USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 917 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 77 THR OG1 : rot -85:sc= 2.06 USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 39 GLN : amide:sc= 1.37 K(o=2.4,f=-3.1) USER MOD Set 2.2: A 41 TYR OH : rot -90:sc= -0.214 USER MOD Set 2.3: A 54 SER OG : rot 141:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0654 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc=-0.00889 (180deg=-0.161) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= -1.85 (180deg=-3.34!) USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= -1 (180deg=-2.49!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 41:sc= 0.584 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.878 USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= -0.0254 (180deg=-0.282) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 102:sc= 1.25 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.0073) USER MOD Single : A 50 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.2) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 26:sc= 0.0986 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= -2.02! (180deg=-2.54!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00826) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 MET CE :methyl -136:sc= -2.44! (180deg=-2.83!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.228 K(o=-0.23,f=-3.6!) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.604 F(o=-1.3,f=-0.6) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl -161:sc= -0.0436 (180deg=-0.345) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HE2:sc= -0.142 X(o=-0.14,f=-0.61) USER MOD Single : A 108 ASN :FLIP amide:sc= -0.0273 F(o=-0.56,f=-0.027) USER MOD Single : A 109 SER OG : rot 59:sc= 0.266 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 40:sc= 0.82 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.630 16.849 -0.961 1.00 0.00 N ATOM 2 CA GLY A 1 -25.384 15.459 -1.297 1.00 0.00 C ATOM 3 C GLY A 1 -24.968 14.636 -0.093 1.00 0.00 C ATOM 4 O GLY A 1 -24.650 15.185 0.962 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.614 17.093 -1.192 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.466 16.995 0.056 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.986 17.457 -1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.286 15.029 -1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.605 15.405 -2.057 1.00 0.00 H new ATOM 8 N SER A 2 -24.973 13.316 -0.250 1.00 0.00 N ATOM 9 CA SER A 2 -24.599 12.416 0.835 1.00 0.00 C ATOM 10 C SER A 2 -23.278 12.846 1.466 1.00 0.00 C ATOM 11 O SER A 2 -22.483 13.553 0.848 1.00 0.00 O ATOM 12 CB SER A 2 -24.487 10.980 0.319 1.00 0.00 C ATOM 13 OG SER A 2 -23.532 10.886 -0.724 1.00 0.00 O ATOM 0 H SER A 2 -25.232 12.846 -1.118 1.00 0.00 H new ATOM 0 HA SER A 2 -25.378 12.461 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.203 10.317 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.459 10.643 -0.042 1.00 0.00 H new ATOM 0 HG SER A 2 -23.478 9.958 -1.035 1.00 0.00 H new ATOM 19 N SER A 3 -23.052 12.414 2.703 1.00 0.00 N ATOM 20 CA SER A 3 -21.830 12.756 3.421 1.00 0.00 C ATOM 21 C SER A 3 -21.358 11.586 4.278 1.00 0.00 C ATOM 22 O SER A 3 -22.001 11.222 5.262 1.00 0.00 O ATOM 23 CB SER A 3 -22.058 13.987 4.301 1.00 0.00 C ATOM 24 OG SER A 3 -20.857 14.719 4.475 1.00 0.00 O ATOM 0 H SER A 3 -23.699 11.827 3.228 1.00 0.00 H new ATOM 0 HA SER A 3 -21.057 12.981 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.815 14.627 3.848 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.443 13.677 5.273 1.00 0.00 H new ATOM 0 HG SER A 3 -21.030 15.501 5.039 1.00 0.00 H new ATOM 30 N GLY A 4 -20.227 10.999 3.896 1.00 0.00 N ATOM 31 CA GLY A 4 -19.687 9.875 4.639 1.00 0.00 C ATOM 32 C GLY A 4 -18.863 10.313 5.833 1.00 0.00 C ATOM 33 O GLY A 4 -19.055 11.408 6.361 1.00 0.00 O ATOM 0 H GLY A 4 -19.676 11.282 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.506 9.241 4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.068 9.269 3.977 1.00 0.00 H new ATOM 37 N SER A 5 -17.943 9.454 6.262 1.00 0.00 N ATOM 38 CA SER A 5 -17.090 9.756 7.406 1.00 0.00 C ATOM 39 C SER A 5 -15.636 9.913 6.973 1.00 0.00 C ATOM 40 O SER A 5 -15.218 9.367 5.952 1.00 0.00 O ATOM 41 CB SER A 5 -17.204 8.652 8.459 1.00 0.00 C ATOM 42 OG SER A 5 -16.305 8.875 9.531 1.00 0.00 O ATOM 0 H SER A 5 -17.769 8.544 5.835 1.00 0.00 H new ATOM 0 HA SER A 5 -17.425 10.698 7.839 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.225 8.611 8.839 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.996 7.685 8.001 1.00 0.00 H new ATOM 0 HG SER A 5 -16.399 8.157 10.191 1.00 0.00 H new ATOM 48 N SER A 6 -14.870 10.665 7.757 1.00 0.00 N ATOM 49 CA SER A 6 -13.463 10.898 7.454 1.00 0.00 C ATOM 50 C SER A 6 -12.616 9.687 7.836 1.00 0.00 C ATOM 51 O SER A 6 -12.775 9.121 8.917 1.00 0.00 O ATOM 52 CB SER A 6 -12.959 12.140 8.192 1.00 0.00 C ATOM 53 OG SER A 6 -11.632 12.457 7.810 1.00 0.00 O ATOM 0 H SER A 6 -15.200 11.123 8.606 1.00 0.00 H new ATOM 0 HA SER A 6 -13.371 11.060 6.380 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.614 12.985 7.978 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.000 11.969 9.268 1.00 0.00 H new ATOM 0 HG SER A 6 -11.334 13.255 8.294 1.00 0.00 H new ATOM 59 N GLY A 7 -11.716 9.296 6.940 1.00 0.00 N ATOM 60 CA GLY A 7 -10.857 8.155 7.200 1.00 0.00 C ATOM 61 C GLY A 7 -9.479 8.564 7.680 1.00 0.00 C ATOM 62 O GLY A 7 -8.903 9.534 7.185 1.00 0.00 O ATOM 0 H GLY A 7 -11.566 9.749 6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.324 7.516 7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.760 7.562 6.290 1.00 0.00 H new ATOM 66 N LYS A 8 -8.947 7.825 8.648 1.00 0.00 N ATOM 67 CA LYS A 8 -7.628 8.116 9.196 1.00 0.00 C ATOM 68 C LYS A 8 -6.533 7.774 8.190 1.00 0.00 C ATOM 69 O LYS A 8 -6.515 6.680 7.625 1.00 0.00 O ATOM 70 CB LYS A 8 -7.407 7.332 10.492 1.00 0.00 C ATOM 71 CG LYS A 8 -7.525 5.827 10.320 1.00 0.00 C ATOM 72 CD LYS A 8 -7.737 5.128 11.652 1.00 0.00 C ATOM 73 CE LYS A 8 -9.150 5.341 12.174 1.00 0.00 C ATOM 74 NZ LYS A 8 -9.524 4.322 13.193 1.00 0.00 N ATOM 0 H LYS A 8 -9.410 7.020 9.069 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.579 9.183 9.411 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.418 7.568 10.885 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.133 7.662 11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.357 5.600 9.653 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.622 5.442 9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.547 4.061 11.538 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.018 5.504 12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.230 6.337 12.610 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.854 5.299 11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.493 4.501 13.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.472 3.373 12.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.868 4.379 13.998 1.00 0.00 H new ATOM 88 N LYS A 9 -5.621 8.715 7.972 1.00 0.00 N ATOM 89 CA LYS A 9 -4.521 8.513 7.037 1.00 0.00 C ATOM 90 C LYS A 9 -3.874 7.148 7.245 1.00 0.00 C ATOM 91 O LYS A 9 -3.603 6.744 8.376 1.00 0.00 O ATOM 92 CB LYS A 9 -3.474 9.617 7.203 1.00 0.00 C ATOM 93 CG LYS A 9 -2.725 9.943 5.923 1.00 0.00 C ATOM 94 CD LYS A 9 -1.349 10.519 6.213 1.00 0.00 C ATOM 95 CE LYS A 9 -1.441 11.941 6.743 1.00 0.00 C ATOM 96 NZ LYS A 9 -1.875 12.900 5.689 1.00 0.00 N ATOM 0 H LYS A 9 -5.622 9.626 8.431 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.925 8.553 6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.965 10.520 7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.757 9.314 7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.623 9.041 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.302 10.656 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.836 9.891 6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.749 10.507 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.144 11.973 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.470 12.246 7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.684 13.872 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.350 12.712 4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.894 12.786 5.514 1.00 0.00 H new ATOM 110 N LEU A 10 -3.627 6.442 6.147 1.00 0.00 N ATOM 111 CA LEU A 10 -3.009 5.122 6.208 1.00 0.00 C ATOM 112 C LEU A 10 -1.538 5.190 5.809 1.00 0.00 C ATOM 113 O LEU A 10 -1.211 5.404 4.641 1.00 0.00 O ATOM 114 CB LEU A 10 -3.753 4.146 5.295 1.00 0.00 C ATOM 115 CG LEU A 10 -3.058 2.809 5.035 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.227 1.879 6.226 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.603 2.163 3.769 1.00 0.00 C ATOM 0 H LEU A 10 -3.845 6.762 5.203 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.071 4.766 7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.732 3.945 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.926 4.636 4.337 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.993 2.995 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.726 0.933 6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.789 2.339 7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.288 1.698 6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.097 1.212 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.673 1.990 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.429 2.824 2.920 1.00 0.00 H new ATOM 129 N CYS A 11 -0.657 5.004 6.785 1.00 0.00 N ATOM 130 CA CYS A 11 0.780 5.043 6.536 1.00 0.00 C ATOM 131 C CYS A 11 1.508 4.012 7.392 1.00 0.00 C ATOM 132 O CYS A 11 0.944 3.467 8.340 1.00 0.00 O ATOM 133 CB CYS A 11 1.331 6.441 6.820 1.00 0.00 C ATOM 134 SG CYS A 11 1.085 6.999 8.522 1.00 0.00 S ATOM 0 H CYS A 11 -0.912 4.825 7.756 1.00 0.00 H new ATOM 0 HA CYS A 11 0.948 4.801 5.487 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.398 6.452 6.596 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.856 7.152 6.144 1.00 0.00 H new ATOM 0 HG CYS A 11 1.586 8.190 8.665 1.00 0.00 H new ATOM 140 N GLY A 12 2.766 3.749 7.050 1.00 0.00 N ATOM 141 CA GLY A 12 3.551 2.783 7.797 1.00 0.00 C ATOM 142 C GLY A 12 4.798 2.349 7.052 1.00 0.00 C ATOM 143 O GLY A 12 4.832 2.369 5.821 1.00 0.00 O ATOM 0 H GLY A 12 3.255 4.187 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.836 3.215 8.756 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.937 1.908 8.012 1.00 0.00 H new ATOM 147 N TYR A 13 5.825 1.959 7.798 1.00 0.00 N ATOM 148 CA TYR A 13 7.081 1.522 7.201 1.00 0.00 C ATOM 149 C TYR A 13 7.004 0.059 6.776 1.00 0.00 C ATOM 150 O TYR A 13 6.450 -0.778 7.490 1.00 0.00 O ATOM 151 CB TYR A 13 8.234 1.719 8.187 1.00 0.00 C ATOM 152 CG TYR A 13 8.703 3.152 8.292 1.00 0.00 C ATOM 153 CD1 TYR A 13 8.097 4.038 9.174 1.00 0.00 C ATOM 154 CD2 TYR A 13 9.751 3.621 7.510 1.00 0.00 C ATOM 155 CE1 TYR A 13 8.521 5.349 9.274 1.00 0.00 C ATOM 156 CE2 TYR A 13 10.183 4.929 7.604 1.00 0.00 C ATOM 157 CZ TYR A 13 9.565 5.790 8.487 1.00 0.00 C ATOM 158 OH TYR A 13 9.992 7.095 8.583 1.00 0.00 O ATOM 0 H TYR A 13 5.812 1.937 8.818 1.00 0.00 H new ATOM 0 HA TYR A 13 7.262 2.129 6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.921 1.375 9.173 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.072 1.093 7.882 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.280 3.696 9.792 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.236 2.951 6.816 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.038 6.025 9.964 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.000 5.276 6.989 1.00 0.00 H new ATOM 0 HH TYR A 13 10.736 7.242 7.962 1.00 0.00 H new ATOM 168 N LEU A 14 7.563 -0.242 5.610 1.00 0.00 N ATOM 169 CA LEU A 14 7.560 -1.605 5.089 1.00 0.00 C ATOM 170 C LEU A 14 8.936 -1.987 4.554 1.00 0.00 C ATOM 171 O LEU A 14 9.821 -1.141 4.429 1.00 0.00 O ATOM 172 CB LEU A 14 6.513 -1.745 3.982 1.00 0.00 C ATOM 173 CG LEU A 14 5.054 -1.593 4.415 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.122 -1.813 3.234 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.728 -2.562 5.542 1.00 0.00 C ATOM 0 H LEU A 14 8.024 0.439 5.007 1.00 0.00 H new ATOM 0 HA LEU A 14 7.309 -2.280 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.723 -1.000 3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.633 -2.724 3.517 1.00 0.00 H new ATOM 0 HG LEU A 14 4.908 -0.577 4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.088 -1.701 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.339 -1.079 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.270 -2.817 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.686 -2.440 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.891 -3.584 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.373 -2.357 6.396 1.00 0.00 H new ATOM 187 N SER A 15 9.108 -3.267 4.239 1.00 0.00 N ATOM 188 CA SER A 15 10.377 -3.762 3.719 1.00 0.00 C ATOM 189 C SER A 15 10.208 -4.312 2.305 1.00 0.00 C ATOM 190 O SER A 15 9.679 -5.406 2.111 1.00 0.00 O ATOM 191 CB SER A 15 10.939 -4.849 4.637 1.00 0.00 C ATOM 192 OG SER A 15 11.667 -4.282 5.712 1.00 0.00 O ATOM 0 H SER A 15 8.385 -3.980 4.335 1.00 0.00 H new ATOM 0 HA SER A 15 11.077 -2.927 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.123 -5.458 5.027 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.587 -5.513 4.065 1.00 0.00 H new ATOM 0 HG SER A 15 12.014 -4.997 6.285 1.00 0.00 H new ATOM 198 N LYS A 16 10.662 -3.543 1.321 1.00 0.00 N ATOM 199 CA LYS A 16 10.563 -3.951 -0.076 1.00 0.00 C ATOM 200 C LYS A 16 11.661 -4.948 -0.431 1.00 0.00 C ATOM 201 O LYS A 16 12.824 -4.760 -0.072 1.00 0.00 O ATOM 202 CB LYS A 16 10.653 -2.729 -0.993 1.00 0.00 C ATOM 203 CG LYS A 16 11.036 -3.069 -2.423 1.00 0.00 C ATOM 204 CD LYS A 16 10.424 -2.090 -3.411 1.00 0.00 C ATOM 205 CE LYS A 16 9.060 -2.562 -3.891 1.00 0.00 C ATOM 206 NZ LYS A 16 9.165 -3.417 -5.106 1.00 0.00 N ATOM 0 H LYS A 16 11.102 -2.634 1.465 1.00 0.00 H new ATOM 0 HA LYS A 16 9.597 -4.435 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.692 -2.215 -0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.385 -2.032 -0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.121 -3.057 -2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.705 -4.080 -2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.327 -1.111 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.090 -1.970 -4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.568 -3.121 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.432 -1.698 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.445 -4.167 -5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.012 -2.835 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.111 -3.847 -5.147 1.00 0.00 H new ATOM 220 N PHE A 17 11.286 -6.008 -1.138 1.00 0.00 N ATOM 221 CA PHE A 17 12.240 -7.035 -1.542 1.00 0.00 C ATOM 222 C PHE A 17 12.703 -6.812 -2.979 1.00 0.00 C ATOM 223 O PHE A 17 12.015 -6.170 -3.772 1.00 0.00 O ATOM 224 CB PHE A 17 11.615 -8.424 -1.405 1.00 0.00 C ATOM 225 CG PHE A 17 12.626 -9.525 -1.262 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.638 -9.436 -0.319 1.00 0.00 C ATOM 227 CD2 PHE A 17 12.565 -10.650 -2.069 1.00 0.00 C ATOM 228 CE1 PHE A 17 14.570 -10.447 -0.186 1.00 0.00 C ATOM 229 CE2 PHE A 17 13.494 -11.665 -1.940 1.00 0.00 C ATOM 230 CZ PHE A 17 14.498 -11.564 -0.996 1.00 0.00 C ATOM 0 H PHE A 17 10.328 -6.179 -1.444 1.00 0.00 H new ATOM 0 HA PHE A 17 13.107 -6.969 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.955 -8.433 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.995 -8.622 -2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.699 -8.567 0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.782 -10.735 -2.808 1.00 0.00 H new ATOM 0 HE1 PHE A 17 15.355 -10.364 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 17 13.435 -12.536 -2.576 1.00 0.00 H new ATOM 0 HZ PHE A 17 15.225 -12.356 -0.892 1.00 0.00 H new ATOM 240 N GLY A 18 13.875 -7.348 -3.307 1.00 0.00 N ATOM 241 CA GLY A 18 14.410 -7.197 -4.647 1.00 0.00 C ATOM 242 C GLY A 18 14.863 -5.779 -4.934 1.00 0.00 C ATOM 243 O GLY A 18 15.730 -5.245 -4.244 1.00 0.00 O ATOM 0 H GLY A 18 14.463 -7.884 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.251 -7.877 -4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.650 -7.486 -5.373 1.00 0.00 H new ATOM 247 N GLY A 19 14.275 -5.167 -5.958 1.00 0.00 N ATOM 248 CA GLY A 19 14.638 -3.809 -6.318 1.00 0.00 C ATOM 249 C GLY A 19 15.826 -3.755 -7.258 1.00 0.00 C ATOM 250 O GLY A 19 16.080 -4.701 -8.005 1.00 0.00 O ATOM 0 H GLY A 19 13.554 -5.588 -6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.784 -3.321 -6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.869 -3.246 -5.414 1.00 0.00 H new ATOM 254 N LYS A 20 16.556 -2.646 -7.223 1.00 0.00 N ATOM 255 CA LYS A 20 17.725 -2.471 -8.078 1.00 0.00 C ATOM 256 C LYS A 20 18.886 -3.334 -7.595 1.00 0.00 C ATOM 257 O LYS A 20 19.556 -3.001 -6.619 1.00 0.00 O ATOM 258 CB LYS A 20 18.146 -1.000 -8.107 1.00 0.00 C ATOM 259 CG LYS A 20 18.837 -0.591 -9.396 1.00 0.00 C ATOM 260 CD LYS A 20 19.083 0.908 -9.445 1.00 0.00 C ATOM 261 CE LYS A 20 17.875 1.653 -9.991 1.00 0.00 C ATOM 262 NZ LYS A 20 16.768 1.719 -8.998 1.00 0.00 N ATOM 0 H LYS A 20 16.359 -1.854 -6.611 1.00 0.00 H new ATOM 0 HA LYS A 20 17.457 -2.785 -9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 20 17.264 -0.375 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 20 18.815 -0.805 -7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 20 19.786 -1.120 -9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.226 -0.888 -10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 20 19.315 1.273 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 20 19.952 1.115 -10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.169 2.664 -10.274 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.522 1.158 -10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.238 2.605 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.129 0.910 -9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.162 1.688 -8.036 1.00 0.00 H new ATOM 276 N GLY A 21 19.120 -4.445 -8.288 1.00 0.00 N ATOM 277 CA GLY A 21 20.202 -5.338 -7.915 1.00 0.00 C ATOM 278 C GLY A 21 20.041 -6.723 -8.508 1.00 0.00 C ATOM 279 O GLY A 21 18.931 -7.233 -8.658 1.00 0.00 O ATOM 0 H GLY A 21 18.580 -4.742 -9.101 1.00 0.00 H new ATOM 0 HA2 GLY A 21 21.150 -4.913 -8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 21 20.248 -5.414 -6.829 1.00 0.00 H new ATOM 283 N PRO A 22 21.171 -7.356 -8.859 1.00 0.00 N ATOM 284 CA PRO A 22 21.177 -8.699 -9.446 1.00 0.00 C ATOM 285 C PRO A 22 20.772 -9.772 -8.442 1.00 0.00 C ATOM 286 O PRO A 22 20.646 -10.946 -8.791 1.00 0.00 O ATOM 287 CB PRO A 22 22.633 -8.892 -9.876 1.00 0.00 C ATOM 288 CG PRO A 22 23.415 -7.993 -8.981 1.00 0.00 C ATOM 289 CD PRO A 22 22.530 -6.808 -8.708 1.00 0.00 C ATOM 0 HA PRO A 22 20.461 -8.790 -10.263 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.944 -9.931 -9.764 1.00 0.00 H new ATOM 0 HB3 PRO A 22 22.775 -8.628 -10.924 1.00 0.00 H new ATOM 0 HG2 PRO A 22 23.683 -8.501 -8.055 1.00 0.00 H new ATOM 0 HG3 PRO A 22 24.346 -7.684 -9.456 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.693 -6.407 -7.708 1.00 0.00 H new ATOM 0 HD3 PRO A 22 22.717 -5.996 -9.411 1.00 0.00 H new ATOM 297 N ILE A 23 20.568 -9.362 -7.194 1.00 0.00 N ATOM 298 CA ILE A 23 20.175 -10.290 -6.140 1.00 0.00 C ATOM 299 C ILE A 23 18.896 -9.828 -5.450 1.00 0.00 C ATOM 300 O ILE A 23 18.431 -8.708 -5.667 1.00 0.00 O ATOM 301 CB ILE A 23 21.287 -10.447 -5.086 1.00 0.00 C ATOM 302 CG1 ILE A 23 21.472 -9.141 -4.310 1.00 0.00 C ATOM 303 CG2 ILE A 23 22.590 -10.865 -5.748 1.00 0.00 C ATOM 304 CD1 ILE A 23 22.258 -8.094 -5.068 1.00 0.00 C ATOM 0 H ILE A 23 20.668 -8.394 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 23 19.999 -11.254 -6.617 1.00 0.00 H new ATOM 0 HB ILE A 23 20.993 -11.227 -4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 23 20.492 -8.736 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 23 21.980 -9.355 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 23 23.366 -10.972 -4.990 1.00 0.00 H new ATOM 0 HG22 ILE A 23 22.449 -11.817 -6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 23 22.891 -10.106 -6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.350 -7.196 -4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.251 -8.480 -5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 23 21.740 -7.851 -5.996 1.00 0.00 H new ATOM 316 N ARG A 24 18.333 -10.696 -4.617 1.00 0.00 N ATOM 317 CA ARG A 24 17.108 -10.377 -3.894 1.00 0.00 C ATOM 318 C ARG A 24 17.401 -10.106 -2.421 1.00 0.00 C ATOM 319 O ARG A 24 18.029 -10.917 -1.742 1.00 0.00 O ATOM 320 CB ARG A 24 16.102 -11.523 -4.022 1.00 0.00 C ATOM 321 CG ARG A 24 15.760 -11.875 -5.460 1.00 0.00 C ATOM 322 CD ARG A 24 14.379 -12.501 -5.567 1.00 0.00 C ATOM 323 NE ARG A 24 13.972 -12.697 -6.956 1.00 0.00 N ATOM 324 CZ ARG A 24 12.706 -12.797 -7.344 1.00 0.00 C ATOM 325 NH1 ARG A 24 11.728 -12.721 -6.452 1.00 0.00 N ATOM 326 NH2 ARG A 24 12.416 -12.974 -8.627 1.00 0.00 N ATOM 0 H ARG A 24 18.706 -11.626 -4.426 1.00 0.00 H new ATOM 0 HA ARG A 24 16.680 -9.476 -4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 24 16.505 -12.406 -3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.187 -11.252 -3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.802 -10.976 -6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.505 -12.566 -5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.375 -13.460 -5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.652 -11.864 -5.063 1.00 0.00 H new ATOM 0 HE ARG A 24 14.700 -12.761 -7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.947 -12.585 -5.465 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.756 -12.798 -6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.166 -13.033 -9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.443 -13.051 -8.924 1.00 0.00 H new ATOM 340 N GLY A 25 16.942 -8.957 -1.933 1.00 0.00 N ATOM 341 CA GLY A 25 17.165 -8.599 -0.545 1.00 0.00 C ATOM 342 C GLY A 25 16.154 -7.589 -0.037 1.00 0.00 C ATOM 343 O GLY A 25 15.689 -6.734 -0.791 1.00 0.00 O ATOM 0 H GLY A 25 16.420 -8.268 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.118 -9.497 0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.169 -8.190 -0.435 1.00 0.00 H new ATOM 347 N TRP A 26 15.812 -7.690 1.242 1.00 0.00 N ATOM 348 CA TRP A 26 14.848 -6.779 1.849 1.00 0.00 C ATOM 349 C TRP A 26 15.473 -5.410 2.095 1.00 0.00 C ATOM 350 O TRP A 26 16.674 -5.299 2.344 1.00 0.00 O ATOM 351 CB TRP A 26 14.326 -7.358 3.165 1.00 0.00 C ATOM 352 CG TRP A 26 13.558 -8.633 2.989 1.00 0.00 C ATOM 353 CD1 TRP A 26 14.019 -9.903 3.193 1.00 0.00 C ATOM 354 CD2 TRP A 26 12.195 -8.762 2.570 1.00 0.00 C ATOM 355 NE1 TRP A 26 13.024 -10.812 2.927 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.895 -10.138 2.544 1.00 0.00 C ATOM 357 CE3 TRP A 26 11.198 -7.848 2.217 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.641 -10.619 2.177 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.954 -8.328 1.853 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.684 -9.703 1.836 1.00 0.00 C ATOM 0 H TRP A 26 16.187 -8.393 1.879 1.00 0.00 H new ATOM 0 HA TRP A 26 14.014 -6.659 1.157 1.00 0.00 H new ATOM 0 HB2 TRP A 26 15.168 -7.538 3.834 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.686 -6.621 3.650 1.00 0.00 H new ATOM 0 HD1 TRP A 26 15.018 -10.155 3.516 1.00 0.00 H new ATOM 0 HE1 TRP A 26 13.112 -11.825 3.003 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.396 -6.786 2.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.431 -11.678 2.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 9.176 -7.631 1.577 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.701 -10.046 1.548 1.00 0.00 H new ATOM 371 N LYS A 27 14.651 -4.368 2.023 1.00 0.00 N ATOM 372 CA LYS A 27 15.123 -3.005 2.240 1.00 0.00 C ATOM 373 C LYS A 27 14.106 -2.198 3.041 1.00 0.00 C ATOM 374 O LYS A 27 12.933 -2.122 2.675 1.00 0.00 O ATOM 375 CB LYS A 27 15.393 -2.318 0.899 1.00 0.00 C ATOM 376 CG LYS A 27 16.707 -2.730 0.258 1.00 0.00 C ATOM 377 CD LYS A 27 16.530 -3.936 -0.650 1.00 0.00 C ATOM 378 CE LYS A 27 17.566 -3.952 -1.763 1.00 0.00 C ATOM 379 NZ LYS A 27 18.870 -4.501 -1.299 1.00 0.00 N ATOM 0 H LYS A 27 13.655 -4.441 1.816 1.00 0.00 H new ATOM 0 HA LYS A 27 16.051 -3.054 2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.577 -2.545 0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.394 -1.238 1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.110 -1.896 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.435 -2.962 1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.612 -4.850 -0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.530 -3.923 -1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.196 -4.550 -2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.711 -2.939 -2.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.549 -4.495 -2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.236 -3.915 -0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.737 -5.477 -0.964 1.00 0.00 H new ATOM 393 N SER A 28 14.563 -1.597 4.134 1.00 0.00 N ATOM 394 CA SER A 28 13.692 -0.797 4.988 1.00 0.00 C ATOM 395 C SER A 28 13.339 0.526 4.316 1.00 0.00 C ATOM 396 O SER A 28 14.172 1.428 4.220 1.00 0.00 O ATOM 397 CB SER A 28 14.366 -0.534 6.336 1.00 0.00 C ATOM 398 OG SER A 28 15.626 0.090 6.163 1.00 0.00 O ATOM 0 H SER A 28 15.532 -1.648 4.450 1.00 0.00 H new ATOM 0 HA SER A 28 12.772 -1.357 5.153 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.725 0.099 6.950 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.493 -1.474 6.872 1.00 0.00 H new ATOM 0 HG SER A 28 15.562 0.766 5.456 1.00 0.00 H new ATOM 404 N ARG A 29 12.098 0.635 3.853 1.00 0.00 N ATOM 405 CA ARG A 29 11.634 1.848 3.189 1.00 0.00 C ATOM 406 C ARG A 29 10.385 2.398 3.873 1.00 0.00 C ATOM 407 O ARG A 29 9.806 1.749 4.744 1.00 0.00 O ATOM 408 CB ARG A 29 11.339 1.566 1.715 1.00 0.00 C ATOM 409 CG ARG A 29 12.565 1.152 0.917 1.00 0.00 C ATOM 410 CD ARG A 29 12.499 1.666 -0.513 1.00 0.00 C ATOM 411 NE ARG A 29 13.139 0.751 -1.453 1.00 0.00 N ATOM 412 CZ ARG A 29 14.445 0.742 -1.697 1.00 0.00 C ATOM 413 NH1 ARG A 29 15.245 1.595 -1.072 1.00 0.00 N ATOM 414 NH2 ARG A 29 14.953 -0.121 -2.567 1.00 0.00 N ATOM 0 H ARG A 29 11.396 -0.101 3.925 1.00 0.00 H new ATOM 0 HA ARG A 29 12.424 2.596 3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.589 0.778 1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.906 2.458 1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.463 1.536 1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.646 0.065 0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.457 1.809 -0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.982 2.641 -0.570 1.00 0.00 H new ATOM 0 HE ARG A 29 12.551 0.082 -1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.858 2.260 -0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.247 1.586 -1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.341 -0.779 -3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.956 -0.127 -2.753 1.00 0.00 H new ATOM 428 N TRP A 30 9.977 3.596 3.471 1.00 0.00 N ATOM 429 CA TRP A 30 8.798 4.233 4.046 1.00 0.00 C ATOM 430 C TRP A 30 7.646 4.247 3.047 1.00 0.00 C ATOM 431 O TRP A 30 7.789 4.735 1.926 1.00 0.00 O ATOM 432 CB TRP A 30 9.127 5.662 4.483 1.00 0.00 C ATOM 433 CG TRP A 30 7.912 6.520 4.671 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.525 7.574 3.894 1.00 0.00 C ATOM 435 CD2 TRP A 30 6.928 6.398 5.704 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.360 8.114 4.381 1.00 0.00 N ATOM 437 CE2 TRP A 30 5.972 7.410 5.491 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.760 5.530 6.787 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.868 7.578 6.321 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.663 5.698 7.610 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.728 6.715 7.374 1.00 0.00 C ATOM 0 H TRP A 30 10.444 4.145 2.750 1.00 0.00 H new ATOM 0 HA TRP A 30 8.492 3.655 4.918 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.688 5.629 5.417 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.776 6.122 3.738 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.057 7.931 3.024 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.864 8.910 3.981 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.475 4.743 6.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.147 8.362 6.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.524 5.034 8.450 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.881 6.820 8.036 1.00 0.00 H new ATOM 452 N PHE A 31 6.503 3.708 3.460 1.00 0.00 N ATOM 453 CA PHE A 31 5.327 3.658 2.601 1.00 0.00 C ATOM 454 C PHE A 31 4.185 4.480 3.192 1.00 0.00 C ATOM 455 O PHE A 31 3.928 4.430 4.396 1.00 0.00 O ATOM 456 CB PHE A 31 4.877 2.210 2.400 1.00 0.00 C ATOM 457 CG PHE A 31 5.776 1.423 1.490 1.00 0.00 C ATOM 458 CD1 PHE A 31 7.015 0.984 1.929 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.383 1.122 0.196 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.845 0.261 1.094 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.209 0.398 -0.644 1.00 0.00 C ATOM 462 CZ PHE A 31 7.441 -0.034 -0.194 1.00 0.00 C ATOM 0 H PHE A 31 6.367 3.300 4.385 1.00 0.00 H new ATOM 0 HA PHE A 31 5.596 4.085 1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.831 1.714 3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.866 2.206 1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.335 1.210 2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.420 1.457 -0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.809 -0.073 1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.891 0.171 -1.651 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.087 -0.601 -0.847 1.00 0.00 H new ATOM 472 N PHE A 32 3.504 5.236 2.338 1.00 0.00 N ATOM 473 CA PHE A 32 2.390 6.070 2.776 1.00 0.00 C ATOM 474 C PHE A 32 1.330 6.178 1.684 1.00 0.00 C ATOM 475 O PHE A 32 1.650 6.286 0.500 1.00 0.00 O ATOM 476 CB PHE A 32 2.890 7.465 3.157 1.00 0.00 C ATOM 477 CG PHE A 32 3.309 8.295 1.977 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.361 8.878 1.152 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.651 8.491 1.693 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.744 9.642 0.065 1.00 0.00 C ATOM 481 CE2 PHE A 32 5.039 9.254 0.608 1.00 0.00 C ATOM 482 CZ PHE A 32 4.085 9.830 -0.207 1.00 0.00 C ATOM 0 H PHE A 32 3.703 5.289 1.339 1.00 0.00 H new ATOM 0 HA PHE A 32 1.939 5.601 3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.102 7.989 3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.734 7.366 3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.311 8.734 1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.402 8.043 2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.995 10.091 -0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.088 9.400 0.398 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.387 10.426 -1.055 1.00 0.00 H new ATOM 492 N TYR A 33 0.066 6.147 2.091 1.00 0.00 N ATOM 493 CA TYR A 33 -1.043 6.238 1.148 1.00 0.00 C ATOM 494 C TYR A 33 -1.360 7.694 0.819 1.00 0.00 C ATOM 495 O TYR A 33 -1.308 8.564 1.688 1.00 0.00 O ATOM 496 CB TYR A 33 -2.284 5.551 1.721 1.00 0.00 C ATOM 497 CG TYR A 33 -3.506 5.675 0.838 1.00 0.00 C ATOM 498 CD1 TYR A 33 -3.746 4.762 -0.182 1.00 0.00 C ATOM 499 CD2 TYR A 33 -4.421 6.704 1.026 1.00 0.00 C ATOM 500 CE1 TYR A 33 -4.860 4.872 -0.990 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.539 6.820 0.223 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.754 5.903 -0.784 1.00 0.00 C ATOM 503 OH TYR A 33 -6.866 6.015 -1.587 1.00 0.00 O ATOM 0 H TYR A 33 -0.216 6.060 3.067 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.748 5.733 0.228 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.065 4.495 1.878 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.507 5.979 2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.049 3.953 -0.345 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.255 7.425 1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.031 4.155 -1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.241 7.625 0.383 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.393 6.793 -1.309 1.00 0.00 H new ATOM 513 N ASP A 34 -1.690 7.950 -0.442 1.00 0.00 N ATOM 514 CA ASP A 34 -2.018 9.299 -0.888 1.00 0.00 C ATOM 515 C ASP A 34 -3.491 9.402 -1.271 1.00 0.00 C ATOM 516 O ASP A 34 -3.873 9.078 -2.395 1.00 0.00 O ATOM 517 CB ASP A 34 -1.140 9.694 -2.076 1.00 0.00 C ATOM 518 CG ASP A 34 -1.098 11.194 -2.291 1.00 0.00 C ATOM 519 OD1 ASP A 34 -0.845 11.926 -1.313 1.00 0.00 O ATOM 520 OD2 ASP A 34 -1.318 11.635 -3.439 1.00 0.00 O ATOM 0 H ASP A 34 -1.737 7.241 -1.174 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.828 9.984 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.127 9.325 -1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.515 9.211 -2.978 1.00 0.00 H new ATOM 525 N GLU A 35 -4.313 9.852 -0.328 1.00 0.00 N ATOM 526 CA GLU A 35 -5.744 9.995 -0.568 1.00 0.00 C ATOM 527 C GLU A 35 -6.019 11.119 -1.563 1.00 0.00 C ATOM 528 O GLU A 35 -7.167 11.368 -1.932 1.00 0.00 O ATOM 529 CB GLU A 35 -6.478 10.271 0.746 1.00 0.00 C ATOM 530 CG GLU A 35 -5.794 11.308 1.620 1.00 0.00 C ATOM 531 CD GLU A 35 -4.768 10.698 2.555 1.00 0.00 C ATOM 532 OE1 GLU A 35 -5.167 9.915 3.442 1.00 0.00 O ATOM 533 OE2 GLU A 35 -3.567 11.004 2.399 1.00 0.00 O ATOM 0 H GLU A 35 -4.013 10.123 0.608 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.111 9.060 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.491 10.607 0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.567 9.339 1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.307 12.048 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.546 11.836 2.206 1.00 0.00 H new ATOM 540 N ARG A 36 -4.958 11.794 -1.993 1.00 0.00 N ATOM 541 CA ARG A 36 -5.085 12.892 -2.943 1.00 0.00 C ATOM 542 C ARG A 36 -5.183 12.366 -4.372 1.00 0.00 C ATOM 543 O ARG A 36 -5.981 12.854 -5.172 1.00 0.00 O ATOM 544 CB ARG A 36 -3.893 13.843 -2.819 1.00 0.00 C ATOM 545 CG ARG A 36 -3.603 14.272 -1.390 1.00 0.00 C ATOM 546 CD ARG A 36 -2.143 14.657 -1.209 1.00 0.00 C ATOM 547 NE ARG A 36 -1.900 16.057 -1.546 1.00 0.00 N ATOM 548 CZ ARG A 36 -2.270 17.073 -0.776 1.00 0.00 C ATOM 549 NH1 ARG A 36 -2.896 16.847 0.371 1.00 0.00 N ATOM 550 NH2 ARG A 36 -2.012 18.320 -1.151 1.00 0.00 N ATOM 0 H ARG A 36 -4.001 11.600 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.001 13.436 -2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.008 13.358 -3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.082 14.730 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.239 15.117 -1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.854 13.460 -0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.846 14.476 -0.176 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.520 14.020 -1.836 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.420 16.266 -2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.094 15.890 0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.179 17.630 0.960 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.529 18.498 -2.032 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.297 19.100 -0.559 1.00 0.00 H new ATOM 564 N LYS A 37 -4.365 11.367 -4.687 1.00 0.00 N ATOM 565 CA LYS A 37 -4.359 10.773 -6.018 1.00 0.00 C ATOM 566 C LYS A 37 -4.736 9.297 -5.957 1.00 0.00 C ATOM 567 O LYS A 37 -4.515 8.550 -6.911 1.00 0.00 O ATOM 568 CB LYS A 37 -2.980 10.932 -6.664 1.00 0.00 C ATOM 569 CG LYS A 37 -2.471 12.363 -6.665 1.00 0.00 C ATOM 570 CD LYS A 37 -1.010 12.435 -7.078 1.00 0.00 C ATOM 571 CE LYS A 37 -0.542 13.875 -7.224 1.00 0.00 C ATOM 572 NZ LYS A 37 -1.237 14.573 -8.341 1.00 0.00 N ATOM 0 H LYS A 37 -3.697 10.952 -4.037 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.100 11.294 -6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.265 10.301 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.025 10.570 -7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.073 12.964 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.591 12.793 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.396 11.925 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.871 11.909 -8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.722 14.412 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.534 13.891 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.726 15.448 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.262 13.953 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.209 14.806 -8.054 1.00 0.00 H new ATOM 586 N CYS A 38 -5.306 8.883 -4.831 1.00 0.00 N ATOM 587 CA CYS A 38 -5.715 7.495 -4.647 1.00 0.00 C ATOM 588 C CYS A 38 -4.601 6.540 -5.062 1.00 0.00 C ATOM 589 O CYS A 38 -4.847 5.537 -5.732 1.00 0.00 O ATOM 590 CB CYS A 38 -6.981 7.202 -5.454 1.00 0.00 C ATOM 591 SG CYS A 38 -8.415 8.188 -4.961 1.00 0.00 S ATOM 0 H CYS A 38 -5.495 9.488 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.925 7.342 -3.588 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.776 7.381 -6.509 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.228 6.145 -5.352 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.435 7.871 -5.702 1.00 0.00 H new ATOM 597 N GLN A 39 -3.374 6.860 -4.662 1.00 0.00 N ATOM 598 CA GLN A 39 -2.222 6.032 -4.995 1.00 0.00 C ATOM 599 C GLN A 39 -1.338 5.812 -3.772 1.00 0.00 C ATOM 600 O GLN A 39 -1.362 6.600 -2.825 1.00 0.00 O ATOM 601 CB GLN A 39 -1.408 6.680 -6.117 1.00 0.00 C ATOM 602 CG GLN A 39 -1.842 6.249 -7.509 1.00 0.00 C ATOM 603 CD GLN A 39 -0.819 6.597 -8.572 1.00 0.00 C ATOM 604 OE1 GLN A 39 0.252 7.126 -8.271 1.00 0.00 O ATOM 605 NE2 GLN A 39 -1.142 6.300 -9.825 1.00 0.00 N ATOM 0 H GLN A 39 -3.153 7.687 -4.107 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.589 5.063 -5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.494 7.764 -6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.355 6.433 -5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.015 5.173 -7.515 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.791 6.726 -7.754 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.040 5.862 -10.030 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.492 6.510 -10.583 1.00 0.00 H new ATOM 614 N LEU A 40 -0.559 4.736 -3.797 1.00 0.00 N ATOM 615 CA LEU A 40 0.334 4.411 -2.690 1.00 0.00 C ATOM 616 C LEU A 40 1.771 4.805 -3.015 1.00 0.00 C ATOM 617 O LEU A 40 2.424 4.177 -3.848 1.00 0.00 O ATOM 618 CB LEU A 40 0.262 2.917 -2.372 1.00 0.00 C ATOM 619 CG LEU A 40 1.085 2.445 -1.173 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.473 2.948 0.125 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.190 0.927 -1.162 1.00 0.00 C ATOM 0 H LEU A 40 -0.528 4.074 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 40 0.010 4.978 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.781 2.653 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.588 2.363 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 40 2.090 2.858 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.072 2.602 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.451 4.038 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.543 2.565 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.779 0.609 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.192 0.494 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.674 0.589 -2.078 1.00 0.00 H new ATOM 633 N TYR A 41 2.258 5.848 -2.351 1.00 0.00 N ATOM 634 CA TYR A 41 3.618 6.326 -2.570 1.00 0.00 C ATOM 635 C TYR A 41 4.537 5.894 -1.431 1.00 0.00 C ATOM 636 O TYR A 41 4.109 5.779 -0.283 1.00 0.00 O ATOM 637 CB TYR A 41 3.630 7.850 -2.700 1.00 0.00 C ATOM 638 CG TYR A 41 2.762 8.369 -3.824 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.376 8.334 -3.730 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.327 8.894 -4.979 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.579 8.806 -4.754 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.537 9.370 -6.008 1.00 0.00 C ATOM 643 CZ TYR A 41 1.164 9.323 -5.891 1.00 0.00 C ATOM 644 OH TYR A 41 0.373 9.796 -6.914 1.00 0.00 O ATOM 0 H TYR A 41 1.731 6.378 -1.657 1.00 0.00 H new ATOM 0 HA TYR A 41 3.986 5.886 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.294 8.289 -1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.655 8.185 -2.860 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.914 7.931 -2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.402 8.931 -5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.497 8.771 -4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.992 9.777 -6.899 1.00 0.00 H new ATOM 0 HH TYR A 41 0.177 9.068 -7.540 1.00 0.00 H new ATOM 654 N TYR A 42 5.802 5.658 -1.759 1.00 0.00 N ATOM 655 CA TYR A 42 6.783 5.237 -0.765 1.00 0.00 C ATOM 656 C TYR A 42 8.163 5.800 -1.090 1.00 0.00 C ATOM 657 O TYR A 42 8.549 5.894 -2.255 1.00 0.00 O ATOM 658 CB TYR A 42 6.846 3.710 -0.695 1.00 0.00 C ATOM 659 CG TYR A 42 7.437 3.071 -1.931 1.00 0.00 C ATOM 660 CD1 TYR A 42 8.802 3.126 -2.181 1.00 0.00 C ATOM 661 CD2 TYR A 42 6.629 2.413 -2.850 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.346 2.544 -3.309 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.165 1.827 -3.981 1.00 0.00 C ATOM 664 CZ TYR A 42 8.524 1.895 -4.206 1.00 0.00 C ATOM 665 OH TYR A 42 9.061 1.314 -5.332 1.00 0.00 O ATOM 0 H TYR A 42 6.173 5.751 -2.705 1.00 0.00 H new ATOM 0 HA TYR A 42 6.471 5.626 0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.438 3.419 0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.840 3.320 -0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.450 3.633 -1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.564 2.359 -2.678 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.410 2.597 -3.488 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.523 1.318 -4.685 1.00 0.00 H new ATOM 0 HH TYR A 42 8.346 0.898 -5.858 1.00 0.00 H new ATOM 675 N SER A 43 8.903 6.171 -0.050 1.00 0.00 N ATOM 676 CA SER A 43 10.240 6.728 -0.223 1.00 0.00 C ATOM 677 C SER A 43 11.207 6.148 0.805 1.00 0.00 C ATOM 678 O SER A 43 10.792 5.655 1.854 1.00 0.00 O ATOM 679 CB SER A 43 10.200 8.252 -0.100 1.00 0.00 C ATOM 680 OG SER A 43 9.604 8.650 1.122 1.00 0.00 O ATOM 0 H SER A 43 8.600 6.096 0.921 1.00 0.00 H new ATOM 0 HA SER A 43 10.593 6.460 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.212 8.651 -0.161 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.640 8.673 -0.935 1.00 0.00 H new ATOM 0 HG SER A 43 10.303 8.911 1.757 1.00 0.00 H new ATOM 686 N ARG A 44 12.498 6.212 0.496 1.00 0.00 N ATOM 687 CA ARG A 44 13.524 5.693 1.391 1.00 0.00 C ATOM 688 C ARG A 44 13.208 6.043 2.842 1.00 0.00 C ATOM 689 O ARG A 44 13.460 5.252 3.753 1.00 0.00 O ATOM 690 CB ARG A 44 14.896 6.252 1.008 1.00 0.00 C ATOM 691 CG ARG A 44 14.864 7.715 0.599 1.00 0.00 C ATOM 692 CD ARG A 44 16.233 8.363 0.739 1.00 0.00 C ATOM 693 NE ARG A 44 16.917 7.939 1.957 1.00 0.00 N ATOM 694 CZ ARG A 44 18.238 7.944 2.098 1.00 0.00 C ATOM 695 NH1 ARG A 44 19.012 8.349 1.101 1.00 0.00 N ATOM 696 NH2 ARG A 44 18.786 7.543 3.238 1.00 0.00 N ATOM 0 H ARG A 44 12.858 6.618 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 44 13.541 4.608 1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.576 6.134 1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.303 5.662 0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.525 7.798 -0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.142 8.251 1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.844 8.109 -0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.122 9.447 0.744 1.00 0.00 H new ATOM 0 HE ARG A 44 16.350 7.621 2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 44 18.594 8.658 0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 44 20.026 8.352 1.211 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.193 7.231 4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.800 7.547 3.345 1.00 0.00 H new ATOM 710 N THR A 45 12.654 7.233 3.051 1.00 0.00 N ATOM 711 CA THR A 45 12.305 7.689 4.391 1.00 0.00 C ATOM 712 C THR A 45 11.230 8.769 4.341 1.00 0.00 C ATOM 713 O THR A 45 10.943 9.324 3.281 1.00 0.00 O ATOM 714 CB THR A 45 13.536 8.240 5.136 1.00 0.00 C ATOM 715 OG1 THR A 45 13.850 9.553 4.659 1.00 0.00 O ATOM 716 CG2 THR A 45 14.737 7.325 4.947 1.00 0.00 C ATOM 0 H THR A 45 12.437 7.899 2.309 1.00 0.00 H new ATOM 0 HA THR A 45 11.922 6.823 4.930 1.00 0.00 H new ATOM 0 HB THR A 45 13.299 8.287 6.199 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.632 9.897 5.139 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.594 7.734 5.482 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.505 6.334 5.338 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.974 7.250 3.886 1.00 0.00 H new ATOM 724 N ALA A 46 10.639 9.062 5.495 1.00 0.00 N ATOM 725 CA ALA A 46 9.597 10.077 5.583 1.00 0.00 C ATOM 726 C ALA A 46 10.162 11.468 5.314 1.00 0.00 C ATOM 727 O ALA A 46 9.480 12.327 4.756 1.00 0.00 O ATOM 728 CB ALA A 46 8.929 10.032 6.949 1.00 0.00 C ATOM 0 H ALA A 46 10.864 8.611 6.382 1.00 0.00 H new ATOM 0 HA ALA A 46 8.850 9.862 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.153 10.796 7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.482 9.050 7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.673 10.218 7.724 1.00 0.00 H new ATOM 734 N GLN A 47 11.411 11.682 5.715 1.00 0.00 N ATOM 735 CA GLN A 47 12.066 12.970 5.518 1.00 0.00 C ATOM 736 C GLN A 47 12.024 13.383 4.051 1.00 0.00 C ATOM 737 O GLN A 47 11.827 14.556 3.732 1.00 0.00 O ATOM 738 CB GLN A 47 13.516 12.907 6.001 1.00 0.00 C ATOM 739 CG GLN A 47 13.654 12.921 7.515 1.00 0.00 C ATOM 740 CD GLN A 47 13.449 14.302 8.107 1.00 0.00 C ATOM 741 OE1 GLN A 47 14.384 15.099 8.191 1.00 0.00 O ATOM 742 NE2 GLN A 47 12.221 14.592 8.520 1.00 0.00 N ATOM 0 H GLN A 47 11.989 10.981 6.178 1.00 0.00 H new ATOM 0 HA GLN A 47 11.528 13.716 6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.981 12.002 5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.065 13.752 5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.929 12.233 7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.644 12.556 7.789 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.476 13.901 8.431 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.022 15.506 8.926 1.00 0.00 H new ATOM 751 N ASP A 48 12.210 12.413 3.163 1.00 0.00 N ATOM 752 CA ASP A 48 12.193 12.676 1.728 1.00 0.00 C ATOM 753 C ASP A 48 10.763 12.842 1.224 1.00 0.00 C ATOM 754 O ASP A 48 10.224 11.960 0.555 1.00 0.00 O ATOM 755 CB ASP A 48 12.886 11.542 0.972 1.00 0.00 C ATOM 756 CG ASP A 48 14.390 11.719 0.913 1.00 0.00 C ATOM 757 OD1 ASP A 48 14.949 12.352 1.834 1.00 0.00 O ATOM 758 OD2 ASP A 48 15.008 11.225 -0.052 1.00 0.00 O ATOM 0 H ASP A 48 12.374 11.437 3.411 1.00 0.00 H new ATOM 0 HA ASP A 48 12.733 13.605 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.654 10.593 1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.489 11.490 -0.042 1.00 0.00 H new ATOM 763 N ALA A 49 10.153 13.977 1.549 1.00 0.00 N ATOM 764 CA ALA A 49 8.787 14.259 1.128 1.00 0.00 C ATOM 765 C ALA A 49 8.526 13.731 -0.279 1.00 0.00 C ATOM 766 O ALA A 49 7.440 13.234 -0.574 1.00 0.00 O ATOM 767 CB ALA A 49 8.512 15.754 1.192 1.00 0.00 C ATOM 0 H ALA A 49 10.584 14.717 2.103 1.00 0.00 H new ATOM 0 HA ALA A 49 8.110 13.747 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.488 15.949 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.648 16.106 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.203 16.280 0.533 1.00 0.00 H new ATOM 773 N ASN A 50 9.529 13.844 -1.144 1.00 0.00 N ATOM 774 CA ASN A 50 9.407 13.379 -2.521 1.00 0.00 C ATOM 775 C ASN A 50 9.346 11.855 -2.577 1.00 0.00 C ATOM 776 O ASN A 50 10.319 11.159 -2.285 1.00 0.00 O ATOM 777 CB ASN A 50 10.584 13.885 -3.358 1.00 0.00 C ATOM 778 CG ASN A 50 11.030 15.275 -2.947 1.00 0.00 C ATOM 779 OD1 ASN A 50 12.201 15.498 -2.641 1.00 0.00 O ATOM 780 ND2 ASN A 50 10.095 16.218 -2.938 1.00 0.00 N ATOM 0 H ASN A 50 10.435 14.253 -0.916 1.00 0.00 H new ATOM 0 HA ASN A 50 8.480 13.777 -2.932 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.421 13.194 -3.259 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.301 13.894 -4.411 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.336 17.172 -2.670 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.136 15.988 -3.199 1.00 0.00 H new ATOM 787 N PRO A 51 8.177 11.324 -2.962 1.00 0.00 N ATOM 788 CA PRO A 51 7.961 9.877 -3.067 1.00 0.00 C ATOM 789 C PRO A 51 8.735 9.259 -4.226 1.00 0.00 C ATOM 790 O PRO A 51 8.541 9.630 -5.384 1.00 0.00 O ATOM 791 CB PRO A 51 6.454 9.760 -3.308 1.00 0.00 C ATOM 792 CG PRO A 51 6.068 11.058 -3.929 1.00 0.00 C ATOM 793 CD PRO A 51 6.975 12.093 -3.324 1.00 0.00 C ATOM 0 HA PRO A 51 8.307 9.347 -2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.222 8.922 -3.965 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.916 9.592 -2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.185 11.022 -5.012 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.022 11.291 -3.729 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.205 12.889 -4.032 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.522 12.564 -2.452 1.00 0.00 H new ATOM 801 N LEU A 52 9.612 8.313 -3.907 1.00 0.00 N ATOM 802 CA LEU A 52 10.416 7.641 -4.922 1.00 0.00 C ATOM 803 C LEU A 52 9.538 7.121 -6.056 1.00 0.00 C ATOM 804 O LEU A 52 9.746 7.461 -7.221 1.00 0.00 O ATOM 805 CB LEU A 52 11.200 6.486 -4.298 1.00 0.00 C ATOM 806 CG LEU A 52 12.251 6.873 -3.257 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.817 5.632 -2.583 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.364 7.687 -3.900 1.00 0.00 C ATOM 0 H LEU A 52 9.784 7.994 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 52 11.117 8.367 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.491 5.802 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.695 5.936 -5.098 1.00 0.00 H new ATOM 0 HG LEU A 52 11.771 7.488 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.563 5.927 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.013 5.088 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.281 4.991 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.103 7.954 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.841 7.097 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.946 8.595 -4.335 1.00 0.00 H new ATOM 820 N ASP A 53 8.556 6.298 -5.706 1.00 0.00 N ATOM 821 CA ASP A 53 7.643 5.734 -6.694 1.00 0.00 C ATOM 822 C ASP A 53 6.249 5.550 -6.103 1.00 0.00 C ATOM 823 O ASP A 53 6.058 5.656 -4.892 1.00 0.00 O ATOM 824 CB ASP A 53 8.175 4.394 -7.204 1.00 0.00 C ATOM 825 CG ASP A 53 9.072 4.551 -8.416 1.00 0.00 C ATOM 826 OD1 ASP A 53 8.634 5.183 -9.400 1.00 0.00 O ATOM 827 OD2 ASP A 53 10.212 4.041 -8.382 1.00 0.00 O ATOM 0 H ASP A 53 8.372 6.006 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 53 7.575 6.431 -7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.730 3.899 -6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.336 3.746 -7.458 1.00 0.00 H new ATOM 832 N SER A 54 5.277 5.275 -6.967 1.00 0.00 N ATOM 833 CA SER A 54 3.899 5.081 -6.531 1.00 0.00 C ATOM 834 C SER A 54 3.309 3.814 -7.143 1.00 0.00 C ATOM 835 O SER A 54 3.779 3.332 -8.174 1.00 0.00 O ATOM 836 CB SER A 54 3.045 6.291 -6.915 1.00 0.00 C ATOM 837 OG SER A 54 2.861 6.360 -8.318 1.00 0.00 O ATOM 0 H SER A 54 5.418 5.182 -7.973 1.00 0.00 H new ATOM 0 HA SER A 54 3.899 4.974 -5.446 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.076 6.228 -6.421 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.524 7.205 -6.562 1.00 0.00 H new ATOM 0 HG SER A 54 1.944 6.646 -8.514 1.00 0.00 H new ATOM 843 N ILE A 55 2.277 3.279 -6.500 1.00 0.00 N ATOM 844 CA ILE A 55 1.621 2.069 -6.980 1.00 0.00 C ATOM 845 C ILE A 55 0.105 2.233 -6.994 1.00 0.00 C ATOM 846 O ILE A 55 -0.517 2.435 -5.952 1.00 0.00 O ATOM 847 CB ILE A 55 1.986 0.849 -6.113 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.506 0.710 -6.004 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.373 -0.416 -6.694 1.00 0.00 C ATOM 850 CD1 ILE A 55 4.117 1.582 -4.929 1.00 0.00 C ATOM 0 H ILE A 55 1.877 3.665 -5.645 1.00 0.00 H new ATOM 0 HA ILE A 55 1.975 1.901 -7.997 1.00 0.00 H new ATOM 0 HB ILE A 55 1.581 0.999 -5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.754 -0.332 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.956 0.962 -6.964 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.640 -1.269 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.288 -0.314 -6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.751 -0.573 -7.704 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.196 1.432 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.900 2.629 -5.143 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.695 1.315 -3.960 1.00 0.00 H new ATOM 862 N ASP A 56 -0.482 2.144 -8.182 1.00 0.00 N ATOM 863 CA ASP A 56 -1.927 2.280 -8.333 1.00 0.00 C ATOM 864 C ASP A 56 -2.657 1.156 -7.604 1.00 0.00 C ATOM 865 O ASP A 56 -2.646 0.006 -8.044 1.00 0.00 O ATOM 866 CB ASP A 56 -2.309 2.277 -9.814 1.00 0.00 C ATOM 867 CG ASP A 56 -3.806 2.387 -10.025 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.518 1.397 -9.757 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.266 3.464 -10.458 1.00 0.00 O ATOM 0 H ASP A 56 0.020 1.978 -9.055 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.226 3.230 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.812 3.107 -10.316 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.946 1.360 -10.278 1.00 0.00 H new ATOM 874 N LEU A 57 -3.290 1.497 -6.487 1.00 0.00 N ATOM 875 CA LEU A 57 -4.026 0.516 -5.695 1.00 0.00 C ATOM 876 C LEU A 57 -5.358 0.174 -6.353 1.00 0.00 C ATOM 877 O LEU A 57 -5.843 -0.953 -6.249 1.00 0.00 O ATOM 878 CB LEU A 57 -4.264 1.048 -4.281 1.00 0.00 C ATOM 879 CG LEU A 57 -3.014 1.274 -3.429 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.394 1.791 -2.051 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.207 -0.011 -3.316 1.00 0.00 C ATOM 0 H LEU A 57 -3.309 2.444 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.426 -0.392 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.804 1.992 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.915 0.349 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.395 2.026 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.492 1.946 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.929 2.735 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.034 1.063 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.321 0.168 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.818 -0.784 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.903 -0.338 -4.310 1.00 0.00 H new ATOM 893 N SER A 58 -5.946 1.154 -7.033 1.00 0.00 N ATOM 894 CA SER A 58 -7.223 0.958 -7.708 1.00 0.00 C ATOM 895 C SER A 58 -7.299 -0.431 -8.335 1.00 0.00 C ATOM 896 O SER A 58 -8.271 -1.161 -8.139 1.00 0.00 O ATOM 897 CB SER A 58 -7.426 2.027 -8.783 1.00 0.00 C ATOM 898 OG SER A 58 -7.344 3.329 -8.229 1.00 0.00 O ATOM 0 H SER A 58 -5.557 2.092 -7.131 1.00 0.00 H new ATOM 0 HA SER A 58 -8.015 1.046 -6.965 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.672 1.912 -9.562 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.398 1.891 -9.257 1.00 0.00 H new ATOM 0 HG SER A 58 -7.475 3.994 -8.936 1.00 0.00 H new ATOM 904 N SER A 59 -6.265 -0.790 -9.089 1.00 0.00 N ATOM 905 CA SER A 59 -6.215 -2.089 -9.749 1.00 0.00 C ATOM 906 C SER A 59 -5.092 -2.947 -9.174 1.00 0.00 C ATOM 907 O SER A 59 -4.359 -3.606 -9.911 1.00 0.00 O ATOM 908 CB SER A 59 -6.015 -1.912 -11.256 1.00 0.00 C ATOM 909 OG SER A 59 -7.210 -1.478 -11.881 1.00 0.00 O ATOM 0 H SER A 59 -5.451 -0.199 -9.258 1.00 0.00 H new ATOM 0 HA SER A 59 -7.164 -2.595 -9.572 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.222 -1.187 -11.438 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.692 -2.855 -11.697 1.00 0.00 H new ATOM 0 HG SER A 59 -7.056 -1.371 -12.843 1.00 0.00 H new ATOM 915 N ALA A 60 -4.965 -2.934 -7.851 1.00 0.00 N ATOM 916 CA ALA A 60 -3.935 -3.712 -7.175 1.00 0.00 C ATOM 917 C ALA A 60 -4.551 -4.717 -6.207 1.00 0.00 C ATOM 918 O ALA A 60 -5.341 -4.351 -5.336 1.00 0.00 O ATOM 919 CB ALA A 60 -2.974 -2.790 -6.440 1.00 0.00 C ATOM 0 H ALA A 60 -5.563 -2.393 -7.226 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.381 -4.268 -7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.210 -3.385 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.500 -2.116 -7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.523 -2.208 -5.700 1.00 0.00 H new ATOM 925 N VAL A 61 -4.186 -5.985 -6.364 1.00 0.00 N ATOM 926 CA VAL A 61 -4.703 -7.042 -5.504 1.00 0.00 C ATOM 927 C VAL A 61 -3.675 -7.448 -4.453 1.00 0.00 C ATOM 928 O VAL A 61 -2.581 -7.904 -4.784 1.00 0.00 O ATOM 929 CB VAL A 61 -5.103 -8.285 -6.321 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.175 -8.463 -7.512 1.00 0.00 C ATOM 931 CG2 VAL A 61 -5.098 -9.525 -5.440 1.00 0.00 C ATOM 0 H VAL A 61 -3.534 -6.305 -7.080 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.587 -6.642 -5.008 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.115 -8.140 -6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.473 -9.346 -8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.234 -7.584 -8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.151 -8.586 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.383 -10.394 -6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.099 -9.677 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.808 -9.394 -4.624 1.00 0.00 H new ATOM 941 N PHE A 62 -4.035 -7.278 -3.185 1.00 0.00 N ATOM 942 CA PHE A 62 -3.144 -7.626 -2.085 1.00 0.00 C ATOM 943 C PHE A 62 -3.336 -9.081 -1.668 1.00 0.00 C ATOM 944 O PHE A 62 -4.449 -9.508 -1.361 1.00 0.00 O ATOM 945 CB PHE A 62 -3.392 -6.705 -0.889 1.00 0.00 C ATOM 946 CG PHE A 62 -3.889 -5.341 -1.275 1.00 0.00 C ATOM 947 CD1 PHE A 62 -3.017 -4.387 -1.775 1.00 0.00 C ATOM 948 CD2 PHE A 62 -5.228 -5.013 -1.139 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.471 -3.132 -2.132 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.688 -3.759 -1.495 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.808 -2.817 -1.991 1.00 0.00 C ATOM 0 H PHE A 62 -4.937 -6.901 -2.894 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.117 -7.497 -2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.119 -7.173 -0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.466 -6.599 -0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.970 -4.627 -1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.920 -5.745 -0.750 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.781 -2.398 -2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.735 -3.516 -1.385 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.165 -1.836 -2.268 1.00 0.00 H new ATOM 961 N ASP A 63 -2.244 -9.838 -1.662 1.00 0.00 N ATOM 962 CA ASP A 63 -2.291 -11.245 -1.283 1.00 0.00 C ATOM 963 C ASP A 63 -1.292 -11.542 -0.169 1.00 0.00 C ATOM 964 O ASP A 63 -0.498 -10.680 0.212 1.00 0.00 O ATOM 965 CB ASP A 63 -2.000 -12.131 -2.495 1.00 0.00 C ATOM 966 CG ASP A 63 -2.487 -13.554 -2.302 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.719 -13.762 -2.284 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.638 -14.460 -2.169 1.00 0.00 O ATOM 0 H ASP A 63 -1.315 -9.500 -1.915 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.293 -11.463 -0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.477 -11.703 -3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.927 -12.140 -2.686 1.00 0.00 H new ATOM 973 N CYS A 64 -1.337 -12.764 0.349 1.00 0.00 N ATOM 974 CA CYS A 64 -0.436 -13.174 1.421 1.00 0.00 C ATOM 975 C CYS A 64 0.436 -14.345 0.980 1.00 0.00 C ATOM 976 O CYS A 64 -0.053 -15.314 0.399 1.00 0.00 O ATOM 977 CB CYS A 64 -1.235 -13.558 2.667 1.00 0.00 C ATOM 978 SG CYS A 64 -2.402 -14.914 2.406 1.00 0.00 S ATOM 0 H CYS A 64 -1.987 -13.488 0.045 1.00 0.00 H new ATOM 0 HA CYS A 64 0.213 -12.331 1.660 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.540 -13.838 3.459 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.783 -12.684 3.018 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.994 -15.653 1.418 1.00 0.00 H new ATOM 984 N LYS A 65 1.732 -14.248 1.259 1.00 0.00 N ATOM 985 CA LYS A 65 2.674 -15.298 0.891 1.00 0.00 C ATOM 986 C LYS A 65 2.451 -16.549 1.735 1.00 0.00 C ATOM 987 O LYS A 65 1.620 -16.557 2.642 1.00 0.00 O ATOM 988 CB LYS A 65 4.113 -14.804 1.063 1.00 0.00 C ATOM 989 CG LYS A 65 4.685 -14.153 -0.184 1.00 0.00 C ATOM 990 CD LYS A 65 5.266 -15.185 -1.135 1.00 0.00 C ATOM 991 CE LYS A 65 6.670 -15.597 -0.721 1.00 0.00 C ATOM 992 NZ LYS A 65 7.308 -16.485 -1.732 1.00 0.00 N ATOM 0 H LYS A 65 2.153 -13.453 1.739 1.00 0.00 H new ATOM 0 HA LYS A 65 2.506 -15.552 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.147 -14.088 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.746 -15.645 1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.903 -13.588 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.460 -13.441 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.620 -16.063 -1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.288 -14.778 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.283 -14.707 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.629 -16.111 0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.264 -16.744 -1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.737 -17.346 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.370 -15.986 -2.642 1.00 0.00 H new ATOM 1006 N ALA A 66 3.200 -17.604 1.431 1.00 0.00 N ATOM 1007 CA ALA A 66 3.086 -18.859 2.164 1.00 0.00 C ATOM 1008 C ALA A 66 3.534 -18.691 3.612 1.00 0.00 C ATOM 1009 O ALA A 66 2.882 -19.182 4.534 1.00 0.00 O ATOM 1010 CB ALA A 66 3.903 -19.945 1.480 1.00 0.00 C ATOM 0 H ALA A 66 3.892 -17.614 0.682 1.00 0.00 H new ATOM 0 HA ALA A 66 2.037 -19.156 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.809 -20.877 2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.536 -20.091 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.951 -19.646 1.447 1.00 0.00 H new ATOM 1016 N ASP A 67 4.649 -17.996 3.805 1.00 0.00 N ATOM 1017 CA ASP A 67 5.183 -17.763 5.142 1.00 0.00 C ATOM 1018 C ASP A 67 4.507 -16.562 5.796 1.00 0.00 C ATOM 1019 O ASP A 67 5.136 -15.815 6.545 1.00 0.00 O ATOM 1020 CB ASP A 67 6.695 -17.541 5.079 1.00 0.00 C ATOM 1021 CG ASP A 67 7.056 -16.139 4.628 1.00 0.00 C ATOM 1022 OD1 ASP A 67 6.292 -15.559 3.828 1.00 0.00 O ATOM 1023 OD2 ASP A 67 8.102 -15.623 5.074 1.00 0.00 O ATOM 0 H ASP A 67 5.201 -17.584 3.053 1.00 0.00 H new ATOM 0 HA ASP A 67 4.978 -18.646 5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.128 -17.726 6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.137 -18.265 4.395 1.00 0.00 H new ATOM 1028 N ALA A 68 3.222 -16.383 5.507 1.00 0.00 N ATOM 1029 CA ALA A 68 2.461 -15.273 6.067 1.00 0.00 C ATOM 1030 C ALA A 68 2.570 -15.246 7.588 1.00 0.00 C ATOM 1031 O ALA A 68 2.582 -14.178 8.199 1.00 0.00 O ATOM 1032 CB ALA A 68 1.003 -15.366 5.642 1.00 0.00 C ATOM 0 H ALA A 68 2.687 -16.992 4.889 1.00 0.00 H new ATOM 0 HA ALA A 68 2.882 -14.344 5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.446 -14.531 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.938 -15.329 4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.579 -16.304 5.999 1.00 0.00 H new ATOM 1038 N GLU A 69 2.648 -16.427 8.193 1.00 0.00 N ATOM 1039 CA GLU A 69 2.754 -16.537 9.643 1.00 0.00 C ATOM 1040 C GLU A 69 3.637 -15.428 10.209 1.00 0.00 C ATOM 1041 O GLU A 69 3.393 -14.926 11.306 1.00 0.00 O ATOM 1042 CB GLU A 69 3.320 -17.904 10.033 1.00 0.00 C ATOM 1043 CG GLU A 69 4.577 -18.283 9.268 1.00 0.00 C ATOM 1044 CD GLU A 69 4.277 -19.083 8.015 1.00 0.00 C ATOM 1045 OE1 GLU A 69 3.156 -18.951 7.481 1.00 0.00 O ATOM 1046 OE2 GLU A 69 5.164 -19.841 7.569 1.00 0.00 O ATOM 0 H GLU A 69 2.640 -17.321 7.702 1.00 0.00 H new ATOM 0 HA GLU A 69 1.754 -16.433 10.064 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.540 -17.906 11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.558 -18.665 9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.119 -17.378 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.232 -18.864 9.917 1.00 0.00 H new ATOM 1053 N GLU A 70 4.664 -15.053 9.453 1.00 0.00 N ATOM 1054 CA GLU A 70 5.584 -14.005 9.880 1.00 0.00 C ATOM 1055 C GLU A 70 4.994 -12.623 9.617 1.00 0.00 C ATOM 1056 O GLU A 70 5.096 -11.724 10.450 1.00 0.00 O ATOM 1057 CB GLU A 70 6.924 -14.146 9.155 1.00 0.00 C ATOM 1058 CG GLU A 70 7.782 -12.893 9.214 1.00 0.00 C ATOM 1059 CD GLU A 70 9.262 -13.193 9.067 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.605 -14.148 8.340 1.00 0.00 O ATOM 1061 OE2 GLU A 70 10.076 -12.470 9.678 1.00 0.00 O ATOM 0 H GLU A 70 4.880 -15.459 8.542 1.00 0.00 H new ATOM 0 HA GLU A 70 5.746 -14.114 10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.478 -14.977 9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.738 -14.400 8.111 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.474 -12.208 8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.611 -12.384 10.162 1.00 0.00 H new ATOM 1068 N GLY A 71 4.376 -12.461 8.450 1.00 0.00 N ATOM 1069 CA GLY A 71 3.780 -11.186 8.097 1.00 0.00 C ATOM 1070 C GLY A 71 4.263 -10.671 6.756 1.00 0.00 C ATOM 1071 O GLY A 71 4.851 -9.592 6.674 1.00 0.00 O ATOM 0 H GLY A 71 4.278 -13.190 7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.695 -11.290 8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.013 -10.453 8.869 1.00 0.00 H new ATOM 1075 N ILE A 72 4.018 -11.444 5.704 1.00 0.00 N ATOM 1076 CA ILE A 72 4.434 -11.059 4.361 1.00 0.00 C ATOM 1077 C ILE A 72 3.255 -11.079 3.394 1.00 0.00 C ATOM 1078 O ILE A 72 2.372 -11.932 3.492 1.00 0.00 O ATOM 1079 CB ILE A 72 5.539 -11.990 3.825 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.598 -12.232 4.902 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.172 -11.396 2.576 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.177 -13.240 5.948 1.00 0.00 C ATOM 0 H ILE A 72 3.534 -12.340 5.755 1.00 0.00 H new ATOM 0 HA ILE A 72 4.827 -10.045 4.431 1.00 0.00 H new ATOM 0 HB ILE A 72 5.091 -12.948 3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.516 -12.576 4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.828 -11.286 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.951 -12.065 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.410 -11.270 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.610 -10.427 2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.976 -13.361 6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.276 -12.888 6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.975 -14.198 5.469 1.00 0.00 H new ATOM 1094 N PHE A 73 3.249 -10.135 2.459 1.00 0.00 N ATOM 1095 CA PHE A 73 2.179 -10.044 1.472 1.00 0.00 C ATOM 1096 C PHE A 73 2.738 -9.712 0.092 1.00 0.00 C ATOM 1097 O PHE A 73 3.946 -9.549 -0.076 1.00 0.00 O ATOM 1098 CB PHE A 73 1.159 -8.983 1.890 1.00 0.00 C ATOM 1099 CG PHE A 73 1.777 -7.651 2.209 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.394 -7.434 3.431 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.740 -6.617 1.288 1.00 0.00 C ATOM 1102 CE1 PHE A 73 2.962 -6.209 3.727 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.307 -5.391 1.578 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.920 -5.187 2.799 1.00 0.00 C ATOM 0 H PHE A 73 3.973 -9.422 2.364 1.00 0.00 H new ATOM 0 HA PHE A 73 1.684 -11.014 1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.431 -8.854 1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.613 -9.340 2.763 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.431 -8.230 4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.262 -6.771 0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.438 -6.051 4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.271 -4.593 0.851 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.366 -4.230 3.027 1.00 0.00 H new ATOM 1114 N GLU A 74 1.850 -9.613 -0.892 1.00 0.00 N ATOM 1115 CA GLU A 74 2.255 -9.302 -2.258 1.00 0.00 C ATOM 1116 C GLU A 74 1.168 -8.513 -2.982 1.00 0.00 C ATOM 1117 O GLU A 74 -0.013 -8.853 -2.909 1.00 0.00 O ATOM 1118 CB GLU A 74 2.565 -10.588 -3.027 1.00 0.00 C ATOM 1119 CG GLU A 74 4.018 -11.022 -2.928 1.00 0.00 C ATOM 1120 CD GLU A 74 4.194 -12.517 -3.111 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.209 -13.258 -2.914 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.316 -12.945 -3.452 1.00 0.00 O ATOM 0 H GLU A 74 0.846 -9.744 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 74 3.155 -8.689 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.929 -11.389 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.308 -10.444 -4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.603 -10.496 -3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.415 -10.729 -1.956 1.00 0.00 H new ATOM 1129 N ILE A 75 1.576 -7.458 -3.679 1.00 0.00 N ATOM 1130 CA ILE A 75 0.638 -6.620 -4.416 1.00 0.00 C ATOM 1131 C ILE A 75 0.719 -6.891 -5.914 1.00 0.00 C ATOM 1132 O ILE A 75 1.625 -6.409 -6.595 1.00 0.00 O ATOM 1133 CB ILE A 75 0.898 -5.124 -4.161 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.810 -4.816 -2.664 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.093 -4.273 -4.941 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.820 -3.337 -2.350 1.00 0.00 C ATOM 0 H ILE A 75 2.550 -7.163 -3.749 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.360 -6.873 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 75 1.904 -4.882 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.102 -5.258 -2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.646 -5.293 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.104 -3.218 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.014 -4.475 -6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.108 -4.515 -4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.755 -3.194 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.744 -2.893 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.032 -2.857 -2.832 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.234 -7.664 -6.423 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.273 -7.997 -7.842 1.00 0.00 C ATOM 1150 C LYS A 76 -0.904 -6.867 -8.649 1.00 0.00 C ATOM 1151 O LYS A 76 -2.089 -6.566 -8.496 1.00 0.00 O ATOM 1152 CB LYS A 76 -1.057 -9.293 -8.061 1.00 0.00 C ATOM 1153 CG LYS A 76 -0.192 -10.541 -8.021 1.00 0.00 C ATOM 1154 CD LYS A 76 0.132 -10.950 -6.594 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.943 -11.858 -6.017 1.00 0.00 C ATOM 1156 NZ LYS A 76 -2.285 -11.212 -6.037 1.00 0.00 N ATOM 0 H LYS A 76 -0.990 -8.072 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 76 0.752 -8.137 -8.185 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.831 -9.373 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.564 -9.243 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.707 -11.358 -8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.734 -10.361 -8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.094 -11.463 -6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.230 -10.060 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.978 -12.786 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.683 -12.123 -4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.955 -11.786 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.219 -10.262 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.619 -11.136 -7.019 1.00 0.00 H new ATOM 1170 N THR A 77 -0.106 -6.243 -9.510 1.00 0.00 N ATOM 1171 CA THR A 77 -0.586 -5.147 -10.341 1.00 0.00 C ATOM 1172 C THR A 77 -0.298 -5.407 -11.815 1.00 0.00 C ATOM 1173 O THR A 77 0.659 -6.094 -12.174 1.00 0.00 O ATOM 1174 CB THR A 77 0.057 -3.808 -9.932 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.422 -3.768 -10.364 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.009 -3.614 -8.425 1.00 0.00 C ATOM 0 H THR A 77 0.877 -6.479 -9.650 1.00 0.00 H new ATOM 0 HA THR A 77 -1.664 -5.085 -10.190 1.00 0.00 H new ATOM 0 HB THR A 77 -0.499 -3.002 -10.411 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.990 -4.202 -9.694 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.451 -2.662 -8.160 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.050 -3.616 -8.103 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.525 -4.425 -7.930 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.143 -4.845 -12.693 1.00 0.00 N ATOM 1185 CA PRO A 78 -0.998 -5.002 -14.143 1.00 0.00 C ATOM 1186 C PRO A 78 0.217 -4.258 -14.688 1.00 0.00 C ATOM 1187 O PRO A 78 0.470 -4.262 -15.892 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.289 -4.394 -14.696 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.729 -3.425 -13.654 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.305 -4.013 -12.336 1.00 0.00 C ATOM 0 HA PRO A 78 -0.845 -6.043 -14.427 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.115 -3.897 -15.650 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.045 -5.160 -14.869 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.271 -2.448 -13.811 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.809 -3.280 -13.687 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.039 -3.238 -11.617 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.101 -4.606 -11.886 1.00 0.00 H new ATOM 1198 N SER A 79 0.966 -3.622 -13.793 1.00 0.00 N ATOM 1199 CA SER A 79 2.153 -2.871 -14.185 1.00 0.00 C ATOM 1200 C SER A 79 3.418 -3.542 -13.659 1.00 0.00 C ATOM 1201 O SER A 79 4.382 -3.740 -14.399 1.00 0.00 O ATOM 1202 CB SER A 79 2.069 -1.435 -13.663 1.00 0.00 C ATOM 1203 OG SER A 79 1.557 -1.401 -12.342 1.00 0.00 O ATOM 0 H SER A 79 0.772 -3.612 -12.792 1.00 0.00 H new ATOM 0 HA SER A 79 2.198 -2.852 -15.274 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.059 -0.979 -13.685 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.431 -0.843 -14.319 1.00 0.00 H new ATOM 0 HG SER A 79 1.515 -0.473 -12.031 1.00 0.00 H new ATOM 1209 N ARG A 80 3.407 -3.890 -12.377 1.00 0.00 N ATOM 1210 CA ARG A 80 4.553 -4.538 -11.751 1.00 0.00 C ATOM 1211 C ARG A 80 4.169 -5.137 -10.401 1.00 0.00 C ATOM 1212 O ARG A 80 3.624 -4.449 -9.537 1.00 0.00 O ATOM 1213 CB ARG A 80 5.696 -3.537 -11.570 1.00 0.00 C ATOM 1214 CG ARG A 80 5.473 -2.557 -10.429 1.00 0.00 C ATOM 1215 CD ARG A 80 6.635 -1.586 -10.294 1.00 0.00 C ATOM 1216 NE ARG A 80 6.295 -0.440 -9.454 1.00 0.00 N ATOM 1217 CZ ARG A 80 7.196 0.286 -8.803 1.00 0.00 C ATOM 1218 NH1 ARG A 80 8.485 -0.012 -8.894 1.00 0.00 N ATOM 1219 NH2 ARG A 80 6.809 1.315 -8.059 1.00 0.00 N ATOM 0 H ARG A 80 2.617 -3.734 -11.751 1.00 0.00 H new ATOM 0 HA ARG A 80 4.885 -5.344 -12.406 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.622 -4.084 -11.392 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.829 -2.979 -12.497 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.551 -2.001 -10.600 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.346 -3.106 -9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.494 -2.105 -9.869 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.932 -1.236 -11.283 1.00 0.00 H new ATOM 0 HE ARG A 80 5.312 -0.184 -9.363 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.787 -0.801 -9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.175 0.548 -8.393 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.819 1.548 -7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.502 1.872 -7.559 1.00 0.00 H new ATOM 1233 N VAL A 81 4.457 -6.423 -10.226 1.00 0.00 N ATOM 1234 CA VAL A 81 4.142 -7.115 -8.982 1.00 0.00 C ATOM 1235 C VAL A 81 5.103 -6.710 -7.870 1.00 0.00 C ATOM 1236 O VAL A 81 6.312 -6.920 -7.974 1.00 0.00 O ATOM 1237 CB VAL A 81 4.196 -8.644 -9.161 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.913 -9.346 -7.842 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.214 -9.089 -10.234 1.00 0.00 C ATOM 0 H VAL A 81 4.908 -7.007 -10.930 1.00 0.00 H new ATOM 0 HA VAL A 81 3.128 -6.825 -8.706 1.00 0.00 H new ATOM 0 HB VAL A 81 5.200 -8.920 -9.483 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.955 -10.425 -7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.659 -9.050 -7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.921 -9.067 -7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.265 -10.172 -10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.203 -8.802 -9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.469 -8.612 -11.181 1.00 0.00 H new ATOM 1249 N ILE A 82 4.558 -6.129 -6.807 1.00 0.00 N ATOM 1250 CA ILE A 82 5.367 -5.696 -5.674 1.00 0.00 C ATOM 1251 C ILE A 82 5.293 -6.701 -4.530 1.00 0.00 C ATOM 1252 O ILE A 82 4.268 -7.352 -4.325 1.00 0.00 O ATOM 1253 CB ILE A 82 4.921 -4.314 -5.159 1.00 0.00 C ATOM 1254 CG1 ILE A 82 4.971 -3.284 -6.289 1.00 0.00 C ATOM 1255 CG2 ILE A 82 5.796 -3.875 -3.995 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.345 -3.124 -6.900 1.00 0.00 C ATOM 0 H ILE A 82 3.559 -5.947 -6.706 1.00 0.00 H new ATOM 0 HA ILE A 82 6.396 -5.628 -6.028 1.00 0.00 H new ATOM 0 HB ILE A 82 3.892 -4.388 -4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.268 -3.577 -7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.638 -2.319 -5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.469 -2.897 -3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.714 -4.599 -3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.834 -3.814 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.306 -2.378 -7.694 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.049 -2.801 -6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.672 -4.078 -7.314 1.00 0.00 H new ATOM 1268 N THR A 83 6.387 -6.821 -3.784 1.00 0.00 N ATOM 1269 CA THR A 83 6.447 -7.746 -2.659 1.00 0.00 C ATOM 1270 C THR A 83 6.913 -7.040 -1.391 1.00 0.00 C ATOM 1271 O THR A 83 8.109 -6.815 -1.198 1.00 0.00 O ATOM 1272 CB THR A 83 7.391 -8.927 -2.953 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.033 -9.544 -4.194 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.335 -9.956 -1.834 1.00 0.00 C ATOM 0 H THR A 83 7.243 -6.289 -3.939 1.00 0.00 H new ATOM 0 HA THR A 83 5.437 -8.127 -2.508 1.00 0.00 H new ATOM 0 HB THR A 83 8.408 -8.542 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.639 -10.293 -4.374 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.010 -10.781 -2.064 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.637 -9.490 -0.896 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.318 -10.335 -1.739 1.00 0.00 H new ATOM 1282 N LEU A 84 5.964 -6.693 -0.530 1.00 0.00 N ATOM 1283 CA LEU A 84 6.278 -6.013 0.722 1.00 0.00 C ATOM 1284 C LEU A 84 5.878 -6.867 1.921 1.00 0.00 C ATOM 1285 O LEU A 84 4.988 -7.712 1.826 1.00 0.00 O ATOM 1286 CB LEU A 84 5.564 -4.661 0.783 1.00 0.00 C ATOM 1287 CG LEU A 84 5.642 -3.803 -0.480 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.780 -2.559 -0.334 1.00 0.00 C ATOM 1289 CD2 LEU A 84 7.086 -3.422 -0.777 1.00 0.00 C ATOM 0 H LEU A 84 4.970 -6.871 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 84 7.355 -5.851 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.513 -4.838 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.981 -4.090 1.612 1.00 0.00 H new ATOM 0 HG LEU A 84 5.261 -4.387 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.848 -1.961 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.743 -2.852 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.130 -1.971 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.123 -2.811 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.493 -2.856 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.677 -4.325 -0.926 1.00 0.00 H new ATOM 1301 N LYS A 85 6.540 -6.639 3.050 1.00 0.00 N ATOM 1302 CA LYS A 85 6.253 -7.384 4.270 1.00 0.00 C ATOM 1303 C LYS A 85 6.005 -6.437 5.440 1.00 0.00 C ATOM 1304 O LYS A 85 6.497 -5.309 5.453 1.00 0.00 O ATOM 1305 CB LYS A 85 7.411 -8.328 4.600 1.00 0.00 C ATOM 1306 CG LYS A 85 8.680 -7.608 5.026 1.00 0.00 C ATOM 1307 CD LYS A 85 9.859 -8.562 5.114 1.00 0.00 C ATOM 1308 CE LYS A 85 9.848 -9.345 6.418 1.00 0.00 C ATOM 1309 NZ LYS A 85 11.026 -10.247 6.534 1.00 0.00 N ATOM 0 H LYS A 85 7.280 -5.943 3.146 1.00 0.00 H new ATOM 0 HA LYS A 85 5.350 -7.971 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.102 -9.004 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.628 -8.943 3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.905 -6.814 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.522 -7.133 5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.831 -9.254 4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.790 -8.000 5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.838 -8.651 7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.933 -9.934 6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.981 -10.762 7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.022 -10.926 5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.899 -9.683 6.500 1.00 0.00 H new ATOM 1323 N ALA A 86 5.241 -6.904 6.422 1.00 0.00 N ATOM 1324 CA ALA A 86 4.931 -6.100 7.597 1.00 0.00 C ATOM 1325 C ALA A 86 5.589 -6.678 8.846 1.00 0.00 C ATOM 1326 O ALA A 86 6.239 -7.721 8.791 1.00 0.00 O ATOM 1327 CB ALA A 86 3.425 -6.003 7.789 1.00 0.00 C ATOM 0 H ALA A 86 4.825 -7.835 6.427 1.00 0.00 H new ATOM 0 HA ALA A 86 5.331 -5.099 7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.209 -5.399 8.671 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.976 -5.538 6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.010 -7.002 7.923 1.00 0.00 H new ATOM 1333 N ALA A 87 5.416 -5.992 9.971 1.00 0.00 N ATOM 1334 CA ALA A 87 5.992 -6.438 11.234 1.00 0.00 C ATOM 1335 C ALA A 87 5.609 -7.884 11.532 1.00 0.00 C ATOM 1336 O ALA A 87 6.435 -8.791 11.426 1.00 0.00 O ATOM 1337 CB ALA A 87 5.546 -5.528 12.368 1.00 0.00 C ATOM 0 H ALA A 87 4.882 -5.125 10.034 1.00 0.00 H new ATOM 0 HA ALA A 87 7.077 -6.387 11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.984 -5.873 13.305 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.875 -4.508 12.167 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.459 -5.549 12.446 1.00 0.00 H new ATOM 1343 N THR A 88 4.350 -8.093 11.906 1.00 0.00 N ATOM 1344 CA THR A 88 3.858 -9.428 12.221 1.00 0.00 C ATOM 1345 C THR A 88 2.628 -9.771 11.389 1.00 0.00 C ATOM 1346 O THR A 88 2.114 -8.934 10.646 1.00 0.00 O ATOM 1347 CB THR A 88 3.506 -9.559 13.715 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.473 -8.629 14.059 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.730 -9.309 14.583 1.00 0.00 C ATOM 0 H THR A 88 3.653 -7.354 11.998 1.00 0.00 H new ATOM 0 HA THR A 88 4.661 -10.125 11.982 1.00 0.00 H new ATOM 0 HB THR A 88 3.154 -10.575 13.895 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.254 -8.720 15.010 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.457 -9.407 15.634 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.504 -10.037 14.340 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.108 -8.303 14.398 1.00 0.00 H new ATOM 1357 N LYS A 89 2.157 -11.007 11.519 1.00 0.00 N ATOM 1358 CA LYS A 89 0.985 -11.461 10.781 1.00 0.00 C ATOM 1359 C LYS A 89 -0.171 -10.478 10.937 1.00 0.00 C ATOM 1360 O LYS A 89 -0.942 -10.261 10.003 1.00 0.00 O ATOM 1361 CB LYS A 89 0.558 -12.848 11.265 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.762 -13.319 10.677 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.560 -14.014 9.341 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.880 -14.497 8.759 1.00 0.00 C ATOM 1365 NZ LYS A 89 -2.406 -15.684 9.488 1.00 0.00 N ATOM 0 H LYS A 89 2.570 -11.712 12.129 1.00 0.00 H new ATOM 0 HA LYS A 89 1.251 -11.517 9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.336 -13.568 11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.478 -12.835 12.352 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.249 -14.002 11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.429 -12.466 10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.082 -13.328 8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.114 -14.861 9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.612 -13.691 8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.743 -14.748 7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.289 -16.003 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.704 -16.451 9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.593 -15.428 10.479 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.283 -9.887 12.122 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.345 -8.927 12.399 1.00 0.00 C ATOM 1381 C GLN A 90 -1.089 -7.608 11.675 1.00 0.00 C ATOM 1382 O GLN A 90 -2.020 -6.954 11.208 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.461 -8.682 13.904 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.426 -9.626 14.602 1.00 0.00 C ATOM 1385 CD GLN A 90 -1.748 -10.882 15.113 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -1.100 -10.869 16.160 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -1.894 -11.976 14.374 1.00 0.00 N ATOM 0 H GLN A 90 0.348 -10.056 12.905 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.283 -9.345 12.033 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.475 -8.784 14.357 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.785 -7.655 14.072 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.896 -9.106 15.437 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.221 -9.903 13.910 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.440 -11.941 13.513 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.460 -12.851 14.667 1.00 0.00 H new ATOM 1396 N ALA A 91 0.180 -7.224 11.588 1.00 0.00 N ATOM 1397 CA ALA A 91 0.559 -5.985 10.920 1.00 0.00 C ATOM 1398 C ALA A 91 0.005 -5.935 9.500 1.00 0.00 C ATOM 1399 O ALA A 91 -0.800 -5.065 9.169 1.00 0.00 O ATOM 1400 CB ALA A 91 2.073 -5.836 10.903 1.00 0.00 C ATOM 0 H ALA A 91 0.963 -7.753 11.972 1.00 0.00 H new ATOM 0 HA ALA A 91 0.129 -5.154 11.479 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.342 -4.906 10.401 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.448 -5.817 11.926 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.515 -6.677 10.369 1.00 0.00 H new ATOM 1406 N MET A 92 0.442 -6.872 8.666 1.00 0.00 N ATOM 1407 CA MET A 92 -0.012 -6.934 7.281 1.00 0.00 C ATOM 1408 C MET A 92 -1.535 -6.966 7.209 1.00 0.00 C ATOM 1409 O MET A 92 -2.144 -6.252 6.412 1.00 0.00 O ATOM 1410 CB MET A 92 0.569 -8.167 6.587 1.00 0.00 C ATOM 1411 CG MET A 92 0.214 -9.476 7.274 1.00 0.00 C ATOM 1412 SD MET A 92 0.782 -10.920 6.355 1.00 0.00 S ATOM 1413 CE MET A 92 -0.692 -11.937 6.380 1.00 0.00 C ATOM 0 H MET A 92 1.110 -7.599 8.924 1.00 0.00 H new ATOM 0 HA MET A 92 0.339 -6.038 6.769 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.210 -8.197 5.558 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.654 -8.072 6.544 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.654 -9.489 8.271 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.867 -9.533 7.401 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.419 -12.967 6.609 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.377 -11.565 7.142 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.178 -11.898 5.405 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.145 -7.797 8.047 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.599 -7.922 8.078 1.00 0.00 C ATOM 1425 C LEU A 93 -4.263 -6.549 8.084 1.00 0.00 C ATOM 1426 O LEU A 93 -5.311 -6.353 7.469 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.036 -8.719 9.308 1.00 0.00 C ATOM 1428 CG LEU A 93 -3.893 -10.238 9.210 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.096 -10.882 10.573 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -4.881 -10.802 8.199 1.00 0.00 C ATOM 0 H LEU A 93 -1.656 -8.394 8.714 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.913 -8.453 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.456 -8.374 10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.080 -8.485 9.515 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.884 -10.468 8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.991 -11.963 10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.350 -10.501 11.270 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.093 -10.644 10.943 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.765 -11.884 8.142 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.897 -10.562 8.511 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.689 -10.365 7.219 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.645 -5.602 8.781 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.177 -4.247 8.868 1.00 0.00 C ATOM 1444 C TYR A 94 -4.022 -3.515 7.539 1.00 0.00 C ATOM 1445 O TYR A 94 -4.910 -2.774 7.118 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.467 -3.469 9.977 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.685 -1.974 9.903 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -4.956 -1.430 10.044 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.621 -1.107 9.693 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.160 -0.065 9.976 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.815 0.259 9.625 1.00 0.00 C ATOM 1452 CZ TYR A 94 -4.086 0.775 9.767 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.285 2.135 9.700 1.00 0.00 O ATOM 0 H TYR A 94 -2.775 -5.748 9.294 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.239 -4.315 9.103 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.816 -3.831 10.944 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.398 -3.675 9.926 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.799 -2.085 10.210 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.624 -1.508 9.581 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.154 0.342 10.086 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.976 0.919 9.462 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.427 2.584 9.550 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.888 -3.730 6.881 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.615 -3.091 5.599 1.00 0.00 C ATOM 1465 C TRP A 95 -3.509 -3.665 4.505 1.00 0.00 C ATOM 1466 O TRP A 95 -4.201 -2.925 3.803 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.145 -3.271 5.219 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.265 -2.160 5.707 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.435 -2.124 6.879 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.005 -0.923 5.038 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.125 -0.940 6.978 1.00 0.00 N ATOM 1472 CE2 TRP A 95 0.879 -0.186 5.861 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.403 -0.368 3.822 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.348 1.076 5.507 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.063 0.885 3.472 1.00 0.00 C ATOM 1476 CH2 TRP A 95 0.931 1.595 4.311 1.00 0.00 C ATOM 0 H TRP A 95 -2.143 -4.342 7.214 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.830 -2.027 5.698 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.785 -4.216 5.626 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.063 -3.340 4.134 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.445 -2.910 7.619 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.724 -0.667 7.757 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.071 -0.909 3.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.017 1.626 6.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.247 1.324 2.535 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.278 2.572 4.008 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.491 -4.985 4.364 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.302 -5.658 3.354 1.00 0.00 C ATOM 1489 C LEU A 96 -5.764 -5.239 3.462 1.00 0.00 C ATOM 1490 O LEU A 96 -6.405 -4.927 2.459 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.181 -7.176 3.504 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.759 -7.733 3.571 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.785 -9.244 3.743 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -1.977 -7.350 2.323 1.00 0.00 C ATOM 0 H LEU A 96 -2.924 -5.611 4.936 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.932 -5.366 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.710 -7.475 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.695 -7.646 2.665 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.259 -7.298 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.764 -9.623 3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.307 -9.496 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.303 -9.698 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.967 -7.755 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.475 -7.756 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.928 -6.264 2.243 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.284 -5.233 4.685 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.671 -4.850 4.923 1.00 0.00 C ATOM 1508 C GLN A 97 -7.910 -3.396 4.530 1.00 0.00 C ATOM 1509 O GLN A 97 -8.664 -3.112 3.601 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.034 -5.060 6.394 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.423 -4.558 6.755 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.521 -5.489 6.279 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.320 -6.289 5.365 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.692 -5.389 6.898 1.00 0.00 N ATOM 0 H GLN A 97 -5.766 -5.489 5.526 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.308 -5.483 4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.969 -6.123 6.628 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.299 -4.551 7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.494 -4.442 7.836 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.574 -3.571 6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.815 -4.712 7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.468 -5.989 6.621 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.262 -2.481 5.244 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.406 -1.057 4.970 1.00 0.00 C ATOM 1525 C GLN A 98 -7.141 -0.756 3.498 1.00 0.00 C ATOM 1526 O GLN A 98 -8.006 -0.232 2.795 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.449 -0.248 5.847 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.967 -0.014 7.257 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.377 0.544 7.276 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -9.365 -0.343 7.287 1.00 0.00 O flip ATOM 1531 NE2 GLN A 98 -8.576 1.759 7.279 1.00 0.00 N flip ATOM 0 H GLN A 98 -6.633 -2.701 6.016 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.432 -0.770 5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.492 -0.768 5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.262 0.716 5.373 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.945 -0.954 7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.300 0.676 7.775 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.787 2.405 7.270 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.530 2.119 7.290 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.942 -1.092 3.037 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.563 -0.858 1.648 1.00 0.00 C ATOM 1542 C LEU A 99 -6.766 -1.008 0.722 1.00 0.00 C ATOM 1543 O LEU A 99 -6.932 -0.239 -0.224 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.459 -1.831 1.229 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.037 -1.451 1.643 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.069 -2.581 1.327 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.605 -0.167 0.951 1.00 0.00 C ATOM 0 H LEU A 99 -5.215 -1.528 3.605 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.190 0.163 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.688 -2.811 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.485 -1.933 0.144 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.026 -1.281 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.062 -2.292 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.367 -3.478 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.083 -2.783 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.591 0.088 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.633 -0.309 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.282 0.641 1.228 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.603 -2.001 1.005 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.792 -2.250 0.198 1.00 0.00 C ATOM 1561 C GLN A 100 -9.825 -1.145 0.396 1.00 0.00 C ATOM 1562 O GLN A 100 -10.336 -0.580 -0.570 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.403 -3.605 0.557 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.851 -4.758 -0.266 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.635 -6.041 -0.072 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.531 -6.359 -0.855 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.301 -6.787 0.974 1.00 0.00 N ATOM 0 H GLN A 100 -7.480 -2.645 1.786 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.493 -2.260 -0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.226 -3.806 1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.483 -3.555 0.419 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.864 -4.485 -1.321 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.810 -4.928 0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.552 -6.485 1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.793 -7.662 1.154 1.00 0.00 H new ATOM 1576 N MET A 101 -10.127 -0.843 1.654 1.00 0.00 N ATOM 1577 CA MET A 101 -11.099 0.195 1.978 1.00 0.00 C ATOM 1578 C MET A 101 -11.021 1.344 0.977 1.00 0.00 C ATOM 1579 O MET A 101 -12.029 1.739 0.391 1.00 0.00 O ATOM 1580 CB MET A 101 -10.862 0.721 3.395 1.00 0.00 C ATOM 1581 CG MET A 101 -11.530 -0.116 4.474 1.00 0.00 C ATOM 1582 SD MET A 101 -11.002 -1.840 4.441 1.00 0.00 S ATOM 1583 CE MET A 101 -12.420 -2.613 3.668 1.00 0.00 C ATOM 0 H MET A 101 -9.713 -1.302 2.466 1.00 0.00 H new ATOM 0 HA MET A 101 -12.095 -0.245 1.923 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.789 0.756 3.586 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.231 1.745 3.460 1.00 0.00 H new ATOM 0 HG2 MET A 101 -11.304 0.311 5.451 1.00 0.00 H new ATOM 0 HG3 MET A 101 -12.612 -0.069 4.348 1.00 0.00 H new ATOM 0 HE1 MET A 101 -12.409 -3.683 3.874 1.00 0.00 H new ATOM 0 HE2 MET A 101 -13.335 -2.176 4.067 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.381 -2.451 2.591 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.819 1.877 0.787 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.609 2.979 -0.144 1.00 0.00 C ATOM 1595 C LYS A 102 -10.110 2.617 -1.538 1.00 0.00 C ATOM 1596 O LYS A 102 -10.965 3.304 -2.098 1.00 0.00 O ATOM 1597 CB LYS A 102 -8.125 3.348 -0.203 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.511 3.621 1.159 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.931 4.978 1.698 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.013 5.441 2.819 1.00 0.00 C ATOM 1601 NZ LYS A 102 -7.562 6.628 3.531 1.00 0.00 N ATOM 0 H LYS A 102 -8.975 1.563 1.266 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.177 3.838 0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.577 2.538 -0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.004 4.231 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.813 2.841 1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.424 3.579 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.920 5.711 0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.956 4.924 2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.868 4.627 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.033 5.685 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.907 6.913 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.677 7.413 2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.486 6.388 3.945 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.574 1.535 -2.092 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.968 1.082 -3.421 1.00 0.00 C ATOM 1617 C ARG A 103 -11.440 0.684 -3.446 1.00 0.00 C ATOM 1618 O ARG A 103 -12.253 1.314 -4.123 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.101 -0.100 -3.857 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.615 -0.806 -5.102 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.995 -2.186 -5.256 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.838 -3.079 -6.047 1.00 0.00 N ATOM 1623 CZ ARG A 103 -10.837 -3.790 -5.536 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -11.117 -3.711 -4.242 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -11.559 -4.581 -6.320 1.00 0.00 N ATOM 0 H ARG A 103 -8.866 0.955 -1.642 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.822 1.908 -4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.087 0.253 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.044 -0.819 -3.040 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.700 -0.897 -5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.389 -0.204 -5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.018 -2.094 -5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.830 -2.621 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.649 -3.161 -7.046 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.565 -3.103 -3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.885 -4.258 -3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.347 -4.643 -7.316 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.326 -5.127 -5.927 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.776 -0.365 -2.704 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.151 -0.848 -2.642 1.00 0.00 C ATOM 1641 C TRP A 104 -14.135 0.316 -2.598 1.00 0.00 C ATOM 1642 O TRP A 104 -15.166 0.293 -3.270 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.345 -1.742 -1.416 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.757 -1.767 -0.916 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.747 -2.626 -1.301 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.337 -0.894 0.059 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.908 -2.338 -0.623 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.682 -1.281 0.217 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.851 0.176 0.815 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.544 -0.634 1.099 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.707 0.817 1.690 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.041 0.410 1.827 1.00 0.00 C ATOM 0 H TRP A 104 -11.116 -0.897 -2.137 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.346 -1.431 -3.542 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.037 -2.758 -1.664 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.690 -1.396 -0.616 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.634 -3.415 -2.030 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.794 -2.832 -0.729 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.824 0.496 0.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.573 -0.945 1.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.342 1.646 2.278 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.685 0.930 2.521 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.810 1.331 -1.805 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.667 2.504 -1.675 1.00 0.00 C ATOM 1665 C GLU A 105 -15.006 3.084 -3.045 1.00 0.00 C ATOM 1666 O GLU A 105 -16.170 3.349 -3.348 1.00 0.00 O ATOM 1667 CB GLU A 105 -13.986 3.568 -0.812 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.310 3.451 0.668 1.00 0.00 C ATOM 1669 CD GLU A 105 -13.607 4.503 1.504 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -12.410 4.315 1.809 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -14.252 5.513 1.853 1.00 0.00 O ATOM 0 H GLU A 105 -12.960 1.365 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.593 2.194 -1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.907 3.496 -0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.285 4.555 -1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.387 3.541 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.024 2.460 1.022 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.982 3.279 -3.868 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.170 3.830 -5.205 1.00 0.00 C ATOM 1680 C PHE A 106 -15.177 3.002 -5.998 1.00 0.00 C ATOM 1681 O PHE A 106 -16.116 3.540 -6.585 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.835 3.881 -5.951 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.982 3.832 -7.446 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -13.422 4.942 -8.148 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.679 2.677 -8.147 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.557 4.901 -9.523 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.812 2.630 -9.522 1.00 0.00 C ATOM 1688 CZ PHE A 106 -13.253 3.743 -10.211 1.00 0.00 C ATOM 0 H PHE A 106 -13.013 3.064 -3.633 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.560 4.843 -5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.308 4.795 -5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.215 3.045 -5.627 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.662 5.850 -7.615 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.335 1.803 -7.614 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -13.900 5.774 -10.059 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.571 1.723 -10.057 1.00 0.00 H new ATOM 0 HZ PHE A 106 -13.360 3.708 -11.285 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.975 1.688 -6.010 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.865 0.784 -6.730 1.00 0.00 C ATOM 1700 C HIS A 107 -17.318 1.018 -6.329 1.00 0.00 C ATOM 1701 O HIS A 107 -18.216 0.989 -7.170 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.477 -0.670 -6.459 1.00 0.00 C ATOM 1703 CG HIS A 107 -14.203 -1.085 -7.128 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -14.111 -1.338 -8.481 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.964 -1.290 -6.624 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.871 -1.682 -8.779 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -12.154 -1.660 -7.670 1.00 0.00 N ATOM 0 H HIS A 107 -14.203 1.226 -5.529 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.764 0.987 -7.796 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.377 -0.816 -5.383 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.283 -1.321 -6.796 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -14.880 -1.270 -9.147 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.667 -1.183 -5.591 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.505 -1.938 -9.763 1.00 0.00 H new ATOM 1716 N ASN A 108 -17.541 1.250 -5.040 1.00 0.00 N ATOM 1717 CA ASN A 108 -18.886 1.488 -4.527 1.00 0.00 C ATOM 1718 C ASN A 108 -19.369 2.887 -4.897 1.00 0.00 C ATOM 1719 O ASN A 108 -20.513 3.070 -5.313 1.00 0.00 O ATOM 1720 CB ASN A 108 -18.914 1.312 -3.008 1.00 0.00 C ATOM 1721 CG ASN A 108 -18.821 -0.144 -2.593 1.00 0.00 C ATOM 1722 OD1 ASN A 108 -17.753 -0.812 -3.014 1.00 0.00 O flip ATOM 1723 ND2 ASN A 108 -19.699 -0.661 -1.902 1.00 0.00 N flip ATOM 0 H ASN A 108 -16.808 1.278 -4.331 1.00 0.00 H new ATOM 0 HA ASN A 108 -19.556 0.759 -4.983 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -18.087 1.867 -2.565 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.834 1.742 -2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -20.502 -0.109 -1.601 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -19.623 -1.641 -1.630 1.00 0.00 H new ATOM 1730 N SER A 109 -18.489 3.871 -4.743 1.00 0.00 N ATOM 1731 CA SER A 109 -18.826 5.254 -5.058 1.00 0.00 C ATOM 1732 C SER A 109 -19.800 5.323 -6.230 1.00 0.00 C ATOM 1733 O SER A 109 -19.411 5.280 -7.397 1.00 0.00 O ATOM 1734 CB SER A 109 -17.560 6.048 -5.385 1.00 0.00 C ATOM 1735 OG SER A 109 -16.768 6.247 -4.227 1.00 0.00 O ATOM 0 H SER A 109 -17.537 3.736 -4.402 1.00 0.00 H new ATOM 0 HA SER A 109 -19.306 5.693 -4.183 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.979 5.517 -6.140 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.833 7.013 -5.813 1.00 0.00 H new ATOM 0 HG SER A 109 -16.514 5.378 -3.851 1.00 0.00 H new ATOM 1741 N PRO A 110 -21.099 5.433 -5.913 1.00 0.00 N ATOM 1742 CA PRO A 110 -22.157 5.510 -6.924 1.00 0.00 C ATOM 1743 C PRO A 110 -22.132 6.829 -7.690 1.00 0.00 C ATOM 1744 O PRO A 110 -21.424 7.770 -7.329 1.00 0.00 O ATOM 1745 CB PRO A 110 -23.443 5.393 -6.102 1.00 0.00 C ATOM 1746 CG PRO A 110 -23.071 5.884 -4.746 1.00 0.00 C ATOM 1747 CD PRO A 110 -21.634 5.490 -4.542 1.00 0.00 C ATOM 0 HA PRO A 110 -22.050 4.737 -7.685 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -24.245 5.992 -6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -23.798 4.363 -6.067 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -23.193 6.965 -4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -23.709 5.441 -3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -21.100 6.219 -3.932 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -21.549 4.528 -4.037 1.00 0.00 H new ATOM 1755 N PRO A 111 -22.921 6.901 -8.771 1.00 0.00 N ATOM 1756 CA PRO A 111 -23.008 8.101 -9.609 1.00 0.00 C ATOM 1757 C PRO A 111 -23.708 9.255 -8.899 1.00 0.00 C ATOM 1758 O PRO A 111 -24.212 9.097 -7.788 1.00 0.00 O ATOM 1759 CB PRO A 111 -23.831 7.635 -10.812 1.00 0.00 C ATOM 1760 CG PRO A 111 -24.642 6.495 -10.298 1.00 0.00 C ATOM 1761 CD PRO A 111 -23.791 5.818 -9.259 1.00 0.00 C ATOM 0 HA PRO A 111 -22.023 8.486 -9.873 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -24.468 8.435 -11.190 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -23.188 7.324 -11.635 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -25.579 6.846 -9.867 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -24.899 5.805 -11.102 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -24.396 5.396 -8.456 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -23.212 4.999 -9.685 1.00 0.00 H new ATOM 1769 N ALA A 112 -23.736 10.413 -9.549 1.00 0.00 N ATOM 1770 CA ALA A 112 -24.377 11.593 -8.981 1.00 0.00 C ATOM 1771 C ALA A 112 -25.896 11.481 -9.055 1.00 0.00 C ATOM 1772 O ALA A 112 -26.458 10.943 -10.009 1.00 0.00 O ATOM 1773 CB ALA A 112 -23.903 12.848 -9.698 1.00 0.00 C ATOM 0 H ALA A 112 -23.322 10.560 -10.470 1.00 0.00 H new ATOM 0 HA ALA A 112 -24.094 11.660 -7.930 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -24.390 13.721 -9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -22.823 12.943 -9.589 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -24.156 12.780 -10.756 1.00 0.00 H new ATOM 1779 N PRO A 113 -26.579 12.000 -8.024 1.00 0.00 N ATOM 1780 CA PRO A 113 -28.043 11.971 -7.949 1.00 0.00 C ATOM 1781 C PRO A 113 -28.695 12.894 -8.973 1.00 0.00 C ATOM 1782 O PRO A 113 -29.918 13.027 -9.013 1.00 0.00 O ATOM 1783 CB PRO A 113 -28.336 12.458 -6.528 1.00 0.00 C ATOM 1784 CG PRO A 113 -27.153 13.286 -6.160 1.00 0.00 C ATOM 1785 CD PRO A 113 -25.976 12.657 -6.852 1.00 0.00 C ATOM 0 HA PRO A 113 -28.442 10.980 -8.165 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -29.255 13.043 -6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -28.463 11.621 -5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -27.286 14.320 -6.478 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -27.008 13.301 -5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -25.237 13.403 -7.145 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -25.467 11.940 -6.207 1.00 0.00 H new ATOM 1793 N SER A 114 -27.870 13.530 -9.799 1.00 0.00 N ATOM 1794 CA SER A 114 -28.367 14.444 -10.821 1.00 0.00 C ATOM 1795 C SER A 114 -29.701 13.960 -11.381 1.00 0.00 C ATOM 1796 O SER A 114 -29.754 12.997 -12.144 1.00 0.00 O ATOM 1797 CB SER A 114 -27.346 14.581 -11.952 1.00 0.00 C ATOM 1798 OG SER A 114 -27.892 15.293 -13.049 1.00 0.00 O ATOM 0 H SER A 114 -26.855 13.429 -9.780 1.00 0.00 H new ATOM 0 HA SER A 114 -28.520 15.419 -10.358 1.00 0.00 H new ATOM 0 HB2 SER A 114 -26.459 15.097 -11.585 1.00 0.00 H new ATOM 0 HB3 SER A 114 -27.026 13.592 -12.279 1.00 0.00 H new ATOM 0 HG SER A 114 -27.219 15.368 -13.758 1.00 0.00 H new ATOM 1804 N GLY A 115 -30.778 14.637 -10.994 1.00 0.00 N ATOM 1805 CA GLY A 115 -32.098 14.262 -11.466 1.00 0.00 C ATOM 1806 C GLY A 115 -33.149 15.304 -11.137 1.00 0.00 C ATOM 1807 O GLY A 115 -33.359 15.660 -9.977 1.00 0.00 O ATOM 0 H GLY A 115 -30.760 15.438 -10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -32.065 14.111 -12.545 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -32.383 13.309 -11.020 1.00 0.00 H new ATOM 1811 N PRO A 116 -33.829 15.813 -12.175 1.00 0.00 N ATOM 1812 CA PRO A 116 -34.874 16.828 -12.015 1.00 0.00 C ATOM 1813 C PRO A 116 -36.125 16.273 -11.342 1.00 0.00 C ATOM 1814 O PRO A 116 -36.460 15.099 -11.505 1.00 0.00 O ATOM 1815 CB PRO A 116 -35.184 17.248 -13.454 1.00 0.00 C ATOM 1816 CG PRO A 116 -34.801 16.071 -14.283 1.00 0.00 C ATOM 1817 CD PRO A 116 -33.631 15.435 -13.584 1.00 0.00 C ATOM 0 HA PRO A 116 -34.549 17.649 -11.377 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -36.239 17.492 -13.577 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -34.617 18.134 -13.739 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -35.631 15.370 -14.372 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -34.532 16.377 -15.294 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -33.626 14.353 -13.713 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -32.682 15.806 -13.970 1.00 0.00 H new ATOM 1825 N SER A 117 -36.811 17.123 -10.585 1.00 0.00 N ATOM 1826 CA SER A 117 -38.023 16.715 -9.884 1.00 0.00 C ATOM 1827 C SER A 117 -39.135 16.378 -10.873 1.00 0.00 C ATOM 1828 O SER A 117 -39.011 16.627 -12.072 1.00 0.00 O ATOM 1829 CB SER A 117 -38.486 17.823 -8.937 1.00 0.00 C ATOM 1830 OG SER A 117 -39.028 18.917 -9.657 1.00 0.00 O ATOM 0 H SER A 117 -36.548 18.098 -10.441 1.00 0.00 H new ATOM 0 HA SER A 117 -37.794 15.822 -9.303 1.00 0.00 H new ATOM 0 HB2 SER A 117 -39.235 17.429 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 117 -37.646 18.163 -8.332 1.00 0.00 H new ATOM 0 HG SER A 117 -39.318 19.611 -9.029 1.00 0.00 H new ATOM 1836 N SER A 118 -40.221 15.809 -10.360 1.00 0.00 N ATOM 1837 CA SER A 118 -41.355 15.433 -11.197 1.00 0.00 C ATOM 1838 C SER A 118 -42.079 16.670 -11.718 1.00 0.00 C ATOM 1839 O SER A 118 -42.733 17.385 -10.960 1.00 0.00 O ATOM 1840 CB SER A 118 -42.327 14.552 -10.410 1.00 0.00 C ATOM 1841 OG SER A 118 -42.881 15.257 -9.313 1.00 0.00 O ATOM 0 H SER A 118 -40.340 15.598 -9.369 1.00 0.00 H new ATOM 0 HA SER A 118 -40.975 14.870 -12.050 1.00 0.00 H new ATOM 0 HB2 SER A 118 -43.126 14.210 -11.067 1.00 0.00 H new ATOM 0 HB3 SER A 118 -41.808 13.664 -10.050 1.00 0.00 H new ATOM 0 HG SER A 118 -43.082 16.177 -9.583 1.00 0.00 H new ATOM 1847 N GLY A 119 -41.958 16.916 -13.019 1.00 0.00 N ATOM 1848 CA GLY A 119 -42.606 18.067 -13.620 1.00 0.00 C ATOM 1849 C GLY A 119 -44.116 18.011 -13.500 1.00 0.00 C ATOM 1850 O GLY A 119 -44.699 16.930 -13.426 1.00 0.00 O ATOM 0 H GLY A 119 -41.423 16.339 -13.667 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -42.240 18.976 -13.143 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -42.330 18.127 -14.673 1.00 0.00 H new TER 1854 GLY A 119