USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 282 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 Single : A 1 GLY N :NH3+ -127:sc= 0.0715 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.241 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 19 THR OG1 : rot -49:sc= 1.1 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= -0.0642 (180deg=-0.343) USER MOD Single : A 36 ASN : amide:sc= -0.302 K(o=-0.3,f=-1.2) USER MOD Single : A 42 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.067) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.199 -1.149 -8.510 1.00 0.00 N ATOM 2 CA GLY A 1 -2.891 -1.028 -7.892 1.00 0.00 C ATOM 3 C GLY A 1 -2.755 0.235 -7.065 1.00 0.00 C ATOM 4 O GLY A 1 -3.747 0.902 -6.770 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.611 -2.074 -8.272 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.820 -0.393 -8.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.104 -1.067 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.711 -1.895 -7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.124 -1.036 -8.667 1.00 0.00 H new ATOM 8 N SER A 2 -1.524 0.563 -6.688 1.00 0.00 N ATOM 9 CA SER A 2 -1.262 1.752 -5.885 1.00 0.00 C ATOM 10 C SER A 2 0.236 2.026 -5.793 1.00 0.00 C ATOM 11 O SER A 2 0.936 1.439 -4.969 1.00 0.00 O ATOM 12 CB SER A 2 -1.848 1.584 -4.481 1.00 0.00 C ATOM 13 OG SER A 2 -1.484 0.334 -3.922 1.00 0.00 O ATOM 0 H SER A 2 -0.692 0.023 -6.925 1.00 0.00 H new ATOM 0 HA SER A 2 -1.740 2.602 -6.372 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.495 2.390 -3.838 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.934 1.664 -4.525 1.00 0.00 H new ATOM 0 HG SER A 2 -0.529 0.174 -4.072 1.00 0.00 H new ATOM 19 N MET A 3 0.720 2.923 -6.645 1.00 0.00 N ATOM 20 CA MET A 3 2.135 3.277 -6.660 1.00 0.00 C ATOM 21 C MET A 3 2.354 4.612 -7.366 1.00 0.00 C ATOM 22 O MET A 3 2.827 4.653 -8.503 1.00 0.00 O ATOM 23 CB MET A 3 2.949 2.182 -7.351 1.00 0.00 C ATOM 24 CG MET A 3 4.428 2.211 -7.000 1.00 0.00 C ATOM 25 SD MET A 3 5.477 1.673 -8.364 1.00 0.00 S ATOM 26 CE MET A 3 5.670 -0.065 -7.979 1.00 0.00 C ATOM 0 H MET A 3 0.154 3.418 -7.334 1.00 0.00 H new ATOM 0 HA MET A 3 2.471 3.373 -5.628 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.539 1.209 -7.079 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.838 2.285 -8.430 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.708 3.223 -6.709 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.605 1.570 -6.136 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.297 -0.538 -8.735 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.139 -0.171 -7.001 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.692 -0.546 -7.966 1.00 0.00 H new ATOM 36 N ILE A 4 2.008 5.699 -6.686 1.00 0.00 N ATOM 37 CA ILE A 4 2.168 7.035 -7.249 1.00 0.00 C ATOM 38 C ILE A 4 2.760 7.996 -6.224 1.00 0.00 C ATOM 39 O ILE A 4 2.891 7.662 -5.045 1.00 0.00 O ATOM 40 CB ILE A 4 0.825 7.599 -7.750 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.251 7.447 -6.673 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.402 6.898 -9.032 1.00 0.00 C ATOM 43 CD1 ILE A 4 -1.460 8.328 -6.897 1.00 0.00 C ATOM 0 H ILE A 4 1.615 5.682 -5.745 1.00 0.00 H new ATOM 0 HA ILE A 4 2.851 6.942 -8.093 1.00 0.00 H new ATOM 0 HB ILE A 4 0.950 8.660 -7.964 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.572 6.406 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.184 7.681 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.549 7.307 -9.374 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.161 7.053 -9.799 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.290 5.830 -8.843 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.181 8.167 -6.095 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.152 9.374 -6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.920 8.079 -7.853 1.00 0.00 H new ATOM 55 N THR A 5 3.115 9.193 -6.679 1.00 0.00 N ATOM 56 CA THR A 5 3.692 10.204 -5.802 1.00 0.00 C ATOM 57 C THR A 5 3.165 11.593 -6.142 1.00 0.00 C ATOM 58 O THR A 5 3.891 12.455 -6.637 1.00 0.00 O ATOM 59 CB THR A 5 5.230 10.215 -5.893 1.00 0.00 C ATOM 60 OG1 THR A 5 5.728 8.872 -5.924 1.00 0.00 O ATOM 61 CG2 THR A 5 5.836 10.959 -4.713 1.00 0.00 C ATOM 0 H THR A 5 3.013 9.486 -7.651 1.00 0.00 H new ATOM 0 HA THR A 5 3.397 9.945 -4.785 1.00 0.00 H new ATOM 0 HB THR A 5 5.515 10.729 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.706 8.887 -5.983 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.923 10.954 -4.799 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.477 11.988 -4.709 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.543 10.469 -3.785 1.00 0.00 H new ATOM 69 N PRO A 6 1.870 11.818 -5.871 1.00 0.00 N ATOM 70 CA PRO A 6 1.217 13.103 -6.140 1.00 0.00 C ATOM 71 C PRO A 6 1.705 14.207 -5.209 1.00 0.00 C ATOM 72 O PRO A 6 1.965 13.968 -4.030 1.00 0.00 O ATOM 73 CB PRO A 6 -0.264 12.807 -5.889 1.00 0.00 C ATOM 74 CG PRO A 6 -0.265 11.660 -4.938 1.00 0.00 C ATOM 75 CD PRO A 6 0.945 10.836 -5.281 1.00 0.00 C ATOM 0 HA PRO A 6 1.429 13.466 -7.146 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.775 13.672 -5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.780 12.554 -6.815 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.220 12.009 -3.906 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.178 11.072 -5.036 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.372 10.362 -4.397 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.703 10.039 -5.984 1.00 0.00 H new ATOM 83 N SER A 7 1.827 15.417 -5.746 1.00 0.00 N ATOM 84 CA SER A 7 2.288 16.558 -4.963 1.00 0.00 C ATOM 85 C SER A 7 1.771 17.866 -5.554 1.00 0.00 C ATOM 86 O SER A 7 2.409 18.912 -5.432 1.00 0.00 O ATOM 87 CB SER A 7 3.816 16.580 -4.906 1.00 0.00 C ATOM 88 OG SER A 7 4.273 16.930 -3.611 1.00 0.00 O ATOM 0 H SER A 7 1.613 15.632 -6.720 1.00 0.00 H new ATOM 0 HA SER A 7 1.895 16.456 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.207 15.601 -5.181 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.200 17.293 -5.636 1.00 0.00 H new ATOM 0 HG SER A 7 5.253 16.936 -3.600 1.00 0.00 H new ATOM 94 N CYS A 8 0.609 17.800 -6.196 1.00 0.00 N ATOM 95 CA CYS A 8 0.004 18.977 -6.807 1.00 0.00 C ATOM 96 C CYS A 8 -1.517 18.855 -6.835 1.00 0.00 C ATOM 97 O CYS A 8 -2.064 17.765 -6.670 1.00 0.00 O ATOM 98 CB CYS A 8 0.537 19.170 -8.228 1.00 0.00 C ATOM 99 SG CYS A 8 0.752 20.914 -8.711 1.00 0.00 S ATOM 0 H CYS A 8 0.067 16.943 -6.306 1.00 0.00 H new ATOM 0 HA CYS A 8 0.270 19.846 -6.205 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.495 18.658 -8.318 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.147 18.691 -8.929 1.00 0.00 H new ATOM 104 N GLN A 9 -2.192 19.981 -7.044 1.00 0.00 N ATOM 105 CA GLN A 9 -3.649 19.999 -7.093 1.00 0.00 C ATOM 106 C GLN A 9 -4.142 20.673 -8.369 1.00 0.00 C ATOM 107 O GLN A 9 -3.360 21.262 -9.116 1.00 0.00 O ATOM 108 CB GLN A 9 -4.212 20.724 -5.869 1.00 0.00 C ATOM 109 CG GLN A 9 -4.006 19.968 -4.566 1.00 0.00 C ATOM 110 CD GLN A 9 -4.548 20.718 -3.365 1.00 0.00 C ATOM 111 OE1 GLN A 9 -4.127 21.838 -3.076 1.00 0.00 O ATOM 112 NE2 GLN A 9 -5.487 20.101 -2.657 1.00 0.00 N ATOM 0 H GLN A 9 -1.754 20.892 -7.182 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.001 18.967 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.741 21.704 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.279 20.894 -6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.494 18.996 -4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.942 19.781 -4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.806 19.172 -2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.889 20.556 -1.837 1.00 0.00 H new ATOM 121 N LYS A 10 -5.445 20.582 -8.615 1.00 0.00 N ATOM 122 CA LYS A 10 -6.044 21.183 -9.800 1.00 0.00 C ATOM 123 C LYS A 10 -5.500 20.539 -11.071 1.00 0.00 C ATOM 124 O LYS A 10 -4.825 19.512 -11.018 1.00 0.00 O ATOM 125 CB LYS A 10 -5.777 22.690 -9.824 1.00 0.00 C ATOM 126 CG LYS A 10 -6.051 23.377 -8.498 1.00 0.00 C ATOM 127 CD LYS A 10 -4.780 23.951 -7.895 1.00 0.00 C ATOM 128 CE LYS A 10 -4.284 25.155 -8.681 1.00 0.00 C ATOM 129 NZ LYS A 10 -4.537 26.432 -7.957 1.00 0.00 N ATOM 0 H LYS A 10 -6.106 20.097 -8.008 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.120 21.012 -9.759 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.738 22.862 -10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.396 23.148 -10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.778 24.176 -8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.495 22.665 -7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.966 24.242 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.006 23.184 -7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.216 25.050 -8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.778 25.184 -9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.185 27.229 -8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.559 26.545 -7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.044 26.415 -7.041 1.00 0.00 H new ATOM 143 N GLY A 11 -5.796 21.151 -12.214 1.00 0.00 N ATOM 144 CA GLY A 11 -5.327 20.624 -13.482 1.00 0.00 C ATOM 145 C GLY A 11 -3.822 20.452 -13.516 1.00 0.00 C ATOM 146 O GLY A 11 -3.297 19.671 -14.311 1.00 0.00 O ATOM 0 H GLY A 11 -6.353 22.003 -12.284 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.804 19.662 -13.671 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.631 21.294 -14.286 1.00 0.00 H new ATOM 150 N TYR A 12 -3.124 21.183 -12.654 1.00 0.00 N ATOM 151 CA TYR A 12 -1.669 21.110 -12.592 1.00 0.00 C ATOM 152 C TYR A 12 -1.213 19.753 -12.066 1.00 0.00 C ATOM 153 O TYR A 12 -1.972 19.043 -11.404 1.00 0.00 O ATOM 154 CB TYR A 12 -1.120 22.226 -11.701 1.00 0.00 C ATOM 155 CG TYR A 12 -1.147 23.590 -12.353 1.00 0.00 C ATOM 156 CD1 TYR A 12 -2.342 24.150 -12.787 1.00 0.00 C ATOM 157 CD2 TYR A 12 0.022 24.318 -12.535 1.00 0.00 C ATOM 158 CE1 TYR A 12 -2.372 25.395 -13.384 1.00 0.00 C ATOM 159 CE2 TYR A 12 0.001 25.565 -13.129 1.00 0.00 C ATOM 160 CZ TYR A 12 -1.198 26.099 -13.552 1.00 0.00 C ATOM 161 OH TYR A 12 -1.223 27.341 -14.145 1.00 0.00 O ATOM 0 H TYR A 12 -3.542 21.833 -11.988 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.281 21.236 -13.603 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.700 22.262 -10.779 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.094 21.986 -11.423 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.263 23.602 -12.655 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.963 23.902 -12.207 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.309 25.815 -13.717 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.919 26.119 -13.261 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.313 27.702 -14.186 1.00 0.00 H new ATOM 171 N PHE A 13 0.032 19.398 -12.364 1.00 0.00 N ATOM 172 CA PHE A 13 0.591 18.125 -11.923 1.00 0.00 C ATOM 173 C PHE A 13 2.081 18.261 -11.622 1.00 0.00 C ATOM 174 O PHE A 13 2.776 19.115 -12.172 1.00 0.00 O ATOM 175 CB PHE A 13 0.370 17.050 -12.988 1.00 0.00 C ATOM 176 CG PHE A 13 1.515 16.917 -13.952 1.00 0.00 C ATOM 177 CD1 PHE A 13 1.821 17.945 -14.829 1.00 0.00 C ATOM 178 CD2 PHE A 13 2.284 15.765 -13.981 1.00 0.00 C ATOM 179 CE1 PHE A 13 2.873 17.826 -15.718 1.00 0.00 C ATOM 180 CE2 PHE A 13 3.337 15.640 -14.867 1.00 0.00 C ATOM 181 CZ PHE A 13 3.633 16.672 -15.736 1.00 0.00 C ATOM 0 H PHE A 13 0.674 19.974 -12.909 1.00 0.00 H new ATOM 0 HA PHE A 13 0.079 17.829 -11.007 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.206 16.091 -12.496 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.538 17.282 -13.544 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.231 18.850 -14.818 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.058 14.955 -13.303 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.101 18.634 -16.398 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.928 14.736 -14.880 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.457 16.577 -16.428 1.00 0.00 H new ATOM 191 N PRO A 14 2.584 17.398 -10.726 1.00 0.00 N ATOM 192 CA PRO A 14 3.995 17.401 -10.331 1.00 0.00 C ATOM 193 C PRO A 14 4.912 16.924 -11.452 1.00 0.00 C ATOM 194 O PRO A 14 4.563 16.019 -12.211 1.00 0.00 O ATOM 195 CB PRO A 14 4.036 16.423 -9.154 1.00 0.00 C ATOM 196 CG PRO A 14 2.876 15.515 -9.375 1.00 0.00 C ATOM 197 CD PRO A 14 1.813 16.354 -10.031 1.00 0.00 C ATOM 0 HA PRO A 14 4.347 18.403 -10.083 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.974 15.869 -9.133 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.953 16.946 -8.201 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.155 14.673 -10.008 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.520 15.100 -8.432 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.211 15.769 -10.726 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.128 16.781 -9.298 1.00 0.00 H new ATOM 205 N CYS A 15 6.087 17.537 -11.550 1.00 0.00 N ATOM 206 CA CYS A 15 7.055 17.175 -12.579 1.00 0.00 C ATOM 207 C CYS A 15 7.713 15.836 -12.259 1.00 0.00 C ATOM 208 O CYS A 15 8.862 15.785 -11.822 1.00 0.00 O ATOM 209 CB CYS A 15 8.123 18.263 -12.708 1.00 0.00 C ATOM 210 SG CYS A 15 7.870 19.389 -14.117 1.00 0.00 S ATOM 0 H CYS A 15 6.392 18.287 -10.929 1.00 0.00 H new ATOM 0 HA CYS A 15 6.524 17.082 -13.526 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.144 18.848 -11.788 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.100 17.789 -12.806 1.00 0.00 H new ATOM 215 N GLY A 16 6.975 14.752 -12.481 1.00 0.00 N ATOM 216 CA GLY A 16 7.503 13.427 -12.212 1.00 0.00 C ATOM 217 C GLY A 16 7.903 13.246 -10.761 1.00 0.00 C ATOM 218 O GLY A 16 7.064 12.949 -9.912 1.00 0.00 O ATOM 0 H GLY A 16 6.021 14.768 -12.842 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.754 12.680 -12.475 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.369 13.248 -12.849 1.00 0.00 H new ATOM 222 N ASN A 17 9.189 13.425 -10.477 1.00 0.00 N ATOM 223 CA ASN A 17 9.699 13.277 -9.118 1.00 0.00 C ATOM 224 C ASN A 17 10.094 14.630 -8.535 1.00 0.00 C ATOM 225 O ASN A 17 10.167 14.797 -7.317 1.00 0.00 O ATOM 226 CB ASN A 17 10.901 12.331 -9.103 1.00 0.00 C ATOM 227 CG ASN A 17 10.656 11.098 -8.255 1.00 0.00 C ATOM 228 OD1 ASN A 17 11.459 10.759 -7.385 1.00 0.00 O ATOM 229 ND2 ASN A 17 9.541 10.420 -8.505 1.00 0.00 N ATOM 0 H ASN A 17 9.897 13.672 -11.169 1.00 0.00 H new ATOM 0 HA ASN A 17 8.905 12.854 -8.502 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.133 12.026 -10.124 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.773 12.862 -8.723 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.322 9.582 -7.966 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.904 10.738 -9.236 1.00 0.00 H new ATOM 236 N LEU A 18 10.348 15.595 -9.413 1.00 0.00 N ATOM 237 CA LEU A 18 10.736 16.935 -8.987 1.00 0.00 C ATOM 238 C LEU A 18 9.632 17.583 -8.157 1.00 0.00 C ATOM 239 O LEU A 18 8.571 16.994 -7.947 1.00 0.00 O ATOM 240 CB LEU A 18 11.054 17.806 -10.203 1.00 0.00 C ATOM 241 CG LEU A 18 12.506 17.787 -10.682 1.00 0.00 C ATOM 242 CD1 LEU A 18 12.669 18.643 -11.928 1.00 0.00 C ATOM 243 CD2 LEU A 18 13.438 18.265 -9.578 1.00 0.00 C ATOM 0 H LEU A 18 10.292 15.474 -10.424 1.00 0.00 H new ATOM 0 HA LEU A 18 11.628 16.849 -8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.416 17.489 -11.028 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.784 18.835 -9.968 1.00 0.00 H new ATOM 0 HG LEU A 18 12.771 16.761 -10.935 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.709 18.617 -12.254 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.030 18.256 -12.722 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.385 19.671 -11.703 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.467 18.245 -9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.173 19.283 -9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.343 17.610 -8.712 1.00 0.00 H new ATOM 255 N THR A 19 9.888 18.800 -7.689 1.00 0.00 N ATOM 256 CA THR A 19 8.917 19.529 -6.883 1.00 0.00 C ATOM 257 C THR A 19 8.273 20.655 -7.684 1.00 0.00 C ATOM 258 O THR A 19 7.755 21.617 -7.117 1.00 0.00 O ATOM 259 CB THR A 19 9.567 20.122 -5.619 1.00 0.00 C ATOM 260 OG1 THR A 19 8.571 20.749 -4.804 1.00 0.00 O ATOM 261 CG2 THR A 19 10.641 21.135 -5.986 1.00 0.00 C ATOM 0 H THR A 19 10.760 19.302 -7.854 1.00 0.00 H new ATOM 0 HA THR A 19 8.151 18.812 -6.587 1.00 0.00 H new ATOM 0 HB THR A 19 10.033 19.309 -5.062 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.018 21.338 -5.358 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.085 21.540 -5.077 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.413 20.647 -6.581 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.195 21.945 -6.564 1.00 0.00 H new ATOM 269 N LYS A 20 8.307 20.529 -9.006 1.00 0.00 N ATOM 270 CA LYS A 20 7.724 21.534 -9.887 1.00 0.00 C ATOM 271 C LYS A 20 6.309 21.142 -10.299 1.00 0.00 C ATOM 272 O LYS A 20 5.951 19.964 -10.283 1.00 0.00 O ATOM 273 CB LYS A 20 8.596 21.719 -11.131 1.00 0.00 C ATOM 274 CG LYS A 20 8.133 22.848 -12.035 1.00 0.00 C ATOM 275 CD LYS A 20 9.249 23.323 -12.951 1.00 0.00 C ATOM 276 CE LYS A 20 8.752 24.363 -13.942 1.00 0.00 C ATOM 277 NZ LYS A 20 9.448 25.669 -13.772 1.00 0.00 N ATOM 0 H LYS A 20 8.733 19.740 -9.492 1.00 0.00 H new ATOM 0 HA LYS A 20 7.676 22.476 -9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.623 21.912 -10.820 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.605 20.789 -11.700 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.287 22.511 -12.635 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.781 23.681 -11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.057 23.745 -12.353 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.664 22.473 -13.492 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.906 23.999 -14.958 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.679 24.504 -13.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.081 26.351 -14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.281 26.029 -12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.469 25.540 -13.920 1.00 0.00 H new ATOM 291 N CYS A 21 5.508 22.136 -10.668 1.00 0.00 N ATOM 292 CA CYS A 21 4.132 21.896 -11.086 1.00 0.00 C ATOM 293 C CYS A 21 3.842 22.576 -12.420 1.00 0.00 C ATOM 294 O CYS A 21 4.038 23.783 -12.570 1.00 0.00 O ATOM 295 CB CYS A 21 3.158 22.402 -10.020 1.00 0.00 C ATOM 296 SG CYS A 21 2.727 21.162 -8.758 1.00 0.00 S ATOM 0 H CYS A 21 5.789 23.116 -10.686 1.00 0.00 H new ATOM 0 HA CYS A 21 3.998 20.821 -11.210 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.595 23.270 -9.527 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.244 22.740 -10.509 1.00 0.00 H new ATOM 301 N LEU A 22 3.373 21.795 -13.387 1.00 0.00 N ATOM 302 CA LEU A 22 3.055 22.321 -14.710 1.00 0.00 C ATOM 303 C LEU A 22 1.558 22.579 -14.847 1.00 0.00 C ATOM 304 O LEU A 22 0.737 22.020 -14.120 1.00 0.00 O ATOM 305 CB LEU A 22 3.517 21.345 -15.793 1.00 0.00 C ATOM 306 CG LEU A 22 4.988 21.443 -16.200 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.551 20.062 -16.502 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.149 22.361 -17.403 1.00 0.00 C ATOM 0 H LEU A 22 3.204 20.795 -13.280 1.00 0.00 H new ATOM 0 HA LEU A 22 3.581 23.267 -14.834 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.323 20.330 -15.446 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.904 21.501 -16.681 1.00 0.00 H new ATOM 0 HG LEU A 22 5.548 21.868 -15.367 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.599 20.151 -16.790 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.471 19.434 -15.615 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.988 19.610 -17.318 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.202 22.419 -17.678 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.576 21.966 -18.242 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.785 23.357 -17.152 1.00 0.00 H new ATOM 320 N PRO A 23 1.192 23.446 -15.803 1.00 0.00 N ATOM 321 CA PRO A 23 -0.208 23.796 -16.061 1.00 0.00 C ATOM 322 C PRO A 23 -0.992 22.639 -16.672 1.00 0.00 C ATOM 323 O PRO A 23 -0.415 21.625 -17.064 1.00 0.00 O ATOM 324 CB PRO A 23 -0.107 24.957 -17.054 1.00 0.00 C ATOM 325 CG PRO A 23 1.203 24.759 -17.735 1.00 0.00 C ATOM 326 CD PRO A 23 2.117 24.150 -16.707 1.00 0.00 C ATOM 0 HA PRO A 23 -0.741 24.047 -15.144 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.931 24.941 -17.768 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.147 25.919 -16.544 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.098 24.104 -18.600 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.601 25.706 -18.098 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.834 23.466 -17.161 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.693 24.911 -16.180 1.00 0.00 H new ATOM 334 N ARG A 24 -2.309 22.799 -16.751 1.00 0.00 N ATOM 335 CA ARG A 24 -3.171 21.767 -17.314 1.00 0.00 C ATOM 336 C ARG A 24 -3.048 21.726 -18.835 1.00 0.00 C ATOM 337 O ARG A 24 -3.284 20.691 -19.458 1.00 0.00 O ATOM 338 CB ARG A 24 -4.627 22.017 -16.916 1.00 0.00 C ATOM 339 CG ARG A 24 -5.269 23.181 -17.653 1.00 0.00 C ATOM 340 CD ARG A 24 -6.093 22.705 -18.838 1.00 0.00 C ATOM 341 NE ARG A 24 -7.166 21.802 -18.431 1.00 0.00 N ATOM 342 CZ ARG A 24 -7.930 21.134 -19.288 1.00 0.00 C ATOM 343 NH1 ARG A 24 -7.740 21.268 -20.594 1.00 0.00 N ATOM 344 NH2 ARG A 24 -8.886 20.330 -18.841 1.00 0.00 N ATOM 0 H ARG A 24 -2.802 23.633 -16.432 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.852 20.804 -16.915 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.207 21.114 -17.106 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.674 22.207 -15.844 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.906 23.740 -16.967 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.494 23.865 -17.999 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.520 23.566 -19.352 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.443 22.198 -19.551 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.338 21.677 -17.433 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.006 21.885 -20.942 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.328 20.754 -21.250 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.035 20.224 -17.838 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.472 19.818 -19.501 1.00 0.00 H new ATOM 358 N ALA A 25 -2.678 22.858 -19.424 1.00 0.00 N ATOM 359 CA ALA A 25 -2.522 22.950 -20.870 1.00 0.00 C ATOM 360 C ALA A 25 -1.317 22.145 -21.345 1.00 0.00 C ATOM 361 O ALA A 25 -1.159 21.891 -22.540 1.00 0.00 O ATOM 362 CB ALA A 25 -2.387 24.405 -21.295 1.00 0.00 C ATOM 0 H ALA A 25 -2.481 23.724 -18.922 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.414 22.528 -21.334 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.271 24.459 -22.377 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.280 24.955 -20.998 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.513 24.845 -20.814 1.00 0.00 H new ATOM 368 N PHE A 26 -0.468 21.747 -20.403 1.00 0.00 N ATOM 369 CA PHE A 26 0.724 20.972 -20.726 1.00 0.00 C ATOM 370 C PHE A 26 0.367 19.749 -21.566 1.00 0.00 C ATOM 371 O PHE A 26 1.191 19.244 -22.328 1.00 0.00 O ATOM 372 CB PHE A 26 1.436 20.535 -19.444 1.00 0.00 C ATOM 373 CG PHE A 26 0.945 19.222 -18.904 1.00 0.00 C ATOM 374 CD1 PHE A 26 -0.356 19.088 -18.448 1.00 0.00 C ATOM 375 CD2 PHE A 26 1.786 18.122 -18.852 1.00 0.00 C ATOM 376 CE1 PHE A 26 -0.811 17.881 -17.951 1.00 0.00 C ATOM 377 CE2 PHE A 26 1.337 16.912 -18.356 1.00 0.00 C ATOM 378 CZ PHE A 26 0.037 16.792 -17.904 1.00 0.00 C ATOM 0 H PHE A 26 -0.584 21.949 -19.410 1.00 0.00 H new ATOM 0 HA PHE A 26 1.393 21.606 -21.307 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.506 20.461 -19.639 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.303 21.304 -18.683 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.023 19.937 -18.481 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.804 18.211 -19.203 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.828 17.790 -17.600 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.002 16.062 -18.322 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.315 15.848 -17.515 1.00 0.00 H new ATOM 388 N HIS A 27 -0.867 19.278 -21.419 1.00 0.00 N ATOM 389 CA HIS A 27 -1.335 18.114 -22.163 1.00 0.00 C ATOM 390 C HIS A 27 -1.184 18.334 -23.666 1.00 0.00 C ATOM 391 O HIS A 27 -2.007 19.002 -24.292 1.00 0.00 O ATOM 392 CB HIS A 27 -2.796 17.818 -21.824 1.00 0.00 C ATOM 393 CG HIS A 27 -3.433 16.819 -22.740 1.00 0.00 C ATOM 394 ND1 HIS A 27 -3.370 15.458 -22.529 1.00 0.00 N ATOM 395 CD2 HIS A 27 -4.151 16.990 -23.874 1.00 0.00 C ATOM 396 CE1 HIS A 27 -4.020 14.834 -23.496 1.00 0.00 C ATOM 397 NE2 HIS A 27 -4.504 15.741 -24.325 1.00 0.00 N ATOM 0 H HIS A 27 -1.561 19.684 -20.792 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.723 17.259 -21.874 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.855 17.449 -20.800 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.365 18.747 -21.861 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.400 17.933 -24.338 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.136 13.764 -23.592 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.051 15.546 -25.164 1.00 0.00 H new ATOM 405 N CYS A 28 -0.127 17.768 -24.238 1.00 0.00 N ATOM 406 CA CYS A 28 0.134 17.902 -25.666 1.00 0.00 C ATOM 407 C CYS A 28 0.094 19.367 -26.091 1.00 0.00 C ATOM 408 O CYS A 28 -0.923 19.852 -26.588 1.00 0.00 O ATOM 409 CB CYS A 28 -0.890 17.098 -26.470 1.00 0.00 C ATOM 410 SG CYS A 28 -0.507 15.322 -26.597 1.00 0.00 S ATOM 0 H CYS A 28 0.563 17.212 -23.734 1.00 0.00 H new ATOM 0 HA CYS A 28 1.132 17.511 -25.866 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.871 17.215 -26.009 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.958 17.517 -27.474 1.00 0.00 H new ATOM 415 N ASP A 29 1.206 20.065 -25.892 1.00 0.00 N ATOM 416 CA ASP A 29 1.300 21.474 -26.256 1.00 0.00 C ATOM 417 C ASP A 29 2.144 21.657 -27.513 1.00 0.00 C ATOM 418 O ASP A 29 1.784 22.418 -28.410 1.00 0.00 O ATOM 419 CB ASP A 29 1.898 22.282 -25.103 1.00 0.00 C ATOM 420 CG ASP A 29 3.288 21.808 -24.725 1.00 0.00 C ATOM 421 OD1 ASP A 29 3.410 20.676 -24.212 1.00 0.00 O ATOM 422 OD2 ASP A 29 4.253 22.570 -24.942 1.00 0.00 O ATOM 0 H ASP A 29 2.055 19.678 -25.480 1.00 0.00 H new ATOM 0 HA ASP A 29 0.293 21.838 -26.461 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.940 23.334 -25.384 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.244 22.210 -24.234 1.00 0.00 H new ATOM 427 N GLY A 30 3.271 20.953 -27.570 1.00 0.00 N ATOM 428 CA GLY A 30 4.150 21.052 -28.721 1.00 0.00 C ATOM 429 C GLY A 30 5.524 20.473 -28.452 1.00 0.00 C ATOM 430 O GLY A 30 6.106 19.809 -29.310 1.00 0.00 O ATOM 0 H GLY A 30 3.591 20.316 -26.840 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.698 20.531 -29.565 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.250 22.098 -29.009 1.00 0.00 H new ATOM 434 N LYS A 31 6.048 20.725 -27.257 1.00 0.00 N ATOM 435 CA LYS A 31 7.363 20.225 -26.876 1.00 0.00 C ATOM 436 C LYS A 31 7.476 20.090 -25.361 1.00 0.00 C ATOM 437 O LYS A 31 6.501 20.291 -24.636 1.00 0.00 O ATOM 438 CB LYS A 31 8.457 21.159 -27.398 1.00 0.00 C ATOM 439 CG LYS A 31 8.302 22.597 -26.934 1.00 0.00 C ATOM 440 CD LYS A 31 9.611 23.155 -26.401 1.00 0.00 C ATOM 441 CE LYS A 31 10.350 23.954 -27.464 1.00 0.00 C ATOM 442 NZ LYS A 31 9.633 25.213 -27.810 1.00 0.00 N ATOM 0 H LYS A 31 5.581 21.273 -26.535 1.00 0.00 H new ATOM 0 HA LYS A 31 7.492 19.239 -27.322 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.428 20.784 -27.074 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.454 21.135 -28.488 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.954 23.212 -27.764 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.540 22.649 -26.157 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.412 23.791 -25.539 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.242 22.337 -26.055 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.352 24.193 -27.108 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.467 23.345 -28.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.306 25.896 -28.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.889 25.008 -28.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.203 25.614 -26.952 1.00 0.00 H new ATOM 456 N ASP A 32 8.670 19.750 -24.889 1.00 0.00 N ATOM 457 CA ASP A 32 8.911 19.591 -23.460 1.00 0.00 C ATOM 458 C ASP A 32 8.455 20.827 -22.691 1.00 0.00 C ATOM 459 O ASP A 32 8.659 21.957 -23.135 1.00 0.00 O ATOM 460 CB ASP A 32 10.395 19.329 -23.197 1.00 0.00 C ATOM 461 CG ASP A 32 10.982 18.311 -24.154 1.00 0.00 C ATOM 462 OD1 ASP A 32 11.144 18.643 -25.347 1.00 0.00 O ATOM 463 OD2 ASP A 32 11.278 17.181 -23.711 1.00 0.00 O ATOM 0 H ASP A 32 9.487 19.579 -25.476 1.00 0.00 H new ATOM 0 HA ASP A 32 8.332 18.735 -23.112 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.947 20.265 -23.283 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.523 18.977 -22.173 1.00 0.00 H new ATOM 468 N ASP A 33 7.837 20.605 -21.536 1.00 0.00 N ATOM 469 CA ASP A 33 7.352 21.700 -20.705 1.00 0.00 C ATOM 470 C ASP A 33 8.139 21.782 -19.401 1.00 0.00 C ATOM 471 O ASP A 33 8.360 22.868 -18.863 1.00 0.00 O ATOM 472 CB ASP A 33 5.863 21.522 -20.407 1.00 0.00 C ATOM 473 CG ASP A 33 5.059 21.191 -21.649 1.00 0.00 C ATOM 474 OD1 ASP A 33 5.413 21.694 -22.736 1.00 0.00 O ATOM 475 OD2 ASP A 33 4.077 20.429 -21.534 1.00 0.00 O ATOM 0 H ASP A 33 7.660 19.676 -21.154 1.00 0.00 H new ATOM 0 HA ASP A 33 7.495 22.631 -21.254 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.735 20.727 -19.672 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.473 22.436 -19.959 1.00 0.00 H new ATOM 480 N CYS A 34 8.559 20.627 -18.895 1.00 0.00 N ATOM 481 CA CYS A 34 9.320 20.567 -17.653 1.00 0.00 C ATOM 482 C CYS A 34 10.802 20.818 -17.911 1.00 0.00 C ATOM 483 O CYS A 34 11.362 21.814 -17.454 1.00 0.00 O ATOM 484 CB CYS A 34 9.131 19.205 -16.981 1.00 0.00 C ATOM 485 SG CYS A 34 9.531 19.191 -15.204 1.00 0.00 S ATOM 0 H CYS A 34 8.385 19.719 -19.327 1.00 0.00 H new ATOM 0 HA CYS A 34 8.948 21.347 -16.989 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.097 18.888 -17.112 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.757 18.471 -17.489 1.00 0.00 H new ATOM 490 N GLY A 35 11.433 19.908 -18.647 1.00 0.00 N ATOM 491 CA GLY A 35 12.844 20.049 -18.953 1.00 0.00 C ATOM 492 C GLY A 35 13.657 18.851 -18.506 1.00 0.00 C ATOM 493 O GLY A 35 14.802 18.679 -18.922 1.00 0.00 O ATOM 0 H GLY A 35 10.991 19.075 -19.037 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.967 20.188 -20.027 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.229 20.947 -18.469 1.00 0.00 H new ATOM 497 N ASN A 36 13.065 18.020 -17.654 1.00 0.00 N ATOM 498 CA ASN A 36 13.743 16.832 -17.148 1.00 0.00 C ATOM 499 C ASN A 36 13.377 15.603 -17.976 1.00 0.00 C ATOM 500 O ASN A 36 14.166 14.667 -18.098 1.00 0.00 O ATOM 501 CB ASN A 36 13.380 16.598 -15.680 1.00 0.00 C ATOM 502 CG ASN A 36 13.694 15.186 -15.225 1.00 0.00 C ATOM 503 OD1 ASN A 36 14.752 14.642 -15.539 1.00 0.00 O ATOM 504 ND2 ASN A 36 12.772 14.587 -14.480 1.00 0.00 N ATOM 0 H ASN A 36 12.117 18.148 -17.300 1.00 0.00 H new ATOM 0 HA ASN A 36 14.818 16.996 -17.228 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.924 17.307 -15.056 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.318 16.796 -15.535 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.927 13.637 -14.143 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.909 15.077 -14.244 1.00 0.00 H new ATOM 511 N GLY A 37 12.174 15.614 -18.542 1.00 0.00 N ATOM 512 CA GLY A 37 11.725 14.496 -19.351 1.00 0.00 C ATOM 513 C GLY A 37 10.635 13.690 -18.672 1.00 0.00 C ATOM 514 O GLY A 37 10.683 12.461 -18.653 1.00 0.00 O ATOM 0 H GLY A 37 11.503 16.377 -18.455 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.356 14.868 -20.307 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.572 13.845 -19.568 1.00 0.00 H new ATOM 518 N ALA A 38 9.650 14.384 -18.111 1.00 0.00 N ATOM 519 CA ALA A 38 8.544 13.725 -17.428 1.00 0.00 C ATOM 520 C ALA A 38 7.204 14.132 -18.033 1.00 0.00 C ATOM 521 O ALA A 38 6.392 13.281 -18.395 1.00 0.00 O ATOM 522 CB ALA A 38 8.573 14.049 -15.942 1.00 0.00 C ATOM 0 H ALA A 38 9.596 15.403 -18.116 1.00 0.00 H new ATOM 0 HA ALA A 38 8.660 12.649 -17.557 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.741 13.550 -15.445 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.513 13.703 -15.512 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.485 15.127 -15.803 1.00 0.00 H new ATOM 528 N ASP A 39 6.981 15.437 -18.140 1.00 0.00 N ATOM 529 CA ASP A 39 5.740 15.957 -18.702 1.00 0.00 C ATOM 530 C ASP A 39 5.556 15.487 -20.142 1.00 0.00 C ATOM 531 O ASP A 39 4.431 15.339 -20.617 1.00 0.00 O ATOM 532 CB ASP A 39 5.730 17.485 -18.646 1.00 0.00 C ATOM 533 CG ASP A 39 6.589 18.109 -19.729 1.00 0.00 C ATOM 534 OD1 ASP A 39 7.831 18.069 -19.598 1.00 0.00 O ATOM 535 OD2 ASP A 39 6.020 18.637 -20.707 1.00 0.00 O ATOM 0 H ASP A 39 7.643 16.154 -17.845 1.00 0.00 H new ATOM 0 HA ASP A 39 4.912 15.574 -18.105 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.705 17.843 -18.748 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.087 17.812 -17.669 1.00 0.00 H new ATOM 540 N GLU A 40 6.670 15.255 -20.830 1.00 0.00 N ATOM 541 CA GLU A 40 6.631 14.803 -22.216 1.00 0.00 C ATOM 542 C GLU A 40 5.728 13.582 -22.365 1.00 0.00 C ATOM 543 O GLU A 40 5.059 13.413 -23.384 1.00 0.00 O ATOM 544 CB GLU A 40 8.041 14.472 -22.708 1.00 0.00 C ATOM 545 CG GLU A 40 8.887 15.700 -23.001 1.00 0.00 C ATOM 546 CD GLU A 40 8.455 16.417 -24.265 1.00 0.00 C ATOM 547 OE1 GLU A 40 7.347 16.991 -24.273 1.00 0.00 O ATOM 548 OE2 GLU A 40 9.227 16.405 -25.247 1.00 0.00 O ATOM 0 H GLU A 40 7.609 15.372 -20.451 1.00 0.00 H new ATOM 0 HA GLU A 40 6.223 15.611 -22.823 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.546 13.864 -21.957 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.969 13.867 -23.612 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.826 16.388 -22.158 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.932 15.403 -23.095 1.00 0.00 H new ATOM 555 N GLU A 41 5.717 12.733 -21.341 1.00 0.00 N ATOM 556 CA GLU A 41 4.898 11.527 -21.359 1.00 0.00 C ATOM 557 C GLU A 41 3.418 11.872 -21.227 1.00 0.00 C ATOM 558 O GLU A 41 3.033 13.038 -21.297 1.00 0.00 O ATOM 559 CB GLU A 41 5.316 10.583 -20.230 1.00 0.00 C ATOM 560 CG GLU A 41 6.818 10.373 -20.136 1.00 0.00 C ATOM 561 CD GLU A 41 7.406 9.793 -21.408 1.00 0.00 C ATOM 562 OE1 GLU A 41 7.491 10.530 -22.412 1.00 0.00 O ATOM 563 OE2 GLU A 41 7.782 8.602 -21.399 1.00 0.00 O ATOM 0 H GLU A 41 6.265 12.858 -20.490 1.00 0.00 H new ATOM 0 HA GLU A 41 5.053 11.028 -22.316 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.953 10.981 -19.282 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.831 9.618 -20.377 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.301 11.325 -19.918 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.037 9.706 -19.302 1.00 0.00 H new ATOM 570 N ASN A 42 2.592 10.848 -21.036 1.00 0.00 N ATOM 571 CA ASN A 42 1.154 11.041 -20.894 1.00 0.00 C ATOM 572 C ASN A 42 0.554 11.617 -22.174 1.00 0.00 C ATOM 573 O ASN A 42 -0.558 12.145 -22.169 1.00 0.00 O ATOM 574 CB ASN A 42 0.857 11.971 -19.716 1.00 0.00 C ATOM 575 CG ASN A 42 1.651 11.606 -18.477 1.00 0.00 C ATOM 576 OD1 ASN A 42 1.290 10.687 -17.742 1.00 0.00 O ATOM 577 ND2 ASN A 42 2.741 12.327 -18.240 1.00 0.00 N ATOM 0 H ASN A 42 2.895 9.876 -20.976 1.00 0.00 H new ATOM 0 HA ASN A 42 0.699 10.069 -20.705 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.085 12.998 -20.001 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.208 11.933 -19.486 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.316 12.128 -17.422 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.003 13.080 -18.876 1.00 0.00 H new ATOM 584 N CYS A 43 1.299 11.510 -23.270 1.00 0.00 N ATOM 585 CA CYS A 43 0.842 12.019 -24.557 1.00 0.00 C ATOM 586 C CYS A 43 1.503 11.261 -25.706 1.00 0.00 C ATOM 587 O CYS A 43 1.597 11.767 -26.824 1.00 0.00 O ATOM 588 CB CYS A 43 1.147 13.513 -24.676 1.00 0.00 C ATOM 589 SG CYS A 43 -0.336 14.569 -24.758 1.00 0.00 S ATOM 0 H CYS A 43 2.221 11.075 -23.292 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.236 11.869 -24.617 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.751 13.819 -23.822 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.749 13.680 -25.569 1.00 0.00 H new ATOM 594 N GLY A 44 1.958 10.045 -25.422 1.00 0.00 N ATOM 595 CA GLY A 44 2.603 9.237 -26.441 1.00 0.00 C ATOM 596 C GLY A 44 1.606 8.507 -27.319 1.00 0.00 C ATOM 597 O GLY A 44 1.208 9.047 -28.350 1.00 0.00 O ATOM 0 H GLY A 44 1.892 9.605 -24.504 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.231 9.875 -27.063 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.261 8.511 -25.963 1.00 0.00 H new TER 601 GLY A 44 HETATM 602 CA CA A 101 4.682 18.091 -23.351 1.00 0.00 CA