USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 419 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 30 ASN : amide:sc= -3.81! C(o=-3.8!,f=-6.9!) USER MOD Set 1.2: A 51 MET CE :methyl 162:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.106 K(o=-0.11,f=-2.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -74:sc= -0.167! USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -69:sc= 0.923 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.3) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -122:sc= 1.08 (180deg=-0.0847) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -2.57! USER MOD Single : A 57 GLN : amide:sc= -0.0928 K(o=-0.093,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 22.791 -7.812 -7.180 1.00 0.00 N ATOM 2 CA ALA A 1 21.536 -7.308 -6.553 1.00 0.00 C ATOM 3 C ALA A 1 21.620 -5.790 -6.387 1.00 0.00 C ATOM 4 O ALA A 1 22.191 -5.289 -5.439 1.00 0.00 O ATOM 5 CB ALA A 1 21.352 -7.961 -5.181 1.00 0.00 C ATOM 0 H1 ALA A 1 22.733 -8.844 -7.292 1.00 0.00 H new ATOM 0 H2 ALA A 1 22.915 -7.369 -8.113 1.00 0.00 H new ATOM 0 H3 ALA A 1 23.602 -7.575 -6.573 1.00 0.00 H new ATOM 0 HA ALA A 1 20.688 -7.557 -7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.434 -7.592 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.290 -9.043 -5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 1 22.201 -7.713 -4.543 1.00 0.00 H new ATOM 13 N GLN A 2 21.054 -5.053 -7.303 1.00 0.00 N ATOM 14 CA GLN A 2 21.103 -3.567 -7.199 1.00 0.00 C ATOM 15 C GLN A 2 20.046 -2.960 -8.123 1.00 0.00 C ATOM 16 O GLN A 2 20.360 -2.379 -9.143 1.00 0.00 O ATOM 17 CB GLN A 2 22.489 -3.074 -7.615 1.00 0.00 C ATOM 18 CG GLN A 2 23.016 -2.090 -6.572 1.00 0.00 C ATOM 19 CD GLN A 2 22.681 -0.661 -7.003 1.00 0.00 C ATOM 20 OE1 GLN A 2 21.770 -0.446 -7.777 1.00 0.00 O ATOM 21 NE2 GLN A 2 23.383 0.331 -6.531 1.00 0.00 N ATOM 0 H GLN A 2 20.560 -5.415 -8.119 1.00 0.00 H new ATOM 0 HA GLN A 2 20.904 -3.265 -6.171 1.00 0.00 H new ATOM 0 HB2 GLN A 2 23.172 -3.918 -7.712 1.00 0.00 H new ATOM 0 HB3 GLN A 2 22.437 -2.592 -8.591 1.00 0.00 H new ATOM 0 HG2 GLN A 2 22.571 -2.302 -5.600 1.00 0.00 H new ATOM 0 HG3 GLN A 2 24.094 -2.204 -6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 2 24.148 0.151 -5.881 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.167 1.288 -6.812 1.00 0.00 H new ATOM 30 N GLU A 3 18.795 -3.093 -7.778 1.00 0.00 N ATOM 31 CA GLU A 3 17.721 -2.527 -8.642 1.00 0.00 C ATOM 32 C GLU A 3 16.663 -1.845 -7.768 1.00 0.00 C ATOM 33 O GLU A 3 15.531 -2.284 -7.714 1.00 0.00 O ATOM 34 CB GLU A 3 17.067 -3.656 -9.442 1.00 0.00 C ATOM 35 CG GLU A 3 16.670 -4.788 -8.493 1.00 0.00 C ATOM 36 CD GLU A 3 17.829 -5.780 -8.365 1.00 0.00 C ATOM 37 OE1 GLU A 3 18.458 -6.056 -9.372 1.00 0.00 O ATOM 38 OE2 GLU A 3 18.065 -6.245 -7.262 1.00 0.00 O ATOM 0 H GLU A 3 18.470 -3.569 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 3 18.153 -1.795 -9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 3 16.188 -3.282 -9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.757 -4.027 -10.199 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.415 -4.383 -7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 3 15.782 -5.297 -8.869 1.00 0.00 H new ATOM 45 N PRO A 4 17.065 -0.787 -7.111 1.00 0.00 N ATOM 46 CA PRO A 4 16.172 -0.014 -6.232 1.00 0.00 C ATOM 47 C PRO A 4 15.265 0.898 -7.062 1.00 0.00 C ATOM 48 O PRO A 4 14.514 1.691 -6.530 1.00 0.00 O ATOM 49 CB PRO A 4 17.138 0.811 -5.377 1.00 0.00 C ATOM 50 CG PRO A 4 18.461 0.900 -6.175 1.00 0.00 C ATOM 51 CD PRO A 4 18.446 -0.266 -7.184 1.00 0.00 C ATOM 0 HA PRO A 4 15.509 -0.640 -5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 4 16.734 1.805 -5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 4 17.300 0.338 -4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 4 18.539 1.857 -6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 4 19.321 0.825 -5.509 1.00 0.00 H new ATOM 0 HD2 PRO A 4 18.691 0.074 -8.190 1.00 0.00 H new ATOM 0 HD3 PRO A 4 19.176 -1.032 -6.920 1.00 0.00 H new ATOM 59 N VAL A 5 15.332 0.795 -8.362 1.00 0.00 N ATOM 60 CA VAL A 5 14.474 1.658 -9.222 1.00 0.00 C ATOM 61 C VAL A 5 13.055 1.699 -8.649 1.00 0.00 C ATOM 62 O VAL A 5 12.707 0.935 -7.771 1.00 0.00 O ATOM 63 CB VAL A 5 14.435 1.095 -10.645 1.00 0.00 C ATOM 64 CG1 VAL A 5 13.751 -0.274 -10.635 1.00 0.00 C ATOM 65 CG2 VAL A 5 13.645 2.049 -11.545 1.00 0.00 C ATOM 0 H VAL A 5 15.943 0.151 -8.865 1.00 0.00 H new ATOM 0 HA VAL A 5 14.887 2.667 -9.246 1.00 0.00 H new ATOM 0 HB VAL A 5 15.452 0.990 -11.023 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.723 -0.674 -11.648 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.308 -0.954 -9.991 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.733 -0.170 -10.258 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.615 1.651 -12.559 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.628 2.150 -11.165 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.128 3.026 -11.552 1.00 0.00 H new ATOM 75 N LYS A 6 12.232 2.585 -9.138 1.00 0.00 N ATOM 76 CA LYS A 6 10.840 2.673 -8.619 1.00 0.00 C ATOM 77 C LYS A 6 9.869 2.099 -9.656 1.00 0.00 C ATOM 78 O LYS A 6 10.200 1.193 -10.393 1.00 0.00 O ATOM 79 CB LYS A 6 10.491 4.138 -8.341 1.00 0.00 C ATOM 80 CG LYS A 6 10.457 4.922 -9.654 1.00 0.00 C ATOM 81 CD LYS A 6 9.561 6.151 -9.492 1.00 0.00 C ATOM 82 CE LYS A 6 10.269 7.189 -8.618 1.00 0.00 C ATOM 83 NZ LYS A 6 11.149 8.037 -9.469 1.00 0.00 N ATOM 0 H LYS A 6 12.464 3.251 -9.874 1.00 0.00 H new ATOM 0 HA LYS A 6 10.759 2.101 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.523 4.203 -7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.227 4.574 -7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.465 5.228 -9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.082 4.289 -10.458 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.332 6.578 -10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.612 5.865 -9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.535 7.809 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.859 6.691 -7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.630 8.743 -8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.858 7.439 -9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.574 8.523 -10.187 1.00 0.00 H new ATOM 97 N GLY A 7 8.674 2.619 -9.716 1.00 0.00 N ATOM 98 CA GLY A 7 7.681 2.102 -10.700 1.00 0.00 C ATOM 99 C GLY A 7 6.319 1.962 -10.016 1.00 0.00 C ATOM 100 O GLY A 7 6.025 0.941 -9.432 1.00 0.00 O ATOM 0 H GLY A 7 8.342 3.381 -9.125 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.606 2.781 -11.550 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.006 1.137 -11.090 1.00 0.00 H new ATOM 104 N PRO A 8 5.529 3.000 -10.106 1.00 0.00 N ATOM 105 CA PRO A 8 4.190 3.029 -9.495 1.00 0.00 C ATOM 106 C PRO A 8 3.201 2.209 -10.317 1.00 0.00 C ATOM 107 O PRO A 8 3.414 1.947 -11.483 1.00 0.00 O ATOM 108 CB PRO A 8 3.821 4.515 -9.507 1.00 0.00 C ATOM 109 CG PRO A 8 4.692 5.172 -10.603 1.00 0.00 C ATOM 110 CD PRO A 8 5.894 4.235 -10.829 1.00 0.00 C ATOM 0 HA PRO A 8 4.169 2.599 -8.494 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.761 4.650 -9.721 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.011 4.970 -8.535 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.123 5.302 -11.524 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.025 6.162 -10.292 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.056 4.043 -11.890 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.815 4.668 -10.439 1.00 0.00 H new ATOM 118 N VAL A 9 2.122 1.805 -9.703 1.00 0.00 N ATOM 119 CA VAL A 9 1.100 1.002 -10.424 1.00 0.00 C ATOM 120 C VAL A 9 1.785 -0.023 -11.334 1.00 0.00 C ATOM 121 O VAL A 9 1.596 -0.028 -12.534 1.00 0.00 O ATOM 122 CB VAL A 9 0.227 1.944 -11.254 1.00 0.00 C ATOM 123 CG1 VAL A 9 1.109 2.760 -12.201 1.00 0.00 C ATOM 124 CG2 VAL A 9 -0.773 1.127 -12.069 1.00 0.00 C ATOM 0 H VAL A 9 1.905 2.000 -8.725 1.00 0.00 H new ATOM 0 HA VAL A 9 0.479 0.465 -9.707 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.311 2.619 -10.588 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.485 3.431 -12.792 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.822 3.345 -11.620 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.649 2.086 -12.867 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.395 1.799 -12.661 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.235 0.451 -12.734 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.404 0.547 -11.395 1.00 0.00 H new ATOM 134 N SER A 10 2.578 -0.892 -10.769 1.00 0.00 N ATOM 135 CA SER A 10 3.274 -1.922 -11.594 1.00 0.00 C ATOM 136 C SER A 10 3.565 -3.152 -10.731 1.00 0.00 C ATOM 137 O SER A 10 2.983 -3.336 -9.679 1.00 0.00 O ATOM 138 CB SER A 10 4.592 -1.353 -12.125 1.00 0.00 C ATOM 139 OG SER A 10 4.696 0.016 -11.761 1.00 0.00 O ATOM 0 H SER A 10 2.775 -0.934 -9.769 1.00 0.00 H new ATOM 0 HA SER A 10 2.637 -2.203 -12.433 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.433 -1.914 -11.718 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.635 -1.457 -13.209 1.00 0.00 H new ATOM 0 HG SER A 10 4.093 0.550 -12.320 1.00 0.00 H new ATOM 145 N THR A 11 4.462 -3.994 -11.164 1.00 0.00 N ATOM 146 CA THR A 11 4.790 -5.207 -10.364 1.00 0.00 C ATOM 147 C THR A 11 5.594 -4.798 -9.128 1.00 0.00 C ATOM 148 O THR A 11 5.550 -5.447 -8.104 1.00 0.00 O ATOM 149 CB THR A 11 5.618 -6.169 -11.217 1.00 0.00 C ATOM 150 OG1 THR A 11 4.888 -6.511 -12.386 1.00 0.00 O ATOM 151 CG2 THR A 11 5.922 -7.435 -10.414 1.00 0.00 C ATOM 0 H THR A 11 4.981 -3.895 -12.036 1.00 0.00 H new ATOM 0 HA THR A 11 3.869 -5.699 -10.052 1.00 0.00 H new ATOM 0 HB THR A 11 6.554 -5.689 -11.501 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.418 -7.126 -12.934 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.512 -8.119 -11.023 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.483 -7.171 -9.518 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.987 -7.918 -10.128 1.00 0.00 H new ATOM 159 N LYS A 12 6.325 -3.721 -9.217 1.00 0.00 N ATOM 160 CA LYS A 12 7.127 -3.264 -8.049 1.00 0.00 C ATOM 161 C LYS A 12 6.608 -1.893 -7.596 1.00 0.00 C ATOM 162 O LYS A 12 6.792 -0.914 -8.290 1.00 0.00 O ATOM 163 CB LYS A 12 8.597 -3.144 -8.458 1.00 0.00 C ATOM 164 CG LYS A 12 9.148 -4.532 -8.794 1.00 0.00 C ATOM 165 CD LYS A 12 10.501 -4.388 -9.498 1.00 0.00 C ATOM 166 CE LYS A 12 10.431 -5.049 -10.875 1.00 0.00 C ATOM 167 NZ LYS A 12 11.786 -5.045 -11.498 1.00 0.00 N ATOM 0 H LYS A 12 6.401 -3.137 -10.050 1.00 0.00 H new ATOM 0 HA LYS A 12 7.037 -3.981 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.693 -2.484 -9.320 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.175 -2.697 -7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.261 -5.120 -7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.448 -5.068 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.759 -3.334 -9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.286 -4.851 -8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.065 -6.072 -10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.725 -4.515 -11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.739 -5.495 -12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.118 -4.065 -11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.448 -5.573 -10.894 1.00 0.00 H new ATOM 181 N PRO A 13 5.964 -1.859 -6.454 1.00 0.00 N ATOM 182 CA PRO A 13 5.397 -0.612 -5.902 1.00 0.00 C ATOM 183 C PRO A 13 6.493 0.287 -5.325 1.00 0.00 C ATOM 184 O PRO A 13 7.669 -0.003 -5.425 1.00 0.00 O ATOM 185 CB PRO A 13 4.446 -1.102 -4.806 1.00 0.00 C ATOM 186 CG PRO A 13 4.929 -2.517 -4.410 1.00 0.00 C ATOM 187 CD PRO A 13 5.748 -3.048 -5.602 1.00 0.00 C ATOM 0 HA PRO A 13 4.894 -0.007 -6.656 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.464 -0.431 -3.947 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.418 -1.129 -5.167 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.538 -2.481 -3.506 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.083 -3.171 -4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.694 -3.480 -5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.210 -3.829 -6.138 1.00 0.00 H new ATOM 195 N GLY A 14 6.112 1.384 -4.726 1.00 0.00 N ATOM 196 CA GLY A 14 7.119 2.316 -4.145 1.00 0.00 C ATOM 197 C GLY A 14 7.677 1.733 -2.846 1.00 0.00 C ATOM 198 O GLY A 14 8.166 0.621 -2.813 1.00 0.00 O ATOM 0 H GLY A 14 5.141 1.675 -4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.928 2.482 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.661 3.286 -3.952 1.00 0.00 H new ATOM 202 N SER A 15 7.613 2.477 -1.773 1.00 0.00 N ATOM 203 CA SER A 15 8.147 1.960 -0.482 1.00 0.00 C ATOM 204 C SER A 15 6.988 1.657 0.470 1.00 0.00 C ATOM 205 O SER A 15 6.752 2.375 1.420 1.00 0.00 O ATOM 206 CB SER A 15 9.059 3.013 0.148 1.00 0.00 C ATOM 207 OG SER A 15 9.288 2.681 1.510 1.00 0.00 O ATOM 0 H SER A 15 7.216 3.416 -1.736 1.00 0.00 H new ATOM 0 HA SER A 15 8.713 1.047 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.005 3.060 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.600 3.999 0.074 1.00 0.00 H new ATOM 0 HG SER A 15 8.459 2.800 2.019 1.00 0.00 H new ATOM 213 N CYS A 16 6.263 0.598 0.226 1.00 0.00 N ATOM 214 CA CYS A 16 5.128 0.258 1.120 1.00 0.00 C ATOM 215 C CYS A 16 5.661 0.033 2.546 1.00 0.00 C ATOM 216 O CYS A 16 6.811 -0.308 2.728 1.00 0.00 O ATOM 217 CB CYS A 16 4.441 -1.007 0.604 1.00 0.00 C ATOM 218 SG CYS A 16 4.000 -0.799 -1.145 1.00 0.00 S ATOM 0 H CYS A 16 6.410 -0.043 -0.554 1.00 0.00 H new ATOM 0 HA CYS A 16 4.404 1.073 1.134 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.103 -1.865 0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.546 -1.211 1.192 1.00 0.00 H new ATOM 223 N PRO A 17 4.804 0.257 3.514 1.00 0.00 N ATOM 224 CA PRO A 17 5.146 0.116 4.943 1.00 0.00 C ATOM 225 C PRO A 17 5.065 -1.351 5.392 1.00 0.00 C ATOM 226 O PRO A 17 5.149 -2.263 4.593 1.00 0.00 O ATOM 227 CB PRO A 17 4.070 0.955 5.641 1.00 0.00 C ATOM 228 CG PRO A 17 2.875 1.043 4.661 1.00 0.00 C ATOM 229 CD PRO A 17 3.414 0.671 3.270 1.00 0.00 C ATOM 0 HA PRO A 17 6.162 0.437 5.170 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.767 0.493 6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.448 1.949 5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.078 0.363 4.961 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.452 2.048 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.833 -0.134 2.821 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.366 1.518 2.586 1.00 0.00 H new ATOM 237 N ILE A 18 4.894 -1.579 6.670 1.00 0.00 N ATOM 238 CA ILE A 18 4.797 -2.972 7.186 1.00 0.00 C ATOM 239 C ILE A 18 3.372 -3.471 6.970 1.00 0.00 C ATOM 240 O ILE A 18 2.436 -2.696 6.954 1.00 0.00 O ATOM 241 CB ILE A 18 5.137 -2.988 8.679 1.00 0.00 C ATOM 242 CG1 ILE A 18 5.219 -4.434 9.167 1.00 0.00 C ATOM 243 CG2 ILE A 18 4.057 -2.245 9.473 1.00 0.00 C ATOM 244 CD1 ILE A 18 6.688 -4.830 9.305 1.00 0.00 C ATOM 0 H ILE A 18 4.817 -0.852 7.381 1.00 0.00 H new ATOM 0 HA ILE A 18 5.498 -3.620 6.659 1.00 0.00 H new ATOM 0 HB ILE A 18 6.096 -2.493 8.830 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.710 -4.537 10.125 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.715 -5.098 8.465 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.308 -2.262 10.533 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.000 -1.212 9.130 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.094 -2.732 9.321 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.756 -5.861 9.653 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.181 -4.740 8.337 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.176 -4.172 10.024 1.00 0.00 H new ATOM 256 N ILE A 19 3.190 -4.746 6.784 1.00 0.00 N ATOM 257 CA ILE A 19 1.815 -5.252 6.543 1.00 0.00 C ATOM 258 C ILE A 19 1.404 -6.268 7.608 1.00 0.00 C ATOM 259 O ILE A 19 2.095 -7.233 7.868 1.00 0.00 O ATOM 260 CB ILE A 19 1.767 -5.901 5.160 1.00 0.00 C ATOM 261 CG1 ILE A 19 2.193 -4.874 4.105 1.00 0.00 C ATOM 262 CG2 ILE A 19 0.346 -6.383 4.865 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.481 -3.542 4.361 1.00 0.00 C ATOM 0 H ILE A 19 3.926 -5.453 6.788 1.00 0.00 H new ATOM 0 HA ILE A 19 1.117 -4.417 6.594 1.00 0.00 H new ATOM 0 HB ILE A 19 2.445 -6.754 5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.273 -4.732 4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.950 -5.241 3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.316 -6.845 3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.046 -7.113 5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.338 -5.535 4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.787 -2.815 3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.402 -3.689 4.305 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.746 -3.172 5.351 1.00 0.00 H new ATOM 275 N LEU A 20 0.263 -6.059 8.210 1.00 0.00 N ATOM 276 CA LEU A 20 -0.229 -7.009 9.245 1.00 0.00 C ATOM 277 C LEU A 20 -0.233 -8.414 8.656 1.00 0.00 C ATOM 278 O LEU A 20 -0.143 -9.386 9.374 1.00 0.00 O ATOM 279 CB LEU A 20 -1.655 -6.630 9.634 1.00 0.00 C ATOM 280 CG LEU A 20 -2.215 -7.666 10.609 1.00 0.00 C ATOM 281 CD1 LEU A 20 -2.620 -6.975 11.911 1.00 0.00 C ATOM 282 CD2 LEU A 20 -3.441 -8.337 9.988 1.00 0.00 C ATOM 0 H LEU A 20 -0.351 -5.266 8.027 1.00 0.00 H new ATOM 0 HA LEU A 20 0.415 -6.971 10.123 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.667 -5.641 10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.283 -6.576 8.745 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.453 -8.417 10.818 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.019 -7.714 12.606 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.748 -6.494 12.354 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.382 -6.224 11.703 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.842 -9.076 10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.202 -7.584 9.780 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.155 -8.829 9.059 1.00 0.00 H new ATOM 294 N ILE A 21 -0.327 -8.484 7.346 1.00 0.00 N ATOM 295 CA ILE A 21 -0.337 -9.774 6.585 1.00 0.00 C ATOM 296 C ILE A 21 -1.665 -9.939 5.826 1.00 0.00 C ATOM 297 O ILE A 21 -2.628 -10.459 6.340 1.00 0.00 O ATOM 298 CB ILE A 21 -0.093 -10.986 7.495 1.00 0.00 C ATOM 299 CG1 ILE A 21 0.272 -12.188 6.626 1.00 0.00 C ATOM 300 CG2 ILE A 21 -1.349 -11.316 8.310 1.00 0.00 C ATOM 301 CD1 ILE A 21 1.604 -11.918 5.922 1.00 0.00 C ATOM 0 H ILE A 21 -0.400 -7.660 6.750 1.00 0.00 H new ATOM 0 HA ILE A 21 0.484 -9.732 5.870 1.00 0.00 H new ATOM 0 HB ILE A 21 0.717 -10.753 8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.347 -13.085 7.240 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.511 -12.370 5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.153 -12.178 8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.616 -10.460 8.929 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.172 -11.545 7.633 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.867 -12.774 5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.511 -11.030 5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.383 -11.757 6.667 1.00 0.00 H new ATOM 313 N ARG A 22 -1.694 -9.509 4.587 1.00 0.00 N ATOM 314 CA ARG A 22 -2.923 -9.634 3.721 1.00 0.00 C ATOM 315 C ARG A 22 -4.223 -9.654 4.549 1.00 0.00 C ATOM 316 O ARG A 22 -5.146 -10.380 4.239 1.00 0.00 O ATOM 317 CB ARG A 22 -2.855 -10.924 2.890 1.00 0.00 C ATOM 318 CG ARG A 22 -1.604 -11.727 3.246 1.00 0.00 C ATOM 319 CD ARG A 22 -0.397 -11.157 2.498 1.00 0.00 C ATOM 320 NE ARG A 22 -0.640 -11.229 1.030 1.00 0.00 N ATOM 321 CZ ARG A 22 0.092 -12.014 0.287 1.00 0.00 C ATOM 322 NH1 ARG A 22 1.393 -11.918 0.319 1.00 0.00 N ATOM 323 NH2 ARG A 22 -0.478 -12.892 -0.492 1.00 0.00 N ATOM 0 H ARG A 22 -0.901 -9.065 4.124 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.941 -8.758 3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.745 -11.527 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.847 -10.679 1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.429 -11.689 4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.746 -12.775 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.225 -10.123 2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.502 -11.717 2.756 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.377 -10.666 0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.839 -11.229 0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.964 -12.532 -0.262 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.495 -12.965 -0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.093 -13.506 -1.073 1.00 0.00 H new ATOM 337 N CYS A 23 -4.305 -8.861 5.580 1.00 0.00 N ATOM 338 CA CYS A 23 -5.541 -8.819 6.428 1.00 0.00 C ATOM 339 C CYS A 23 -6.165 -10.199 6.618 1.00 0.00 C ATOM 340 O CYS A 23 -7.330 -10.278 6.913 1.00 0.00 O ATOM 341 CB CYS A 23 -6.585 -7.895 5.796 1.00 0.00 C ATOM 342 SG CYS A 23 -7.525 -8.755 4.504 1.00 0.00 S ATOM 0 H CYS A 23 -3.562 -8.230 5.879 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.236 -8.443 7.405 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.267 -7.532 6.565 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.091 -7.022 5.370 1.00 0.00 H new ATOM 347 N ALA A 24 -5.434 -11.276 6.451 1.00 0.00 N ATOM 348 CA ALA A 24 -6.049 -12.627 6.621 1.00 0.00 C ATOM 349 C ALA A 24 -7.389 -12.646 5.881 1.00 0.00 C ATOM 350 O ALA A 24 -7.450 -12.996 4.719 1.00 0.00 O ATOM 351 CB ALA A 24 -6.275 -12.906 8.108 1.00 0.00 C ATOM 0 H ALA A 24 -4.444 -11.276 6.206 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.388 -13.394 6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.724 -13.892 8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.320 -12.875 8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.942 -12.150 8.523 1.00 0.00 H new ATOM 357 N MET A 25 -8.437 -12.233 6.557 1.00 0.00 N ATOM 358 CA MET A 25 -9.810 -12.151 5.961 1.00 0.00 C ATOM 359 C MET A 25 -9.800 -12.479 4.463 1.00 0.00 C ATOM 360 O MET A 25 -9.414 -11.670 3.642 1.00 0.00 O ATOM 361 CB MET A 25 -10.311 -10.718 6.159 1.00 0.00 C ATOM 362 CG MET A 25 -10.720 -10.514 7.620 1.00 0.00 C ATOM 363 SD MET A 25 -12.188 -11.507 7.984 1.00 0.00 S ATOM 364 CE MET A 25 -13.325 -10.128 8.267 1.00 0.00 C ATOM 0 H MET A 25 -8.394 -11.939 7.533 1.00 0.00 H new ATOM 0 HA MET A 25 -10.458 -12.878 6.451 1.00 0.00 H new ATOM 0 HB2 MET A 25 -9.530 -10.008 5.887 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.160 -10.525 5.503 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.902 -10.801 8.281 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.926 -9.460 7.807 1.00 0.00 H new ATOM 0 HE1 MET A 25 -14.314 -10.516 8.512 1.00 0.00 H new ATOM 0 HE2 MET A 25 -12.959 -9.518 9.093 1.00 0.00 H new ATOM 0 HE3 MET A 25 -13.388 -9.518 7.366 1.00 0.00 H new ATOM 374 N LEU A 26 -10.217 -13.660 4.102 1.00 0.00 N ATOM 375 CA LEU A 26 -10.228 -14.042 2.662 1.00 0.00 C ATOM 376 C LEU A 26 -10.949 -12.965 1.846 1.00 0.00 C ATOM 377 O LEU A 26 -11.624 -12.110 2.386 1.00 0.00 O ATOM 378 CB LEU A 26 -10.955 -15.381 2.497 1.00 0.00 C ATOM 379 CG LEU A 26 -12.457 -15.188 2.721 1.00 0.00 C ATOM 380 CD1 LEU A 26 -13.205 -16.448 2.287 1.00 0.00 C ATOM 381 CD2 LEU A 26 -12.722 -14.929 4.206 1.00 0.00 C ATOM 0 H LEU A 26 -10.552 -14.379 4.743 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.202 -14.136 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.776 -15.782 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.563 -16.108 3.208 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.804 -14.338 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.274 -16.310 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.018 -16.636 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.857 -17.298 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.791 -14.791 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.374 -15.780 4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.190 -14.031 4.519 1.00 0.00 H new ATOM 393 N ASN A 27 -10.813 -13.004 0.548 1.00 0.00 N ATOM 394 CA ASN A 27 -11.492 -11.987 -0.307 1.00 0.00 C ATOM 395 C ASN A 27 -11.024 -10.583 0.091 1.00 0.00 C ATOM 396 O ASN A 27 -11.708 -9.886 0.813 1.00 0.00 O ATOM 397 CB ASN A 27 -13.007 -12.093 -0.119 1.00 0.00 C ATOM 398 CG ASN A 27 -13.460 -13.522 -0.421 1.00 0.00 C ATOM 399 OD1 ASN A 27 -12.798 -14.242 -1.143 1.00 0.00 O ATOM 400 ND2 ASN A 27 -14.567 -13.967 0.106 1.00 0.00 N ATOM 0 H ASN A 27 -10.261 -13.696 0.042 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.241 -12.168 -1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.277 -11.823 0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.516 -11.391 -0.780 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -14.877 -14.919 -0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -15.122 -13.363 0.712 1.00 0.00 H new ATOM 407 N PRO A 28 -9.867 -10.212 -0.398 1.00 0.00 N ATOM 408 CA PRO A 28 -9.273 -8.892 -0.119 1.00 0.00 C ATOM 409 C PRO A 28 -9.928 -7.818 -1.001 1.00 0.00 C ATOM 410 O PRO A 28 -10.071 -8.008 -2.192 1.00 0.00 O ATOM 411 CB PRO A 28 -7.800 -9.076 -0.496 1.00 0.00 C ATOM 412 CG PRO A 28 -7.750 -10.266 -1.484 1.00 0.00 C ATOM 413 CD PRO A 28 -9.045 -11.073 -1.272 1.00 0.00 C ATOM 0 HA PRO A 28 -9.408 -8.568 0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -7.400 -8.172 -0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.195 -9.279 0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.679 -9.912 -2.513 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.873 -10.886 -1.299 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.547 -11.276 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.842 -12.037 -0.805 1.00 0.00 H new ATOM 421 N PRO A 29 -10.308 -6.721 -0.394 1.00 0.00 N ATOM 422 CA PRO A 29 -10.949 -5.603 -1.107 1.00 0.00 C ATOM 423 C PRO A 29 -9.891 -4.737 -1.800 1.00 0.00 C ATOM 424 O PRO A 29 -8.754 -5.135 -1.953 1.00 0.00 O ATOM 425 CB PRO A 29 -11.638 -4.815 0.010 1.00 0.00 C ATOM 426 CG PRO A 29 -10.895 -5.176 1.320 1.00 0.00 C ATOM 427 CD PRO A 29 -10.140 -6.490 1.054 1.00 0.00 C ATOM 0 HA PRO A 29 -11.639 -5.930 -1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.588 -3.743 -0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.694 -5.078 0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.203 -4.383 1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.599 -5.294 2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.087 -6.405 1.324 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.554 -7.312 1.638 1.00 0.00 H new ATOM 435 N ASN A 30 -10.257 -3.555 -2.213 1.00 0.00 N ATOM 436 CA ASN A 30 -9.273 -2.662 -2.888 1.00 0.00 C ATOM 437 C ASN A 30 -9.645 -1.201 -2.618 1.00 0.00 C ATOM 438 O ASN A 30 -10.650 -0.709 -3.090 1.00 0.00 O ATOM 439 CB ASN A 30 -9.291 -2.930 -4.394 1.00 0.00 C ATOM 440 CG ASN A 30 -9.415 -4.431 -4.644 1.00 0.00 C ATOM 441 OD1 ASN A 30 -10.407 -5.039 -4.293 1.00 0.00 O ATOM 442 ND2 ASN A 30 -8.444 -5.056 -5.241 1.00 0.00 N ATOM 0 H ASN A 30 -11.196 -3.169 -2.112 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.274 -2.858 -2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.125 -2.403 -4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.379 -2.549 -4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.514 -6.059 -5.416 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.612 -4.544 -5.535 1.00 0.00 H new ATOM 449 N ARG A 31 -8.847 -0.509 -1.848 1.00 0.00 N ATOM 450 CA ARG A 31 -9.154 0.912 -1.532 1.00 0.00 C ATOM 451 C ARG A 31 -8.307 1.839 -2.411 1.00 0.00 C ATOM 452 O ARG A 31 -8.533 3.031 -2.466 1.00 0.00 O ATOM 453 CB ARG A 31 -8.826 1.163 -0.063 1.00 0.00 C ATOM 454 CG ARG A 31 -9.675 2.314 0.468 1.00 0.00 C ATOM 455 CD ARG A 31 -9.020 2.865 1.732 1.00 0.00 C ATOM 456 NE ARG A 31 -10.052 3.055 2.789 1.00 0.00 N ATOM 457 CZ ARG A 31 -10.227 2.137 3.700 1.00 0.00 C ATOM 458 NH1 ARG A 31 -10.870 1.039 3.407 1.00 0.00 N ATOM 459 NH2 ARG A 31 -9.756 2.317 4.906 1.00 0.00 N ATOM 0 H ARG A 31 -7.993 -0.871 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.208 1.113 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.014 0.261 0.520 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.768 1.399 0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.762 3.098 -0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.685 1.968 0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.249 2.179 2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.529 3.813 1.515 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.621 3.901 2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.236 0.898 2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.006 0.322 4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.252 3.174 5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.892 1.600 5.619 1.00 0.00 H new ATOM 473 N CYS A 32 -7.337 1.305 -3.103 1.00 0.00 N ATOM 474 CA CYS A 32 -6.486 2.154 -3.978 1.00 0.00 C ATOM 475 C CYS A 32 -5.842 1.265 -5.032 1.00 0.00 C ATOM 476 O CYS A 32 -5.693 0.073 -4.841 1.00 0.00 O ATOM 477 CB CYS A 32 -5.401 2.848 -3.148 1.00 0.00 C ATOM 478 SG CYS A 32 -4.132 1.650 -2.655 1.00 0.00 S ATOM 0 H CYS A 32 -7.098 0.313 -3.098 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.096 2.921 -4.456 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.948 3.652 -3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.845 3.304 -2.263 1.00 0.00 H new ATOM 483 N LEU A 33 -5.468 1.820 -6.145 1.00 0.00 N ATOM 484 CA LEU A 33 -4.854 0.984 -7.206 1.00 0.00 C ATOM 485 C LEU A 33 -3.907 1.835 -8.064 1.00 0.00 C ATOM 486 O LEU A 33 -2.828 1.404 -8.422 1.00 0.00 O ATOM 487 CB LEU A 33 -5.976 0.406 -8.071 1.00 0.00 C ATOM 488 CG LEU A 33 -6.755 -0.645 -7.275 1.00 0.00 C ATOM 489 CD1 LEU A 33 -7.994 -1.075 -8.064 1.00 0.00 C ATOM 490 CD2 LEU A 33 -5.860 -1.860 -7.023 1.00 0.00 C ATOM 0 H LEU A 33 -5.560 2.812 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.275 0.176 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.647 1.203 -8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.558 -0.043 -8.972 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.066 -0.219 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.546 -1.823 -7.495 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.632 -0.209 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.687 -1.500 -9.020 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.414 -2.609 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.547 -2.285 -7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.981 -1.553 -6.456 1.00 0.00 H new ATOM 502 N LYS A 34 -4.293 3.040 -8.392 1.00 0.00 N ATOM 503 CA LYS A 34 -3.402 3.907 -9.218 1.00 0.00 C ATOM 504 C LYS A 34 -4.130 5.208 -9.583 1.00 0.00 C ATOM 505 O LYS A 34 -3.520 6.250 -9.715 1.00 0.00 O ATOM 506 CB LYS A 34 -3.005 3.168 -10.498 1.00 0.00 C ATOM 507 CG LYS A 34 -4.148 2.255 -10.943 1.00 0.00 C ATOM 508 CD LYS A 34 -4.193 2.204 -12.471 1.00 0.00 C ATOM 509 CE LYS A 34 -5.621 2.472 -12.947 1.00 0.00 C ATOM 510 NZ LYS A 34 -6.326 1.176 -13.158 1.00 0.00 N ATOM 0 H LYS A 34 -5.183 3.460 -8.125 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.507 4.145 -8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.772 3.885 -11.285 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.104 2.580 -10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.006 1.253 -10.539 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.096 2.625 -10.553 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.513 2.945 -12.891 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.858 1.228 -12.823 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.155 3.073 -12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.605 3.045 -13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.297 1.358 -13.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.820 0.619 -13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.353 0.646 -12.264 1.00 0.00 H new ATOM 524 N ASP A 35 -5.426 5.154 -9.758 1.00 0.00 N ATOM 525 CA ASP A 35 -6.186 6.386 -10.124 1.00 0.00 C ATOM 526 C ASP A 35 -5.671 7.587 -9.320 1.00 0.00 C ATOM 527 O ASP A 35 -4.944 8.416 -9.832 1.00 0.00 O ATOM 528 CB ASP A 35 -7.677 6.175 -9.844 1.00 0.00 C ATOM 529 CG ASP A 35 -8.488 7.261 -10.555 1.00 0.00 C ATOM 530 OD1 ASP A 35 -8.651 7.156 -11.761 1.00 0.00 O ATOM 531 OD2 ASP A 35 -8.932 8.177 -9.884 1.00 0.00 O ATOM 0 H ASP A 35 -5.990 4.310 -9.663 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.042 6.587 -11.186 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.987 5.189 -10.190 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.865 6.210 -8.771 1.00 0.00 H new ATOM 536 N THR A 36 -6.041 7.698 -8.069 1.00 0.00 N ATOM 537 CA THR A 36 -5.565 8.859 -7.259 1.00 0.00 C ATOM 538 C THR A 36 -6.272 8.876 -5.898 1.00 0.00 C ATOM 539 O THR A 36 -5.690 9.236 -4.894 1.00 0.00 O ATOM 540 CB THR A 36 -5.881 10.156 -8.007 1.00 0.00 C ATOM 541 OG1 THR A 36 -5.876 11.243 -7.089 1.00 0.00 O ATOM 542 CG2 THR A 36 -7.258 10.044 -8.664 1.00 0.00 C ATOM 0 H THR A 36 -6.647 7.041 -7.577 1.00 0.00 H new ATOM 0 HA THR A 36 -4.490 8.770 -7.102 1.00 0.00 H new ATOM 0 HB THR A 36 -5.128 10.327 -8.776 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.077 12.075 -7.566 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.483 10.968 -9.197 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.259 9.210 -9.366 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.014 9.874 -7.898 1.00 0.00 H new ATOM 550 N ASP A 37 -7.521 8.501 -5.859 1.00 0.00 N ATOM 551 CA ASP A 37 -8.266 8.505 -4.566 1.00 0.00 C ATOM 552 C ASP A 37 -7.376 7.948 -3.451 1.00 0.00 C ATOM 553 O ASP A 37 -7.303 6.754 -3.244 1.00 0.00 O ATOM 554 CB ASP A 37 -9.517 7.633 -4.699 1.00 0.00 C ATOM 555 CG ASP A 37 -10.541 8.038 -3.638 1.00 0.00 C ATOM 556 OD1 ASP A 37 -10.129 8.555 -2.611 1.00 0.00 O ATOM 557 OD2 ASP A 37 -11.719 7.823 -3.867 1.00 0.00 O ATOM 0 H ASP A 37 -8.060 8.191 -6.668 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.553 9.527 -4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.946 7.745 -5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.254 6.582 -4.582 1.00 0.00 H new ATOM 562 N CYS A 38 -6.702 8.805 -2.729 1.00 0.00 N ATOM 563 CA CYS A 38 -5.820 8.322 -1.627 1.00 0.00 C ATOM 564 C CYS A 38 -5.333 9.515 -0.794 1.00 0.00 C ATOM 565 O CYS A 38 -4.156 9.816 -0.775 1.00 0.00 O ATOM 566 CB CYS A 38 -4.611 7.596 -2.223 1.00 0.00 C ATOM 567 SG CYS A 38 -4.933 5.814 -2.269 1.00 0.00 S ATOM 0 H CYS A 38 -6.725 9.817 -2.855 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.382 7.639 -0.990 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.412 7.966 -3.229 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.722 7.800 -1.627 1.00 0.00 H new ATOM 572 N PRO A 39 -6.259 10.160 -0.128 1.00 0.00 N ATOM 573 CA PRO A 39 -5.966 11.329 0.723 1.00 0.00 C ATOM 574 C PRO A 39 -5.404 10.882 2.080 1.00 0.00 C ATOM 575 O PRO A 39 -5.667 9.787 2.540 1.00 0.00 O ATOM 576 CB PRO A 39 -7.334 11.991 0.903 1.00 0.00 C ATOM 577 CG PRO A 39 -8.388 10.886 0.649 1.00 0.00 C ATOM 578 CD PRO A 39 -7.687 9.785 -0.168 1.00 0.00 C ATOM 0 HA PRO A 39 -5.222 11.996 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.437 12.404 1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.461 12.818 0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.766 10.488 1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.244 11.285 0.105 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.853 8.799 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.061 9.749 -1.191 1.00 0.00 H new ATOM 586 N GLY A 40 -4.646 11.726 2.729 1.00 0.00 N ATOM 587 CA GLY A 40 -4.084 11.353 4.059 1.00 0.00 C ATOM 588 C GLY A 40 -2.603 10.986 3.929 1.00 0.00 C ATOM 589 O GLY A 40 -1.736 11.680 4.421 1.00 0.00 O ATOM 0 H GLY A 40 -4.392 12.656 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.200 12.183 4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.639 10.511 4.472 1.00 0.00 H new ATOM 593 N ILE A 41 -2.305 9.891 3.282 1.00 0.00 N ATOM 594 CA ILE A 41 -0.880 9.473 3.137 1.00 0.00 C ATOM 595 C ILE A 41 -0.222 10.183 1.939 1.00 0.00 C ATOM 596 O ILE A 41 -0.120 11.395 1.915 1.00 0.00 O ATOM 597 CB ILE A 41 -0.814 7.950 2.985 1.00 0.00 C ATOM 598 CG1 ILE A 41 -1.921 7.423 2.044 1.00 0.00 C ATOM 599 CG2 ILE A 41 -0.999 7.308 4.356 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.186 8.381 0.871 1.00 0.00 C ATOM 0 H ILE A 41 -2.986 9.268 2.848 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.325 9.763 4.029 1.00 0.00 H new ATOM 0 HB ILE A 41 0.155 7.694 2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.632 6.446 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.841 7.281 2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.954 6.223 4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.208 7.646 5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.968 7.596 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.971 7.970 0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.502 9.350 1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.274 8.503 0.287 1.00 0.00 H new ATOM 612 N LYS A 42 0.241 9.455 0.954 1.00 0.00 N ATOM 613 CA LYS A 42 0.897 10.109 -0.209 1.00 0.00 C ATOM 614 C LYS A 42 0.528 9.375 -1.511 1.00 0.00 C ATOM 615 O LYS A 42 0.398 9.988 -2.552 1.00 0.00 O ATOM 616 CB LYS A 42 2.420 10.095 0.015 1.00 0.00 C ATOM 617 CG LYS A 42 3.168 10.043 -1.321 1.00 0.00 C ATOM 618 CD LYS A 42 4.670 9.921 -1.062 1.00 0.00 C ATOM 619 CE LYS A 42 5.097 10.960 -0.025 1.00 0.00 C ATOM 620 NZ LYS A 42 6.575 11.140 -0.080 1.00 0.00 N ATOM 0 H LYS A 42 0.191 8.437 0.909 1.00 0.00 H new ATOM 0 HA LYS A 42 0.554 11.139 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.718 10.985 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.694 9.233 0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.820 9.195 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.960 10.942 -1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.908 8.918 -0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.223 10.070 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.597 11.909 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.796 10.639 0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.985 10.932 0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.977 10.493 -0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.796 12.122 -0.344 1.00 0.00 H new ATOM 634 N LYS A 43 0.366 8.075 -1.478 1.00 0.00 N ATOM 635 CA LYS A 43 0.016 7.348 -2.736 1.00 0.00 C ATOM 636 C LYS A 43 -0.622 5.994 -2.407 1.00 0.00 C ATOM 637 O LYS A 43 -1.050 5.750 -1.297 1.00 0.00 O ATOM 638 CB LYS A 43 1.285 7.122 -3.562 1.00 0.00 C ATOM 639 CG LYS A 43 1.131 7.785 -4.932 1.00 0.00 C ATOM 640 CD LYS A 43 2.274 8.779 -5.153 1.00 0.00 C ATOM 641 CE LYS A 43 1.856 9.812 -6.201 1.00 0.00 C ATOM 642 NZ LYS A 43 2.636 9.594 -7.451 1.00 0.00 N ATOM 0 H LYS A 43 0.460 7.493 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.695 7.947 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.148 7.536 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.467 6.054 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.137 7.028 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.172 8.299 -4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.524 9.277 -4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.170 8.252 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.789 9.727 -6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.028 10.820 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.352 10.296 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.651 9.696 -7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.450 8.637 -7.814 1.00 0.00 H new ATOM 656 N CYS A 44 -0.687 5.112 -3.371 1.00 0.00 N ATOM 657 CA CYS A 44 -1.298 3.773 -3.125 1.00 0.00 C ATOM 658 C CYS A 44 -0.199 2.709 -3.069 1.00 0.00 C ATOM 659 O CYS A 44 0.782 2.771 -3.783 1.00 0.00 O ATOM 660 CB CYS A 44 -2.278 3.445 -4.256 1.00 0.00 C ATOM 661 SG CYS A 44 -2.778 1.704 -4.154 1.00 0.00 S ATOM 0 H CYS A 44 -0.342 5.262 -4.319 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.833 3.786 -2.175 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.155 4.089 -4.187 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.812 3.643 -5.221 1.00 0.00 H new ATOM 666 N CYS A 45 -0.364 1.733 -2.222 1.00 0.00 N ATOM 667 CA CYS A 45 0.656 0.655 -2.103 1.00 0.00 C ATOM 668 C CYS A 45 -0.056 -0.693 -1.982 1.00 0.00 C ATOM 669 O CYS A 45 -1.247 -0.801 -2.203 1.00 0.00 O ATOM 670 CB CYS A 45 1.491 0.886 -0.845 1.00 0.00 C ATOM 671 SG CYS A 45 3.243 1.073 -1.269 1.00 0.00 S ATOM 0 H CYS A 45 -1.168 1.635 -1.602 1.00 0.00 H new ATOM 0 HA CYS A 45 1.301 0.662 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.139 1.778 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.365 0.048 -0.159 1.00 0.00 H new ATOM 676 N GLU A 46 0.658 -1.713 -1.608 1.00 0.00 N ATOM 677 CA GLU A 46 0.026 -3.053 -1.445 1.00 0.00 C ATOM 678 C GLU A 46 0.279 -3.526 -0.017 1.00 0.00 C ATOM 679 O GLU A 46 1.407 -3.575 0.433 1.00 0.00 O ATOM 680 CB GLU A 46 0.645 -4.045 -2.435 1.00 0.00 C ATOM 681 CG GLU A 46 -0.137 -4.013 -3.750 1.00 0.00 C ATOM 682 CD GLU A 46 0.612 -3.157 -4.774 1.00 0.00 C ATOM 683 OE1 GLU A 46 1.731 -3.510 -5.109 1.00 0.00 O ATOM 684 OE2 GLU A 46 0.053 -2.162 -5.206 1.00 0.00 O ATOM 0 H GLU A 46 1.657 -1.679 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.045 -2.990 -1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.690 -3.791 -2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.629 -5.051 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.266 -5.026 -4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.134 -3.607 -3.582 1.00 0.00 H new ATOM 691 N GLY A 47 -0.748 -3.857 0.713 1.00 0.00 N ATOM 692 CA GLY A 47 -0.518 -4.298 2.113 1.00 0.00 C ATOM 693 C GLY A 47 -1.578 -5.297 2.555 1.00 0.00 C ATOM 694 O GLY A 47 -2.046 -6.115 1.790 1.00 0.00 O ATOM 0 H GLY A 47 -1.721 -3.842 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.470 -4.751 2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.530 -3.433 2.776 1.00 0.00 H new ATOM 698 N SER A 48 -1.939 -5.238 3.806 1.00 0.00 N ATOM 699 CA SER A 48 -2.948 -6.184 4.340 1.00 0.00 C ATOM 700 C SER A 48 -4.304 -5.923 3.681 1.00 0.00 C ATOM 701 O SER A 48 -4.887 -4.868 3.829 1.00 0.00 O ATOM 702 CB SER A 48 -3.068 -5.991 5.854 1.00 0.00 C ATOM 703 OG SER A 48 -4.432 -6.106 6.238 1.00 0.00 O ATOM 0 H SER A 48 -1.574 -4.569 4.484 1.00 0.00 H new ATOM 0 HA SER A 48 -2.637 -7.206 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.468 -6.737 6.375 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.680 -5.013 6.139 1.00 0.00 H new ATOM 0 HG SER A 48 -4.510 -5.984 7.207 1.00 0.00 H new ATOM 709 N CYS A 49 -4.801 -6.889 2.962 1.00 0.00 N ATOM 710 CA CYS A 49 -6.121 -6.750 2.288 1.00 0.00 C ATOM 711 C CYS A 49 -5.987 -5.925 1.007 1.00 0.00 C ATOM 712 O CYS A 49 -6.100 -4.715 1.014 1.00 0.00 O ATOM 713 CB CYS A 49 -7.122 -6.090 3.238 1.00 0.00 C ATOM 714 SG CYS A 49 -8.466 -7.252 3.551 1.00 0.00 S ATOM 0 H CYS A 49 -4.339 -7.786 2.810 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.483 -7.743 2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.633 -5.816 4.173 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.510 -5.171 2.800 1.00 0.00 H new ATOM 719 N GLY A 50 -5.763 -6.585 -0.096 1.00 0.00 N ATOM 720 CA GLY A 50 -5.634 -5.866 -1.394 1.00 0.00 C ATOM 721 C GLY A 50 -4.621 -4.731 -1.261 1.00 0.00 C ATOM 722 O GLY A 50 -3.607 -4.863 -0.606 1.00 0.00 O ATOM 0 H GLY A 50 -5.663 -7.598 -0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.317 -6.559 -2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.602 -5.467 -1.697 1.00 0.00 H new ATOM 726 N MET A 51 -4.890 -3.616 -1.880 1.00 0.00 N ATOM 727 CA MET A 51 -3.943 -2.468 -1.791 1.00 0.00 C ATOM 728 C MET A 51 -4.644 -1.292 -1.115 1.00 0.00 C ATOM 729 O MET A 51 -5.841 -1.122 -1.229 1.00 0.00 O ATOM 730 CB MET A 51 -3.465 -2.043 -3.183 1.00 0.00 C ATOM 731 CG MET A 51 -4.189 -2.846 -4.257 1.00 0.00 C ATOM 732 SD MET A 51 -3.561 -4.544 -4.280 1.00 0.00 S ATOM 733 CE MET A 51 -4.740 -5.210 -5.482 1.00 0.00 C ATOM 0 H MET A 51 -5.724 -3.449 -2.443 1.00 0.00 H new ATOM 0 HA MET A 51 -3.075 -2.776 -1.208 1.00 0.00 H new ATOM 0 HB2 MET A 51 -3.649 -0.979 -3.329 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.389 -2.196 -3.268 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.261 -2.848 -4.062 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.043 -2.381 -5.232 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.356 -6.145 -5.889 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.696 -5.394 -4.991 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.880 -4.493 -6.291 1.00 0.00 H new ATOM 743 N ALA A 52 -3.909 -0.476 -0.412 1.00 0.00 N ATOM 744 CA ALA A 52 -4.539 0.689 0.271 1.00 0.00 C ATOM 745 C ALA A 52 -3.569 1.870 0.256 1.00 0.00 C ATOM 746 O ALA A 52 -2.387 1.710 0.029 1.00 0.00 O ATOM 747 CB ALA A 52 -4.875 0.320 1.714 1.00 0.00 C ATOM 0 H ALA A 52 -2.901 -0.565 -0.281 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.456 0.963 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.335 1.174 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.568 -0.521 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.962 0.043 2.241 1.00 0.00 H new ATOM 753 N CYS A 53 -4.059 3.057 0.484 1.00 0.00 N ATOM 754 CA CYS A 53 -3.167 4.245 0.466 1.00 0.00 C ATOM 755 C CYS A 53 -2.174 4.185 1.625 1.00 0.00 C ATOM 756 O CYS A 53 -2.537 4.296 2.780 1.00 0.00 O ATOM 757 CB CYS A 53 -3.997 5.522 0.586 1.00 0.00 C ATOM 758 SG CYS A 53 -5.513 5.364 -0.389 1.00 0.00 S ATOM 0 H CYS A 53 -5.040 3.254 0.682 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.619 4.248 -0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.244 5.709 1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.418 6.377 0.238 1.00 0.00 H new ATOM 763 N PHE A 54 -0.919 4.034 1.319 1.00 0.00 N ATOM 764 CA PHE A 54 0.113 3.994 2.387 1.00 0.00 C ATOM 765 C PHE A 54 0.973 5.250 2.263 1.00 0.00 C ATOM 766 O PHE A 54 0.677 6.131 1.478 1.00 0.00 O ATOM 767 CB PHE A 54 0.996 2.758 2.203 1.00 0.00 C ATOM 768 CG PHE A 54 0.181 1.496 2.381 1.00 0.00 C ATOM 769 CD1 PHE A 54 -1.104 1.548 2.934 1.00 0.00 C ATOM 770 CD2 PHE A 54 0.725 0.268 1.996 1.00 0.00 C ATOM 771 CE1 PHE A 54 -1.842 0.368 3.100 1.00 0.00 C ATOM 772 CE2 PHE A 54 -0.009 -0.911 2.164 1.00 0.00 C ATOM 773 CZ PHE A 54 -1.292 -0.862 2.715 1.00 0.00 C ATOM 0 H PHE A 54 -0.561 3.936 0.369 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.362 3.950 3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.447 2.770 1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.813 2.776 2.925 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.526 2.496 3.232 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.715 0.229 1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.834 0.407 3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.416 -1.859 1.868 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.860 -1.772 2.844 1.00 0.00 H new ATOM 783 N VAL A 55 2.041 5.336 3.014 1.00 0.00 N ATOM 784 CA VAL A 55 2.925 6.535 2.919 1.00 0.00 C ATOM 785 C VAL A 55 4.244 6.129 2.255 1.00 0.00 C ATOM 786 O VAL A 55 5.225 5.881 2.927 1.00 0.00 O ATOM 787 CB VAL A 55 3.219 7.087 4.320 1.00 0.00 C ATOM 788 CG1 VAL A 55 3.388 8.606 4.241 1.00 0.00 C ATOM 789 CG2 VAL A 55 2.059 6.761 5.266 1.00 0.00 C ATOM 0 H VAL A 55 2.338 4.629 3.687 1.00 0.00 H new ATOM 0 HA VAL A 55 2.425 7.304 2.330 1.00 0.00 H new ATOM 0 HB VAL A 55 4.133 6.629 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.597 9.001 5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.216 8.846 3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.472 9.055 3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.276 7.157 6.258 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.143 7.214 4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.931 5.680 5.326 1.00 0.00 H new ATOM 799 N PRO A 56 4.224 6.074 0.948 1.00 0.00 N ATOM 800 CA PRO A 56 5.406 5.700 0.149 1.00 0.00 C ATOM 801 C PRO A 56 6.432 6.835 0.128 1.00 0.00 C ATOM 802 O PRO A 56 6.217 7.892 0.686 1.00 0.00 O ATOM 803 CB PRO A 56 4.835 5.458 -1.250 1.00 0.00 C ATOM 804 CG PRO A 56 3.498 6.231 -1.311 1.00 0.00 C ATOM 805 CD PRO A 56 3.022 6.384 0.146 1.00 0.00 C ATOM 0 HA PRO A 56 5.929 4.832 0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.524 5.811 -2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.678 4.394 -1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.633 7.205 -1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.762 5.690 -1.906 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.659 7.393 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.204 5.701 0.373 1.00 0.00 H new ATOM 813 N GLN A 57 7.546 6.617 -0.514 1.00 0.00 N ATOM 814 CA GLN A 57 8.592 7.676 -0.577 1.00 0.00 C ATOM 815 C GLN A 57 8.507 8.399 -1.921 1.00 0.00 C ATOM 816 O GLN A 57 9.096 7.911 -2.872 1.00 0.00 O ATOM 817 CB GLN A 57 9.972 7.035 -0.431 1.00 0.00 C ATOM 818 CG GLN A 57 10.157 6.538 1.004 1.00 0.00 C ATOM 819 CD GLN A 57 10.715 7.670 1.866 1.00 0.00 C ATOM 820 OE1 GLN A 57 11.003 8.741 1.372 1.00 0.00 O ATOM 821 NE2 GLN A 57 10.880 7.477 3.146 1.00 0.00 N ATOM 822 OXT GLN A 57 7.854 9.428 -1.979 1.00 0.00 O ATOM 0 H GLN A 57 7.778 5.750 -0.999 1.00 0.00 H new ATOM 0 HA GLN A 57 8.434 8.391 0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 57 10.075 6.205 -1.130 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.748 7.759 -0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.204 6.195 1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.836 5.685 1.020 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.638 6.577 3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.251 8.226 3.731 1.00 0.00 H new TER 831 GLN A 57