USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 608 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 10 SER OG : rot 65:sc= 1.19 USER MOD Set 1.2: A 40 ASN : amide:sc= 0.349 K(o=1.5,f=-3!) USER MOD Set 2.1: A 28 ASN :FLIP amide:sc= 0.0801 F(o=-0.99,f=1.2) USER MOD Set 2.2: A 81 LYS NZ :NH3+ -153:sc= 1.12 (180deg=-1.09!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -64:sc= 0.0565 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.2!) USER MOD Single : A 46 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.44) USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= 1.26 (180deg=-0.38) USER MOD Single : A 49 MET CE :methyl -179:sc= -0.375 (180deg=-0.395) USER MOD Single : A 51 TYR OH : rot 69:sc= 1.22 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.4!) USER MOD Single : A 72 THR OG1 : rot -26:sc= 1.23 USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= -2.34 (180deg=-2.67!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LYS A 2 3.859 -8.492 6.915 1.00 0.00 N ATOM 32 CA LYS A 2 2.804 -8.418 5.902 1.00 0.00 C ATOM 33 C LYS A 2 3.257 -7.633 4.684 1.00 0.00 C ATOM 34 O LYS A 2 4.246 -6.901 4.759 1.00 0.00 O ATOM 35 CB LYS A 2 1.476 -7.945 6.513 1.00 0.00 C ATOM 36 CG LYS A 2 1.473 -6.453 6.820 1.00 0.00 C ATOM 37 CD LYS A 2 0.179 -6.050 7.534 1.00 0.00 C ATOM 38 CE LYS A 2 0.107 -4.538 7.754 1.00 0.00 C ATOM 39 NZ LYS A 2 -1.104 -4.148 8.504 1.00 0.00 N ATOM 0 HA LYS A 2 2.604 -9.423 5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.662 -8.173 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.283 -8.502 7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.331 -6.203 7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.576 -5.886 5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.679 -6.374 6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.118 -6.562 8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.992 -4.208 8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.116 -4.030 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.116 -3.116 8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.950 -4.441 7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.101 -4.612 9.435 1.00 0.00 H new ATOM 53 N VAL A 3 2.560 -7.792 3.565 1.00 0.00 N ATOM 54 CA VAL A 3 2.781 -6.974 2.379 1.00 0.00 C ATOM 55 C VAL A 3 2.020 -5.659 2.610 1.00 0.00 C ATOM 56 O VAL A 3 0.870 -5.706 3.059 1.00 0.00 O ATOM 57 CB VAL A 3 2.311 -7.743 1.122 1.00 0.00 C ATOM 58 CG1 VAL A 3 2.969 -7.156 -0.130 1.00 0.00 C ATOM 59 CG2 VAL A 3 2.684 -9.239 1.141 1.00 0.00 C ATOM 0 H VAL A 3 1.826 -8.492 3.455 1.00 0.00 H new ATOM 0 HA VAL A 3 3.834 -6.749 2.211 1.00 0.00 H new ATOM 0 HB VAL A 3 1.226 -7.643 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.632 -7.704 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.692 -6.106 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.052 -7.239 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.323 -9.715 0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.767 -9.343 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.225 -9.717 2.006 1.00 0.00 H new ATOM 69 N LYS A 4 2.637 -4.494 2.354 1.00 0.00 N ATOM 70 CA LYS A 4 1.998 -3.192 2.571 1.00 0.00 C ATOM 71 C LYS A 4 2.029 -2.388 1.280 1.00 0.00 C ATOM 72 O LYS A 4 3.104 -2.079 0.762 1.00 0.00 O ATOM 73 CB LYS A 4 2.659 -2.414 3.722 1.00 0.00 C ATOM 74 CG LYS A 4 2.606 -3.126 5.080 1.00 0.00 C ATOM 75 CD LYS A 4 3.905 -3.882 5.396 1.00 0.00 C ATOM 76 CE LYS A 4 4.994 -2.928 5.892 1.00 0.00 C ATOM 77 NZ LYS A 4 6.206 -3.635 6.353 1.00 0.00 N ATOM 0 H LYS A 4 3.589 -4.431 1.992 1.00 0.00 H new ATOM 0 HA LYS A 4 0.962 -3.363 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.701 -2.225 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.172 -1.443 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.415 -2.393 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.770 -3.826 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.712 -4.642 6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.252 -4.402 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.262 -2.241 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.598 -2.325 6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.910 -2.942 6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.959 -4.271 7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.603 -4.191 5.569 1.00 0.00 H new ATOM 91 N ILE A 5 0.857 -2.074 0.748 1.00 0.00 N ATOM 92 CA ILE A 5 0.648 -1.452 -0.545 1.00 0.00 C ATOM 93 C ILE A 5 -0.090 -0.127 -0.311 1.00 0.00 C ATOM 94 O ILE A 5 -0.874 0.002 0.633 1.00 0.00 O ATOM 95 CB ILE A 5 -0.139 -2.455 -1.426 1.00 0.00 C ATOM 96 CG1 ILE A 5 0.640 -3.771 -1.697 1.00 0.00 C ATOM 97 CG2 ILE A 5 -0.636 -1.886 -2.764 1.00 0.00 C ATOM 98 CD1 ILE A 5 0.220 -4.958 -0.825 1.00 0.00 C ATOM 0 H ILE A 5 -0.020 -2.258 1.236 1.00 0.00 H new ATOM 0 HA ILE A 5 1.576 -1.218 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.016 -2.673 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.511 -4.044 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.703 -3.585 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.175 -2.660 -3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.302 -1.044 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.216 -1.550 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.818 -5.831 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.377 -4.711 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.834 -5.178 -0.993 1.00 0.00 H new ATOM 110 N GLU A 6 0.127 0.851 -1.188 1.00 0.00 N ATOM 111 CA GLU A 6 -0.578 2.132 -1.191 1.00 0.00 C ATOM 112 C GLU A 6 -0.866 2.503 -2.640 1.00 0.00 C ATOM 113 O GLU A 6 0.002 2.326 -3.495 1.00 0.00 O ATOM 114 CB GLU A 6 0.283 3.232 -0.548 1.00 0.00 C ATOM 115 CG GLU A 6 0.403 3.092 0.973 1.00 0.00 C ATOM 116 CD GLU A 6 1.412 4.066 1.581 1.00 0.00 C ATOM 117 OE1 GLU A 6 1.332 5.294 1.362 1.00 0.00 O ATOM 118 OE2 GLU A 6 2.319 3.596 2.307 1.00 0.00 O ATOM 0 H GLU A 6 0.816 0.773 -1.936 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.500 2.042 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.280 3.208 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.147 4.205 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.574 3.258 1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.698 2.071 1.217 1.00 0.00 H new ATOM 125 N LEU A 7 -2.057 3.032 -2.920 1.00 0.00 N ATOM 126 CA LEU A 7 -2.468 3.561 -4.217 1.00 0.00 C ATOM 127 C LEU A 7 -2.676 5.065 -4.030 1.00 0.00 C ATOM 128 O LEU A 7 -3.818 5.520 -3.893 1.00 0.00 O ATOM 129 CB LEU A 7 -3.766 2.880 -4.708 1.00 0.00 C ATOM 130 CG LEU A 7 -3.710 1.453 -5.277 1.00 0.00 C ATOM 131 CD1 LEU A 7 -2.964 1.363 -6.606 1.00 0.00 C ATOM 132 CD2 LEU A 7 -3.163 0.412 -4.301 1.00 0.00 C ATOM 0 H LEU A 7 -2.793 3.106 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.709 3.364 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.465 2.870 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.199 3.520 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.757 1.210 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.961 0.330 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.460 1.992 -7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.937 1.703 -6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.157 -0.567 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.147 0.682 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.795 0.378 -3.413 1.00 0.00 H new ATOM 144 N PHE A 8 -1.584 5.833 -3.997 1.00 0.00 N ATOM 145 CA PHE A 8 -1.611 7.289 -3.922 1.00 0.00 C ATOM 146 C PHE A 8 -1.874 7.823 -5.328 1.00 0.00 C ATOM 147 O PHE A 8 -0.972 8.004 -6.152 1.00 0.00 O ATOM 148 CB PHE A 8 -0.327 7.808 -3.263 1.00 0.00 C ATOM 149 CG PHE A 8 -0.352 9.277 -2.899 1.00 0.00 C ATOM 150 CD1 PHE A 8 -0.072 10.256 -3.871 1.00 0.00 C ATOM 151 CD2 PHE A 8 -0.578 9.663 -1.565 1.00 0.00 C ATOM 152 CE1 PHE A 8 -0.022 11.613 -3.515 1.00 0.00 C ATOM 153 CE2 PHE A 8 -0.514 11.021 -1.207 1.00 0.00 C ATOM 154 CZ PHE A 8 -0.236 11.999 -2.181 1.00 0.00 C ATOM 0 H PHE A 8 -0.639 5.449 -4.022 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.415 7.654 -3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.138 7.227 -2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.510 7.629 -3.938 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.105 9.962 -4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.800 8.917 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.181 12.361 -4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.679 11.315 -0.181 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.187 13.042 -1.904 1.00 0.00 H new ATOM 164 N THR A 9 -3.155 7.954 -5.646 1.00 0.00 N ATOM 165 CA THR A 9 -3.648 8.176 -6.995 1.00 0.00 C ATOM 166 C THR A 9 -4.823 9.159 -6.905 1.00 0.00 C ATOM 167 O THR A 9 -4.808 10.018 -6.030 1.00 0.00 O ATOM 168 CB THR A 9 -3.945 6.812 -7.656 1.00 0.00 C ATOM 169 OG1 THR A 9 -4.885 6.073 -6.907 1.00 0.00 O ATOM 170 CG2 THR A 9 -2.715 5.917 -7.813 1.00 0.00 C ATOM 0 H THR A 9 -3.900 7.907 -4.951 1.00 0.00 H new ATOM 0 HA THR A 9 -2.917 8.643 -7.655 1.00 0.00 H new ATOM 0 HB THR A 9 -4.326 7.073 -8.643 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.504 5.851 -6.032 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.006 4.978 -8.285 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.975 6.421 -8.434 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.286 5.713 -6.832 1.00 0.00 H new ATOM 178 N SER A 10 -5.811 9.072 -7.801 1.00 0.00 N ATOM 179 CA SER A 10 -7.014 9.896 -7.924 1.00 0.00 C ATOM 180 C SER A 10 -7.555 9.739 -9.351 1.00 0.00 C ATOM 181 O SER A 10 -8.623 9.142 -9.498 1.00 0.00 O ATOM 182 CB SER A 10 -6.824 11.364 -7.484 1.00 0.00 C ATOM 183 OG SER A 10 -7.959 12.143 -7.779 1.00 0.00 O ATOM 0 H SER A 10 -5.785 8.355 -8.526 1.00 0.00 H new ATOM 0 HA SER A 10 -7.761 9.536 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.625 11.401 -6.413 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.952 11.785 -7.985 1.00 0.00 H new ATOM 0 HG SER A 10 -8.720 11.827 -7.248 1.00 0.00 H new ATOM 274 N PRO A 17 -10.496 0.145 -11.123 1.00 0.00 N ATOM 275 CA PRO A 17 -10.549 -0.412 -9.764 1.00 0.00 C ATOM 276 C PRO A 17 -9.318 -0.225 -8.865 1.00 0.00 C ATOM 277 O PRO A 17 -9.489 -0.267 -7.646 1.00 0.00 O ATOM 278 CB PRO A 17 -10.885 -1.904 -9.919 1.00 0.00 C ATOM 279 CG PRO A 17 -10.620 -2.212 -11.388 1.00 0.00 C ATOM 280 CD PRO A 17 -10.936 -0.884 -12.059 1.00 0.00 C ATOM 0 HA PRO A 17 -11.304 0.161 -9.227 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.264 -2.519 -9.268 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -11.923 -2.105 -9.653 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.588 -2.519 -11.560 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -11.257 -3.016 -11.757 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.416 -0.794 -13.013 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.002 -0.794 -12.267 1.00 0.00 H new ATOM 288 N ALA A 18 -8.121 0.005 -9.424 1.00 0.00 N ATOM 289 CA ALA A 18 -6.872 0.318 -8.726 1.00 0.00 C ATOM 290 C ALA A 18 -6.649 -0.576 -7.502 1.00 0.00 C ATOM 291 O ALA A 18 -6.223 -1.722 -7.654 1.00 0.00 O ATOM 292 CB ALA A 18 -6.823 1.819 -8.387 1.00 0.00 C ATOM 0 H ALA A 18 -7.995 -0.025 -10.436 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.040 0.099 -9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.891 2.045 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.876 2.402 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.667 2.075 -7.746 1.00 0.00 H new ATOM 298 N ALA A 19 -6.944 -0.073 -6.300 1.00 0.00 N ATOM 299 CA ALA A 19 -6.706 -0.784 -5.058 1.00 0.00 C ATOM 300 C ALA A 19 -7.413 -2.135 -5.042 1.00 0.00 C ATOM 301 O ALA A 19 -6.801 -3.093 -4.587 1.00 0.00 O ATOM 302 CB ALA A 19 -7.114 0.083 -3.869 1.00 0.00 C ATOM 0 H ALA A 19 -7.359 0.850 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.638 -0.989 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.931 -0.461 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.529 1.003 -3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.174 0.327 -3.943 1.00 0.00 H new ATOM 308 N LYS A 20 -8.630 -2.271 -5.587 1.00 0.00 N ATOM 309 CA LYS A 20 -9.282 -3.584 -5.616 1.00 0.00 C ATOM 310 C LYS A 20 -8.463 -4.596 -6.416 1.00 0.00 C ATOM 311 O LYS A 20 -8.395 -5.755 -6.004 1.00 0.00 O ATOM 312 CB LYS A 20 -10.711 -3.532 -6.167 1.00 0.00 C ATOM 313 CG LYS A 20 -11.641 -2.568 -5.428 1.00 0.00 C ATOM 314 CD LYS A 20 -13.116 -2.892 -5.694 1.00 0.00 C ATOM 315 CE LYS A 20 -14.073 -1.768 -5.285 1.00 0.00 C ATOM 316 NZ LYS A 20 -14.117 -0.672 -6.277 1.00 0.00 N ATOM 0 H LYS A 20 -9.169 -1.511 -6.002 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.340 -3.906 -4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.672 -3.245 -7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.139 -4.533 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.444 -2.620 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.430 -1.546 -5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.248 -3.102 -6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.383 -3.800 -5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.075 -2.177 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.766 -1.367 -4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.778 0.063 -5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.168 -0.261 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.436 -1.046 -7.193 1.00 0.00 H new ATOM 330 N ARG A 21 -7.818 -4.180 -7.517 1.00 0.00 N ATOM 331 CA ARG A 21 -6.908 -5.069 -8.230 1.00 0.00 C ATOM 332 C ARG A 21 -5.701 -5.383 -7.386 1.00 0.00 C ATOM 333 O ARG A 21 -5.375 -6.554 -7.283 1.00 0.00 O ATOM 334 CB ARG A 21 -6.446 -4.552 -9.601 1.00 0.00 C ATOM 335 CG ARG A 21 -7.430 -4.964 -10.700 1.00 0.00 C ATOM 336 CD ARG A 21 -6.778 -4.925 -12.088 1.00 0.00 C ATOM 337 NE ARG A 21 -7.397 -5.927 -12.966 1.00 0.00 N ATOM 338 CZ ARG A 21 -7.150 -7.246 -12.933 1.00 0.00 C ATOM 339 NH1 ARG A 21 -5.999 -7.736 -12.472 1.00 0.00 N ATOM 340 NH2 ARG A 21 -8.095 -8.072 -13.369 1.00 0.00 N ATOM 0 H ARG A 21 -7.911 -3.249 -7.922 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.492 -5.969 -8.422 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.359 -3.466 -9.574 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.455 -4.946 -9.828 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.800 -5.970 -10.499 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.293 -4.298 -10.684 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.889 -3.932 -12.522 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.709 -5.117 -12.001 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.069 -5.593 -13.657 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.275 -7.103 -12.131 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.842 -8.744 -12.460 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.978 -7.698 -13.716 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.937 -9.080 -13.357 1.00 0.00 H new ATOM 354 N VAL A 22 -4.999 -4.391 -6.836 1.00 0.00 N ATOM 355 CA VAL A 22 -3.757 -4.719 -6.139 1.00 0.00 C ATOM 356 C VAL A 22 -4.058 -5.574 -4.886 1.00 0.00 C ATOM 357 O VAL A 22 -3.280 -6.482 -4.591 1.00 0.00 O ATOM 358 CB VAL A 22 -2.876 -3.472 -5.900 1.00 0.00 C ATOM 359 CG1 VAL A 22 -1.455 -3.915 -5.521 1.00 0.00 C ATOM 360 CG2 VAL A 22 -2.746 -2.574 -7.153 1.00 0.00 C ATOM 0 H VAL A 22 -5.252 -3.403 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.135 -5.346 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.361 -2.903 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.833 -3.036 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.491 -4.514 -4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.031 -4.510 -6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.116 -1.715 -6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.297 -3.145 -7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.734 -2.228 -7.456 1.00 0.00 H new ATOM 370 N VAL A 23 -5.213 -5.379 -4.226 1.00 0.00 N ATOM 371 CA VAL A 23 -5.751 -6.313 -3.238 1.00 0.00 C ATOM 372 C VAL A 23 -5.850 -7.691 -3.871 1.00 0.00 C ATOM 373 O VAL A 23 -5.182 -8.586 -3.386 1.00 0.00 O ATOM 374 CB VAL A 23 -7.111 -5.859 -2.654 1.00 0.00 C ATOM 375 CG1 VAL A 23 -7.756 -6.954 -1.789 1.00 0.00 C ATOM 376 CG2 VAL A 23 -7.003 -4.627 -1.750 1.00 0.00 C ATOM 0 H VAL A 23 -5.801 -4.558 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.068 -6.343 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.712 -5.631 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.708 -6.595 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.925 -7.844 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.093 -7.200 -0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.992 -4.363 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.344 -4.848 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.596 -3.792 -2.320 1.00 0.00 H new ATOM 386 N GLU A 24 -6.671 -7.889 -4.904 1.00 0.00 N ATOM 387 CA GLU A 24 -6.968 -9.215 -5.442 1.00 0.00 C ATOM 388 C GLU A 24 -5.687 -9.919 -5.912 1.00 0.00 C ATOM 389 O GLU A 24 -5.520 -11.120 -5.695 1.00 0.00 O ATOM 390 CB GLU A 24 -7.997 -9.060 -6.571 1.00 0.00 C ATOM 391 CG GLU A 24 -8.608 -10.388 -7.040 1.00 0.00 C ATOM 392 CD GLU A 24 -9.531 -10.177 -8.240 1.00 0.00 C ATOM 393 OE1 GLU A 24 -10.551 -9.454 -8.142 1.00 0.00 O ATOM 394 OE2 GLU A 24 -9.171 -10.617 -9.357 1.00 0.00 O ATOM 0 H GLU A 24 -7.149 -7.131 -5.391 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.392 -9.850 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.797 -8.402 -6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.520 -8.571 -7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.812 -11.083 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.168 -10.843 -6.223 1.00 0.00 H new ATOM 401 N GLU A 25 -4.770 -9.162 -6.513 1.00 0.00 N ATOM 402 CA GLU A 25 -3.490 -9.622 -7.017 1.00 0.00 C ATOM 403 C GLU A 25 -2.649 -10.195 -5.875 1.00 0.00 C ATOM 404 O GLU A 25 -2.183 -11.331 -5.973 1.00 0.00 O ATOM 405 CB GLU A 25 -2.763 -8.454 -7.710 1.00 0.00 C ATOM 406 CG GLU A 25 -1.588 -8.958 -8.556 1.00 0.00 C ATOM 407 CD GLU A 25 -2.067 -9.238 -9.989 1.00 0.00 C ATOM 408 OE1 GLU A 25 -2.810 -10.223 -10.202 1.00 0.00 O ATOM 409 OE2 GLU A 25 -1.781 -8.453 -10.918 1.00 0.00 O ATOM 0 H GLU A 25 -4.913 -8.164 -6.666 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.648 -10.416 -7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.464 -7.910 -8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.400 -7.752 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.790 -8.216 -8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.173 -9.865 -8.117 1.00 0.00 H new ATOM 416 N VAL A 26 -2.446 -9.422 -4.801 1.00 0.00 N ATOM 417 CA VAL A 26 -1.658 -9.876 -3.659 1.00 0.00 C ATOM 418 C VAL A 26 -2.435 -10.945 -2.890 1.00 0.00 C ATOM 419 O VAL A 26 -1.837 -11.923 -2.452 1.00 0.00 O ATOM 420 CB VAL A 26 -1.279 -8.676 -2.767 1.00 0.00 C ATOM 421 CG1 VAL A 26 -0.499 -9.088 -1.506 1.00 0.00 C ATOM 422 CG2 VAL A 26 -0.395 -7.688 -3.538 1.00 0.00 C ATOM 0 H VAL A 26 -2.819 -8.478 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.728 -10.328 -4.005 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.225 -8.223 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.261 -8.201 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.107 -9.766 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.424 -9.589 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.138 -6.849 -2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.517 -8.190 -3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.935 -7.322 -4.411 1.00 0.00 H new ATOM 432 N ALA A 27 -3.750 -10.790 -2.737 1.00 0.00 N ATOM 433 CA ALA A 27 -4.624 -11.675 -1.983 1.00 0.00 C ATOM 434 C ALA A 27 -4.692 -13.066 -2.602 1.00 0.00 C ATOM 435 O ALA A 27 -4.924 -14.034 -1.883 1.00 0.00 O ATOM 436 CB ALA A 27 -6.024 -11.069 -1.865 1.00 0.00 C ATOM 0 H ALA A 27 -4.253 -10.008 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.201 -11.783 -0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.666 -11.743 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.963 -10.109 -1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.442 -10.922 -2.861 1.00 0.00 H new ATOM 442 N ASN A 28 -4.445 -13.171 -3.909 1.00 0.00 N ATOM 443 CA ASN A 28 -4.256 -14.440 -4.602 1.00 0.00 C ATOM 444 C ASN A 28 -3.176 -15.273 -3.890 1.00 0.00 C ATOM 445 O ASN A 28 -3.305 -16.487 -3.713 1.00 0.00 O ATOM 446 CB ASN A 28 -3.860 -14.150 -6.063 1.00 0.00 C ATOM 447 CG ASN A 28 -4.124 -15.314 -7.005 1.00 0.00 C ATOM 448 OD1 ASN A 28 -4.328 -15.044 -8.289 1.00 0.00 O flip ATOM 449 ND2 ASN A 28 -4.172 -16.474 -6.611 1.00 0.00 N flip ATOM 0 H ASN A 28 -4.370 -12.360 -4.523 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.181 -15.017 -4.591 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.410 -13.277 -6.414 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.801 -13.896 -6.100 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.016 -16.685 -5.625 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.368 -17.228 -7.269 1.00 0.00 H new ATOM 456 N GLU A 29 -2.113 -14.603 -3.438 1.00 0.00 N ATOM 457 CA GLU A 29 -0.970 -15.207 -2.775 1.00 0.00 C ATOM 458 C GLU A 29 -1.133 -15.194 -1.253 1.00 0.00 C ATOM 459 O GLU A 29 -0.885 -16.211 -0.603 1.00 0.00 O ATOM 460 CB GLU A 29 0.312 -14.452 -3.133 1.00 0.00 C ATOM 461 CG GLU A 29 0.470 -14.075 -4.611 1.00 0.00 C ATOM 462 CD GLU A 29 0.307 -15.245 -5.578 1.00 0.00 C ATOM 463 OE1 GLU A 29 0.899 -16.323 -5.325 1.00 0.00 O ATOM 464 OE2 GLU A 29 -0.395 -15.089 -6.609 1.00 0.00 O ATOM 0 H GLU A 29 -2.028 -13.591 -3.530 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.908 -16.240 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.353 -13.540 -2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.166 -15.063 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.264 -13.309 -4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.455 -13.632 -4.758 1.00 0.00 H new ATOM 471 N MET A 30 -1.528 -14.056 -0.679 1.00 0.00 N ATOM 472 CA MET A 30 -1.665 -13.822 0.748 1.00 0.00 C ATOM 473 C MET A 30 -3.029 -13.185 0.995 1.00 0.00 C ATOM 474 O MET A 30 -3.123 -11.962 1.045 1.00 0.00 O ATOM 475 CB MET A 30 -0.502 -12.951 1.293 1.00 0.00 C ATOM 476 CG MET A 30 0.239 -13.743 2.368 1.00 0.00 C ATOM 477 SD MET A 30 -0.792 -14.147 3.807 1.00 0.00 S ATOM 478 CE MET A 30 0.435 -15.030 4.800 1.00 0.00 C ATOM 0 H MET A 30 -1.772 -13.234 -1.231 1.00 0.00 H new ATOM 0 HA MET A 30 -1.607 -14.766 1.290 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.179 -12.681 0.486 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.889 -12.020 1.708 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.618 -14.667 1.931 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.104 -13.169 2.700 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.021 -15.359 5.734 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.795 -15.898 4.247 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.272 -14.367 5.019 1.00 0.00 H new ATOM 488 N PRO A 31 -4.110 -13.956 1.179 1.00 0.00 N ATOM 489 CA PRO A 31 -5.458 -13.409 1.343 1.00 0.00 C ATOM 490 C PRO A 31 -5.660 -12.713 2.700 1.00 0.00 C ATOM 491 O PRO A 31 -6.801 -12.470 3.095 1.00 0.00 O ATOM 492 CB PRO A 31 -6.384 -14.617 1.153 1.00 0.00 C ATOM 493 CG PRO A 31 -5.547 -15.773 1.683 1.00 0.00 C ATOM 494 CD PRO A 31 -4.137 -15.411 1.220 1.00 0.00 C ATOM 0 HA PRO A 31 -5.665 -12.618 0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.315 -14.504 1.709 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.653 -14.759 0.106 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.608 -15.852 2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.874 -16.729 1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.385 -15.799 1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.923 -15.837 0.240 1.00 0.00 H new ATOM 502 N ASP A 32 -4.588 -12.441 3.444 1.00 0.00 N ATOM 503 CA ASP A 32 -4.572 -12.119 4.866 1.00 0.00 C ATOM 504 C ASP A 32 -3.514 -11.054 5.149 1.00 0.00 C ATOM 505 O ASP A 32 -3.834 -10.002 5.694 1.00 0.00 O ATOM 506 CB ASP A 32 -4.294 -13.394 5.676 1.00 0.00 C ATOM 507 CG ASP A 32 -3.778 -13.054 7.074 1.00 0.00 C ATOM 508 OD1 ASP A 32 -4.526 -12.439 7.862 1.00 0.00 O ATOM 509 OD2 ASP A 32 -2.594 -13.352 7.355 1.00 0.00 O ATOM 0 H ASP A 32 -3.650 -12.440 3.042 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.543 -11.721 5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.207 -13.985 5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.561 -14.008 5.153 1.00 0.00 H new ATOM 514 N ALA A 33 -2.257 -11.288 4.762 1.00 0.00 N ATOM 515 CA ALA A 33 -1.162 -10.356 5.013 1.00 0.00 C ATOM 516 C ALA A 33 -1.104 -9.269 3.927 1.00 0.00 C ATOM 517 O ALA A 33 -0.039 -9.021 3.360 1.00 0.00 O ATOM 518 CB ALA A 33 0.146 -11.146 5.124 1.00 0.00 C ATOM 0 H ALA A 33 -1.973 -12.132 4.265 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.327 -9.833 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.971 -10.459 5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.072 -11.858 5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.326 -11.684 4.193 1.00 0.00 H new ATOM 524 N VAL A 34 -2.241 -8.648 3.614 1.00 0.00 N ATOM 525 CA VAL A 34 -2.440 -7.842 2.417 1.00 0.00 C ATOM 526 C VAL A 34 -3.030 -6.486 2.823 1.00 0.00 C ATOM 527 O VAL A 34 -4.247 -6.276 2.835 1.00 0.00 O ATOM 528 CB VAL A 34 -3.215 -8.683 1.373 1.00 0.00 C ATOM 529 CG1 VAL A 34 -4.576 -9.235 1.841 1.00 0.00 C ATOM 530 CG2 VAL A 34 -3.439 -7.906 0.069 1.00 0.00 C ATOM 0 H VAL A 34 -3.071 -8.695 4.205 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.513 -7.579 1.907 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.560 -9.540 1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.033 -9.808 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.428 -9.881 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.230 -8.407 2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.986 -8.531 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.015 -7.004 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.476 -7.631 -0.360 1.00 0.00 H new ATOM 540 N GLU A 35 -2.159 -5.561 3.226 1.00 0.00 N ATOM 541 CA GLU A 35 -2.539 -4.188 3.533 1.00 0.00 C ATOM 542 C GLU A 35 -2.452 -3.397 2.222 1.00 0.00 C ATOM 543 O GLU A 35 -1.440 -3.491 1.532 1.00 0.00 O ATOM 544 CB GLU A 35 -1.609 -3.641 4.630 1.00 0.00 C ATOM 545 CG GLU A 35 -2.324 -2.675 5.580 1.00 0.00 C ATOM 546 CD GLU A 35 -2.922 -1.481 4.848 1.00 0.00 C ATOM 547 OE1 GLU A 35 -4.066 -1.610 4.358 1.00 0.00 O ATOM 548 OE2 GLU A 35 -2.228 -0.441 4.770 1.00 0.00 O ATOM 0 H GLU A 35 -1.164 -5.748 3.348 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.554 -4.110 3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.201 -4.473 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.766 -3.130 4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.115 -3.207 6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.620 -2.321 6.333 1.00 0.00 H new ATOM 555 N VAL A 36 -3.500 -2.660 1.850 1.00 0.00 N ATOM 556 CA VAL A 36 -3.614 -1.918 0.599 1.00 0.00 C ATOM 557 C VAL A 36 -4.430 -0.661 0.896 1.00 0.00 C ATOM 558 O VAL A 36 -5.660 -0.740 0.909 1.00 0.00 O ATOM 559 CB VAL A 36 -4.296 -2.763 -0.508 1.00 0.00 C ATOM 560 CG1 VAL A 36 -4.281 -1.995 -1.843 1.00 0.00 C ATOM 561 CG2 VAL A 36 -3.667 -4.144 -0.730 1.00 0.00 C ATOM 0 H VAL A 36 -4.326 -2.562 2.440 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.623 -1.663 0.225 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.314 -2.932 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.762 -2.597 -2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.820 -1.054 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.251 -1.790 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.206 -4.666 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.623 -4.026 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.725 -4.723 0.192 1.00 0.00 H new ATOM 571 N GLU A 37 -3.804 0.493 1.136 1.00 0.00 N ATOM 572 CA GLU A 37 -4.584 1.723 1.214 1.00 0.00 C ATOM 573 C GLU A 37 -4.896 2.226 -0.187 1.00 0.00 C ATOM 574 O GLU A 37 -4.059 2.151 -1.092 1.00 0.00 O ATOM 575 CB GLU A 37 -3.871 2.817 2.022 1.00 0.00 C ATOM 576 CG GLU A 37 -4.043 2.626 3.534 1.00 0.00 C ATOM 577 CD GLU A 37 -5.509 2.544 3.993 1.00 0.00 C ATOM 578 OE1 GLU A 37 -6.402 3.105 3.308 1.00 0.00 O ATOM 579 OE2 GLU A 37 -5.772 1.859 5.006 1.00 0.00 O ATOM 0 H GLU A 37 -2.799 0.599 1.274 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.511 1.490 1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.809 2.814 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.263 3.793 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.527 1.714 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.557 3.453 4.052 1.00 0.00 H new ATOM 586 N TYR A 38 -6.088 2.795 -0.344 1.00 0.00 N ATOM 587 CA TYR A 38 -6.475 3.569 -1.508 1.00 0.00 C ATOM 588 C TYR A 38 -6.577 5.000 -1.022 1.00 0.00 C ATOM 589 O TYR A 38 -7.403 5.278 -0.148 1.00 0.00 O ATOM 590 CB TYR A 38 -7.811 3.063 -2.074 1.00 0.00 C ATOM 591 CG TYR A 38 -8.214 3.528 -3.470 1.00 0.00 C ATOM 592 CD1 TYR A 38 -7.311 4.124 -4.380 1.00 0.00 C ATOM 593 CD2 TYR A 38 -9.543 3.311 -3.877 1.00 0.00 C ATOM 594 CE1 TYR A 38 -7.724 4.437 -5.688 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.961 3.628 -5.180 1.00 0.00 C ATOM 596 CZ TYR A 38 -9.045 4.171 -6.106 1.00 0.00 C ATOM 597 OH TYR A 38 -9.407 4.419 -7.396 1.00 0.00 O ATOM 0 H TYR A 38 -6.827 2.726 0.356 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.754 3.481 -2.321 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.781 1.973 -2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.601 3.357 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.299 4.340 -4.070 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -10.252 2.895 -3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.024 4.885 -6.378 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.986 3.456 -5.474 1.00 0.00 H new ATOM 0 HH TYR A 38 -10.349 4.181 -7.523 1.00 0.00 H new ATOM 607 N ILE A 39 -5.727 5.890 -1.528 1.00 0.00 N ATOM 608 CA ILE A 39 -5.748 7.289 -1.150 1.00 0.00 C ATOM 609 C ILE A 39 -5.772 8.107 -2.437 1.00 0.00 C ATOM 610 O ILE A 39 -4.743 8.486 -3.001 1.00 0.00 O ATOM 611 CB ILE A 39 -4.683 7.658 -0.084 1.00 0.00 C ATOM 612 CG1 ILE A 39 -3.207 7.285 -0.360 1.00 0.00 C ATOM 613 CG2 ILE A 39 -5.105 7.122 1.296 1.00 0.00 C ATOM 614 CD1 ILE A 39 -2.795 5.802 -0.323 1.00 0.00 C ATOM 0 H ILE A 39 -5.007 5.656 -2.211 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.653 7.542 -0.598 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.674 8.747 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.947 7.675 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.592 7.816 0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.350 7.387 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.061 7.561 1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.203 6.037 1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.730 5.715 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.001 5.392 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.362 5.248 -1.071 1.00 0.00 H new ATOM 626 N ASN A 40 -6.993 8.317 -2.931 1.00 0.00 N ATOM 627 CA ASN A 40 -7.313 9.393 -3.854 1.00 0.00 C ATOM 628 C ASN A 40 -6.861 10.700 -3.199 1.00 0.00 C ATOM 629 O ASN A 40 -7.246 10.974 -2.062 1.00 0.00 O ATOM 630 CB ASN A 40 -8.824 9.390 -4.145 1.00 0.00 C ATOM 631 CG ASN A 40 -9.311 10.722 -4.707 1.00 0.00 C ATOM 632 OD1 ASN A 40 -9.453 10.881 -5.915 1.00 0.00 O ATOM 633 ND2 ASN A 40 -9.552 11.705 -3.859 1.00 0.00 N ATOM 0 H ASN A 40 -7.795 7.733 -2.694 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.803 9.271 -4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.053 8.594 -4.854 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.368 9.166 -3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.861 12.613 -4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.429 11.556 -2.857 1.00 0.00 H new ATOM 640 N VAL A 41 -6.063 11.486 -3.917 1.00 0.00 N ATOM 641 CA VAL A 41 -5.432 12.709 -3.448 1.00 0.00 C ATOM 642 C VAL A 41 -6.442 13.666 -2.793 1.00 0.00 C ATOM 643 O VAL A 41 -7.578 13.810 -3.252 1.00 0.00 O ATOM 644 CB VAL A 41 -4.642 13.331 -4.626 1.00 0.00 C ATOM 645 CG1 VAL A 41 -5.478 14.212 -5.568 1.00 0.00 C ATOM 646 CG2 VAL A 41 -3.442 14.131 -4.108 1.00 0.00 C ATOM 0 H VAL A 41 -5.830 11.274 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.725 12.487 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.310 12.481 -5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.841 14.603 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.279 13.617 -6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.907 15.041 -5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.900 14.560 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.792 14.931 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.779 13.471 -3.548 1.00 0.00 H new ATOM 656 N MET A 42 -5.997 14.351 -1.739 1.00 0.00 N ATOM 657 CA MET A 42 -6.740 15.401 -1.059 1.00 0.00 C ATOM 658 C MET A 42 -5.723 16.469 -0.668 1.00 0.00 C ATOM 659 O MET A 42 -5.513 17.411 -1.421 1.00 0.00 O ATOM 660 CB MET A 42 -7.531 14.802 0.120 1.00 0.00 C ATOM 661 CG MET A 42 -8.253 15.866 0.956 1.00 0.00 C ATOM 662 SD MET A 42 -9.213 15.169 2.326 1.00 0.00 S ATOM 663 CE MET A 42 -9.077 16.523 3.526 1.00 0.00 C ATOM 0 H MET A 42 -5.080 14.181 -1.326 1.00 0.00 H new ATOM 0 HA MET A 42 -7.496 15.868 -1.690 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.262 14.091 -0.264 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.850 14.244 0.762 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.518 16.565 1.355 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.918 16.437 0.309 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.616 16.258 4.436 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.027 16.695 3.763 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.506 17.430 3.101 1.00 0.00 H new ATOM 673 N GLU A 43 -5.016 16.282 0.448 1.00 0.00 N ATOM 674 CA GLU A 43 -4.062 17.251 0.999 1.00 0.00 C ATOM 675 C GLU A 43 -2.751 17.312 0.196 1.00 0.00 C ATOM 676 O GLU A 43 -1.865 18.094 0.525 1.00 0.00 O ATOM 677 CB GLU A 43 -3.755 16.868 2.458 1.00 0.00 C ATOM 678 CG GLU A 43 -5.002 16.755 3.349 1.00 0.00 C ATOM 679 CD GLU A 43 -4.638 16.257 4.750 1.00 0.00 C ATOM 680 OE1 GLU A 43 -4.064 15.146 4.822 1.00 0.00 O ATOM 681 OE2 GLU A 43 -4.952 16.982 5.718 1.00 0.00 O ATOM 0 H GLU A 43 -5.091 15.433 1.008 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.518 18.239 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.225 15.915 2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.082 17.612 2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.490 17.727 3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.718 16.072 2.892 1.00 0.00 H new ATOM 688 N ASN A 44 -2.614 16.466 -0.834 1.00 0.00 N ATOM 689 CA ASN A 44 -1.394 16.174 -1.590 1.00 0.00 C ATOM 690 C ASN A 44 -0.134 16.182 -0.699 1.00 0.00 C ATOM 691 O ASN A 44 0.797 16.952 -0.947 1.00 0.00 O ATOM 692 CB ASN A 44 -1.294 17.121 -2.796 1.00 0.00 C ATOM 693 CG ASN A 44 -0.280 16.615 -3.815 1.00 0.00 C ATOM 694 OD1 ASN A 44 -0.622 15.804 -4.665 1.00 0.00 O ATOM 695 ND2 ASN A 44 0.964 17.054 -3.757 1.00 0.00 N ATOM 0 H ASN A 44 -3.410 15.932 -1.183 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.454 15.155 -1.973 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.272 17.216 -3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.006 18.116 -2.457 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.655 16.717 -4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.233 17.730 -3.042 1.00 0.00 H new ATOM 702 N PRO A 45 -0.076 15.349 0.360 1.00 0.00 N ATOM 703 CA PRO A 45 1.028 15.406 1.302 1.00 0.00 C ATOM 704 C PRO A 45 2.309 14.925 0.628 1.00 0.00 C ATOM 705 O PRO A 45 2.322 13.883 -0.043 1.00 0.00 O ATOM 706 CB PRO A 45 0.630 14.511 2.478 1.00 0.00 C ATOM 707 CG PRO A 45 -0.336 13.509 1.851 1.00 0.00 C ATOM 708 CD PRO A 45 -1.032 14.327 0.763 1.00 0.00 C ATOM 0 HA PRO A 45 1.223 16.420 1.650 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.496 14.014 2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.154 15.083 3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.190 12.650 1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.047 13.124 2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.310 13.697 -0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.950 14.778 1.140 1.00 0.00 H new ATOM 716 N GLN A 46 3.410 15.640 0.880 1.00 0.00 N ATOM 717 CA GLN A 46 4.701 15.264 0.316 1.00 0.00 C ATOM 718 C GLN A 46 5.134 13.870 0.750 1.00 0.00 C ATOM 719 O GLN A 46 5.833 13.253 -0.034 1.00 0.00 O ATOM 720 CB GLN A 46 5.808 16.302 0.549 1.00 0.00 C ATOM 721 CG GLN A 46 5.641 17.553 -0.332 1.00 0.00 C ATOM 722 CD GLN A 46 5.663 17.228 -1.829 1.00 0.00 C ATOM 723 OE1 GLN A 46 4.725 17.537 -2.551 1.00 0.00 O ATOM 724 NE2 GLN A 46 6.702 16.563 -2.313 1.00 0.00 N ATOM 0 H GLN A 46 3.429 16.475 1.466 1.00 0.00 H new ATOM 0 HA GLN A 46 4.544 15.240 -0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.808 16.598 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.777 15.846 0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.700 18.044 -0.085 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.439 18.261 -0.106 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.477 16.312 -1.700 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.726 16.302 -3.299 1.00 0.00 H new ATOM 733 N LYS A 47 4.602 13.313 1.848 1.00 0.00 N ATOM 734 CA LYS A 47 4.803 11.920 2.249 1.00 0.00 C ATOM 735 C LYS A 47 4.837 10.975 1.058 1.00 0.00 C ATOM 736 O LYS A 47 5.607 10.017 1.095 1.00 0.00 O ATOM 737 CB LYS A 47 3.754 11.511 3.311 1.00 0.00 C ATOM 738 CG LYS A 47 3.483 9.996 3.499 1.00 0.00 C ATOM 739 CD LYS A 47 2.359 9.418 2.598 1.00 0.00 C ATOM 740 CE LYS A 47 2.804 8.372 1.554 1.00 0.00 C ATOM 741 NZ LYS A 47 3.220 7.076 2.130 1.00 0.00 N ATOM 0 H LYS A 47 4.008 13.833 2.493 1.00 0.00 H new ATOM 0 HA LYS A 47 5.787 11.838 2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.070 11.918 4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.810 11.993 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.405 9.449 3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.222 9.815 4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.603 8.964 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.879 10.244 2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.984 8.200 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.632 8.782 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.119 6.778 1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.344 7.177 3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.490 6.360 1.938 1.00 0.00 H new ATOM 755 N ALA A 48 3.886 11.069 0.119 1.00 0.00 N ATOM 756 CA ALA A 48 3.979 10.357 -1.155 1.00 0.00 C ATOM 757 C ALA A 48 4.646 11.090 -2.319 1.00 0.00 C ATOM 758 O ALA A 48 5.135 10.470 -3.256 1.00 0.00 O ATOM 759 CB ALA A 48 2.637 9.819 -1.566 1.00 0.00 C ATOM 0 H ALA A 48 3.043 11.634 0.222 1.00 0.00 H new ATOM 0 HA ALA A 48 4.673 9.545 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.731 9.294 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.273 9.129 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.933 10.643 -1.676 1.00 0.00 H new ATOM 765 N MET A 49 4.480 12.407 -2.374 1.00 0.00 N ATOM 766 CA MET A 49 4.924 13.221 -3.508 1.00 0.00 C ATOM 767 C MET A 49 6.420 13.567 -3.446 1.00 0.00 C ATOM 768 O MET A 49 6.906 14.313 -4.293 1.00 0.00 O ATOM 769 CB MET A 49 4.010 14.451 -3.640 1.00 0.00 C ATOM 770 CG MET A 49 2.613 14.042 -4.129 1.00 0.00 C ATOM 771 SD MET A 49 2.268 14.309 -5.894 1.00 0.00 S ATOM 772 CE MET A 49 3.595 13.360 -6.681 1.00 0.00 C ATOM 0 H MET A 49 4.032 12.945 -1.632 1.00 0.00 H new ATOM 0 HA MET A 49 4.829 12.633 -4.421 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.930 14.955 -2.677 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.450 15.164 -4.337 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.469 12.984 -3.908 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.872 14.592 -3.548 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.515 13.451 -7.764 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.561 13.746 -6.355 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.509 12.311 -6.398 1.00 0.00 H new ATOM 782 N GLU A 50 7.142 13.058 -2.449 1.00 0.00 N ATOM 783 CA GLU A 50 8.589 13.068 -2.326 1.00 0.00 C ATOM 784 C GLU A 50 9.184 11.886 -3.128 1.00 0.00 C ATOM 785 O GLU A 50 8.683 11.527 -4.202 1.00 0.00 O ATOM 786 CB GLU A 50 8.963 13.122 -0.823 1.00 0.00 C ATOM 787 CG GLU A 50 8.630 11.880 0.031 1.00 0.00 C ATOM 788 CD GLU A 50 8.820 12.178 1.524 1.00 0.00 C ATOM 789 OE1 GLU A 50 7.950 12.861 2.114 1.00 0.00 O ATOM 790 OE2 GLU A 50 9.861 11.739 2.059 1.00 0.00 O ATOM 0 H GLU A 50 6.696 12.598 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 50 9.037 13.957 -2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.035 13.306 -0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.460 13.982 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.601 11.571 -0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.271 11.049 -0.263 1.00 0.00 H new ATOM 797 N TYR A 51 10.256 11.280 -2.605 1.00 0.00 N ATOM 798 CA TYR A 51 10.971 10.134 -3.156 1.00 0.00 C ATOM 799 C TYR A 51 11.716 10.512 -4.448 1.00 0.00 C ATOM 800 O TYR A 51 11.868 11.686 -4.775 1.00 0.00 O ATOM 801 CB TYR A 51 10.025 8.944 -3.390 1.00 0.00 C ATOM 802 CG TYR A 51 8.936 8.640 -2.370 1.00 0.00 C ATOM 803 CD1 TYR A 51 9.249 8.191 -1.072 1.00 0.00 C ATOM 804 CD2 TYR A 51 7.589 8.662 -2.783 1.00 0.00 C ATOM 805 CE1 TYR A 51 8.215 7.805 -0.194 1.00 0.00 C ATOM 806 CE2 TYR A 51 6.564 8.216 -1.934 1.00 0.00 C ATOM 807 CZ TYR A 51 6.874 7.811 -0.624 1.00 0.00 C ATOM 808 OH TYR A 51 5.876 7.539 0.256 1.00 0.00 O ATOM 0 H TYR A 51 10.670 11.601 -1.730 1.00 0.00 H new ATOM 0 HA TYR A 51 11.714 9.826 -2.421 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.537 9.099 -4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 51 10.642 8.050 -3.486 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.279 8.142 -0.750 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.341 9.028 -3.768 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.453 7.503 0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.543 8.184 -2.285 1.00 0.00 H new ATOM 0 HH TYR A 51 5.800 8.273 0.901 1.00 0.00 H new ATOM 818 N GLY A 52 12.200 9.513 -5.191 1.00 0.00 N ATOM 819 CA GLY A 52 12.764 9.686 -6.527 1.00 0.00 C ATOM 820 C GLY A 52 11.732 9.538 -7.648 1.00 0.00 C ATOM 821 O GLY A 52 12.118 9.508 -8.818 1.00 0.00 O ATOM 0 H GLY A 52 12.210 8.544 -4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.223 10.672 -6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.558 8.954 -6.675 1.00 0.00 H new ATOM 825 N ILE A 53 10.448 9.392 -7.311 1.00 0.00 N ATOM 826 CA ILE A 53 9.341 9.277 -8.259 1.00 0.00 C ATOM 827 C ILE A 53 8.745 10.667 -8.455 1.00 0.00 C ATOM 828 O ILE A 53 8.733 11.154 -9.581 1.00 0.00 O ATOM 829 CB ILE A 53 8.323 8.166 -7.858 1.00 0.00 C ATOM 830 CG1 ILE A 53 6.875 8.447 -8.331 1.00 0.00 C ATOM 831 CG2 ILE A 53 8.324 7.827 -6.358 1.00 0.00 C ATOM 832 CD1 ILE A 53 5.916 7.271 -8.112 1.00 0.00 C ATOM 0 H ILE A 53 10.142 9.349 -6.339 1.00 0.00 H new ATOM 0 HA ILE A 53 9.698 8.931 -9.229 1.00 0.00 H new ATOM 0 HB ILE A 53 8.689 7.291 -8.395 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.492 9.320 -7.802 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.891 8.699 -9.391 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.589 7.046 -6.161 1.00 0.00 H new ATOM 0 HG22 ILE A 53 9.314 7.476 -6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.070 8.718 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.922 7.541 -8.467 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.274 6.402 -8.664 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.869 7.033 -7.049 1.00 0.00 H new ATOM 844 N MET A 54 8.256 11.298 -7.379 1.00 0.00 N ATOM 845 CA MET A 54 7.591 12.606 -7.382 1.00 0.00 C ATOM 846 C MET A 54 6.463 12.759 -8.431 1.00 0.00 C ATOM 847 O MET A 54 5.996 13.870 -8.673 1.00 0.00 O ATOM 848 CB MET A 54 8.653 13.718 -7.494 1.00 0.00 C ATOM 849 CG MET A 54 9.689 13.664 -6.361 1.00 0.00 C ATOM 850 SD MET A 54 11.053 14.846 -6.539 1.00 0.00 S ATOM 851 CE MET A 54 12.086 13.919 -7.705 1.00 0.00 C ATOM 0 H MET A 54 8.316 10.893 -6.445 1.00 0.00 H new ATOM 0 HA MET A 54 7.066 12.697 -6.431 1.00 0.00 H new ATOM 0 HB2 MET A 54 9.164 13.631 -8.453 1.00 0.00 H new ATOM 0 HB3 MET A 54 8.159 14.689 -7.483 1.00 0.00 H new ATOM 0 HG2 MET A 54 9.184 13.850 -5.413 1.00 0.00 H new ATOM 0 HG3 MET A 54 10.101 12.656 -6.309 1.00 0.00 H new ATOM 0 HE1 MET A 54 12.982 14.495 -7.935 1.00 0.00 H new ATOM 0 HE2 MET A 54 12.372 12.966 -7.260 1.00 0.00 H new ATOM 0 HE3 MET A 54 11.526 13.737 -8.622 1.00 0.00 H new ATOM 861 N ALA A 55 5.987 11.673 -9.054 1.00 0.00 N ATOM 862 CA ALA A 55 5.117 11.684 -10.219 1.00 0.00 C ATOM 863 C ALA A 55 4.065 10.583 -10.085 1.00 0.00 C ATOM 864 O ALA A 55 4.366 9.403 -10.244 1.00 0.00 O ATOM 865 CB ALA A 55 5.956 11.499 -11.490 1.00 0.00 C ATOM 0 H ALA A 55 6.211 10.728 -8.741 1.00 0.00 H new ATOM 0 HA ALA A 55 4.601 12.642 -10.287 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.302 11.507 -12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.679 12.311 -11.570 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.484 10.547 -11.442 1.00 0.00 H new ATOM 871 N VAL A 56 2.828 10.979 -9.794 1.00 0.00 N ATOM 872 CA VAL A 56 1.667 10.088 -9.747 1.00 0.00 C ATOM 873 C VAL A 56 1.470 9.339 -11.085 1.00 0.00 C ATOM 874 O VAL A 56 1.889 9.868 -12.121 1.00 0.00 O ATOM 875 CB VAL A 56 0.411 10.884 -9.316 1.00 0.00 C ATOM 876 CG1 VAL A 56 0.461 11.205 -7.817 1.00 0.00 C ATOM 877 CG2 VAL A 56 0.202 12.187 -10.107 1.00 0.00 C ATOM 0 H VAL A 56 2.598 11.949 -9.579 1.00 0.00 H new ATOM 0 HA VAL A 56 1.843 9.316 -8.998 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.436 10.235 -9.537 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.431 11.765 -7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.502 10.277 -7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.347 11.802 -7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.697 12.690 -9.749 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.063 12.840 -9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.091 11.956 -11.166 1.00 0.00 H new ATOM 887 N PRO A 57 0.771 8.181 -11.140 1.00 0.00 N ATOM 888 CA PRO A 57 0.129 7.461 -10.037 1.00 0.00 C ATOM 889 C PRO A 57 1.175 6.811 -9.119 1.00 0.00 C ATOM 890 O PRO A 57 1.882 5.895 -9.528 1.00 0.00 O ATOM 891 CB PRO A 57 -0.805 6.444 -10.709 1.00 0.00 C ATOM 892 CG PRO A 57 -0.167 6.164 -12.066 1.00 0.00 C ATOM 893 CD PRO A 57 0.571 7.460 -12.398 1.00 0.00 C ATOM 0 HA PRO A 57 -0.438 8.120 -9.379 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.889 5.533 -10.116 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.812 6.846 -10.821 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.516 5.316 -12.019 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.918 5.927 -12.820 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.528 7.246 -12.875 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.007 8.063 -13.099 1.00 0.00 H new ATOM 901 N THR A 58 1.278 7.299 -7.885 1.00 0.00 N ATOM 902 CA THR A 58 2.331 6.972 -6.940 1.00 0.00 C ATOM 903 C THR A 58 1.896 5.718 -6.195 1.00 0.00 C ATOM 904 O THR A 58 0.917 5.755 -5.449 1.00 0.00 O ATOM 905 CB THR A 58 2.518 8.190 -6.018 1.00 0.00 C ATOM 906 OG1 THR A 58 3.089 9.256 -6.746 1.00 0.00 O ATOM 907 CG2 THR A 58 3.377 7.957 -4.780 1.00 0.00 C ATOM 0 H THR A 58 0.600 7.960 -7.505 1.00 0.00 H new ATOM 0 HA THR A 58 3.291 6.764 -7.413 1.00 0.00 H new ATOM 0 HB THR A 58 1.514 8.414 -5.659 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.205 10.030 -6.156 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.442 8.880 -4.203 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.927 7.176 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.377 7.648 -5.084 1.00 0.00 H new ATOM 915 N ILE A 59 2.554 4.580 -6.424 1.00 0.00 N ATOM 916 CA ILE A 59 2.105 3.333 -5.832 1.00 0.00 C ATOM 917 C ILE A 59 3.196 2.868 -4.872 1.00 0.00 C ATOM 918 O ILE A 59 4.379 3.078 -5.125 1.00 0.00 O ATOM 919 CB ILE A 59 1.787 2.318 -6.953 1.00 0.00 C ATOM 920 CG1 ILE A 59 0.981 2.873 -8.154 1.00 0.00 C ATOM 921 CG2 ILE A 59 1.054 1.092 -6.368 1.00 0.00 C ATOM 922 CD1 ILE A 59 -0.310 3.631 -7.835 1.00 0.00 C ATOM 0 H ILE A 59 3.387 4.502 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 59 1.182 3.449 -5.264 1.00 0.00 H new ATOM 0 HB ILE A 59 2.761 2.046 -7.359 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.633 3.538 -8.721 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.731 2.038 -8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.835 0.384 -7.167 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.686 0.612 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.122 1.413 -5.902 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.775 3.965 -8.763 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.996 2.973 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.080 4.496 -7.213 1.00 0.00 H new ATOM 934 N VAL A 60 2.849 2.126 -3.832 1.00 0.00 N ATOM 935 CA VAL A 60 3.795 1.351 -3.037 1.00 0.00 C ATOM 936 C VAL A 60 3.347 -0.093 -3.192 1.00 0.00 C ATOM 937 O VAL A 60 2.145 -0.340 -3.109 1.00 0.00 O ATOM 938 CB VAL A 60 3.812 1.835 -1.570 1.00 0.00 C ATOM 939 CG1 VAL A 60 4.902 1.114 -0.768 1.00 0.00 C ATOM 940 CG2 VAL A 60 4.066 3.347 -1.455 1.00 0.00 C ATOM 0 H VAL A 60 1.885 2.043 -3.509 1.00 0.00 H new ATOM 0 HA VAL A 60 4.826 1.468 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 60 2.825 1.607 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.893 1.472 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.713 0.041 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.876 1.316 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.068 3.637 -0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.031 3.589 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.279 3.889 -1.979 1.00 0.00 H new ATOM 950 N ILE A 61 4.261 -1.028 -3.473 1.00 0.00 N ATOM 951 CA ILE A 61 3.982 -2.455 -3.246 1.00 0.00 C ATOM 952 C ILE A 61 5.033 -3.015 -2.307 1.00 0.00 C ATOM 953 O ILE A 61 6.147 -2.507 -2.310 1.00 0.00 O ATOM 954 CB ILE A 61 3.865 -3.275 -4.549 1.00 0.00 C ATOM 955 CG1 ILE A 61 5.112 -3.238 -5.461 1.00 0.00 C ATOM 956 CG2 ILE A 61 2.615 -2.809 -5.315 1.00 0.00 C ATOM 957 CD1 ILE A 61 6.315 -4.086 -5.023 1.00 0.00 C ATOM 0 H ILE A 61 5.187 -0.830 -3.852 1.00 0.00 H new ATOM 0 HA ILE A 61 2.998 -2.540 -2.784 1.00 0.00 H new ATOM 0 HB ILE A 61 3.780 -4.320 -4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.813 -3.561 -6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.440 -2.202 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.520 -3.380 -6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.730 -2.967 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.708 -1.749 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.122 -3.973 -5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.657 -3.754 -4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.021 -5.134 -4.969 1.00 0.00 H new ATOM 969 N ASN A 62 4.700 -4.072 -1.563 1.00 0.00 N ATOM 970 CA ASN A 62 5.446 -4.698 -0.465 1.00 0.00 C ATOM 971 C ASN A 62 5.980 -3.686 0.560 1.00 0.00 C ATOM 972 O ASN A 62 5.475 -3.657 1.685 1.00 0.00 O ATOM 973 CB ASN A 62 6.508 -5.707 -0.941 1.00 0.00 C ATOM 974 CG ASN A 62 6.079 -6.758 -1.968 1.00 0.00 C ATOM 975 OD1 ASN A 62 4.998 -6.717 -2.552 1.00 0.00 O ATOM 976 ND2 ASN A 62 6.935 -7.736 -2.213 1.00 0.00 N ATOM 0 H ASN A 62 3.819 -4.558 -1.728 1.00 0.00 H new ATOM 0 HA ASN A 62 4.712 -5.295 0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.340 -5.144 -1.364 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.890 -6.230 -0.065 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.700 -8.462 -2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.830 -7.764 -1.725 1.00 0.00 H new ATOM 983 N GLY A 63 6.971 -2.872 0.183 1.00 0.00 N ATOM 984 CA GLY A 63 7.375 -1.635 0.837 1.00 0.00 C ATOM 985 C GLY A 63 8.078 -0.637 -0.102 1.00 0.00 C ATOM 986 O GLY A 63 8.585 0.373 0.380 1.00 0.00 O ATOM 0 H GLY A 63 7.543 -3.076 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.494 -1.157 1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.043 -1.874 1.664 1.00 0.00 H new ATOM 990 N ASP A 64 8.187 -0.924 -1.405 1.00 0.00 N ATOM 991 CA ASP A 64 8.868 -0.124 -2.424 1.00 0.00 C ATOM 992 C ASP A 64 7.886 0.857 -3.065 1.00 0.00 C ATOM 993 O ASP A 64 6.905 0.414 -3.685 1.00 0.00 O ATOM 994 CB ASP A 64 9.410 -1.028 -3.548 1.00 0.00 C ATOM 995 CG ASP A 64 10.668 -1.826 -3.225 1.00 0.00 C ATOM 996 OD1 ASP A 64 11.252 -1.663 -2.132 1.00 0.00 O ATOM 997 OD2 ASP A 64 11.073 -2.655 -4.071 1.00 0.00 O ATOM 0 H ASP A 64 7.777 -1.772 -1.797 1.00 0.00 H new ATOM 0 HA ASP A 64 9.685 0.407 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.625 -1.728 -3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.614 -0.406 -4.419 1.00 0.00 H new ATOM 1002 N VAL A 65 8.138 2.167 -2.982 1.00 0.00 N ATOM 1003 CA VAL A 65 7.420 3.138 -3.811 1.00 0.00 C ATOM 1004 C VAL A 65 7.917 3.032 -5.265 1.00 0.00 C ATOM 1005 O VAL A 65 9.119 2.943 -5.505 1.00 0.00 O ATOM 1006 CB VAL A 65 7.499 4.562 -3.233 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.894 5.195 -3.310 1.00 0.00 C ATOM 1008 CG2 VAL A 65 6.449 5.441 -3.935 1.00 0.00 C ATOM 0 H VAL A 65 8.829 2.577 -2.353 1.00 0.00 H new ATOM 0 HA VAL A 65 6.356 2.900 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 65 7.286 4.491 -2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.863 6.197 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.602 4.583 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.209 5.255 -4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.495 6.453 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.652 5.465 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.455 5.028 -3.764 1.00 0.00 H new ATOM 1018 N GLU A 66 6.987 2.999 -6.227 1.00 0.00 N ATOM 1019 CA GLU A 66 7.234 2.986 -7.668 1.00 0.00 C ATOM 1020 C GLU A 66 5.938 3.411 -8.388 1.00 0.00 C ATOM 1021 O GLU A 66 4.849 3.276 -7.821 1.00 0.00 O ATOM 1022 CB GLU A 66 7.676 1.561 -8.060 1.00 0.00 C ATOM 1023 CG GLU A 66 7.916 1.210 -9.533 1.00 0.00 C ATOM 1024 CD GLU A 66 9.030 2.008 -10.191 1.00 0.00 C ATOM 1025 OE1 GLU A 66 9.005 3.253 -10.098 1.00 0.00 O ATOM 1026 OE2 GLU A 66 9.943 1.388 -10.784 1.00 0.00 O ATOM 0 H GLU A 66 5.991 2.980 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 66 8.021 3.682 -7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.600 1.349 -7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.921 0.872 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.152 0.148 -9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.992 1.371 -10.088 1.00 0.00 H new ATOM 1033 N PHE A 67 6.018 3.799 -9.660 1.00 0.00 N ATOM 1034 CA PHE A 67 4.893 3.822 -10.600 1.00 0.00 C ATOM 1035 C PHE A 67 5.339 3.018 -11.815 1.00 0.00 C ATOM 1036 O PHE A 67 6.535 2.947 -12.105 1.00 0.00 O ATOM 1037 CB PHE A 67 4.539 5.256 -11.016 1.00 0.00 C ATOM 1038 CG PHE A 67 5.471 5.893 -12.042 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.707 6.446 -11.652 1.00 0.00 C ATOM 1040 CD2 PHE A 67 5.119 5.888 -13.408 1.00 0.00 C ATOM 1041 CE1 PHE A 67 7.576 6.998 -12.612 1.00 0.00 C ATOM 1042 CE2 PHE A 67 5.999 6.423 -14.368 1.00 0.00 C ATOM 1043 CZ PHE A 67 7.227 6.977 -13.972 1.00 0.00 C ATOM 0 H PHE A 67 6.892 4.116 -10.079 1.00 0.00 H new ATOM 0 HA PHE A 67 3.999 3.401 -10.139 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.527 5.259 -11.420 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.528 5.882 -10.124 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.989 6.446 -10.610 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.172 5.473 -13.718 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.512 7.438 -12.302 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.728 6.407 -15.413 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.901 7.385 -14.711 1.00 0.00 H new ATOM 1053 N ILE A 68 4.399 2.434 -12.552 1.00 0.00 N ATOM 1054 CA ILE A 68 4.681 1.806 -13.829 1.00 0.00 C ATOM 1055 C ILE A 68 3.488 2.128 -14.724 1.00 0.00 C ATOM 1056 O ILE A 68 2.366 2.202 -14.228 1.00 0.00 O ATOM 1057 CB ILE A 68 4.869 0.274 -13.676 1.00 0.00 C ATOM 1058 CG1 ILE A 68 5.673 -0.219 -12.439 1.00 0.00 C ATOM 1059 CG2 ILE A 68 5.479 -0.255 -14.993 1.00 0.00 C ATOM 1060 CD1 ILE A 68 7.186 -0.322 -12.644 1.00 0.00 C ATOM 0 H ILE A 68 3.418 2.385 -12.275 1.00 0.00 H new ATOM 0 HA ILE A 68 5.612 2.180 -14.256 1.00 0.00 H new ATOM 0 HB ILE A 68 3.879 -0.137 -13.481 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.481 0.458 -11.607 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.295 -1.198 -12.147 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.625 -1.333 -14.919 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.804 -0.036 -15.820 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.439 0.230 -15.170 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.655 -0.674 -11.725 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.397 -1.024 -13.451 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.586 0.659 -12.903 1.00 0.00 H new ATOM 1072 N GLY A 69 3.718 2.248 -16.028 1.00 0.00 N ATOM 1073 CA GLY A 69 2.665 2.246 -17.025 1.00 0.00 C ATOM 1074 C GLY A 69 1.721 3.440 -16.909 1.00 0.00 C ATOM 1075 O GLY A 69 2.014 4.453 -16.265 1.00 0.00 O ATOM 0 H GLY A 69 4.653 2.350 -16.422 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.114 2.242 -18.018 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.088 1.326 -16.933 1.00 0.00 H new ATOM 1079 N ALA A 70 0.603 3.337 -17.619 1.00 0.00 N ATOM 1080 CA ALA A 70 -0.534 4.228 -17.469 1.00 0.00 C ATOM 1081 C ALA A 70 -1.441 3.936 -16.252 1.00 0.00 C ATOM 1082 O ALA A 70 -2.038 4.896 -15.762 1.00 0.00 O ATOM 1083 CB ALA A 70 -1.360 4.164 -18.760 1.00 0.00 C ATOM 0 H ALA A 70 0.462 2.617 -18.328 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.130 5.223 -17.283 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.222 4.826 -18.674 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.744 4.479 -19.602 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.702 3.142 -18.923 1.00 0.00 H new ATOM 1089 N PRO A 71 -1.664 2.680 -15.802 1.00 0.00 N ATOM 1090 CA PRO A 71 -2.753 2.370 -14.881 1.00 0.00 C ATOM 1091 C PRO A 71 -2.341 2.667 -13.431 1.00 0.00 C ATOM 1092 O PRO A 71 -2.239 3.834 -13.056 1.00 0.00 O ATOM 1093 CB PRO A 71 -3.110 0.910 -15.198 1.00 0.00 C ATOM 1094 CG PRO A 71 -1.770 0.291 -15.565 1.00 0.00 C ATOM 1095 CD PRO A 71 -1.061 1.437 -16.269 1.00 0.00 C ATOM 0 HA PRO A 71 -3.642 2.989 -15.002 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.561 0.411 -14.340 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.823 0.840 -16.019 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.223 -0.045 -14.684 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.888 -0.575 -16.216 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.006 1.422 -16.047 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.163 1.344 -17.350 1.00 0.00 H new ATOM 1103 N THR A 72 -2.143 1.662 -12.583 1.00 0.00 N ATOM 1104 CA THR A 72 -1.371 1.753 -11.376 1.00 0.00 C ATOM 1105 C THR A 72 -0.171 0.833 -11.589 1.00 0.00 C ATOM 1106 O THR A 72 0.318 0.714 -12.711 1.00 0.00 O ATOM 1107 CB THR A 72 -2.301 1.418 -10.207 1.00 0.00 C ATOM 1108 OG1 THR A 72 -2.671 0.061 -10.116 1.00 0.00 O ATOM 1109 CG2 THR A 72 -3.565 2.289 -10.166 1.00 0.00 C ATOM 0 H THR A 72 -2.536 0.733 -12.735 1.00 0.00 H new ATOM 0 HA THR A 72 -0.971 2.738 -11.135 1.00 0.00 H new ATOM 0 HB THR A 72 -1.683 1.646 -9.338 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.631 -0.349 -11.005 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.179 1.999 -9.314 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.282 3.337 -10.069 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.133 2.150 -11.086 1.00 0.00 H new ATOM 1117 N LYS A 73 0.354 0.173 -10.560 1.00 0.00 N ATOM 1118 CA LYS A 73 1.633 -0.525 -10.684 1.00 0.00 C ATOM 1119 C LYS A 73 1.468 -1.873 -11.390 1.00 0.00 C ATOM 1120 O LYS A 73 2.269 -2.774 -11.170 1.00 0.00 O ATOM 1121 CB LYS A 73 2.214 -0.659 -9.282 1.00 0.00 C ATOM 1122 CG LYS A 73 3.664 -1.141 -9.310 1.00 0.00 C ATOM 1123 CD LYS A 73 4.612 -0.186 -8.621 1.00 0.00 C ATOM 1124 CE LYS A 73 4.264 -0.237 -7.124 1.00 0.00 C ATOM 1125 NZ LYS A 73 5.098 0.623 -6.268 1.00 0.00 N ATOM 0 H LYS A 73 -0.080 0.106 -9.639 1.00 0.00 H new ATOM 0 HA LYS A 73 2.324 0.040 -11.309 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.161 0.304 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.610 -1.358 -8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.727 -2.118 -8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.978 -1.274 -10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.649 -0.478 -8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.498 0.825 -9.012 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.220 0.051 -6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.355 -1.267 -6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.721 0.618 -5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.074 0.264 -6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.089 1.595 -6.638 1.00 0.00 H new ATOM 1139 N GLU A 74 0.402 -2.084 -12.147 1.00 0.00 N ATOM 1140 CA GLU A 74 -0.076 -3.413 -12.477 1.00 0.00 C ATOM 1141 C GLU A 74 0.917 -4.265 -13.265 1.00 0.00 C ATOM 1142 O GLU A 74 0.995 -5.460 -13.000 1.00 0.00 O ATOM 1143 CB GLU A 74 -1.485 -3.305 -13.057 1.00 0.00 C ATOM 1144 CG GLU A 74 -2.476 -3.012 -11.915 1.00 0.00 C ATOM 1145 CD GLU A 74 -3.659 -2.186 -12.407 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -4.630 -2.802 -12.902 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -3.602 -0.938 -12.287 1.00 0.00 O ATOM 0 H GLU A 74 -0.157 -1.332 -12.551 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.154 -4.001 -11.562 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.525 -2.512 -13.803 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.756 -4.232 -13.562 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.835 -3.950 -11.493 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.964 -2.478 -11.115 1.00 0.00 H new ATOM 1154 N ALA A 75 1.788 -3.645 -14.062 1.00 0.00 N ATOM 1155 CA ALA A 75 2.973 -4.274 -14.636 1.00 0.00 C ATOM 1156 C ALA A 75 3.801 -5.030 -13.587 1.00 0.00 C ATOM 1157 O ALA A 75 4.222 -6.168 -13.810 1.00 0.00 O ATOM 1158 CB ALA A 75 3.842 -3.171 -15.239 1.00 0.00 C ATOM 0 H ALA A 75 1.684 -2.667 -14.332 1.00 0.00 H new ATOM 0 HA ALA A 75 2.649 -4.998 -15.384 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.738 -3.612 -15.677 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.280 -2.647 -16.012 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.129 -2.466 -14.459 1.00 0.00 H new ATOM 1164 N LEU A 76 4.080 -4.380 -12.456 1.00 0.00 N ATOM 1165 CA LEU A 76 4.809 -4.961 -11.342 1.00 0.00 C ATOM 1166 C LEU A 76 3.878 -5.840 -10.514 1.00 0.00 C ATOM 1167 O LEU A 76 4.369 -6.817 -9.982 1.00 0.00 O ATOM 1168 CB LEU A 76 5.430 -3.866 -10.448 1.00 0.00 C ATOM 1169 CG LEU A 76 6.865 -4.068 -9.923 1.00 0.00 C ATOM 1170 CD1 LEU A 76 7.013 -5.305 -9.045 1.00 0.00 C ATOM 1171 CD2 LEU A 76 7.907 -4.085 -11.039 1.00 0.00 C ATOM 0 H LEU A 76 3.796 -3.414 -12.292 1.00 0.00 H new ATOM 0 HA LEU A 76 5.619 -5.568 -11.747 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.411 -2.931 -11.008 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.777 -3.734 -9.585 1.00 0.00 H new ATOM 0 HG LEU A 76 7.056 -3.196 -9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.046 -5.390 -8.708 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.355 -5.218 -8.180 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.744 -6.192 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.898 -4.230 -10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.688 -4.900 -11.729 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.880 -3.137 -11.576 1.00 0.00 H new ATOM 1183 N VAL A 77 2.577 -5.560 -10.344 1.00 0.00 N ATOM 1184 CA VAL A 77 1.749 -6.377 -9.457 1.00 0.00 C ATOM 1185 C VAL A 77 1.552 -7.792 -10.035 1.00 0.00 C ATOM 1186 O VAL A 77 1.731 -8.799 -9.344 1.00 0.00 O ATOM 1187 CB VAL A 77 0.486 -5.623 -8.973 1.00 0.00 C ATOM 1188 CG1 VAL A 77 0.816 -4.173 -8.587 1.00 0.00 C ATOM 1189 CG2 VAL A 77 -0.774 -5.638 -9.851 1.00 0.00 C ATOM 0 H VAL A 77 2.088 -4.790 -10.800 1.00 0.00 H new ATOM 0 HA VAL A 77 2.277 -6.555 -8.520 1.00 0.00 H new ATOM 0 HB VAL A 77 0.201 -6.230 -8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.091 -3.670 -8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.552 -4.169 -7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.222 -3.649 -9.453 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.563 -5.064 -9.365 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.547 -5.195 -10.821 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.108 -6.666 -9.991 1.00 0.00 H new ATOM 1199 N GLU A 78 1.400 -7.868 -11.354 1.00 0.00 N ATOM 1200 CA GLU A 78 1.480 -9.064 -12.184 1.00 0.00 C ATOM 1201 C GLU A 78 2.803 -9.820 -11.949 1.00 0.00 C ATOM 1202 O GLU A 78 2.871 -11.018 -12.225 1.00 0.00 O ATOM 1203 CB GLU A 78 1.329 -8.520 -13.619 1.00 0.00 C ATOM 1204 CG GLU A 78 1.317 -9.486 -14.802 1.00 0.00 C ATOM 1205 CD GLU A 78 1.140 -8.691 -16.103 1.00 0.00 C ATOM 1206 OE1 GLU A 78 0.014 -8.207 -16.376 1.00 0.00 O ATOM 1207 OE2 GLU A 78 2.139 -8.479 -16.834 1.00 0.00 O ATOM 0 H GLU A 78 1.204 -7.035 -11.910 1.00 0.00 H new ATOM 0 HA GLU A 78 0.714 -9.806 -11.957 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.400 -7.952 -13.655 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.142 -7.813 -13.785 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.247 -10.053 -14.833 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.507 -10.207 -14.690 1.00 0.00 H new ATOM 1214 N ALA A 79 3.839 -9.175 -11.395 1.00 0.00 N ATOM 1215 CA ALA A 79 5.033 -9.813 -10.859 1.00 0.00 C ATOM 1216 C ALA A 79 4.948 -10.058 -9.342 1.00 0.00 C ATOM 1217 O ALA A 79 5.283 -11.170 -8.947 1.00 0.00 O ATOM 1218 CB ALA A 79 6.298 -9.040 -11.244 1.00 0.00 C ATOM 0 H ALA A 79 3.862 -8.159 -11.308 1.00 0.00 H new ATOM 0 HA ALA A 79 5.095 -10.799 -11.320 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.172 -9.542 -10.829 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.384 -9.001 -12.330 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.240 -8.026 -10.848 1.00 0.00 H new ATOM 1224 N ILE A 80 4.518 -9.113 -8.484 1.00 0.00 N ATOM 1225 CA ILE A 80 4.487 -9.282 -7.028 1.00 0.00 C ATOM 1226 C ILE A 80 3.730 -10.532 -6.614 1.00 0.00 C ATOM 1227 O ILE A 80 4.077 -11.097 -5.577 1.00 0.00 O ATOM 1228 CB ILE A 80 3.953 -8.049 -6.257 1.00 0.00 C ATOM 1229 CG1 ILE A 80 2.407 -7.884 -6.209 1.00 0.00 C ATOM 1230 CG2 ILE A 80 4.709 -6.784 -6.673 1.00 0.00 C ATOM 1231 CD1 ILE A 80 1.933 -6.537 -5.644 1.00 0.00 C ATOM 0 H ILE A 80 4.179 -8.201 -8.792 1.00 0.00 H new ATOM 0 HA ILE A 80 5.533 -9.394 -6.744 1.00 0.00 H new ATOM 0 HB ILE A 80 4.174 -8.243 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.009 -8.002 -7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.986 -8.687 -5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.319 -5.929 -6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.770 -6.905 -6.453 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.577 -6.616 -7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.843 -6.505 -5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.298 -6.422 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.321 -5.727 -6.261 1.00 0.00 H new ATOM 1243 N LYS A 81 2.742 -10.968 -7.411 1.00 0.00 N ATOM 1244 CA LYS A 81 2.222 -12.319 -7.237 1.00 0.00 C ATOM 1245 C LYS A 81 3.291 -13.392 -7.483 1.00 0.00 C ATOM 1246 O LYS A 81 3.833 -13.949 -6.537 1.00 0.00 O ATOM 1247 CB LYS A 81 0.932 -12.588 -8.020 1.00 0.00 C ATOM 1248 CG LYS A 81 0.781 -11.866 -9.361 1.00 0.00 C ATOM 1249 CD LYS A 81 -0.329 -12.401 -10.272 1.00 0.00 C ATOM 1250 CE LYS A 81 -1.617 -12.854 -9.557 1.00 0.00 C ATOM 1251 NZ LYS A 81 -1.532 -14.224 -8.993 1.00 0.00 N ATOM 0 H LYS A 81 2.305 -10.423 -8.154 1.00 0.00 H new ATOM 0 HA LYS A 81 1.941 -12.388 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.861 -13.661 -8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.087 -12.314 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.592 -10.810 -9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.729 -11.927 -9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.588 -11.625 -10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.066 -13.244 -10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.843 -12.153 -8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.448 -12.811 -10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.484 -14.640 -8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.926 -14.812 -9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.126 -14.181 -8.036 1.00 0.00 H new ATOM 1265 N LYS A 82 3.590 -13.706 -8.749 1.00 0.00 N ATOM 1266 CA LYS A 82 4.437 -14.841 -9.150 1.00 0.00 C ATOM 1267 C LYS A 82 5.861 -14.798 -8.593 1.00 0.00 C ATOM 1268 O LYS A 82 6.582 -15.790 -8.677 1.00 0.00 O ATOM 1269 CB LYS A 82 4.442 -14.963 -10.684 1.00 0.00 C ATOM 1270 CG LYS A 82 5.069 -13.761 -11.421 1.00 0.00 C ATOM 1271 CD LYS A 82 6.603 -13.793 -11.570 1.00 0.00 C ATOM 1272 CE LYS A 82 7.083 -13.615 -13.020 1.00 0.00 C ATOM 1273 NZ LYS A 82 6.924 -12.243 -13.548 1.00 0.00 N ATOM 0 H LYS A 82 3.243 -13.167 -9.543 1.00 0.00 H new ATOM 0 HA LYS A 82 3.993 -15.731 -8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.985 -15.866 -10.962 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.416 -15.089 -11.029 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.627 -13.698 -12.415 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.793 -12.849 -10.891 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.036 -13.006 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.978 -14.742 -11.186 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.135 -13.895 -13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.533 -14.304 -13.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.270 -12.206 -14.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.919 -11.977 -13.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.471 -11.580 -12.963 1.00 0.00 H new ATOM 1287 N ARG A 83 6.315 -13.646 -8.103 1.00 0.00 N ATOM 1288 CA ARG A 83 7.599 -13.513 -7.417 1.00 0.00 C ATOM 1289 C ARG A 83 7.646 -14.239 -6.069 1.00 0.00 C ATOM 1290 O ARG A 83 8.745 -14.335 -5.512 1.00 0.00 O ATOM 1291 CB ARG A 83 7.957 -12.028 -7.229 1.00 0.00 C ATOM 1292 CG ARG A 83 8.354 -11.307 -8.526 1.00 0.00 C ATOM 1293 CD ARG A 83 9.829 -11.447 -8.915 1.00 0.00 C ATOM 1294 NE ARG A 83 10.222 -12.795 -9.369 1.00 0.00 N ATOM 1295 CZ ARG A 83 11.075 -13.062 -10.365 1.00 0.00 C ATOM 1296 NH1 ARG A 83 11.727 -12.083 -10.981 1.00 0.00 N ATOM 1297 NH2 ARG A 83 11.278 -14.314 -10.749 1.00 0.00 N ATOM 0 H ARG A 83 5.797 -12.770 -8.172 1.00 0.00 H new ATOM 0 HA ARG A 83 8.338 -13.994 -8.058 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.104 -11.513 -6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.779 -11.951 -6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.740 -11.691 -9.341 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.119 -10.248 -8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.051 -10.732 -9.708 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.444 -11.173 -8.058 1.00 0.00 H new ATOM 0 HE ARG A 83 9.809 -13.590 -8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.580 -11.115 -10.696 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.375 -12.299 -11.739 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.784 -15.076 -10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.929 -14.515 -11.508 1.00 0.00 H new