USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 557 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 13 THR OG1 : rot 180:sc= 0.0651 USER MOD Set 1.2: A 22 LYS NZ :NH3+ -177:sc= 0.0705 (180deg=0) USER MOD Set 1.3: A 81 SER OG : rot 176:sc= -1.45 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 167:sc= -1.45 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -6.2! C(o=-6.2!,f=-8.6!) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.00644) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 MET CE :methyl 167:sc= -1.49! (180deg=-2.03!) USER MOD Single : A 33 HIS : no HD1:sc= -0.72 K(o=-0.72,f=-2.6) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -111:sc= 0.0171 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.0763 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.873 K(o=0.87,f=-9.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -149:sc= 0.148 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0233 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0493 USER MOD Single : A 55 GLN : amide:sc= -0.175 K(o=-0.17,f=-1.9!) USER MOD Single : A 60 THR OG1 : rot 77:sc= 1.14 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 20.695 -4.850 -6.829 1.00 0.00 N ATOM 18 CA LYS A 2 19.636 -4.526 -5.830 1.00 0.00 C ATOM 19 C LYS A 2 19.648 -3.029 -5.514 1.00 0.00 C ATOM 20 O LYS A 2 20.266 -2.590 -4.564 1.00 0.00 O ATOM 21 CB LYS A 2 19.997 -5.340 -4.587 1.00 0.00 C ATOM 22 CG LYS A 2 21.383 -4.927 -4.090 1.00 0.00 C ATOM 23 CD LYS A 2 22.337 -6.118 -4.191 1.00 0.00 C ATOM 24 CE LYS A 2 23.172 -6.214 -2.912 1.00 0.00 C ATOM 25 NZ LYS A 2 22.482 -7.240 -2.081 1.00 0.00 N ATOM 0 HA LYS A 2 18.638 -4.765 -6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.255 -5.177 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.985 -6.405 -4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 2 21.760 -4.094 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.323 -4.582 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.772 -7.038 -4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 2 22.990 -6.002 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 2 24.198 -6.508 -3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.218 -5.254 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.995 -7.363 -1.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.509 -6.930 -1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 22.459 -8.144 -2.594 1.00 0.00 H new ATOM 39 N ALA A 3 18.973 -2.241 -6.304 1.00 0.00 N ATOM 40 CA ALA A 3 18.949 -0.773 -6.049 1.00 0.00 C ATOM 41 C ALA A 3 17.789 -0.420 -5.123 1.00 0.00 C ATOM 42 O ALA A 3 17.354 0.712 -5.050 1.00 0.00 O ATOM 43 CB ALA A 3 18.745 -0.141 -7.420 1.00 0.00 C ATOM 0 H ALA A 3 18.437 -2.550 -7.115 1.00 0.00 H new ATOM 0 HA ALA A 3 19.861 -0.421 -5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.716 0.944 -7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.568 -0.423 -8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.805 -0.492 -7.846 1.00 0.00 H new ATOM 49 N SER A 4 17.290 -1.387 -4.419 1.00 0.00 N ATOM 50 CA SER A 4 16.153 -1.130 -3.489 1.00 0.00 C ATOM 51 C SER A 4 15.011 -0.435 -4.236 1.00 0.00 C ATOM 52 O SER A 4 14.908 -0.517 -5.444 1.00 0.00 O ATOM 53 CB SER A 4 16.725 -0.214 -2.408 1.00 0.00 C ATOM 54 OG SER A 4 17.965 -0.741 -1.955 1.00 0.00 O ATOM 0 H SER A 4 17.619 -2.352 -4.444 1.00 0.00 H new ATOM 0 HA SER A 4 15.745 -2.049 -3.068 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.867 0.791 -2.805 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.025 -0.133 -1.576 1.00 0.00 H new ATOM 0 HG SER A 4 18.336 -0.155 -1.263 1.00 0.00 H new ATOM 60 N CYS A 5 14.152 0.249 -3.530 1.00 0.00 N ATOM 61 CA CYS A 5 13.021 0.947 -4.205 1.00 0.00 C ATOM 62 C CYS A 5 12.907 2.385 -3.693 1.00 0.00 C ATOM 63 O CYS A 5 13.793 2.893 -3.035 1.00 0.00 O ATOM 64 CB CYS A 5 11.773 0.145 -3.829 1.00 0.00 C ATOM 65 SG CYS A 5 11.496 -1.156 -5.057 1.00 0.00 S ATOM 0 H CYS A 5 14.184 0.355 -2.516 1.00 0.00 H new ATOM 0 HA CYS A 5 13.158 1.002 -5.285 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.895 -0.295 -2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.906 0.804 -3.780 1.00 0.00 H new ATOM 70 N LYS A 6 11.820 3.044 -3.988 1.00 0.00 N ATOM 71 CA LYS A 6 11.647 4.448 -3.519 1.00 0.00 C ATOM 72 C LYS A 6 10.210 4.668 -3.042 1.00 0.00 C ATOM 73 O LYS A 6 9.298 4.769 -3.837 1.00 0.00 O ATOM 74 CB LYS A 6 11.941 5.309 -4.747 1.00 0.00 C ATOM 75 CG LYS A 6 12.575 6.629 -4.305 1.00 0.00 C ATOM 76 CD LYS A 6 11.770 7.797 -4.877 1.00 0.00 C ATOM 77 CE LYS A 6 12.671 8.644 -5.777 1.00 0.00 C ATOM 78 NZ LYS A 6 12.906 9.901 -5.011 1.00 0.00 N ATOM 0 H LYS A 6 11.044 2.670 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 6 12.302 4.692 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.612 4.780 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.020 5.502 -5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.598 6.687 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.608 6.682 -4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.919 7.422 -5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.369 8.407 -4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.609 8.131 -5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.193 8.849 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.517 10.535 -5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.996 10.370 -4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.369 9.675 -4.107 1.00 0.00 H new ATOM 92 N LEU A 7 10.007 4.735 -1.749 1.00 0.00 N ATOM 93 CA LEU A 7 8.630 4.944 -1.204 1.00 0.00 C ATOM 94 C LEU A 7 7.819 5.875 -2.118 1.00 0.00 C ATOM 95 O LEU A 7 7.933 7.081 -2.025 1.00 0.00 O ATOM 96 CB LEU A 7 8.843 5.592 0.165 1.00 0.00 C ATOM 97 CG LEU A 7 9.707 6.847 0.009 1.00 0.00 C ATOM 98 CD1 LEU A 7 8.915 8.072 0.469 1.00 0.00 C ATOM 99 CD2 LEU A 7 10.968 6.706 0.863 1.00 0.00 C ATOM 0 H LEU A 7 10.740 4.653 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 7 8.072 4.010 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.882 5.852 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.326 4.887 0.841 1.00 0.00 H new ATOM 0 HG LEU A 7 9.987 6.968 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.530 8.965 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.015 8.173 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.635 7.952 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.584 7.599 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.687 6.586 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.533 5.833 0.536 1.00 0.00 H new ATOM 111 N PRO A 8 7.026 5.281 -2.979 1.00 0.00 N ATOM 112 CA PRO A 8 6.197 6.070 -3.922 1.00 0.00 C ATOM 113 C PRO A 8 5.159 6.902 -3.162 1.00 0.00 C ATOM 114 O PRO A 8 4.549 7.798 -3.708 1.00 0.00 O ATOM 115 CB PRO A 8 5.518 4.984 -4.762 1.00 0.00 C ATOM 116 CG PRO A 8 5.986 3.604 -4.263 1.00 0.00 C ATOM 117 CD PRO A 8 6.916 3.804 -3.059 1.00 0.00 C ATOM 0 HA PRO A 8 6.770 6.782 -4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.434 5.067 -4.681 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.769 5.109 -5.815 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.128 2.994 -3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.507 3.072 -5.059 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.497 3.379 -2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.887 3.333 -3.213 1.00 0.00 H new ATOM 125 N VAL A 9 4.950 6.608 -1.907 1.00 0.00 N ATOM 126 CA VAL A 9 3.948 7.380 -1.119 1.00 0.00 C ATOM 127 C VAL A 9 4.549 7.811 0.221 1.00 0.00 C ATOM 128 O VAL A 9 5.652 7.435 0.569 1.00 0.00 O ATOM 129 CB VAL A 9 2.780 6.416 -0.895 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.522 7.212 -0.544 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.524 5.604 -2.168 1.00 0.00 C ATOM 0 H VAL A 9 5.429 5.868 -1.394 1.00 0.00 H new ATOM 0 HA VAL A 9 3.632 8.287 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 9 3.028 5.739 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.690 6.526 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.697 7.787 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.281 7.891 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.692 4.920 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.280 6.280 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.418 5.033 -2.421 1.00 0.00 H new ATOM 141 N LYS A 10 3.833 8.597 0.978 1.00 0.00 N ATOM 142 CA LYS A 10 4.362 9.050 2.297 1.00 0.00 C ATOM 143 C LYS A 10 3.413 8.621 3.420 1.00 0.00 C ATOM 144 O LYS A 10 3.588 8.983 4.567 1.00 0.00 O ATOM 145 CB LYS A 10 4.422 10.575 2.196 1.00 0.00 C ATOM 146 CG LYS A 10 3.035 11.121 1.849 1.00 0.00 C ATOM 147 CD LYS A 10 3.085 11.809 0.483 1.00 0.00 C ATOM 148 CE LYS A 10 1.856 12.709 0.319 1.00 0.00 C ATOM 149 NZ LYS A 10 2.400 14.030 -0.101 1.00 0.00 N ATOM 0 H LYS A 10 2.904 8.945 0.740 1.00 0.00 H new ATOM 0 HA LYS A 10 5.337 8.619 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.765 10.999 3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.142 10.871 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.307 10.310 1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.709 11.828 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.996 12.400 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.111 11.063 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.170 12.309 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.299 12.790 1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.617 14.702 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.044 14.389 0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.920 13.923 -0.996 1.00 0.00 H new ATOM 163 N LYS A 11 2.411 7.852 3.098 1.00 0.00 N ATOM 164 CA LYS A 11 1.449 7.397 4.142 1.00 0.00 C ATOM 165 C LYS A 11 0.701 6.156 3.650 1.00 0.00 C ATOM 166 O LYS A 11 -0.487 6.008 3.860 1.00 0.00 O ATOM 167 CB LYS A 11 0.484 8.571 4.325 1.00 0.00 C ATOM 168 CG LYS A 11 -0.072 8.565 5.750 1.00 0.00 C ATOM 169 CD LYS A 11 -1.067 9.715 5.914 1.00 0.00 C ATOM 170 CE LYS A 11 -1.894 9.502 7.184 1.00 0.00 C ATOM 171 NZ LYS A 11 -1.191 10.288 8.236 1.00 0.00 N ATOM 0 H LYS A 11 2.216 7.518 2.154 1.00 0.00 H new ATOM 0 HA LYS A 11 1.940 7.126 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.999 9.511 4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.332 8.499 3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.562 7.614 5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.741 8.668 6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.535 10.665 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.723 9.768 5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.919 9.848 7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.946 8.446 7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.699 10.192 9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.220 9.931 8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.163 11.290 7.960 1.00 0.00 H new ATOM 185 N ALA A 12 1.390 5.268 2.986 1.00 0.00 N ATOM 186 CA ALA A 12 0.722 4.038 2.466 1.00 0.00 C ATOM 187 C ALA A 12 0.799 2.903 3.490 1.00 0.00 C ATOM 188 O ALA A 12 1.837 2.636 4.057 1.00 0.00 O ATOM 189 CB ALA A 12 1.502 3.668 1.205 1.00 0.00 C ATOM 0 H ALA A 12 2.386 5.340 2.781 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.336 4.206 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.072 2.770 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.447 4.488 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.544 3.481 1.464 1.00 0.00 H new ATOM 195 N THR A 13 -0.291 2.221 3.714 1.00 0.00 N ATOM 196 CA THR A 13 -0.284 1.090 4.686 1.00 0.00 C ATOM 197 C THR A 13 -0.189 -0.235 3.927 1.00 0.00 C ATOM 198 O THR A 13 -1.170 -0.745 3.423 1.00 0.00 O ATOM 199 CB THR A 13 -1.621 1.197 5.421 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.842 2.549 5.799 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.594 0.315 6.669 1.00 0.00 C ATOM 0 H THR A 13 -1.189 2.399 3.264 1.00 0.00 H new ATOM 0 HA THR A 13 0.560 1.129 5.375 1.00 0.00 H new ATOM 0 HB THR A 13 -2.425 0.865 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.699 2.621 6.269 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.548 0.393 7.191 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.423 -0.722 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.791 0.643 7.329 1.00 0.00 H new ATOM 209 N VAL A 14 0.987 -0.795 3.833 1.00 0.00 N ATOM 210 CA VAL A 14 1.138 -2.082 3.098 1.00 0.00 C ATOM 211 C VAL A 14 1.189 -3.254 4.087 1.00 0.00 C ATOM 212 O VAL A 14 1.138 -3.069 5.286 1.00 0.00 O ATOM 213 CB VAL A 14 2.454 -1.942 2.319 1.00 0.00 C ATOM 214 CG1 VAL A 14 3.640 -2.362 3.194 1.00 0.00 C ATOM 215 CG2 VAL A 14 2.400 -2.831 1.075 1.00 0.00 C ATOM 0 H VAL A 14 1.847 -0.418 4.232 1.00 0.00 H new ATOM 0 HA VAL A 14 0.302 -2.285 2.429 1.00 0.00 H new ATOM 0 HB VAL A 14 2.584 -0.900 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.565 -2.257 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.682 -1.727 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.517 -3.401 3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.332 -2.735 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.262 -3.870 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.567 -2.523 0.443 1.00 0.00 H new ATOM 225 N VAL A 15 1.280 -4.458 3.592 1.00 0.00 N ATOM 226 CA VAL A 15 1.324 -5.636 4.503 1.00 0.00 C ATOM 227 C VAL A 15 2.501 -6.549 4.148 1.00 0.00 C ATOM 228 O VAL A 15 2.517 -7.185 3.114 1.00 0.00 O ATOM 229 CB VAL A 15 -0.002 -6.358 4.269 1.00 0.00 C ATOM 230 CG1 VAL A 15 -0.044 -7.632 5.114 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.158 -5.439 4.671 1.00 0.00 C ATOM 0 H VAL A 15 1.326 -4.677 2.597 1.00 0.00 H new ATOM 0 HA VAL A 15 1.459 -5.345 5.545 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.095 -6.619 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.990 -8.148 4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.781 -8.285 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.047 -7.372 6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.105 -5.952 4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.066 -5.179 5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.127 -4.531 4.069 1.00 0.00 H new ATOM 241 N TYR A 16 3.482 -6.622 5.005 1.00 0.00 N ATOM 242 CA TYR A 16 4.656 -7.500 4.726 1.00 0.00 C ATOM 243 C TYR A 16 4.356 -8.928 5.183 1.00 0.00 C ATOM 244 O TYR A 16 3.258 -9.420 5.021 1.00 0.00 O ATOM 245 CB TYR A 16 5.804 -6.901 5.541 1.00 0.00 C ATOM 246 CG TYR A 16 7.111 -7.144 4.819 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.256 -8.264 3.989 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.178 -6.250 4.978 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.465 -8.489 3.319 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.388 -6.477 4.308 1.00 0.00 C ATOM 251 CZ TYR A 16 9.531 -7.596 3.479 1.00 0.00 C ATOM 252 OH TYR A 16 10.722 -7.820 2.819 1.00 0.00 O ATOM 0 H TYR A 16 3.522 -6.112 5.887 1.00 0.00 H new ATOM 0 HA TYR A 16 4.898 -7.548 3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.646 -5.832 5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.834 -7.351 6.533 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.435 -8.954 3.866 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.068 -5.386 5.617 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.575 -9.352 2.679 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.211 -5.788 4.431 1.00 0.00 H new ATOM 0 HH TYR A 16 11.279 -7.015 2.867 1.00 0.00 H new ATOM 262 N GLN A 17 5.321 -9.595 5.752 1.00 0.00 N ATOM 263 CA GLN A 17 5.086 -10.992 6.223 1.00 0.00 C ATOM 264 C GLN A 17 4.025 -11.004 7.327 1.00 0.00 C ATOM 265 O GLN A 17 4.318 -11.241 8.481 1.00 0.00 O ATOM 266 CB GLN A 17 6.432 -11.460 6.775 1.00 0.00 C ATOM 267 CG GLN A 17 7.524 -11.230 5.730 1.00 0.00 C ATOM 268 CD GLN A 17 8.685 -12.193 5.987 1.00 0.00 C ATOM 269 OE1 GLN A 17 8.648 -13.334 5.572 1.00 0.00 O ATOM 270 NE2 GLN A 17 9.722 -11.778 6.662 1.00 0.00 N ATOM 0 H GLN A 17 6.262 -9.235 5.912 1.00 0.00 H new ATOM 0 HA GLN A 17 4.726 -11.640 5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.670 -10.917 7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.382 -12.517 7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.123 -11.386 4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.875 -10.199 5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.753 -10.820 7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.501 -12.412 6.841 1.00 0.00 H new ATOM 279 N GLY A 18 2.794 -10.746 6.981 1.00 0.00 N ATOM 280 CA GLY A 18 1.718 -10.737 8.010 1.00 0.00 C ATOM 281 C GLY A 18 1.914 -9.535 8.936 1.00 0.00 C ATOM 282 O GLY A 18 1.624 -9.591 10.114 1.00 0.00 O ATOM 0 H GLY A 18 2.487 -10.541 6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.741 -10.685 7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.742 -11.662 8.586 1.00 0.00 H new ATOM 286 N GLU A 19 2.409 -8.445 8.411 1.00 0.00 N ATOM 287 CA GLU A 19 2.625 -7.239 9.262 1.00 0.00 C ATOM 288 C GLU A 19 2.110 -5.986 8.547 1.00 0.00 C ATOM 289 O GLU A 19 2.526 -5.672 7.450 1.00 0.00 O ATOM 290 CB GLU A 19 4.140 -7.157 9.454 1.00 0.00 C ATOM 291 CG GLU A 19 4.610 -8.313 10.340 1.00 0.00 C ATOM 292 CD GLU A 19 5.612 -7.790 11.369 1.00 0.00 C ATOM 293 OE1 GLU A 19 6.768 -7.627 11.012 1.00 0.00 O ATOM 294 OE2 GLU A 19 5.208 -7.557 12.496 1.00 0.00 O ATOM 0 H GLU A 19 2.672 -8.338 7.431 1.00 0.00 H new ATOM 0 HA GLU A 19 2.094 -7.305 10.212 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.642 -7.200 8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.408 -6.204 9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.758 -8.768 10.845 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.071 -9.089 9.729 1.00 0.00 H new ATOM 301 N ARG A 20 1.212 -5.267 9.162 1.00 0.00 N ATOM 302 CA ARG A 20 0.675 -4.034 8.517 1.00 0.00 C ATOM 303 C ARG A 20 1.436 -2.805 9.023 1.00 0.00 C ATOM 304 O ARG A 20 1.535 -2.574 10.211 1.00 0.00 O ATOM 305 CB ARG A 20 -0.790 -3.968 8.943 1.00 0.00 C ATOM 306 CG ARG A 20 -1.488 -5.283 8.588 1.00 0.00 C ATOM 307 CD ARG A 20 -2.929 -5.253 9.102 1.00 0.00 C ATOM 308 NE ARG A 20 -2.814 -5.421 10.577 1.00 0.00 N ATOM 309 CZ ARG A 20 -2.914 -6.608 11.110 1.00 0.00 C ATOM 310 NH1 ARG A 20 -3.920 -7.379 10.796 1.00 0.00 N ATOM 311 NH2 ARG A 20 -2.011 -7.024 11.955 1.00 0.00 N ATOM 0 H ARG A 20 0.827 -5.479 10.082 1.00 0.00 H new ATOM 0 HA ARG A 20 0.782 -4.054 7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.859 -3.786 10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.287 -3.135 8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.479 -5.431 7.508 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.951 -6.122 9.029 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.419 -4.313 8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.523 -6.052 8.659 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.657 -4.607 11.172 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.626 -7.053 10.135 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.000 -8.307 11.211 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.225 -6.421 12.200 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.091 -7.952 12.371 1.00 0.00 H new ATOM 325 N VAL A 21 1.972 -2.012 8.135 1.00 0.00 N ATOM 326 CA VAL A 21 2.722 -0.801 8.578 1.00 0.00 C ATOM 327 C VAL A 21 2.729 0.249 7.465 1.00 0.00 C ATOM 328 O VAL A 21 2.203 0.031 6.392 1.00 0.00 O ATOM 329 CB VAL A 21 4.139 -1.296 8.865 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.119 -2.220 10.084 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.666 -2.068 7.653 1.00 0.00 C ATOM 0 H VAL A 21 1.924 -2.149 7.125 1.00 0.00 H new ATOM 0 HA VAL A 21 2.273 -0.331 9.453 1.00 0.00 H new ATOM 0 HB VAL A 21 4.787 -0.443 9.064 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.129 -2.573 10.289 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.743 -1.673 10.949 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.470 -3.073 9.884 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.677 -2.421 7.858 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.017 -2.921 7.455 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.680 -1.413 6.782 1.00 0.00 H new ATOM 341 N LYS A 22 3.315 1.389 7.711 1.00 0.00 N ATOM 342 CA LYS A 22 3.345 2.446 6.661 1.00 0.00 C ATOM 343 C LYS A 22 4.647 2.371 5.861 1.00 0.00 C ATOM 344 O LYS A 22 5.730 2.416 6.410 1.00 0.00 O ATOM 345 CB LYS A 22 3.257 3.769 7.422 1.00 0.00 C ATOM 346 CG LYS A 22 2.446 4.774 6.601 1.00 0.00 C ATOM 347 CD LYS A 22 0.979 4.342 6.571 1.00 0.00 C ATOM 348 CE LYS A 22 0.497 4.081 8.000 1.00 0.00 C ATOM 349 NZ LYS A 22 -0.882 4.640 8.048 1.00 0.00 N ATOM 0 H LYS A 22 3.772 1.633 8.589 1.00 0.00 H new ATOM 0 HA LYS A 22 2.531 2.333 5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.787 3.612 8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.257 4.160 7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.534 5.770 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.840 4.833 5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.370 5.117 6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.866 3.442 5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.499 3.015 8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.145 4.566 8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.262 4.545 9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.858 5.645 7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.490 4.121 7.383 1.00 0.00 H new ATOM 363 N ILE A 23 4.548 2.260 4.565 1.00 0.00 N ATOM 364 CA ILE A 23 5.776 2.185 3.722 1.00 0.00 C ATOM 365 C ILE A 23 6.567 3.492 3.827 1.00 0.00 C ATOM 366 O ILE A 23 7.739 3.546 3.514 1.00 0.00 O ATOM 367 CB ILE A 23 5.261 1.980 2.298 1.00 0.00 C ATOM 368 CG1 ILE A 23 6.428 1.607 1.379 1.00 0.00 C ATOM 369 CG2 ILE A 23 4.616 3.274 1.799 1.00 0.00 C ATOM 370 CD1 ILE A 23 5.892 1.246 -0.008 1.00 0.00 C ATOM 0 H ILE A 23 3.668 2.218 4.052 1.00 0.00 H new ATOM 0 HA ILE A 23 6.446 1.384 4.032 1.00 0.00 H new ATOM 0 HB ILE A 23 4.523 1.178 2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.127 2.440 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.979 0.765 1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.248 3.129 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.785 3.541 2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.355 4.075 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.723 0.981 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.210 0.399 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.360 2.101 -0.426 1.00 0.00 H new ATOM 382 N GLN A 24 5.933 4.546 4.266 1.00 0.00 N ATOM 383 CA GLN A 24 6.649 5.847 4.391 1.00 0.00 C ATOM 384 C GLN A 24 7.483 5.871 5.675 1.00 0.00 C ATOM 385 O GLN A 24 8.331 6.721 5.859 1.00 0.00 O ATOM 386 CB GLN A 24 5.545 6.901 4.453 1.00 0.00 C ATOM 387 CG GLN A 24 4.686 6.664 5.697 1.00 0.00 C ATOM 388 CD GLN A 24 4.738 7.899 6.597 1.00 0.00 C ATOM 389 OE1 GLN A 24 5.510 8.806 6.361 1.00 0.00 O ATOM 390 NE2 GLN A 24 3.942 7.971 7.627 1.00 0.00 N ATOM 0 H GLN A 24 4.951 4.562 4.543 1.00 0.00 H new ATOM 0 HA GLN A 24 7.335 6.021 3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.981 7.899 4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.928 6.850 3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.656 6.456 5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.047 5.790 6.240 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.294 7.209 7.825 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.968 8.790 8.235 1.00 0.00 H new ATOM 399 N GLU A 25 7.248 4.945 6.565 1.00 0.00 N ATOM 400 CA GLU A 25 8.028 4.918 7.836 1.00 0.00 C ATOM 401 C GLU A 25 9.001 3.736 7.840 1.00 0.00 C ATOM 402 O GLU A 25 10.203 3.908 7.897 1.00 0.00 O ATOM 403 CB GLU A 25 6.983 4.749 8.940 1.00 0.00 C ATOM 404 CG GLU A 25 6.093 5.993 9.004 1.00 0.00 C ATOM 405 CD GLU A 25 4.919 5.730 9.948 1.00 0.00 C ATOM 406 OE1 GLU A 25 4.455 4.602 9.986 1.00 0.00 O ATOM 407 OE2 GLU A 25 4.504 6.661 10.620 1.00 0.00 O ATOM 0 H GLU A 25 6.551 4.207 6.467 1.00 0.00 H new ATOM 0 HA GLU A 25 8.624 5.821 7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.375 3.865 8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.476 4.593 9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.670 6.849 9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.725 6.242 8.009 1.00 0.00 H new ATOM 414 N LYS A 26 8.492 2.536 7.782 1.00 0.00 N ATOM 415 CA LYS A 26 9.389 1.342 7.785 1.00 0.00 C ATOM 416 C LYS A 26 10.295 1.352 6.550 1.00 0.00 C ATOM 417 O LYS A 26 11.414 0.881 6.587 1.00 0.00 O ATOM 418 CB LYS A 26 8.447 0.139 7.749 1.00 0.00 C ATOM 419 CG LYS A 26 9.253 -1.145 7.951 1.00 0.00 C ATOM 420 CD LYS A 26 8.509 -2.069 8.917 1.00 0.00 C ATOM 421 CE LYS A 26 8.580 -3.509 8.404 1.00 0.00 C ATOM 422 NZ LYS A 26 7.602 -4.263 9.237 1.00 0.00 N ATOM 0 H LYS A 26 7.494 2.329 7.733 1.00 0.00 H new ATOM 0 HA LYS A 26 10.044 1.322 8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.690 0.233 8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.920 0.104 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.404 -1.646 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.241 -0.908 8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.950 -2.004 9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.469 -1.755 9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.323 -3.564 7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.585 -3.917 8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.790 -5.283 9.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.695 -3.972 10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.637 -4.062 8.906 1.00 0.00 H new ATOM 436 N PHE A 27 9.821 1.885 5.457 1.00 0.00 N ATOM 437 CA PHE A 27 10.656 1.924 4.220 1.00 0.00 C ATOM 438 C PHE A 27 10.990 3.373 3.855 1.00 0.00 C ATOM 439 O PHE A 27 10.989 3.747 2.699 1.00 0.00 O ATOM 440 CB PHE A 27 9.789 1.282 3.136 1.00 0.00 C ATOM 441 CG PHE A 27 9.400 -0.112 3.564 1.00 0.00 C ATOM 442 CD1 PHE A 27 8.406 -0.295 4.533 1.00 0.00 C ATOM 443 CD2 PHE A 27 10.036 -1.222 2.995 1.00 0.00 C ATOM 444 CE1 PHE A 27 8.046 -1.587 4.932 1.00 0.00 C ATOM 445 CE2 PHE A 27 9.676 -2.514 3.394 1.00 0.00 C ATOM 446 CZ PHE A 27 8.682 -2.697 4.363 1.00 0.00 C ATOM 0 H PHE A 27 8.892 2.295 5.366 1.00 0.00 H new ATOM 0 HA PHE A 27 11.604 1.401 4.344 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.897 1.884 2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.334 1.246 2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.917 0.562 4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 27 10.804 -1.081 2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.278 -1.728 5.678 1.00 0.00 H new ATOM 0 HE2 PHE A 27 10.165 -3.371 2.954 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.406 -3.694 4.672 1.00 0.00 H new ATOM 456 N LYS A 28 11.274 4.190 4.831 1.00 0.00 N ATOM 457 CA LYS A 28 11.605 5.614 4.539 1.00 0.00 C ATOM 458 C LYS A 28 12.797 5.694 3.579 1.00 0.00 C ATOM 459 O LYS A 28 12.895 6.596 2.770 1.00 0.00 O ATOM 460 CB LYS A 28 11.965 6.220 5.895 1.00 0.00 C ATOM 461 CG LYS A 28 11.085 7.444 6.155 1.00 0.00 C ATOM 462 CD LYS A 28 10.448 7.329 7.542 1.00 0.00 C ATOM 463 CE LYS A 28 11.189 8.243 8.521 1.00 0.00 C ATOM 464 NZ LYS A 28 10.120 8.850 9.362 1.00 0.00 N ATOM 0 H LYS A 28 11.291 3.934 5.818 1.00 0.00 H new ATOM 0 HA LYS A 28 10.779 6.142 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.823 5.482 6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.017 6.505 5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.681 8.354 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.310 7.517 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.395 7.607 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.490 6.297 7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.898 7.680 9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.759 9.008 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.549 9.491 10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.464 9.385 8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.599 8.098 9.857 1.00 0.00 H new ATOM 478 N ASN A 29 13.700 4.755 3.660 1.00 0.00 N ATOM 479 CA ASN A 29 14.880 4.777 2.749 1.00 0.00 C ATOM 480 C ASN A 29 14.660 3.804 1.587 1.00 0.00 C ATOM 481 O ASN A 29 15.521 3.013 1.256 1.00 0.00 O ATOM 482 CB ASN A 29 16.059 4.324 3.610 1.00 0.00 C ATOM 483 CG ASN A 29 16.371 5.395 4.657 1.00 0.00 C ATOM 484 OD1 ASN A 29 16.941 6.421 4.342 1.00 0.00 O ATOM 485 ND2 ASN A 29 16.020 5.198 5.899 1.00 0.00 N ATOM 0 H ASN A 29 13.672 3.975 4.316 1.00 0.00 H new ATOM 0 HA ASN A 29 15.051 5.763 2.316 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.823 3.380 4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.933 4.148 2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.224 5.905 6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.542 4.337 6.163 1.00 0.00 H new ATOM 492 N GLY A 30 13.512 3.853 0.969 1.00 0.00 N ATOM 493 CA GLY A 30 13.236 2.928 -0.165 1.00 0.00 C ATOM 494 C GLY A 30 13.127 1.497 0.362 1.00 0.00 C ATOM 495 O GLY A 30 13.531 1.203 1.469 1.00 0.00 O ATOM 0 H GLY A 30 12.753 4.494 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.311 3.214 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.033 2.995 -0.906 1.00 0.00 H new ATOM 499 N MET A 31 12.583 0.605 -0.419 1.00 0.00 N ATOM 500 CA MET A 31 12.451 -0.807 0.043 1.00 0.00 C ATOM 501 C MET A 31 13.568 -1.665 -0.556 1.00 0.00 C ATOM 502 O MET A 31 14.107 -1.356 -1.601 1.00 0.00 O ATOM 503 CB MET A 31 11.089 -1.273 -0.470 1.00 0.00 C ATOM 504 CG MET A 31 10.019 -0.253 -0.077 1.00 0.00 C ATOM 505 SD MET A 31 9.049 0.196 -1.539 1.00 0.00 S ATOM 506 CE MET A 31 7.792 -1.096 -1.383 1.00 0.00 C ATOM 0 H MET A 31 12.225 0.791 -1.356 1.00 0.00 H new ATOM 0 HA MET A 31 12.527 -0.892 1.127 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.117 -1.388 -1.554 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.846 -2.250 -0.052 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.368 -0.670 0.691 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.486 0.635 0.349 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.957 -0.874 -2.048 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.225 -2.059 -1.653 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.436 -1.134 -0.354 1.00 0.00 H new ATOM 516 N LEU A 32 13.917 -2.740 0.093 1.00 0.00 N ATOM 517 CA LEU A 32 14.996 -3.615 -0.445 1.00 0.00 C ATOM 518 C LEU A 32 14.578 -4.195 -1.798 1.00 0.00 C ATOM 519 O LEU A 32 13.412 -4.220 -2.140 1.00 0.00 O ATOM 520 CB LEU A 32 15.157 -4.724 0.592 1.00 0.00 C ATOM 521 CG LEU A 32 15.866 -4.166 1.827 1.00 0.00 C ATOM 522 CD1 LEU A 32 15.145 -4.641 3.089 1.00 0.00 C ATOM 523 CD2 LEU A 32 17.313 -4.663 1.849 1.00 0.00 C ATOM 0 H LEU A 32 13.503 -3.051 0.972 1.00 0.00 H new ATOM 0 HA LEU A 32 15.928 -3.074 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.181 -5.123 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.731 -5.550 0.171 1.00 0.00 H new ATOM 0 HG LEU A 32 15.854 -3.077 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.651 -4.243 3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.114 -4.289 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.156 -5.730 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.821 -4.267 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.323 -5.752 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.828 -4.325 0.950 1.00 0.00 H new ATOM 535 N HIS A 33 15.521 -4.655 -2.574 1.00 0.00 N ATOM 536 CA HIS A 33 15.178 -5.225 -3.908 1.00 0.00 C ATOM 537 C HIS A 33 14.538 -6.608 -3.755 1.00 0.00 C ATOM 538 O HIS A 33 14.907 -7.384 -2.895 1.00 0.00 O ATOM 539 CB HIS A 33 16.514 -5.332 -4.641 1.00 0.00 C ATOM 540 CG HIS A 33 16.337 -6.144 -5.895 1.00 0.00 C ATOM 541 ND1 HIS A 33 15.655 -5.660 -6.999 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.754 -7.407 -6.234 1.00 0.00 C ATOM 543 CE1 HIS A 33 15.681 -6.618 -7.944 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.338 -7.705 -7.529 1.00 0.00 N ATOM 0 H HIS A 33 16.514 -4.661 -2.342 1.00 0.00 H new ATOM 0 HA HIS A 33 14.460 -4.607 -4.447 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.885 -4.338 -4.889 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.258 -5.798 -3.996 1.00 0.00 H new ATOM 0 HD2 HIS A 33 17.319 -8.069 -5.594 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.226 -6.520 -8.919 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.500 -8.567 -8.049 1.00 0.00 H new ATOM 552 N GLY A 34 13.587 -6.926 -4.593 1.00 0.00 N ATOM 553 CA GLY A 34 12.930 -8.265 -4.508 1.00 0.00 C ATOM 554 C GLY A 34 11.955 -8.313 -3.324 1.00 0.00 C ATOM 555 O GLY A 34 11.255 -9.286 -3.131 1.00 0.00 O ATOM 0 H GLY A 34 13.236 -6.317 -5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.396 -8.474 -5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.687 -9.041 -4.395 1.00 0.00 H new ATOM 559 N ASP A 35 11.900 -7.279 -2.528 1.00 0.00 N ATOM 560 CA ASP A 35 10.967 -7.286 -1.362 1.00 0.00 C ATOM 561 C ASP A 35 9.525 -7.506 -1.832 1.00 0.00 C ATOM 562 O ASP A 35 9.198 -7.294 -2.983 1.00 0.00 O ATOM 563 CB ASP A 35 11.121 -5.902 -0.729 1.00 0.00 C ATOM 564 CG ASP A 35 11.235 -6.044 0.790 1.00 0.00 C ATOM 565 OD1 ASP A 35 12.184 -6.668 1.237 1.00 0.00 O ATOM 566 OD2 ASP A 35 10.373 -5.527 1.480 1.00 0.00 O ATOM 0 H ASP A 35 12.458 -6.432 -2.633 1.00 0.00 H new ATOM 0 HA ASP A 35 11.192 -8.087 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.007 -5.406 -1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.265 -5.277 -0.983 1.00 0.00 H new ATOM 571 N LYS A 36 8.660 -7.930 -0.948 1.00 0.00 N ATOM 572 CA LYS A 36 7.240 -8.164 -1.345 1.00 0.00 C ATOM 573 C LYS A 36 6.291 -7.467 -0.364 1.00 0.00 C ATOM 574 O LYS A 36 6.360 -7.670 0.832 1.00 0.00 O ATOM 575 CB LYS A 36 7.054 -9.679 -1.279 1.00 0.00 C ATOM 576 CG LYS A 36 7.529 -10.310 -2.590 1.00 0.00 C ATOM 577 CD LYS A 36 6.508 -11.352 -3.051 1.00 0.00 C ATOM 578 CE LYS A 36 6.655 -12.619 -2.205 1.00 0.00 C ATOM 579 NZ LYS A 36 7.385 -13.580 -3.079 1.00 0.00 N ATOM 0 H LYS A 36 8.875 -8.124 0.030 1.00 0.00 H new ATOM 0 HA LYS A 36 7.021 -7.767 -2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.617 -10.089 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.005 -9.920 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.651 -9.541 -3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.504 -10.777 -2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.498 -10.954 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.661 -11.586 -4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.209 -12.420 -1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.682 -13.013 -1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.525 -14.476 -2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.831 -13.755 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.310 -13.181 -3.337 1.00 0.00 H new ATOM 593 N VAL A 37 5.407 -6.647 -0.862 1.00 0.00 N ATOM 594 CA VAL A 37 4.453 -5.935 0.041 1.00 0.00 C ATOM 595 C VAL A 37 3.060 -5.864 -0.600 1.00 0.00 C ATOM 596 O VAL A 37 2.927 -5.698 -1.795 1.00 0.00 O ATOM 597 CB VAL A 37 5.049 -4.538 0.209 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.453 -4.655 0.804 1.00 0.00 C ATOM 599 CG2 VAL A 37 5.132 -3.851 -1.156 1.00 0.00 C ATOM 0 H VAL A 37 5.302 -6.438 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 37 4.326 -6.442 0.997 1.00 0.00 H new ATOM 0 HB VAL A 37 4.417 -3.950 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.881 -3.660 0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.397 -5.146 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.083 -5.242 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.557 -2.854 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.765 -4.438 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.133 -3.770 -1.584 1.00 0.00 H new ATOM 609 N SER A 38 2.021 -5.991 0.185 1.00 0.00 N ATOM 610 CA SER A 38 0.640 -5.937 -0.384 1.00 0.00 C ATOM 611 C SER A 38 -0.061 -4.630 0.008 1.00 0.00 C ATOM 612 O SER A 38 0.063 -4.156 1.118 1.00 0.00 O ATOM 613 CB SER A 38 -0.087 -7.131 0.233 1.00 0.00 C ATOM 614 OG SER A 38 0.866 -8.112 0.618 1.00 0.00 O ATOM 0 H SER A 38 2.069 -6.130 1.194 1.00 0.00 H new ATOM 0 HA SER A 38 0.649 -5.973 -1.473 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.667 -6.811 1.099 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.791 -7.553 -0.484 1.00 0.00 H new ATOM 0 HG SER A 38 0.774 -8.901 0.043 1.00 0.00 H new ATOM 620 N PHE A 39 -0.808 -4.053 -0.895 1.00 0.00 N ATOM 621 CA PHE A 39 -1.529 -2.784 -0.575 1.00 0.00 C ATOM 622 C PHE A 39 -2.990 -3.092 -0.240 1.00 0.00 C ATOM 623 O PHE A 39 -3.509 -4.126 -0.605 1.00 0.00 O ATOM 624 CB PHE A 39 -1.439 -1.944 -1.846 1.00 0.00 C ATOM 625 CG PHE A 39 -0.058 -1.346 -1.956 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.971 -2.070 -2.567 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.192 -0.067 -1.445 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.252 -1.516 -2.667 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.473 0.488 -1.546 1.00 0.00 C ATOM 630 CZ PHE A 39 2.504 -0.238 -2.157 1.00 0.00 C ATOM 0 H PHE A 39 -0.951 -4.405 -1.842 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.101 -2.266 0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.650 -2.562 -2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.189 -1.153 -1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.777 -3.056 -2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.603 0.491 -0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.047 -2.075 -3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.667 1.475 -1.153 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.493 0.189 -2.234 1.00 0.00 H new ATOM 640 N PHE A 40 -3.659 -2.216 0.456 1.00 0.00 N ATOM 641 CA PHE A 40 -5.080 -2.492 0.810 1.00 0.00 C ATOM 642 C PHE A 40 -6.038 -1.811 -0.171 1.00 0.00 C ATOM 643 O PHE A 40 -6.000 -0.612 -0.368 1.00 0.00 O ATOM 644 CB PHE A 40 -5.258 -1.921 2.217 1.00 0.00 C ATOM 645 CG PHE A 40 -4.857 -2.965 3.231 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.595 -4.149 3.343 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.745 -2.752 4.056 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.223 -5.120 4.280 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.373 -3.723 4.994 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.113 -4.907 5.106 1.00 0.00 C ATOM 0 H PHE A 40 -3.288 -1.328 0.793 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.304 -3.558 0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.648 -1.026 2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.295 -1.624 2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.452 -4.313 2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.175 -1.839 3.969 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.792 -6.034 4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.516 -3.559 5.631 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.827 -5.656 5.830 1.00 0.00 H new ATOM 660 N CYS A 41 -6.909 -2.574 -0.775 1.00 0.00 N ATOM 661 CA CYS A 41 -7.892 -1.992 -1.733 1.00 0.00 C ATOM 662 C CYS A 41 -9.295 -2.502 -1.387 1.00 0.00 C ATOM 663 O CYS A 41 -9.451 -3.557 -0.805 1.00 0.00 O ATOM 664 CB CYS A 41 -7.448 -2.481 -3.113 1.00 0.00 C ATOM 665 SG CYS A 41 -5.913 -1.640 -3.576 1.00 0.00 S ATOM 0 H CYS A 41 -6.982 -3.583 -0.645 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.927 -0.903 -1.698 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.295 -3.560 -3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.224 -2.279 -3.851 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.528 -2.052 -4.747 1.00 0.00 H new ATOM 670 N LYS A 42 -10.317 -1.761 -1.717 1.00 0.00 N ATOM 671 CA LYS A 42 -11.698 -2.218 -1.377 1.00 0.00 C ATOM 672 C LYS A 42 -12.457 -2.657 -2.634 1.00 0.00 C ATOM 673 O LYS A 42 -12.293 -2.100 -3.700 1.00 0.00 O ATOM 674 CB LYS A 42 -12.374 -1.004 -0.736 1.00 0.00 C ATOM 675 CG LYS A 42 -12.141 0.238 -1.598 1.00 0.00 C ATOM 676 CD LYS A 42 -13.040 1.375 -1.110 1.00 0.00 C ATOM 677 CE LYS A 42 -12.175 2.484 -0.505 1.00 0.00 C ATOM 678 NZ LYS A 42 -12.520 3.707 -1.282 1.00 0.00 N ATOM 0 H LYS A 42 -10.259 -0.866 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.685 -3.080 -0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.443 -1.187 -0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.976 -0.842 0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.095 0.539 -1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.355 0.014 -2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.629 1.769 -1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.745 1.002 -0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.388 2.617 0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.114 2.248 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.967 4.512 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.300 3.553 -2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.534 3.911 -1.177 1.00 0.00 H new ATOM 692 N ASN A 43 -13.295 -3.652 -2.506 1.00 0.00 N ATOM 693 CA ASN A 43 -14.076 -4.135 -3.682 1.00 0.00 C ATOM 694 C ASN A 43 -15.506 -3.592 -3.623 1.00 0.00 C ATOM 695 O ASN A 43 -16.098 -3.491 -2.566 1.00 0.00 O ATOM 696 CB ASN A 43 -14.079 -5.659 -3.558 1.00 0.00 C ATOM 697 CG ASN A 43 -14.466 -6.280 -4.903 1.00 0.00 C ATOM 698 OD1 ASN A 43 -15.625 -6.301 -5.264 1.00 0.00 O ATOM 699 ND2 ASN A 43 -13.535 -6.790 -5.663 1.00 0.00 N ATOM 0 H ASN A 43 -13.472 -4.152 -1.635 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.646 -3.804 -4.627 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.094 -6.012 -3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.782 -5.970 -2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.781 -7.207 -6.561 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.562 -6.772 -5.359 1.00 0.00 H new ATOM 706 N LYS A 44 -16.069 -3.240 -4.747 1.00 0.00 N ATOM 707 CA LYS A 44 -17.462 -2.704 -4.745 1.00 0.00 C ATOM 708 C LYS A 44 -18.474 -3.843 -4.911 1.00 0.00 C ATOM 709 O LYS A 44 -19.631 -3.711 -4.565 1.00 0.00 O ATOM 710 CB LYS A 44 -17.524 -1.750 -5.938 1.00 0.00 C ATOM 711 CG LYS A 44 -18.632 -0.721 -5.707 1.00 0.00 C ATOM 712 CD LYS A 44 -18.012 0.661 -5.494 1.00 0.00 C ATOM 713 CE LYS A 44 -19.042 1.587 -4.840 1.00 0.00 C ATOM 714 NZ LYS A 44 -19.338 2.622 -5.870 1.00 0.00 N ATOM 0 H LYS A 44 -15.627 -3.300 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.706 -2.201 -3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.566 -1.247 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.716 -2.308 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.307 -0.700 -6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.227 -1.002 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.127 0.581 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -17.687 1.077 -6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -19.942 1.040 -4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.646 2.038 -3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -20.037 3.295 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.464 3.131 -6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -19.720 2.164 -6.722 1.00 0.00 H new ATOM 728 N GLU A 45 -18.048 -4.959 -5.437 1.00 0.00 N ATOM 729 CA GLU A 45 -18.992 -6.100 -5.622 1.00 0.00 C ATOM 730 C GLU A 45 -19.064 -6.943 -4.346 1.00 0.00 C ATOM 731 O GLU A 45 -20.133 -7.259 -3.860 1.00 0.00 O ATOM 732 CB GLU A 45 -18.405 -6.920 -6.773 1.00 0.00 C ATOM 733 CG GLU A 45 -19.107 -6.542 -8.078 1.00 0.00 C ATOM 734 CD GLU A 45 -19.044 -7.721 -9.051 1.00 0.00 C ATOM 735 OE1 GLU A 45 -18.081 -7.797 -9.796 1.00 0.00 O ATOM 736 OE2 GLU A 45 -19.961 -8.526 -9.036 1.00 0.00 O ATOM 0 H GLU A 45 -17.091 -5.131 -5.746 1.00 0.00 H new ATOM 0 HA GLU A 45 -20.006 -5.763 -5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.334 -6.735 -6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.530 -7.985 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -20.145 -6.275 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.631 -5.667 -8.519 1.00 0.00 H new ATOM 743 N LYS A 46 -17.937 -7.309 -3.799 1.00 0.00 N ATOM 744 CA LYS A 46 -17.944 -8.133 -2.555 1.00 0.00 C ATOM 745 C LYS A 46 -18.177 -7.243 -1.330 1.00 0.00 C ATOM 746 O LYS A 46 -18.559 -7.712 -0.278 1.00 0.00 O ATOM 747 CB LYS A 46 -16.561 -8.780 -2.502 1.00 0.00 C ATOM 748 CG LYS A 46 -16.307 -9.538 -3.807 1.00 0.00 C ATOM 749 CD LYS A 46 -14.827 -9.908 -3.906 1.00 0.00 C ATOM 750 CE LYS A 46 -14.668 -11.141 -4.797 1.00 0.00 C ATOM 751 NZ LYS A 46 -14.614 -12.292 -3.855 1.00 0.00 N ATOM 0 H LYS A 46 -17.012 -7.074 -4.159 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.740 -8.878 -2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.796 -8.018 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.498 -9.462 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.920 -10.438 -3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.596 -8.923 -4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.259 -9.073 -4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.424 -10.109 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.503 -11.237 -5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.761 -11.080 -5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.505 -13.176 -4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.805 -12.176 -3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.494 -12.329 -3.302 1.00 0.00 H new ATOM 765 N LYS A 47 -17.957 -5.963 -1.468 1.00 0.00 N ATOM 766 CA LYS A 47 -18.172 -5.029 -0.324 1.00 0.00 C ATOM 767 C LYS A 47 -17.138 -5.273 0.780 1.00 0.00 C ATOM 768 O LYS A 47 -17.406 -5.064 1.947 1.00 0.00 O ATOM 769 CB LYS A 47 -19.580 -5.329 0.199 1.00 0.00 C ATOM 770 CG LYS A 47 -20.565 -5.475 -0.969 1.00 0.00 C ATOM 771 CD LYS A 47 -21.671 -6.458 -0.579 1.00 0.00 C ATOM 772 CE LYS A 47 -21.274 -7.873 -1.012 1.00 0.00 C ATOM 773 NZ LYS A 47 -22.564 -8.576 -1.260 1.00 0.00 N ATOM 0 H LYS A 47 -17.636 -5.521 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.066 -3.990 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.568 -6.245 0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.907 -4.527 0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -20.996 -4.506 -1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.043 -5.831 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -21.835 -6.429 0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -22.610 -6.172 -1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.657 -7.852 -1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.694 -8.375 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -22.375 -9.553 -1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -23.128 -8.586 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -23.092 -8.080 -2.006 1.00 0.00 H new ATOM 787 N CYS A 48 -15.958 -5.703 0.428 1.00 0.00 N ATOM 788 CA CYS A 48 -14.917 -5.943 1.476 1.00 0.00 C ATOM 789 C CYS A 48 -13.562 -5.432 0.995 1.00 0.00 C ATOM 790 O CYS A 48 -13.430 -4.915 -0.096 1.00 0.00 O ATOM 791 CB CYS A 48 -14.824 -7.461 1.687 1.00 0.00 C ATOM 792 SG CYS A 48 -16.375 -8.297 1.271 1.00 0.00 S ATOM 0 H CYS A 48 -15.668 -5.898 -0.530 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.182 -5.425 2.398 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.018 -7.864 1.073 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.567 -7.668 2.726 1.00 0.00 H new ATOM 797 N SER A 49 -12.548 -5.590 1.798 1.00 0.00 N ATOM 798 CA SER A 49 -11.195 -5.135 1.385 1.00 0.00 C ATOM 799 C SER A 49 -10.291 -6.343 1.139 1.00 0.00 C ATOM 800 O SER A 49 -10.623 -7.465 1.481 1.00 0.00 O ATOM 801 CB SER A 49 -10.677 -4.308 2.558 1.00 0.00 C ATOM 802 OG SER A 49 -9.688 -5.049 3.263 1.00 0.00 O ATOM 0 H SER A 49 -12.599 -6.015 2.724 1.00 0.00 H new ATOM 0 HA SER A 49 -11.216 -4.557 0.461 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.255 -3.370 2.197 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.499 -4.051 3.226 1.00 0.00 H new ATOM 0 HG SER A 49 -9.711 -4.805 4.212 1.00 0.00 H new ATOM 808 N TYR A 50 -9.151 -6.113 0.555 1.00 0.00 N ATOM 809 CA TYR A 50 -8.199 -7.228 0.280 1.00 0.00 C ATOM 810 C TYR A 50 -6.794 -6.661 0.057 1.00 0.00 C ATOM 811 O TYR A 50 -6.611 -5.466 -0.049 1.00 0.00 O ATOM 812 CB TYR A 50 -8.722 -7.903 -0.990 1.00 0.00 C ATOM 813 CG TYR A 50 -8.979 -6.858 -2.051 1.00 0.00 C ATOM 814 CD1 TYR A 50 -10.212 -6.199 -2.099 1.00 0.00 C ATOM 815 CD2 TYR A 50 -7.985 -6.552 -2.988 1.00 0.00 C ATOM 816 CE1 TYR A 50 -10.452 -5.233 -3.082 1.00 0.00 C ATOM 817 CE2 TYR A 50 -8.225 -5.585 -3.974 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.459 -4.926 -4.019 1.00 0.00 C ATOM 819 OH TYR A 50 -9.697 -3.974 -4.990 1.00 0.00 O ATOM 0 H TYR A 50 -8.833 -5.192 0.253 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.134 -7.935 1.107 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.997 -8.632 -1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.640 -8.448 -0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -10.979 -6.436 -1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.033 -7.061 -2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -11.404 -4.724 -3.118 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.459 -5.349 -4.698 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.904 -3.881 -5.559 1.00 0.00 H new ATOM 829 N THR A 51 -5.798 -7.502 -0.008 1.00 0.00 N ATOM 830 CA THR A 51 -4.412 -6.987 -0.217 1.00 0.00 C ATOM 831 C THR A 51 -3.936 -7.260 -1.645 1.00 0.00 C ATOM 832 O THR A 51 -4.280 -8.255 -2.250 1.00 0.00 O ATOM 833 CB THR A 51 -3.543 -7.750 0.785 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.906 -9.122 0.775 1.00 0.00 O ATOM 835 CG2 THR A 51 -3.749 -7.173 2.186 1.00 0.00 C ATOM 0 H THR A 51 -5.881 -8.515 0.074 1.00 0.00 H new ATOM 0 HA THR A 51 -4.360 -5.908 -0.071 1.00 0.00 H new ATOM 0 HB THR A 51 -2.494 -7.651 0.507 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.349 -9.612 1.415 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.129 -7.718 2.898 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.467 -6.120 2.191 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.797 -7.270 2.469 1.00 0.00 H new ATOM 843 N GLU A 52 -3.130 -6.382 -2.176 1.00 0.00 N ATOM 844 CA GLU A 52 -2.603 -6.579 -3.556 1.00 0.00 C ATOM 845 C GLU A 52 -1.084 -6.750 -3.489 1.00 0.00 C ATOM 846 O GLU A 52 -0.337 -5.797 -3.592 1.00 0.00 O ATOM 847 CB GLU A 52 -2.974 -5.302 -4.311 1.00 0.00 C ATOM 848 CG GLU A 52 -3.714 -5.671 -5.599 1.00 0.00 C ATOM 849 CD GLU A 52 -2.823 -6.569 -6.458 1.00 0.00 C ATOM 850 OE1 GLU A 52 -1.624 -6.345 -6.470 1.00 0.00 O ATOM 851 OE2 GLU A 52 -3.356 -7.469 -7.088 1.00 0.00 O ATOM 0 H GLU A 52 -2.812 -5.532 -1.711 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.012 -7.462 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.602 -4.667 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.076 -4.731 -4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.646 -6.185 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.979 -4.769 -6.150 1.00 0.00 H new ATOM 858 N ASP A 53 -0.625 -7.954 -3.292 1.00 0.00 N ATOM 859 CA ASP A 53 0.843 -8.189 -3.186 1.00 0.00 C ATOM 860 C ASP A 53 1.615 -7.409 -4.250 1.00 0.00 C ATOM 861 O ASP A 53 1.191 -7.273 -5.381 1.00 0.00 O ATOM 862 CB ASP A 53 1.033 -9.688 -3.395 1.00 0.00 C ATOM 863 CG ASP A 53 0.152 -10.460 -2.411 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.991 -10.722 -2.749 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.634 -10.776 -1.335 1.00 0.00 O ATOM 0 H ASP A 53 -1.204 -8.788 -3.199 1.00 0.00 H new ATOM 0 HA ASP A 53 1.222 -7.853 -2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.775 -9.958 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.079 -9.956 -3.249 1.00 0.00 H new ATOM 870 N ALA A 54 2.761 -6.912 -3.882 1.00 0.00 N ATOM 871 CA ALA A 54 3.612 -6.148 -4.837 1.00 0.00 C ATOM 872 C ALA A 54 5.077 -6.543 -4.625 1.00 0.00 C ATOM 873 O ALA A 54 5.430 -7.108 -3.609 1.00 0.00 O ATOM 874 CB ALA A 54 3.389 -4.677 -4.486 1.00 0.00 C ATOM 0 H ALA A 54 3.151 -7.004 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 54 3.365 -6.346 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.985 -4.050 -5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.334 -4.430 -4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.689 -4.500 -3.453 1.00 0.00 H new ATOM 880 N GLN A 55 5.935 -6.265 -5.567 1.00 0.00 N ATOM 881 CA GLN A 55 7.367 -6.647 -5.390 1.00 0.00 C ATOM 882 C GLN A 55 8.284 -5.468 -5.724 1.00 0.00 C ATOM 883 O GLN A 55 7.979 -4.651 -6.570 1.00 0.00 O ATOM 884 CB GLN A 55 7.593 -7.798 -6.372 1.00 0.00 C ATOM 885 CG GLN A 55 8.919 -8.489 -6.049 1.00 0.00 C ATOM 886 CD GLN A 55 8.827 -9.971 -6.417 1.00 0.00 C ATOM 887 OE1 GLN A 55 7.888 -10.392 -7.060 1.00 0.00 O ATOM 888 NE2 GLN A 55 9.772 -10.786 -6.036 1.00 0.00 N ATOM 0 H GLN A 55 5.711 -5.795 -6.444 1.00 0.00 H new ATOM 0 HA GLN A 55 7.590 -6.934 -4.363 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.773 -8.513 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.607 -7.421 -7.395 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.731 -8.016 -6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.149 -8.380 -4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.562 -10.434 -5.495 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.721 -11.775 -6.279 1.00 0.00 H new ATOM 897 N CYS A 56 9.407 -5.380 -5.065 1.00 0.00 N ATOM 898 CA CYS A 56 10.349 -4.258 -5.344 1.00 0.00 C ATOM 899 C CYS A 56 11.393 -4.692 -6.375 1.00 0.00 C ATOM 900 O CYS A 56 11.759 -5.848 -6.454 1.00 0.00 O ATOM 901 CB CYS A 56 11.017 -3.953 -4.004 1.00 0.00 C ATOM 902 SG CYS A 56 12.379 -2.788 -4.261 1.00 0.00 S ATOM 0 H CYS A 56 9.713 -6.036 -4.346 1.00 0.00 H new ATOM 0 HA CYS A 56 9.840 -3.385 -5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.290 -3.531 -3.310 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.391 -4.873 -3.554 1.00 0.00 H new ATOM 907 N ILE A 57 11.871 -3.775 -7.167 1.00 0.00 N ATOM 908 CA ILE A 57 12.888 -4.133 -8.196 1.00 0.00 C ATOM 909 C ILE A 57 13.968 -3.048 -8.266 1.00 0.00 C ATOM 910 O ILE A 57 13.867 -2.018 -7.631 1.00 0.00 O ATOM 911 CB ILE A 57 12.108 -4.209 -9.512 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.252 -5.478 -9.524 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.082 -4.245 -10.691 1.00 0.00 C ATOM 914 CD1 ILE A 57 9.815 -5.130 -9.131 1.00 0.00 C ATOM 0 H ILE A 57 11.602 -2.791 -7.147 1.00 0.00 H new ATOM 0 HA ILE A 57 13.396 -5.071 -7.972 1.00 0.00 H new ATOM 0 HB ILE A 57 11.467 -3.332 -9.600 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.269 -5.931 -10.515 1.00 0.00 H new ATOM 0 HG13 ILE A 57 11.662 -6.212 -8.830 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.522 -4.299 -11.624 1.00 0.00 H new ATOM 0 HG22 ILE A 57 13.693 -3.342 -10.686 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.727 -5.120 -10.604 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.206 -6.034 -9.140 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.806 -4.696 -8.131 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.407 -4.411 -9.842 1.00 0.00 H new ATOM 926 N ASP A 58 15.005 -3.287 -9.024 1.00 0.00 N ATOM 927 CA ASP A 58 16.114 -2.290 -9.145 1.00 0.00 C ATOM 928 C ASP A 58 15.586 -0.850 -9.076 1.00 0.00 C ATOM 929 O ASP A 58 15.234 -0.256 -10.076 1.00 0.00 O ATOM 930 CB ASP A 58 16.739 -2.562 -10.513 1.00 0.00 C ATOM 931 CG ASP A 58 18.224 -2.198 -10.475 1.00 0.00 C ATOM 932 OD1 ASP A 58 18.522 -1.023 -10.336 1.00 0.00 O ATOM 933 OD2 ASP A 58 19.038 -3.099 -10.586 1.00 0.00 O ATOM 0 H ASP A 58 15.134 -4.138 -9.571 1.00 0.00 H new ATOM 0 HA ASP A 58 16.831 -2.389 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.617 -3.612 -10.778 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.230 -1.979 -11.280 1.00 0.00 H new ATOM 938 N GLY A 59 15.552 -0.285 -7.900 1.00 0.00 N ATOM 939 CA GLY A 59 15.075 1.120 -7.744 1.00 0.00 C ATOM 940 C GLY A 59 13.753 1.334 -8.486 1.00 0.00 C ATOM 941 O GLY A 59 13.387 2.449 -8.801 1.00 0.00 O ATOM 0 H GLY A 59 15.837 -0.740 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.944 1.348 -6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.828 1.809 -8.128 1.00 0.00 H new ATOM 945 N THR A 60 13.028 0.288 -8.764 1.00 0.00 N ATOM 946 CA THR A 60 11.729 0.462 -9.479 1.00 0.00 C ATOM 947 C THR A 60 10.672 -0.479 -8.901 1.00 0.00 C ATOM 948 O THR A 60 10.956 -1.603 -8.549 1.00 0.00 O ATOM 949 CB THR A 60 12.017 0.108 -10.936 1.00 0.00 C ATOM 950 OG1 THR A 60 13.110 0.886 -11.404 1.00 0.00 O ATOM 951 CG2 THR A 60 10.779 0.399 -11.784 1.00 0.00 C ATOM 0 H THR A 60 13.274 -0.674 -8.530 1.00 0.00 H new ATOM 0 HA THR A 60 11.343 1.476 -9.377 1.00 0.00 H new ATOM 0 HB THR A 60 12.267 -0.950 -11.013 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.948 0.517 -11.053 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.983 0.147 -12.825 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.942 -0.199 -11.423 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.528 1.457 -11.710 1.00 0.00 H new ATOM 959 N ILE A 61 9.454 -0.030 -8.806 1.00 0.00 N ATOM 960 CA ILE A 61 8.379 -0.905 -8.256 1.00 0.00 C ATOM 961 C ILE A 61 7.028 -0.516 -8.861 1.00 0.00 C ATOM 962 O ILE A 61 6.726 0.647 -9.036 1.00 0.00 O ATOM 963 CB ILE A 61 8.394 -0.666 -6.741 1.00 0.00 C ATOM 964 CG1 ILE A 61 7.061 -1.117 -6.134 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.607 0.822 -6.447 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.329 -2.034 -4.941 1.00 0.00 C ATOM 0 H ILE A 61 9.154 0.904 -9.085 1.00 0.00 H new ATOM 0 HA ILE A 61 8.539 -1.957 -8.492 1.00 0.00 H new ATOM 0 HB ILE A 61 9.209 -1.240 -6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.482 -0.250 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.467 -1.641 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.616 0.982 -5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.559 1.144 -6.870 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.798 1.400 -6.893 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.381 -2.355 -4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.891 -2.907 -5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.906 -1.495 -4.190 1.00 0.00 H new ATOM 978 N GLU A 62 6.217 -1.484 -9.184 1.00 0.00 N ATOM 979 CA GLU A 62 4.887 -1.174 -9.782 1.00 0.00 C ATOM 980 C GLU A 62 3.793 -1.241 -8.715 1.00 0.00 C ATOM 981 O GLU A 62 3.328 -2.303 -8.354 1.00 0.00 O ATOM 982 CB GLU A 62 4.668 -2.254 -10.841 1.00 0.00 C ATOM 983 CG GLU A 62 4.604 -1.604 -12.225 1.00 0.00 C ATOM 984 CD GLU A 62 4.849 -2.664 -13.300 1.00 0.00 C ATOM 985 OE1 GLU A 62 5.927 -3.234 -13.306 1.00 0.00 O ATOM 986 OE2 GLU A 62 3.955 -2.886 -14.100 1.00 0.00 O ATOM 0 H GLU A 62 6.417 -2.477 -9.060 1.00 0.00 H new ATOM 0 HA GLU A 62 4.852 -0.171 -10.207 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.478 -2.982 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.744 -2.795 -10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.630 -1.138 -12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.351 -0.814 -12.302 1.00 0.00 H new ATOM 993 N VAL A 63 3.375 -0.113 -8.210 1.00 0.00 N ATOM 994 CA VAL A 63 2.308 -0.115 -7.171 1.00 0.00 C ATOM 995 C VAL A 63 0.961 -0.487 -7.807 1.00 0.00 C ATOM 996 O VAL A 63 0.677 -0.084 -8.917 1.00 0.00 O ATOM 997 CB VAL A 63 2.271 1.317 -6.642 1.00 0.00 C ATOM 998 CG1 VAL A 63 1.679 2.236 -7.711 1.00 0.00 C ATOM 999 CG2 VAL A 63 1.402 1.374 -5.384 1.00 0.00 C ATOM 0 H VAL A 63 3.726 0.808 -8.472 1.00 0.00 H new ATOM 0 HA VAL A 63 2.500 -0.837 -6.378 1.00 0.00 H new ATOM 0 HB VAL A 63 3.283 1.642 -6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.651 3.259 -7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.296 2.195 -8.609 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.667 1.910 -7.951 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.375 2.396 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.390 1.050 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.821 0.716 -4.622 1.00 0.00 H new ATOM 1009 N PRO A 64 0.170 -1.244 -7.086 1.00 0.00 N ATOM 1010 CA PRO A 64 -1.156 -1.663 -7.599 1.00 0.00 C ATOM 1011 C PRO A 64 -2.037 -0.440 -7.870 1.00 0.00 C ATOM 1012 O PRO A 64 -1.892 0.593 -7.246 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.712 -2.504 -6.448 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.670 -2.541 -5.311 1.00 0.00 C ATOM 1015 CD PRO A 64 0.551 -1.715 -5.735 1.00 0.00 C ATOM 0 HA PRO A 64 -1.111 -2.207 -8.542 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.649 -2.079 -6.088 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.932 -3.515 -6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.098 -2.138 -4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.376 -3.569 -5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.735 -0.885 -5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.460 -2.317 -5.757 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.934 1.377 1.814 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.387 -0.011 1.809 1.00 0.00 C ATOM 1274 C ALA A 80 -8.467 -0.222 3.012 1.00 0.00 C ATOM 1275 O ALA A 80 -8.577 -1.199 3.726 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.594 -0.118 0.508 1.00 0.00 C ATOM 0 HA ALA A 80 -10.173 -0.764 1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.158 -1.114 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.258 0.056 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.799 0.628 0.504 1.00 0.00 H new ATOM 1282 N SER A 81 -7.557 0.683 3.237 1.00 0.00 N ATOM 1283 CA SER A 81 -6.627 0.535 4.392 1.00 0.00 C ATOM 1284 C SER A 81 -7.412 0.496 5.705 1.00 0.00 C ATOM 1285 O SER A 81 -6.889 0.138 6.743 1.00 0.00 O ATOM 1286 CB SER A 81 -5.734 1.773 4.339 1.00 0.00 C ATOM 1287 OG SER A 81 -4.398 1.377 4.059 1.00 0.00 O ATOM 0 H SER A 81 -7.416 1.520 2.671 1.00 0.00 H new ATOM 0 HA SER A 81 -6.050 -0.388 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.090 2.460 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.776 2.307 5.289 1.00 0.00 H new ATOM 0 HG SER A 81 -3.835 2.173 3.960 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.664 0.861 5.670 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.478 0.846 6.919 1.00 0.00 C ATOM 1295 C ASP A 82 -10.723 -0.028 6.738 1.00 0.00 C ATOM 1296 O ASP A 82 -11.730 0.170 7.388 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.873 2.304 7.155 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.630 3.191 7.066 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.844 3.173 7.999 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.484 3.876 6.067 1.00 0.00 O ATOM 0 H ASP A 82 -9.158 1.169 4.832 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.925 0.432 7.763 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.609 2.617 6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.340 2.411 8.134 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.660 -0.997 5.867 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.839 -1.889 5.654 1.00 0.00 C ATOM 1307 C VAL A 83 -11.490 -3.322 6.065 1.00 0.00 C ATOM 1308 O VAL A 83 -10.347 -3.732 6.012 1.00 0.00 O ATOM 1309 CB VAL A 83 -12.138 -1.821 4.156 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.453 -2.546 3.865 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -12.264 -0.358 3.726 1.00 0.00 C ATOM 0 H VAL A 83 -9.845 -1.211 5.293 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.699 -1.581 6.249 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.327 -2.296 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.667 -2.498 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.369 -3.589 4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.262 -2.069 4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.477 -0.310 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -13.075 0.115 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.330 0.164 3.933 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.464 -4.088 6.476 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.180 -5.492 6.892 1.00 0.00 C ATOM 1323 C LYS A 84 -12.116 -6.410 5.661 1.00 0.00 C ATOM 1324 O LYS A 84 -12.823 -6.195 4.697 1.00 0.00 O ATOM 1325 CB LYS A 84 -13.349 -5.884 7.797 1.00 0.00 C ATOM 1326 CG LYS A 84 -14.646 -5.896 6.985 1.00 0.00 C ATOM 1327 CD LYS A 84 -15.304 -7.274 7.094 1.00 0.00 C ATOM 1328 CE LYS A 84 -16.410 -7.230 8.149 1.00 0.00 C ATOM 1329 NZ LYS A 84 -16.667 -8.656 8.495 1.00 0.00 N ATOM 0 H LYS A 84 -13.441 -3.804 6.542 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.222 -5.584 7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.171 -6.868 8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.433 -5.180 8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.325 -5.127 7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.436 -5.663 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.718 -7.568 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.560 -8.024 7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.098 -6.661 9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.308 -6.750 7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.416 -8.709 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.969 -9.171 7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.796 -9.085 8.869 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.268 -7.409 5.732 1.00 0.00 N ATOM 1344 CA PRO A 85 -11.115 -8.365 4.606 1.00 0.00 C ATOM 1345 C PRO A 85 -12.420 -9.134 4.369 1.00 0.00 C ATOM 1346 O PRO A 85 -13.049 -9.603 5.297 1.00 0.00 O ATOM 1347 CB PRO A 85 -10.011 -9.301 5.110 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.574 -8.843 6.515 1.00 0.00 C ATOM 1349 CD PRO A 85 -10.422 -7.634 6.928 1.00 0.00 C ATOM 0 HA PRO A 85 -10.877 -7.887 3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.374 -10.328 5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.162 -9.285 4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.699 -9.654 7.232 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.516 -8.579 6.514 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.021 -7.843 7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.805 -6.765 7.157 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.831 -9.272 3.135 1.00 0.00 N ATOM 1358 CA CYS A 86 -14.097 -10.017 2.854 1.00 0.00 C ATOM 1359 C CYS A 86 -14.113 -11.339 3.627 1.00 0.00 C ATOM 1360 O CYS A 86 -13.457 -12.268 3.183 1.00 0.00 O ATOM 1361 CB CYS A 86 -14.087 -10.282 1.347 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.775 -10.142 0.699 1.00 0.00 S ATOM 1363 OXT CYS A 86 -14.780 -11.399 4.646 1.00 0.00 O ATOM 0 H CYS A 86 -12.350 -8.904 2.314 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.979 -9.454 3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.433 -9.569 0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.689 -11.276 1.144 1.00 0.00 H new