00 0.00 O ATOM 0 H GLU A 63 -16.075 10.746 -6.191 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.843 10.118 -7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.356 11.672 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.700 11.268 -5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.475 12.549 -7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.764 13.535 -6.550 1.00 0.00 H new ATOM 978 N LYS A 64 -14.288 8.396 -5.129 1.00 0.00 N ATOM 979 CA LYS A 64 -13.820 7.245 -4.367 1.00 0.00 C ATOM 980 C LYS A 64 -13.875 5.975 -5.211 1.00 0.00 C ATOM 981 O LYS A 64 -12.938 5.176 -5.209 1.00 0.00 O ATOM 982 CB LYS A 64 -14.665 7.066 -3.103 1.00 0.00 C ATOM 983 CG LYS A 64 -14.304 8.034 -1.989 1.00 0.00 C ATOM 984 CD LYS A 64 -14.994 7.666 -0.687 1.00 0.00 C ATOM 985 CE LYS A 64 -14.691 8.676 0.409 1.00 0.00 C ATOM 986 NZ LYS A 64 -15.767 8.719 1.438 1.00 0.00 N ATOM 0 H LYS A 64 -15.206 8.742 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.784 7.427 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.717 7.194 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.547 6.045 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.224 8.035 -1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.587 9.046 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.071 7.613 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.670 6.675 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.744 8.422 0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.571 9.665 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.522 9.419 2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.666 8.986 0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.865 7.782 1.878 1.00 0.00 H new ATOM 1000 N SER A 65 -14.977 5.796 -5.932 1.00 0.00 N ATOM 1001 CA SER A 65 -15.154 4.622 -6.779 1.00 0.00 C ATOM 1002 C SER A 65 -13.828 4.198 -7.403 1.00 0.00 C ATOM 1003 O SER A 65 -13.500 3.012 -7.446 1.00 0.00 O ATOM 1004 CB SER A 65 -16.179 4.910 -7.878 1.00 0.00 C ATOM 1005 OG SER A 65 -17.451 5.202 -7.325 1.00 0.00 O ATOM 0 H SER A 65 -15.761 6.449 -5.947 1.00 0.00 H new ATOM 0 HA SER A 65 -15.520 3.806 -6.156 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.841 5.751 -8.484 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.257 4.049 -8.542 1.00 0.00 H new ATOM 0 HG SER A 65 -17.417 6.067 -6.866 1.00 0.00 H new ATOM 1011 N LYS A 66 -13.070 5.175 -7.887 1.00 0.00 N ATOM 1012 CA LYS A 66 -11.779 4.906 -8.509 1.00 0.00 C ATOM 1013 C LYS A 66 -10.998 3.865 -7.713 1.00 0.00 C ATOM 1014 O LYS A 66 -10.498 2.889 -8.272 1.00 0.00 O ATOM 1015 CB LYS A 66 -10.963 6.197 -8.618 1.00 0.00 C ATOM 1016 CG LYS A 66 -9.749 6.074 -9.522 1.00 0.00 C ATOM 1017 CD LYS A 66 -8.649 7.039 -9.112 1.00 0.00 C ATOM 1018 CE LYS A 66 -7.271 6.489 -9.450 1.00 0.00 C ATOM 1019 NZ LYS A 66 -6.264 7.575 -9.604 1.00 0.00 N ATOM 0 H LYS A 66 -13.327 6.162 -7.861 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.961 4.512 -9.509 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -11.606 6.993 -8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.635 6.495 -7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.370 5.053 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.041 6.270 -10.554 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.795 7.994 -9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.713 7.231 -8.041 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.950 5.805 -8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.327 5.911 -10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.338 7.160 -9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.557 8.214 -10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.192 8.110 -8.715 1.00 0.00 H new ATOM 1033 N PHE A 67 -10.898 4.079 -6.405 1.00 0.00 N ATOM 1034 CA PHE A 67 -10.179 3.159 -5.532 1.00 0.00 C ATOM 1035 C PHE A 67 -11.122 2.106 -4.957 1.00 0.00 C ATOM 1036 O PHE A 67 -10.720 0.971 -4.702 1.00 0.00 O ATOM 1037 CB PHE A 67 -9.499 3.926 -4.396 1.00 0.00 C ATOM 1038 CG PHE A 67 -8.740 5.136 -4.860 1.00 0.00 C ATOM 1039 CD1 PHE A 67 -7.468 5.010 -5.394 1.00 0.00 C ATOM 1040 CD2 PHE A 67 -9.299 6.400 -4.763 1.00 0.00 C ATOM 1041 CE1 PHE A 67 -6.766 6.121 -5.822 1.00 0.00 C ATOM 1042 CE2 PHE A 67 -8.603 7.515 -5.190 1.00 0.00 C ATOM 1043 CZ PHE A 67 -7.335 7.376 -5.719 1.00 0.00 C ATOM 0 H PHE A 67 -11.306 4.882 -5.926 1.00 0.00 H new ATOM 0 HA PHE A 67 -9.418 2.654 -6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -10.255 4.236 -3.674 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.815 3.256 -3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -7.019 4.031 -5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -10.290 6.515 -4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.775 6.008 -6.236 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.051 8.495 -5.110 1.00 0.00 H new ATOM 0 HZ PHE A 67 -6.789 8.247 -6.052 1.00 0.00 H new ATOM 1053 N ASP A 68 -12.377 2.491 -4.756 1.00 0.00 N ATOM 1054 CA ASP A 68 -13.378 1.581 -4.212 1.00 0.00 C ATOM 1055 C ASP A 68 -13.416 0.278 -5.003 1.00 0.00 C ATOM 1056 O ASP A 68 -13.574 -0.801 -4.433 1.00 0.00 O ATOM 1057 CB ASP A 68 -14.758 2.240 -4.225 1.00 0.00 C ATOM 1058 CG ASP A 68 -15.655 1.730 -3.114 1.00 0.00 C ATOM 1059 OD1 ASP A 68 -15.908 0.508 -3.070 1.00 0.00 O ATOM 1060 OD2 ASP A 68 -16.102 2.552 -2.288 1.00 0.00 O ATOM 0 H ASP A 68 -12.726 3.427 -4.962 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.103 1.352 -3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.643 3.320 -4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.236 2.056 -5.187 1.00 0.00 H new ATOM 1065 N GLU A 69 -13.270 0.387 -6.320 1.00 0.00 N ATOM 1066 CA GLU A 69 -13.289 -0.784 -7.190 1.00 0.00 C ATOM 1067 C GLU A 69 -11.988 -1.572 -7.070 1.00 0.00 C ATOM 1068 O GLU A 69 -12.000 -2.799 -6.983 1.00 0.00 O ATOM 1069 CB GLU A 69 -13.512 -0.363 -8.644 1.00 0.00 C ATOM 1070 CG GLU A 69 -12.408 0.523 -9.197 1.00 0.00 C ATOM 1071 CD GLU A 69 -12.700 1.009 -10.603 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -13.801 1.554 -10.826 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -11.827 0.844 -11.481 1.00 0.00 O ATOM 0 H GLU A 69 -13.137 1.273 -6.808 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.112 -1.426 -6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.594 -1.256 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.462 0.166 -8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.274 1.382 -8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.468 -0.030 -9.195 1.00 0.00 H new ATOM 1080 N MET A 70 -10.868 -0.856 -7.068 1.00 0.00 N ATOM 1081 CA MET A 70 -9.558 -1.488 -6.959 1.00 0.00 C ATOM 1082 C MET A 70 -9.460 -2.318 -5.683 1.00 0.00 C ATOM 1083 O MET A 70 -9.016 -3.465 -5.710 1.00 0.00 O ATOM 1084 CB MET A 70 -8.454 -0.430 -6.979 1.00 0.00 C ATOM 1085 CG MET A 70 -8.364 0.329 -8.294 1.00 0.00 C ATOM 1086 SD MET A 70 -6.767 1.135 -8.522 1.00 0.00 S ATOM 1087 CE MET A 70 -6.961 2.573 -7.472 1.00 0.00 C ATOM 0 H MET A 70 -10.841 0.161 -7.141 1.00 0.00 H new ATOM 0 HA MET A 70 -9.430 -2.152 -7.814 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.627 0.280 -6.170 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.497 -0.912 -6.781 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.540 -0.360 -9.120 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.154 1.079 -8.331 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.052 3.174 -7.507 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.804 3.169 -7.823 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.145 2.253 -6.447 1.00 0.00 H new ATOM 1097 N ALA A 71 -9.876 -1.729 -4.566 1.00 0.00 N ATOM 1098 CA ALA A 71 -9.836 -2.415 -3.280 1.00 0.00 C ATOM 1099 C ALA A 71 -10.707 -3.667 -3.298 1.00 0.00 C ATOM 1100 O ALA A 71 -10.253 -4.757 -2.950 1.00 0.00 O ATOM 1101 CB ALA A 71 -10.280 -1.477 -2.168 1.00 0.00 C ATOM 0 H ALA A 71 -10.244 -0.779 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.807 -2.723 -3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.245 -2.002 -1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.614 -0.615 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -11.299 -1.141 -2.360 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.962 -3.503 -3.705 1.00 0.00 N ATOM 1108 CA LYS A 72 -12.898 -4.619 -3.769 1.00 0.00 C ATOM 1109 C LYS A 72 -12.235 -5.851 -4.378 1.00 0.00 C ATOM 1110 O LYS A 72 -12.414 -6.967 -3.892 1.00 0.00 O ATOM 1111 CB LYS A 72 -14.130 -4.232 -4.590 1.00 0.00 C ATOM 1112 CG LYS A 72 -15.216 -3.553 -3.773 1.00 0.00 C ATOM 1113 CD LYS A 72 -15.941 -4.543 -2.878 1.00 0.00 C ATOM 1114 CE LYS A 72 -17.337 -4.054 -2.522 1.00 0.00 C ATOM 1115 NZ LYS A 72 -17.298 -2.892 -1.593 1.00 0.00 N ATOM 0 H LYS A 72 -12.354 -2.607 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.208 -4.860 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.824 -3.566 -5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.543 -5.127 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.775 -2.765 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.931 -3.075 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.009 -5.508 -3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.365 -4.700 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.866 -3.773 -3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.900 -4.867 -2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.269 -2.589 -1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.815 -3.167 -0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.783 -2.107 -2.040 1.00 0.00 H new ATOM 1129 N ALA A 73 -11.468 -5.639 -5.442 1.00 0.00 N ATOM 1130 CA ALA A 73 -10.776 -6.732 -6.115 1.00 0.00 C ATOM 1131 C ALA A 73 -9.593 -7.223 -5.288 1.00 0.00 C ATOM 1132 O ALA A 73 -9.363 -8.427 -5.171 1.00 0.00 O ATOM 1133 CB ALA A 73 -10.311 -6.292 -7.495 1.00 0.00 C ATOM 0 H ALA A 73 -11.310 -4.721 -5.857 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.477 -7.559 -6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.796 -7.118 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.173 -5.996 -8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.630 -5.447 -7.397 1.00 0.00 H new ATOM 1139 N ASP A 74 -8.845 -6.285 -4.717 1.00 0.00 N ATOM 1140 CA ASP A 74 -7.686 -6.623 -3.900 1.00 0.00 C ATOM 1141 C ASP A 74 -8.080 -7.547 -2.752 1.00 0.00 C ATOM 1142 O ASP A 74 -7.390 -8.524 -2.462 1.00 0.00 O ATOM 1143 CB ASP A 74 -7.035 -5.353 -3.349 1.00 0.00 C ATOM 1144 CG ASP A 74 -5.727 -5.635 -2.637 1.00 0.00 C ATOM 1145 OD1 ASP A 74 -5.747 -6.373 -1.629 1.00 0.00 O ATOM 1146 OD2 ASP A 74 -4.683 -5.119 -3.088 1.00 0.00 O ATOM 0 H ASP A 74 -9.021 -5.284 -4.805 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.968 -7.145 -4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.857 -4.655 -4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.723 -4.866 -2.659 1.00 0.00 H new ATOM 1151 N LYS A 75 -9.194 -7.231 -2.101 1.00 0.00 N ATOM 1152 CA LYS A 75 -9.682 -8.031 -0.985 1.00 0.00 C ATOM 1153 C LYS A 75 -10.023 -9.447 -1.438 1.00 0.00 C ATOM 1154 O LYS A 75 -9.892 -10.403 -0.673 1.00 0.00 O ATOM 1155 CB LYS A 75 -10.915 -7.374 -0.360 1.00 0.00 C ATOM 1156 CG LYS A 75 -11.488 -8.149 0.815 1.00 0.00 C ATOM 1157 CD LYS A 75 -12.987 -7.938 0.945 1.00 0.00 C ATOM 1158 CE LYS A 75 -13.497 -8.390 2.304 1.00 0.00 C ATOM 1159 NZ LYS A 75 -13.381 -9.864 2.478 1.00 0.00 N ATOM 0 H LYS A 75 -9.777 -6.425 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.890 -8.088 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.652 -6.369 -0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.685 -7.266 -1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.279 -9.211 0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.994 -7.835 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.221 -6.883 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.503 -8.490 0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.933 -7.886 3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.539 -8.092 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.739 -10.132 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.939 -10.345 1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.383 -10.146 2.395 1.00 0.00 H new ATOM 1173 N VAL A 76 -10.458 -9.575 -2.688 1.00 0.00 N ATOM 1174 CA VAL A 76 -10.814 -10.875 -3.244 1.00 0.00 C ATOM 1175 C VAL A 76 -9.570 -11.668 -3.628 1.00 0.00 C ATOM 1176 O VAL A 76 -9.381 -12.801 -3.183 1.00 0.00 O ATOM 1177 CB VAL A 76 -11.718 -10.727 -4.482 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -11.995 -12.086 -5.106 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -13.016 -10.026 -4.113 1.00 0.00 C ATOM 0 H VAL A 76 -10.572 -8.794 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.359 -11.413 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.198 -10.115 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -12.635 -11.962 -5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -11.054 -12.546 -5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.494 -12.726 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.642 -9.930 -5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.543 -10.610 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -12.794 -9.035 -3.716 1.00 0.00 H new ATOM 1189 N ARG A 77 -8.723 -11.066 -4.456 1.00 0.00 N ATOM 1190 CA ARG A 77 -7.496 -11.716 -4.901 1.00 0.00 C ATOM 1191 C ARG A 77 -6.722 -12.285 -3.715 1.00 0.00 C ATOM 1192 O ARG A 77 -6.090 -13.336 -3.820 1.00 0.00 O ATOM 1193 CB ARG A 77 -6.619 -10.727 -5.670 1.00 0.00 C ATOM 1194 CG ARG A 77 -5.627 -9.982 -4.792 1.00 0.00 C ATOM 1195 CD ARG A 77 -4.356 -10.789 -4.579 1.00 0.00 C ATOM 1196 NE ARG A 77 -3.346 -10.496 -5.593 1.00 0.00 N ATOM 1197 CZ ARG A 77 -2.645 -9.368 -5.627 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -2.843 -8.432 -4.709 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -1.743 -9.175 -6.581 1.00 0.00 N ATOM 0 H ARG A 77 -8.864 -10.129 -4.833 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.769 -12.538 -5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.073 -11.265 -6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.259 -10.004 -6.175 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.379 -9.025 -5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.086 -9.763 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.951 -10.573 -3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.594 -11.853 -4.601 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.169 -11.195 -6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.535 -8.577 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.303 -7.567 -4.738 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.588 -9.893 -7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.205 -8.309 -6.607 1.00 0.00 H new ATOM 1213 N TYR A 78 -6.775 -11.582 -2.589 1.00 0.00 N ATOM 1214 CA TYR A 78 -6.076 -12.015 -1.385 1.00 0.00 C ATOM 1215 C TYR A 78 -6.707 -13.281 -0.814 1.00 0.00 C ATOM 1216 O TYR A 78 -6.032 -14.293 -0.624 1.00 0.00 O ATOM 1217 CB TYR A 78 -6.093 -10.904 -0.334 1.00 0.00 C ATOM 1218 CG TYR A 78 -5.120 -11.130 0.801 1.00 0.00 C ATOM 1219 CD1 TYR A 78 -5.449 -11.951 1.872 1.00 0.00 C ATOM 1220 CD2 TYR A 78 -3.870 -10.522 0.802 1.00 0.00 C ATOM 1221 CE1 TYR A 78 -4.563 -12.160 2.912 1.00 0.00 C ATOM 1222 CE2 TYR A 78 -2.977 -10.726 1.837 1.00 0.00 C ATOM 1223 CZ TYR A 78 -3.329 -11.545 2.889 1.00 0.00 C ATOM 1224 OH TYR A 78 -2.443 -11.751 3.922 1.00 0.00 O ATOM 0 H TYR A 78 -7.294 -10.710 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.043 -12.236 -1.654 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.861 -9.955 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.100 -10.816 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.414 -12.435 1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.592 -9.879 -0.020 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.835 -12.801 3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.009 -10.247 1.822 1.00 0.00 H new ATOM 0 HH TYR A 78 -1.620 -11.247 3.752 1.00 0.00 H new ATOM 1234 N ASP A 79 -8.006 -13.216 -0.543 1.00 0.00 N ATOM 1235 CA ASP A 79 -8.731 -14.356 0.005 1.00 0.00 C ATOM 1236 C ASP A 79 -8.303 -15.651 -0.679 1.00 0.00 C ATOM 1237 O ASP A 79 -8.039 -16.656 -0.018 1.00 0.00 O ATOM 1238 CB ASP A 79 -10.238 -14.154 -0.155 1.00 0.00 C ATOM 1239 CG ASP A 79 -11.014 -15.450 -0.017 1.00 0.00 C ATOM 1240 OD1 ASP A 79 -11.206 -16.138 -1.041 1.00 0.00 O ATOM 1241 OD2 ASP A 79 -11.428 -15.775 1.115 1.00 0.00 O ATOM 0 H ASP A 79 -8.579 -12.385 -0.694 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.493 -14.431 1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.588 -13.443 0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.441 -13.715 -1.132 1.00 0.00 H new ATOM 1246 N ARG A 80 -8.239 -15.620 -2.006 1.00 0.00 N ATOM 1247 CA ARG A 80 -7.846 -16.792 -2.779 1.00 0.00 C ATOM 1248 C ARG A 80 -6.413 -17.203 -2.453 1.00 0.00 C ATOM 1249 O ARG A 80 -6.116 -18.388 -2.305 1.00 0.00 O ATOM 1250 CB ARG A 80 -7.978 -16.509 -4.277 1.00 0.00 C ATOM 1251 CG ARG A 80 -9.388 -16.700 -4.811 1.00 0.00 C ATOM 1252 CD ARG A 80 -9.430 -16.587 -6.327 1.00 0.00 C ATOM 1253 NE ARG A 80 -8.567 -17.572 -6.973 1.00 0.00 N ATOM 1254 CZ ARG A 80 -7.274 -17.377 -7.205 1.00 0.00 C ATOM 1255 NH1 ARG A 80 -6.697 -16.239 -6.845 1.00 0.00 N ATOM 1256 NH2 ARG A 80 -6.555 -18.322 -7.798 1.00 0.00 N ATOM 0 H ARG A 80 -8.454 -14.796 -2.568 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.511 -17.613 -2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.659 -15.485 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.300 -17.165 -4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.764 -17.677 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -10.049 -15.953 -4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.455 -16.721 -6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.122 -15.585 -6.625 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.980 -18.459 -7.262 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.246 -15.511 -6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.704 -16.092 -7.024 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.995 -19.199 -8.076 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.562 -18.171 -7.976 1.00 0.00 H new ATOM 1270 N GLU A 81 -5.530 -16.216 -2.343 1.00 0.00 N ATOM 1271 CA GLU A 81 -4.128 -16.476 -2.036 1.00 0.00 C ATOM 1272 C GLU A 81 -3.987 -17.167 -0.683 1.00 0.00 C ATOM 1273 O GLU A 81 -3.153 -18.055 -0.512 1.00 0.00 O ATOM 1274 CB GLU A 81 -3.331 -15.170 -2.040 1.00 0.00 C ATOM 1275 CG GLU A 81 -3.140 -14.577 -3.426 1.00 0.00 C ATOM 1276 CD GLU A 81 -1.855 -13.782 -3.548 1.00 0.00 C ATOM 1277 OE1 GLU A 81 -1.674 -12.824 -2.767 1.00 0.00 O ATOM 1278 OE2 GLU A 81 -1.031 -14.117 -4.425 1.00 0.00 O ATOM 0 H GLU A 81 -5.760 -15.229 -2.462 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.731 -17.138 -2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.841 -14.441 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.353 -15.350 -1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.138 -15.380 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.986 -13.931 -3.661 1.00 0.00 H new ATOM 1285 N MET A 82 -4.809 -16.752 0.276 1.00 0.00 N ATOM 1286 CA MET A 82 -4.776 -17.331 1.614 1.00 0.00 C ATOM 1287 C MET A 82 -5.158 -18.807 1.577 1.00 0.00 C ATOM 1288 O MET A 82 -4.640 -19.613 2.349 1.00 0.00 O ATOM 1289 CB MET A 82 -5.723 -16.570 2.545 1.00 0.00 C ATOM 1290 CG MET A 82 -5.066 -15.396 3.253 1.00 0.00 C ATOM 1291 SD MET A 82 -4.331 -15.861 4.832 1.00 0.00 S ATOM 1292 CE MET A 82 -2.591 -15.620 4.480 1.00 0.00 C ATOM 0 H MET A 82 -5.506 -16.017 0.151 1.00 0.00 H new ATOM 0 HA MET A 82 -3.758 -17.247 1.995 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.573 -16.206 1.967 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.117 -17.260 3.292 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.295 -14.973 2.608 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.808 -14.615 3.418 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.003 -15.868 5.364 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.294 -16.266 3.654 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.416 -14.579 4.208 1.00 0.00 H new ATOM 1302 N LYS A 83 -6.069 -19.155 0.674 1.00 0.00 N ATOM 1303 CA LYS A 83 -6.520 -20.535 0.535 1.00 0.00 C ATOM 1304 C LYS A 83 -5.337 -21.476 0.332 1.00 0.00 C ATOM 1305 O LYS A 83 -5.166 -22.443 1.075 1.00 0.00 O ATOM 1306 CB LYS A 83 -7.492 -20.659 -0.641 1.00 0.00 C ATOM 1307 CG LYS A 83 -8.728 -19.787 -0.503 1.00 0.00 C ATOM 1308 CD LYS A 83 -9.833 -20.502 0.256 1.00 0.00 C ATOM 1309 CE LYS A 83 -10.728 -21.298 -0.681 1.00 0.00 C ATOM 1310 NZ LYS A 83 -11.459 -20.416 -1.633 1.00 0.00 N ATOM 0 H LYS A 83 -6.509 -18.500 0.028 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.033 -20.818 1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.971 -20.394 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.801 -21.700 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.467 -18.864 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.088 -19.506 -1.493 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.394 -21.171 0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.432 -19.773 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.124 -22.013 -1.239 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.445 -21.874 -0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.330 -20.890 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.702 -19.522 -1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.856 -20.220 -2.457 1.00 0.00 H new ATOM 1324 N ASP A 84 -4.523 -21.188 -0.677 1.00 0.00 N ATOM 1325 CA ASP A 84 -3.355 -22.007 -0.976 1.00 0.00 C ATOM 1326 C ASP A 84 -2.313 -21.893 0.133 1.00 0.00 C ATOM 1327 O ASP A 84 -1.765 -22.896 0.589 1.00 0.00 O ATOM 1328 CB ASP A 84 -2.741 -21.591 -2.314 1.00 0.00 C ATOM 1329 CG ASP A 84 -3.404 -22.277 -3.493 1.00 0.00 C ATOM 1330 OD1 ASP A 84 -4.610 -22.040 -3.716 1.00 0.00 O ATOM 1331 OD2 ASP A 84 -2.716 -23.049 -4.192 1.00 0.00 O ATOM 0 H ASP A 84 -4.651 -20.392 -1.302 1.00 0.00 H new ATOM 0 HA ASP A 84 -3.678 -23.046 -1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -2.828 -20.511 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.677 -21.827 -2.311 1.00 0.00 H new ATOM 1336 N TYR A 85 -2.044 -20.664 0.560 1.00 0.00 N ATOM 1337 CA TYR A 85 -1.066 -20.418 1.613 1.00 0.00 C ATOM 1338 C TYR A 85 -1.337 -21.302 2.827 1.00 0.00 C ATOM 1339 O TYR A 85 -0.494 -22.103 3.227 1.00 0.00 O ATOM 1340 CB TYR A 85 -1.088 -18.945 2.025 1.00 0.00 C ATOM 1341 CG TYR A 85 0.238 -18.443 2.549 1.00 0.00 C ATOM 1342 CD1 TYR A 85 1.369 -18.438 1.743 1.00 0.00 C ATOM 1343 CD2 TYR A 85 0.360 -17.975 3.852 1.00 0.00 C ATOM 1344 CE1 TYR A 85 2.583 -17.980 2.218 1.00 0.00 C ATOM 1345 CE2 TYR A 85 1.570 -17.514 4.335 1.00 0.00 C ATOM 1346 CZ TYR A 85 2.678 -17.519 3.514 1.00 0.00 C ATOM 1347 OH TYR A 85 3.885 -17.063 3.992 1.00 0.00 O ATOM 0 H TYR A 85 -2.489 -19.823 0.193 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.079 -20.664 1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.382 -18.341 1.167 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.850 -18.802 2.792 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.298 -18.798 0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.505 -17.972 4.498 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.453 -17.983 1.578 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.647 -17.152 5.350 1.00 0.00 H new ATOM 0 HH TYR A 85 3.780 -16.773 4.922 1.00 0.00 H new ATOM 1357 N GLY A 86 -2.523 -21.148 3.409 1.00 0.00 N ATOM 1358 CA GLY A 86 -2.887 -21.938 4.571 1.00 0.00 C ATOM 1359 C GLY A 86 -4.131 -22.773 4.338 1.00 0.00 C ATOM 1360 O GLY A 86 -5.167 -22.253 3.926 1.00 0.00 O ATOM 0 H GLY A 86 -3.238 -20.491 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.057 -22.594 4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.052 -21.275 5.420 1.00 0.00 H new TER 1364 GLY A 86