USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=6 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.61) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 48:sc= 0.68 USER MOD Single : A 11 THR OG1 : rot 74:sc= 1.36 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.164 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -2.67! K(o=-2.7!,f=-1.4) USER MOD Single : A 30 ASN : amide:sc= -4.85! C(o=-4.9!,f=-7.2!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.131 USER MOD Single : A 51 MET CE :methyl -149:sc= -4.69! (180deg=-6.42!) USER MOD Single : A 57 GLN : amide:sc= -0.818 K(o=-0.82,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.678 5.222 -8.166 1.00 0.00 N ATOM 2 CA ALA A 1 19.209 5.328 -8.390 1.00 0.00 C ATOM 3 C ALA A 1 18.863 4.781 -9.777 1.00 0.00 C ATOM 4 O ALA A 1 19.127 5.407 -10.785 1.00 0.00 O ATOM 5 CB ALA A 1 18.787 6.795 -8.299 1.00 0.00 C ATOM 0 H1 ALA A 1 20.913 5.594 -7.224 1.00 0.00 H new ATOM 0 H2 ALA A 1 20.967 4.225 -8.227 1.00 0.00 H new ATOM 0 H3 ALA A 1 21.180 5.773 -8.891 1.00 0.00 H new ATOM 0 HA ALA A 1 18.682 4.750 -7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 1 17.712 6.875 -8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 1 19.034 7.184 -7.311 1.00 0.00 H new ATOM 0 HB3 ALA A 1 19.314 7.373 -9.058 1.00 0.00 H new ATOM 13 N GLN A 2 18.269 3.619 -9.838 1.00 0.00 N ATOM 14 CA GLN A 2 17.902 3.038 -11.161 1.00 0.00 C ATOM 15 C GLN A 2 16.482 3.474 -11.527 1.00 0.00 C ATOM 16 O GLN A 2 16.276 4.245 -12.443 1.00 0.00 O ATOM 17 CB GLN A 2 17.963 1.510 -11.086 1.00 0.00 C ATOM 18 CG GLN A 2 18.129 0.933 -12.495 1.00 0.00 C ATOM 19 CD GLN A 2 16.758 0.799 -13.161 1.00 0.00 C ATOM 20 OE1 GLN A 2 16.466 1.491 -14.116 1.00 0.00 O ATOM 21 NE2 GLN A 2 15.901 -0.067 -12.696 1.00 0.00 N ATOM 0 H GLN A 2 18.023 3.048 -9.030 1.00 0.00 H new ATOM 0 HA GLN A 2 18.601 3.390 -11.920 1.00 0.00 H new ATOM 0 HB2 GLN A 2 18.796 1.200 -10.455 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.053 1.122 -10.628 1.00 0.00 H new ATOM 0 HG2 GLN A 2 18.772 1.581 -13.091 1.00 0.00 H new ATOM 0 HG3 GLN A 2 18.617 -0.041 -12.445 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.147 -0.648 -11.894 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.985 -0.164 -13.134 1.00 0.00 H new ATOM 30 N GLU A 3 15.500 2.993 -10.811 1.00 0.00 N ATOM 31 CA GLU A 3 14.093 3.386 -11.112 1.00 0.00 C ATOM 32 C GLU A 3 13.723 2.951 -12.535 1.00 0.00 C ATOM 33 O GLU A 3 14.065 3.622 -13.489 1.00 0.00 O ATOM 34 CB GLU A 3 13.957 4.904 -10.998 1.00 0.00 C ATOM 35 CG GLU A 3 12.663 5.245 -10.257 1.00 0.00 C ATOM 36 CD GLU A 3 12.033 6.493 -10.878 1.00 0.00 C ATOM 37 OE1 GLU A 3 12.251 6.718 -12.058 1.00 0.00 O ATOM 38 OE2 GLU A 3 11.343 7.202 -10.165 1.00 0.00 O ATOM 0 H GLU A 3 15.612 2.345 -10.031 1.00 0.00 H new ATOM 0 HA GLU A 3 13.425 2.900 -10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 3 14.813 5.318 -10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.950 5.355 -11.990 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.968 4.407 -10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.871 5.417 -9.201 1.00 0.00 H new ATOM 45 N PRO A 4 13.029 1.843 -12.637 1.00 0.00 N ATOM 46 CA PRO A 4 12.592 1.301 -13.934 1.00 0.00 C ATOM 47 C PRO A 4 11.363 2.062 -14.441 1.00 0.00 C ATOM 48 O PRO A 4 11.096 3.174 -14.029 1.00 0.00 O ATOM 49 CB PRO A 4 12.236 -0.153 -13.615 1.00 0.00 C ATOM 50 CG PRO A 4 11.944 -0.207 -12.098 1.00 0.00 C ATOM 51 CD PRO A 4 12.619 1.030 -11.474 1.00 0.00 C ATOM 0 HA PRO A 4 13.350 1.388 -14.713 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.368 -0.475 -14.190 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.057 -0.820 -13.877 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.870 -0.199 -11.910 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.337 -1.125 -11.660 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.931 1.576 -10.829 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.476 0.750 -10.862 1.00 0.00 H new ATOM 59 N VAL A 5 10.614 1.473 -15.331 1.00 0.00 N ATOM 60 CA VAL A 5 9.405 2.162 -15.860 1.00 0.00 C ATOM 61 C VAL A 5 8.356 2.274 -14.752 1.00 0.00 C ATOM 62 O VAL A 5 8.239 3.290 -14.096 1.00 0.00 O ATOM 63 CB VAL A 5 8.829 1.358 -17.026 1.00 0.00 C ATOM 64 CG1 VAL A 5 7.484 1.961 -17.438 1.00 0.00 C ATOM 65 CG2 VAL A 5 9.797 1.416 -18.212 1.00 0.00 C ATOM 0 H VAL A 5 10.787 0.544 -15.715 1.00 0.00 H new ATOM 0 HA VAL A 5 9.678 3.159 -16.205 1.00 0.00 H new ATOM 0 HB VAL A 5 8.688 0.321 -16.722 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.069 1.391 -18.269 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.795 1.925 -16.594 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.628 2.997 -17.745 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.388 0.843 -19.044 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.935 2.453 -18.518 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.758 0.993 -17.918 1.00 0.00 H new ATOM 75 N LYS A 6 7.591 1.238 -14.536 1.00 0.00 N ATOM 76 CA LYS A 6 6.552 1.295 -13.470 1.00 0.00 C ATOM 77 C LYS A 6 5.638 0.070 -13.576 1.00 0.00 C ATOM 78 O LYS A 6 5.802 -0.766 -14.442 1.00 0.00 O ATOM 79 CB LYS A 6 5.727 2.570 -13.640 1.00 0.00 C ATOM 80 CG LYS A 6 5.753 3.370 -12.338 1.00 0.00 C ATOM 81 CD LYS A 6 5.432 4.837 -12.633 1.00 0.00 C ATOM 82 CE LYS A 6 6.635 5.710 -12.269 1.00 0.00 C ATOM 83 NZ LYS A 6 6.178 7.108 -12.031 1.00 0.00 N ATOM 0 H LYS A 6 7.641 0.358 -15.050 1.00 0.00 H new ATOM 0 HA LYS A 6 7.032 1.299 -12.491 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.129 3.170 -14.456 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.700 2.319 -13.905 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.027 2.963 -11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.733 3.289 -11.868 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.186 4.961 -13.688 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.557 5.150 -12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.125 5.319 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.371 5.688 -13.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.994 7.703 -11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.729 7.478 -12.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.491 7.121 -11.250 1.00 0.00 H new ATOM 97 N GLY A 7 4.674 -0.042 -12.699 1.00 0.00 N ATOM 98 CA GLY A 7 3.751 -1.216 -12.751 1.00 0.00 C ATOM 99 C GLY A 7 2.746 -1.134 -11.596 1.00 0.00 C ATOM 100 O GLY A 7 1.609 -0.756 -11.793 1.00 0.00 O ATOM 0 H GLY A 7 4.486 0.626 -11.951 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.223 -1.234 -13.705 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.321 -2.143 -12.685 1.00 0.00 H new ATOM 104 N PRO A 8 3.203 -1.500 -10.422 1.00 0.00 N ATOM 105 CA PRO A 8 2.378 -1.486 -9.199 1.00 0.00 C ATOM 106 C PRO A 8 2.307 -0.071 -8.616 1.00 0.00 C ATOM 107 O PRO A 8 2.690 0.163 -7.488 1.00 0.00 O ATOM 108 CB PRO A 8 3.140 -2.404 -8.245 1.00 0.00 C ATOM 109 CG PRO A 8 4.605 -2.414 -8.736 1.00 0.00 C ATOM 110 CD PRO A 8 4.584 -1.972 -10.210 1.00 0.00 C ATOM 0 HA PRO A 8 1.351 -1.804 -9.378 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.075 -2.040 -7.220 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.720 -3.410 -8.253 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.217 -1.738 -8.139 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.039 -3.409 -8.637 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.310 -1.181 -10.400 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.830 -2.798 -10.878 1.00 0.00 H new ATOM 118 N VAL A 9 1.832 0.866 -9.383 1.00 0.00 N ATOM 119 CA VAL A 9 1.736 2.272 -8.895 1.00 0.00 C ATOM 120 C VAL A 9 3.143 2.827 -8.661 1.00 0.00 C ATOM 121 O VAL A 9 3.785 3.315 -9.570 1.00 0.00 O ATOM 122 CB VAL A 9 0.934 2.319 -7.590 1.00 0.00 C ATOM 123 CG1 VAL A 9 1.022 3.724 -6.988 1.00 0.00 C ATOM 124 CG2 VAL A 9 -0.531 1.991 -7.883 1.00 0.00 C ATOM 0 H VAL A 9 1.502 0.719 -10.337 1.00 0.00 H new ATOM 0 HA VAL A 9 1.227 2.879 -9.644 1.00 0.00 H new ATOM 0 HB VAL A 9 1.341 1.592 -6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.452 3.758 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.064 3.967 -6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.612 4.448 -7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.104 2.024 -6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.934 2.721 -8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.601 0.994 -8.317 1.00 0.00 H new ATOM 134 N SER A 10 3.634 2.757 -7.453 1.00 0.00 N ATOM 135 CA SER A 10 5.000 3.282 -7.180 1.00 0.00 C ATOM 136 C SER A 10 5.452 2.836 -5.789 1.00 0.00 C ATOM 137 O SER A 10 5.466 3.610 -4.853 1.00 0.00 O ATOM 138 CB SER A 10 4.983 4.809 -7.245 1.00 0.00 C ATOM 139 OG SER A 10 5.513 5.228 -8.495 1.00 0.00 O ATOM 0 H SER A 10 3.150 2.361 -6.648 1.00 0.00 H new ATOM 0 HA SER A 10 5.692 2.894 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.965 5.179 -7.126 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.572 5.227 -6.428 1.00 0.00 H new ATOM 0 HG SER A 10 5.095 4.714 -9.217 1.00 0.00 H new ATOM 145 N THR A 11 5.827 1.594 -5.647 1.00 0.00 N ATOM 146 CA THR A 11 6.281 1.101 -4.317 1.00 0.00 C ATOM 147 C THR A 11 7.791 0.866 -4.358 1.00 0.00 C ATOM 148 O THR A 11 8.503 1.162 -3.420 1.00 0.00 O ATOM 149 CB THR A 11 5.566 -0.210 -3.986 1.00 0.00 C ATOM 150 OG1 THR A 11 6.098 -0.748 -2.780 1.00 0.00 O ATOM 151 CG2 THR A 11 5.768 -1.208 -5.128 1.00 0.00 C ATOM 0 H THR A 11 5.838 0.900 -6.395 1.00 0.00 H new ATOM 0 HA THR A 11 6.047 1.841 -3.552 1.00 0.00 H new ATOM 0 HB THR A 11 4.500 -0.020 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.779 -0.221 -2.018 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.258 -2.141 -4.890 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.358 -0.795 -6.049 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.833 -1.400 -5.259 1.00 0.00 H new ATOM 159 N LYS A 12 8.280 0.340 -5.444 1.00 0.00 N ATOM 160 CA LYS A 12 9.742 0.087 -5.559 1.00 0.00 C ATOM 161 C LYS A 12 10.518 1.346 -5.151 1.00 0.00 C ATOM 162 O LYS A 12 11.406 1.279 -4.324 1.00 0.00 O ATOM 163 CB LYS A 12 10.079 -0.279 -7.005 1.00 0.00 C ATOM 164 CG LYS A 12 10.341 -1.783 -7.102 1.00 0.00 C ATOM 165 CD LYS A 12 10.845 -2.125 -8.505 1.00 0.00 C ATOM 166 CE LYS A 12 9.849 -3.062 -9.190 1.00 0.00 C ATOM 167 NZ LYS A 12 9.818 -2.767 -10.650 1.00 0.00 N ATOM 0 H LYS A 12 7.729 0.073 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 12 10.022 -0.735 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.257 0.001 -7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.956 0.276 -7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.077 -2.083 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.427 -2.336 -6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.966 -1.214 -9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.825 -2.599 -8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.136 -4.100 -9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.856 -2.932 -8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.141 -3.403 -11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.526 -1.780 -10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.765 -2.912 -11.054 1.00 0.00 H new ATOM 181 N PRO A 13 10.161 2.456 -5.746 1.00 0.00 N ATOM 182 CA PRO A 13 10.812 3.747 -5.464 1.00 0.00 C ATOM 183 C PRO A 13 10.281 4.332 -4.152 1.00 0.00 C ATOM 184 O PRO A 13 11.034 4.769 -3.305 1.00 0.00 O ATOM 185 CB PRO A 13 10.411 4.620 -6.655 1.00 0.00 C ATOM 186 CG PRO A 13 9.124 3.993 -7.241 1.00 0.00 C ATOM 187 CD PRO A 13 9.080 2.533 -6.751 1.00 0.00 C ATOM 0 HA PRO A 13 11.893 3.669 -5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.234 5.649 -6.341 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.205 4.647 -7.402 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.241 4.539 -6.909 1.00 0.00 H new ATOM 0 HG3 PRO A 13 9.134 4.036 -8.330 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.112 2.288 -6.314 1.00 0.00 H new ATOM 0 HD3 PRO A 13 9.246 1.833 -7.570 1.00 0.00 H new ATOM 195 N GLY A 14 8.988 4.338 -3.976 1.00 0.00 N ATOM 196 CA GLY A 14 8.411 4.889 -2.719 1.00 0.00 C ATOM 197 C GLY A 14 8.787 3.979 -1.550 1.00 0.00 C ATOM 198 O GLY A 14 9.672 3.154 -1.655 1.00 0.00 O ATOM 0 H GLY A 14 8.307 3.985 -4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.786 5.898 -2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.327 4.962 -2.804 1.00 0.00 H new ATOM 202 N SER A 15 8.123 4.117 -0.435 1.00 0.00 N ATOM 203 CA SER A 15 8.451 3.253 0.731 1.00 0.00 C ATOM 204 C SER A 15 7.160 2.774 1.402 1.00 0.00 C ATOM 205 O SER A 15 6.748 3.294 2.418 1.00 0.00 O ATOM 206 CB SER A 15 9.285 4.052 1.734 1.00 0.00 C ATOM 207 OG SER A 15 8.718 5.346 1.890 1.00 0.00 O ATOM 0 H SER A 15 7.370 4.788 -0.282 1.00 0.00 H new ATOM 0 HA SER A 15 9.019 2.387 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.313 3.536 2.694 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.315 4.133 1.386 1.00 0.00 H new ATOM 0 HG SER A 15 9.249 5.860 2.533 1.00 0.00 H new ATOM 213 N CYS A 16 6.523 1.777 0.845 1.00 0.00 N ATOM 214 CA CYS A 16 5.270 1.257 1.455 1.00 0.00 C ATOM 215 C CYS A 16 5.501 1.052 2.956 1.00 0.00 C ATOM 216 O CYS A 16 6.628 1.068 3.410 1.00 0.00 O ATOM 217 CB CYS A 16 4.919 -0.085 0.803 1.00 0.00 C ATOM 218 SG CYS A 16 4.128 0.174 -0.811 1.00 0.00 S ATOM 0 H CYS A 16 6.819 1.302 -0.007 1.00 0.00 H new ATOM 0 HA CYS A 16 4.453 1.962 1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.822 -0.682 0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.251 -0.648 1.455 1.00 0.00 H new ATOM 223 N PRO A 17 4.431 0.867 3.685 1.00 0.00 N ATOM 224 CA PRO A 17 4.498 0.656 5.143 1.00 0.00 C ATOM 225 C PRO A 17 4.944 -0.775 5.468 1.00 0.00 C ATOM 226 O PRO A 17 4.948 -1.188 6.611 1.00 0.00 O ATOM 227 CB PRO A 17 3.060 0.902 5.609 1.00 0.00 C ATOM 228 CG PRO A 17 2.158 0.685 4.372 1.00 0.00 C ATOM 229 CD PRO A 17 3.059 0.851 3.133 1.00 0.00 C ATOM 0 HA PRO A 17 5.219 1.310 5.634 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.789 0.217 6.412 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.946 1.913 6.000 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.706 -0.307 4.392 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.342 1.407 4.357 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.922 0.031 2.428 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.834 1.773 2.597 1.00 0.00 H new ATOM 237 N ILE A 18 5.327 -1.533 4.475 1.00 0.00 N ATOM 238 CA ILE A 18 5.778 -2.931 4.733 1.00 0.00 C ATOM 239 C ILE A 18 4.635 -3.732 5.360 1.00 0.00 C ATOM 240 O ILE A 18 4.010 -3.307 6.309 1.00 0.00 O ATOM 241 CB ILE A 18 6.977 -2.913 5.688 1.00 0.00 C ATOM 242 CG1 ILE A 18 8.222 -2.442 4.932 1.00 0.00 C ATOM 243 CG2 ILE A 18 7.222 -4.320 6.241 1.00 0.00 C ATOM 244 CD1 ILE A 18 8.644 -3.513 3.923 1.00 0.00 C ATOM 0 H ILE A 18 5.347 -1.244 3.497 1.00 0.00 H new ATOM 0 HA ILE A 18 6.071 -3.397 3.792 1.00 0.00 H new ATOM 0 HB ILE A 18 6.768 -2.233 6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.014 -1.504 4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.034 -2.248 5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.075 -4.301 6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.337 -4.658 6.781 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.428 -5.004 5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.530 -3.177 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.869 -4.440 4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.833 -3.685 3.215 1.00 0.00 H new ATOM 256 N ILE A 19 4.369 -4.895 4.834 1.00 0.00 N ATOM 257 CA ILE A 19 3.277 -5.739 5.393 1.00 0.00 C ATOM 258 C ILE A 19 3.803 -7.169 5.565 1.00 0.00 C ATOM 259 O ILE A 19 4.920 -7.371 5.997 1.00 0.00 O ATOM 260 CB ILE A 19 2.080 -5.729 4.438 1.00 0.00 C ATOM 261 CG1 ILE A 19 2.025 -4.394 3.695 1.00 0.00 C ATOM 262 CG2 ILE A 19 0.791 -5.907 5.241 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.708 -3.276 4.688 1.00 0.00 C ATOM 0 H ILE A 19 4.863 -5.299 4.038 1.00 0.00 H new ATOM 0 HA ILE A 19 2.956 -5.348 6.359 1.00 0.00 H new ATOM 0 HB ILE A 19 2.185 -6.542 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.978 -4.199 3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.264 -4.430 2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.063 -5.900 4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.823 -6.857 5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.693 -5.091 5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.668 -2.322 4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.745 -3.471 5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.485 -3.237 5.452 1.00 0.00 H new ATOM 275 N LEU A 20 3.024 -8.165 5.228 1.00 0.00 N ATOM 276 CA LEU A 20 3.514 -9.565 5.374 1.00 0.00 C ATOM 277 C LEU A 20 2.658 -10.507 4.523 1.00 0.00 C ATOM 278 O LEU A 20 3.166 -11.403 3.880 1.00 0.00 O ATOM 279 CB LEU A 20 3.464 -9.985 6.852 1.00 0.00 C ATOM 280 CG LEU A 20 2.044 -10.397 7.254 1.00 0.00 C ATOM 281 CD1 LEU A 20 2.092 -11.083 8.619 1.00 0.00 C ATOM 282 CD2 LEU A 20 1.148 -9.158 7.344 1.00 0.00 C ATOM 0 H LEU A 20 2.077 -8.069 4.861 1.00 0.00 H new ATOM 0 HA LEU A 20 4.546 -9.622 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.150 -10.815 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.800 -9.160 7.480 1.00 0.00 H new ATOM 0 HG LEU A 20 1.639 -11.079 6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.085 -11.380 8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.728 -11.966 8.560 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.497 -10.393 9.359 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.140 -9.458 7.630 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.549 -8.473 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.117 -8.660 6.375 1.00 0.00 H new ATOM 294 N ILE A 21 1.366 -10.316 4.506 1.00 0.00 N ATOM 295 CA ILE A 21 0.500 -11.211 3.687 1.00 0.00 C ATOM 296 C ILE A 21 -0.781 -10.461 3.291 1.00 0.00 C ATOM 297 O ILE A 21 -0.756 -9.600 2.434 1.00 0.00 O ATOM 298 CB ILE A 21 0.162 -12.475 4.489 1.00 0.00 C ATOM 299 CG1 ILE A 21 1.448 -13.266 4.767 1.00 0.00 C ATOM 300 CG2 ILE A 21 -0.803 -13.354 3.689 1.00 0.00 C ATOM 301 CD1 ILE A 21 2.058 -13.747 3.446 1.00 0.00 C ATOM 0 H ILE A 21 0.876 -9.584 5.020 1.00 0.00 H new ATOM 0 HA ILE A 21 1.027 -11.506 2.780 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.304 -12.185 5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.163 -12.640 5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.229 -14.119 5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.040 -14.250 4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.719 -12.799 3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.338 -13.640 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.970 -14.308 3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.345 -14.389 2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.293 -12.887 2.819 1.00 0.00 H new ATOM 313 N ARG A 22 -1.901 -10.768 3.898 1.00 0.00 N ATOM 314 CA ARG A 22 -3.154 -10.051 3.526 1.00 0.00 C ATOM 315 C ARG A 22 -4.368 -10.736 4.163 1.00 0.00 C ATOM 316 O ARG A 22 -5.395 -10.894 3.538 1.00 0.00 O ATOM 317 CB ARG A 22 -3.308 -10.056 2.007 1.00 0.00 C ATOM 318 CG ARG A 22 -3.218 -8.622 1.487 1.00 0.00 C ATOM 319 CD ARG A 22 -2.305 -8.574 0.261 1.00 0.00 C ATOM 320 NE ARG A 22 -2.938 -9.323 -0.862 1.00 0.00 N ATOM 321 CZ ARG A 22 -2.513 -9.154 -2.085 1.00 0.00 C ATOM 322 NH1 ARG A 22 -1.236 -9.006 -2.318 1.00 0.00 N ATOM 323 NH2 ARG A 22 -3.364 -9.132 -3.076 1.00 0.00 N ATOM 0 H ARG A 22 -1.999 -11.476 4.626 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.096 -9.025 3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.530 -10.669 1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.265 -10.497 1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.211 -8.256 1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.831 -7.966 2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.127 -7.539 -0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.334 -9.009 0.500 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.705 -9.969 -0.674 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.571 -9.023 -1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.904 -8.874 -3.273 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.361 -9.247 -2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.031 -9.000 -4.031 1.00 0.00 H new ATOM 337 N CYS A 23 -4.253 -11.129 5.404 1.00 0.00 N ATOM 338 CA CYS A 23 -5.388 -11.801 6.112 1.00 0.00 C ATOM 339 C CYS A 23 -6.074 -12.839 5.211 1.00 0.00 C ATOM 340 O CYS A 23 -6.783 -12.517 4.283 1.00 0.00 O ATOM 341 CB CYS A 23 -6.402 -10.753 6.597 1.00 0.00 C ATOM 342 SG CYS A 23 -7.414 -10.134 5.230 1.00 0.00 S ATOM 0 H CYS A 23 -3.410 -11.012 5.967 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.984 -12.329 6.975 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.046 -11.192 7.359 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.874 -9.923 7.066 1.00 0.00 H new ATOM 347 N ALA A 24 -5.886 -14.099 5.492 1.00 0.00 N ATOM 348 CA ALA A 24 -6.558 -15.139 4.664 1.00 0.00 C ATOM 349 C ALA A 24 -8.039 -15.138 5.033 1.00 0.00 C ATOM 350 O ALA A 24 -8.480 -15.907 5.862 1.00 0.00 O ATOM 351 CB ALA A 24 -5.952 -16.511 4.962 1.00 0.00 C ATOM 0 H ALA A 24 -5.302 -14.451 6.251 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.427 -14.927 3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.447 -17.268 4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.887 -16.497 4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.088 -16.748 6.017 1.00 0.00 H new ATOM 357 N MET A 25 -8.804 -14.261 4.445 1.00 0.00 N ATOM 358 CA MET A 25 -10.249 -14.183 4.783 1.00 0.00 C ATOM 359 C MET A 25 -10.957 -13.293 3.758 1.00 0.00 C ATOM 360 O MET A 25 -10.960 -12.083 3.869 1.00 0.00 O ATOM 361 CB MET A 25 -10.391 -13.569 6.180 1.00 0.00 C ATOM 362 CG MET A 25 -10.250 -14.663 7.240 1.00 0.00 C ATOM 363 SD MET A 25 -11.548 -14.463 8.487 1.00 0.00 S ATOM 364 CE MET A 25 -11.715 -16.209 8.933 1.00 0.00 C ATOM 0 H MET A 25 -8.487 -13.593 3.742 1.00 0.00 H new ATOM 0 HA MET A 25 -10.695 -15.177 4.767 1.00 0.00 H new ATOM 0 HB2 MET A 25 -9.630 -12.803 6.330 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.360 -13.079 6.276 1.00 0.00 H new ATOM 0 HG2 MET A 25 -10.325 -15.646 6.776 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.268 -14.606 7.709 1.00 0.00 H new ATOM 0 HE1 MET A 25 -12.479 -16.316 9.703 1.00 0.00 H new ATOM 0 HE2 MET A 25 -12.004 -16.783 8.053 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.763 -16.580 9.312 1.00 0.00 H new ATOM 374 N LEU A 26 -11.549 -13.880 2.756 1.00 0.00 N ATOM 375 CA LEU A 26 -12.249 -13.067 1.721 1.00 0.00 C ATOM 376 C LEU A 26 -13.108 -11.996 2.396 1.00 0.00 C ATOM 377 O LEU A 26 -13.802 -12.261 3.357 1.00 0.00 O ATOM 378 CB LEU A 26 -13.144 -13.981 0.881 1.00 0.00 C ATOM 379 CG LEU A 26 -13.919 -13.147 -0.139 1.00 0.00 C ATOM 380 CD1 LEU A 26 -13.932 -13.872 -1.486 1.00 0.00 C ATOM 381 CD2 LEU A 26 -15.358 -12.959 0.349 1.00 0.00 C ATOM 0 H LEU A 26 -11.579 -14.889 2.608 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.511 -12.584 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.538 -14.729 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.837 -14.520 1.526 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.440 -12.174 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.485 -13.278 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.908 -14.012 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.412 -14.844 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -15.913 -12.364 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -15.834 -13.933 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.352 -12.445 1.310 1.00 0.00 H new ATOM 393 N ASN A 27 -13.072 -10.788 1.897 1.00 0.00 N ATOM 394 CA ASN A 27 -13.894 -9.702 2.504 1.00 0.00 C ATOM 395 C ASN A 27 -13.401 -8.333 2.028 1.00 0.00 C ATOM 396 O ASN A 27 -14.174 -7.531 1.546 1.00 0.00 O ATOM 397 CB ASN A 27 -13.817 -9.782 4.032 1.00 0.00 C ATOM 398 CG ASN A 27 -15.175 -10.213 4.592 1.00 0.00 C ATOM 399 OD1 ASN A 27 -15.547 -9.822 5.680 1.00 0.00 O ATOM 400 ND2 ASN A 27 -15.938 -11.010 3.891 1.00 0.00 N ATOM 0 H ASN A 27 -12.508 -10.507 1.095 1.00 0.00 H new ATOM 0 HA ASN A 27 -14.930 -9.830 2.191 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.047 -10.493 4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.533 -8.813 4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -16.844 -11.302 4.258 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -15.628 -11.340 2.977 1.00 0.00 H new ATOM 407 N PRO A 28 -12.128 -8.107 2.183 1.00 0.00 N ATOM 408 CA PRO A 28 -11.491 -6.840 1.783 1.00 0.00 C ATOM 409 C PRO A 28 -11.222 -6.832 0.270 1.00 0.00 C ATOM 410 O PRO A 28 -10.387 -7.573 -0.208 1.00 0.00 O ATOM 411 CB PRO A 28 -10.177 -6.851 2.567 1.00 0.00 C ATOM 412 CG PRO A 28 -9.883 -8.334 2.905 1.00 0.00 C ATOM 413 CD PRO A 28 -11.205 -9.092 2.774 1.00 0.00 C ATOM 0 HA PRO A 28 -12.104 -5.962 1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.369 -6.419 1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.262 -6.255 3.476 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.135 -8.743 2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.483 -8.428 3.915 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.099 -9.971 2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.562 -9.441 3.743 1.00 0.00 H new ATOM 421 N PRO A 29 -11.939 -5.997 -0.443 1.00 0.00 N ATOM 422 CA PRO A 29 -11.789 -5.883 -1.903 1.00 0.00 C ATOM 423 C PRO A 29 -10.538 -5.064 -2.251 1.00 0.00 C ATOM 424 O PRO A 29 -9.433 -5.570 -2.218 1.00 0.00 O ATOM 425 CB PRO A 29 -13.071 -5.169 -2.341 1.00 0.00 C ATOM 426 CG PRO A 29 -13.595 -4.415 -1.095 1.00 0.00 C ATOM 427 CD PRO A 29 -12.958 -5.093 0.132 1.00 0.00 C ATOM 0 HA PRO A 29 -11.660 -6.843 -2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.871 -4.477 -3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.810 -5.884 -2.702 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.324 -3.360 -1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.683 -4.463 -1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -12.508 -4.361 0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.698 -5.644 0.712 1.00 0.00 H new ATOM 435 N ASN A 30 -10.691 -3.806 -2.583 1.00 0.00 N ATOM 436 CA ASN A 30 -9.502 -2.973 -2.926 1.00 0.00 C ATOM 437 C ASN A 30 -9.881 -1.491 -2.843 1.00 0.00 C ATOM 438 O ASN A 30 -10.725 -1.018 -3.576 1.00 0.00 O ATOM 439 CB ASN A 30 -9.022 -3.284 -4.351 1.00 0.00 C ATOM 440 CG ASN A 30 -9.402 -4.710 -4.742 1.00 0.00 C ATOM 441 OD1 ASN A 30 -10.568 -5.042 -4.824 1.00 0.00 O ATOM 442 ND2 ASN A 30 -8.459 -5.572 -4.991 1.00 0.00 N ATOM 0 H ASN A 30 -11.588 -3.322 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.701 -3.199 -2.222 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.465 -2.578 -5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.941 -3.159 -4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.698 -6.528 -5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.481 -5.292 -4.922 1.00 0.00 H new ATOM 449 N ARG A 31 -9.261 -0.752 -1.961 1.00 0.00 N ATOM 450 CA ARG A 31 -9.591 0.696 -1.844 1.00 0.00 C ATOM 451 C ARG A 31 -8.837 1.479 -2.919 1.00 0.00 C ATOM 452 O ARG A 31 -9.260 2.536 -3.344 1.00 0.00 O ATOM 453 CB ARG A 31 -9.174 1.201 -0.462 1.00 0.00 C ATOM 454 CG ARG A 31 -10.415 1.368 0.416 1.00 0.00 C ATOM 455 CD ARG A 31 -10.224 2.573 1.335 1.00 0.00 C ATOM 456 NE ARG A 31 -11.363 2.658 2.293 1.00 0.00 N ATOM 457 CZ ARG A 31 -12.428 3.346 1.982 1.00 0.00 C ATOM 458 NH1 ARG A 31 -13.308 2.851 1.156 1.00 0.00 N ATOM 459 NH2 ARG A 31 -12.615 4.529 2.500 1.00 0.00 N ATOM 0 H ARG A 31 -8.543 -1.088 -1.319 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.664 0.837 -1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.481 0.498 -0.000 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.650 2.152 -0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.299 1.507 -0.206 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.580 0.467 1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.284 2.482 1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.163 3.487 0.745 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.310 2.178 3.192 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.164 1.925 0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.140 3.390 0.914 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.929 4.916 3.148 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.447 5.066 2.257 1.00 0.00 H new ATOM 473 N CYS A 32 -7.723 0.967 -3.364 1.00 0.00 N ATOM 474 CA CYS A 32 -6.940 1.680 -4.412 1.00 0.00 C ATOM 475 C CYS A 32 -6.153 0.662 -5.235 1.00 0.00 C ATOM 476 O CYS A 32 -6.275 -0.531 -5.044 1.00 0.00 O ATOM 477 CB CYS A 32 -5.973 2.661 -3.749 1.00 0.00 C ATOM 478 SG CYS A 32 -4.897 1.765 -2.604 1.00 0.00 S ATOM 0 H CYS A 32 -7.321 0.085 -3.047 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.619 2.229 -5.065 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.375 3.167 -4.507 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.529 3.432 -3.215 1.00 0.00 H new ATOM 483 N LEU A 33 -5.348 1.120 -6.155 1.00 0.00 N ATOM 484 CA LEU A 33 -4.566 0.173 -6.987 1.00 0.00 C ATOM 485 C LEU A 33 -3.827 0.949 -8.079 1.00 0.00 C ATOM 486 O LEU A 33 -2.731 0.595 -8.467 1.00 0.00 O ATOM 487 CB LEU A 33 -5.514 -0.849 -7.625 1.00 0.00 C ATOM 488 CG LEU A 33 -6.845 -0.181 -7.977 1.00 0.00 C ATOM 489 CD1 LEU A 33 -7.148 -0.398 -9.460 1.00 0.00 C ATOM 490 CD2 LEU A 33 -7.966 -0.802 -7.136 1.00 0.00 C ATOM 0 H LEU A 33 -5.201 2.108 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.841 -0.351 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.059 -1.268 -8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.684 -1.678 -6.938 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.780 0.887 -7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.096 0.078 -9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.352 0.040 -10.062 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.213 -1.466 -9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.914 -0.327 -7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.029 -1.870 -7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.753 -0.652 -6.078 1.00 0.00 H new ATOM 502 N LYS A 34 -4.412 2.006 -8.583 1.00 0.00 N ATOM 503 CA LYS A 34 -3.730 2.786 -9.644 1.00 0.00 C ATOM 504 C LYS A 34 -4.603 3.964 -10.083 1.00 0.00 C ATOM 505 O LYS A 34 -5.723 3.790 -10.521 1.00 0.00 O ATOM 506 CB LYS A 34 -3.476 1.874 -10.832 1.00 0.00 C ATOM 507 CG LYS A 34 -1.983 1.604 -10.931 1.00 0.00 C ATOM 508 CD LYS A 34 -1.438 2.300 -12.175 1.00 0.00 C ATOM 509 CE LYS A 34 0.086 2.401 -12.085 1.00 0.00 C ATOM 510 NZ LYS A 34 0.680 2.199 -13.437 1.00 0.00 N ATOM 0 H LYS A 34 -5.328 2.357 -8.303 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.788 3.175 -9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.022 0.938 -10.713 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.837 2.339 -11.749 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.473 1.971 -10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.796 0.532 -10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.723 1.744 -13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.873 3.295 -12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.374 3.376 -11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.470 1.652 -11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.716 2.268 -13.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.416 1.259 -13.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.323 2.929 -14.086 1.00 0.00 H new ATOM 524 N ASP A 35 -4.091 5.160 -9.979 1.00 0.00 N ATOM 525 CA ASP A 35 -4.879 6.354 -10.397 1.00 0.00 C ATOM 526 C ASP A 35 -6.320 6.213 -9.911 1.00 0.00 C ATOM 527 O ASP A 35 -7.184 5.742 -10.623 1.00 0.00 O ATOM 528 CB ASP A 35 -4.864 6.466 -11.922 1.00 0.00 C ATOM 529 CG ASP A 35 -4.398 7.865 -12.328 1.00 0.00 C ATOM 530 OD1 ASP A 35 -3.347 8.275 -11.866 1.00 0.00 O ATOM 531 OD2 ASP A 35 -5.103 8.504 -13.091 1.00 0.00 O ATOM 0 H ASP A 35 -3.157 5.362 -9.621 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.437 7.250 -9.962 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.200 5.713 -12.346 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.860 6.273 -12.321 1.00 0.00 H new ATOM 536 N THR A 36 -6.587 6.621 -8.704 1.00 0.00 N ATOM 537 CA THR A 36 -7.974 6.513 -8.174 1.00 0.00 C ATOM 538 C THR A 36 -8.095 7.353 -6.903 1.00 0.00 C ATOM 539 O THR A 36 -9.097 7.995 -6.665 1.00 0.00 O ATOM 540 CB THR A 36 -8.290 5.049 -7.856 1.00 0.00 C ATOM 541 OG1 THR A 36 -9.262 4.990 -6.823 1.00 0.00 O ATOM 542 CG2 THR A 36 -7.015 4.335 -7.400 1.00 0.00 C ATOM 0 H THR A 36 -5.906 7.025 -8.061 1.00 0.00 H new ATOM 0 HA THR A 36 -8.680 6.878 -8.920 1.00 0.00 H new ATOM 0 HB THR A 36 -8.677 4.559 -8.749 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.466 4.053 -6.619 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.242 3.293 -7.174 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.269 4.380 -8.194 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.624 4.823 -6.507 1.00 0.00 H new ATOM 550 N ASP A 37 -7.080 7.353 -6.086 1.00 0.00 N ATOM 551 CA ASP A 37 -7.135 8.152 -4.832 1.00 0.00 C ATOM 552 C ASP A 37 -5.735 8.213 -4.212 1.00 0.00 C ATOM 553 O ASP A 37 -4.746 8.309 -4.908 1.00 0.00 O ATOM 554 CB ASP A 37 -8.114 7.495 -3.855 1.00 0.00 C ATOM 555 CG ASP A 37 -8.813 8.577 -3.031 1.00 0.00 C ATOM 556 OD1 ASP A 37 -8.189 9.594 -2.776 1.00 0.00 O ATOM 557 OD2 ASP A 37 -9.959 8.371 -2.670 1.00 0.00 O ATOM 0 H ASP A 37 -6.214 6.834 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.475 9.164 -5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.851 6.906 -4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.582 6.808 -3.197 1.00 0.00 H new ATOM 562 N CYS A 38 -5.640 8.161 -2.912 1.00 0.00 N ATOM 563 CA CYS A 38 -4.297 8.217 -2.264 1.00 0.00 C ATOM 564 C CYS A 38 -3.483 9.364 -2.876 1.00 0.00 C ATOM 565 O CYS A 38 -2.434 9.138 -3.447 1.00 0.00 O ATOM 566 CB CYS A 38 -3.541 6.896 -2.486 1.00 0.00 C ATOM 567 SG CYS A 38 -4.700 5.541 -2.823 1.00 0.00 S ATOM 0 H CYS A 38 -6.430 8.082 -2.272 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.431 8.380 -1.195 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.848 7.004 -3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.945 6.660 -1.605 1.00 0.00 H new ATOM 572 N PRO A 39 -3.994 10.563 -2.742 1.00 0.00 N ATOM 573 CA PRO A 39 -3.336 11.771 -3.274 1.00 0.00 C ATOM 574 C PRO A 39 -2.198 12.219 -2.349 1.00 0.00 C ATOM 575 O PRO A 39 -1.937 11.611 -1.330 1.00 0.00 O ATOM 576 CB PRO A 39 -4.459 12.811 -3.292 1.00 0.00 C ATOM 577 CG PRO A 39 -5.509 12.335 -2.260 1.00 0.00 C ATOM 578 CD PRO A 39 -5.273 10.827 -2.053 1.00 0.00 C ATOM 0 HA PRO A 39 -2.886 11.614 -4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.078 13.799 -3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.899 12.891 -4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.401 12.876 -1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.520 12.523 -2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.215 10.575 -0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.084 10.235 -2.478 1.00 0.00 H new ATOM 586 N GLY A 40 -1.525 13.284 -2.696 1.00 0.00 N ATOM 587 CA GLY A 40 -0.409 13.780 -1.839 1.00 0.00 C ATOM 588 C GLY A 40 0.476 12.612 -1.397 1.00 0.00 C ATOM 589 O GLY A 40 0.460 11.549 -1.985 1.00 0.00 O ATOM 0 H GLY A 40 -1.701 13.833 -3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.186 14.509 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.812 14.292 -0.965 1.00 0.00 H new ATOM 593 N ILE A 41 1.250 12.809 -0.363 1.00 0.00 N ATOM 594 CA ILE A 41 2.144 11.724 0.132 1.00 0.00 C ATOM 595 C ILE A 41 1.399 10.387 0.110 1.00 0.00 C ATOM 596 O ILE A 41 1.952 9.363 -0.234 1.00 0.00 O ATOM 597 CB ILE A 41 2.572 12.044 1.566 1.00 0.00 C ATOM 598 CG1 ILE A 41 3.227 10.812 2.195 1.00 0.00 C ATOM 599 CG2 ILE A 41 1.346 12.443 2.390 1.00 0.00 C ATOM 600 CD1 ILE A 41 4.130 11.250 3.348 1.00 0.00 C ATOM 0 H ILE A 41 1.301 13.681 0.163 1.00 0.00 H new ATOM 0 HA ILE A 41 3.022 11.655 -0.510 1.00 0.00 H new ATOM 0 HB ILE A 41 3.286 12.868 1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.462 10.125 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.809 10.274 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.652 12.671 3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.880 13.323 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.631 11.620 2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.597 10.374 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.903 11.920 2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.535 11.769 4.099 1.00 0.00 H new ATOM 612 N LYS A 42 0.149 10.390 0.482 1.00 0.00 N ATOM 613 CA LYS A 42 -0.627 9.119 0.492 1.00 0.00 C ATOM 614 C LYS A 42 -0.529 8.439 -0.875 1.00 0.00 C ATOM 615 O LYS A 42 -0.685 9.063 -1.906 1.00 0.00 O ATOM 616 CB LYS A 42 -2.093 9.418 0.805 1.00 0.00 C ATOM 617 CG LYS A 42 -2.224 9.852 2.265 1.00 0.00 C ATOM 618 CD LYS A 42 -3.433 9.158 2.898 1.00 0.00 C ATOM 619 CE LYS A 42 -4.450 10.210 3.346 1.00 0.00 C ATOM 620 NZ LYS A 42 -5.832 9.705 3.104 1.00 0.00 N ATOM 0 H LYS A 42 -0.368 11.217 0.779 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.217 8.456 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.464 10.203 0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.703 8.534 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.317 9.598 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.340 10.934 2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.891 8.477 2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.116 8.558 3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.314 10.434 4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.291 11.140 2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.522 10.421 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.959 9.512 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.981 8.829 3.644 1.00 0.00 H new ATOM 634 N LYS A 43 -0.283 7.159 -0.886 1.00 0.00 N ATOM 635 CA LYS A 43 -0.184 6.426 -2.177 1.00 0.00 C ATOM 636 C LYS A 43 -0.653 4.986 -1.969 1.00 0.00 C ATOM 637 O LYS A 43 -0.506 4.424 -0.902 1.00 0.00 O ATOM 638 CB LYS A 43 1.268 6.431 -2.663 1.00 0.00 C ATOM 639 CG LYS A 43 1.444 7.518 -3.725 1.00 0.00 C ATOM 640 CD LYS A 43 2.536 8.495 -3.283 1.00 0.00 C ATOM 641 CE LYS A 43 2.586 9.677 -4.251 1.00 0.00 C ATOM 642 NZ LYS A 43 3.873 10.408 -4.077 1.00 0.00 N ATOM 0 H LYS A 43 -0.146 6.587 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.810 6.912 -2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.943 6.612 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.528 5.457 -3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.711 7.067 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.505 8.050 -3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.335 8.848 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.502 7.990 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.492 9.324 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.747 10.348 -4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.907 11.212 -4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.945 10.757 -3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.667 9.765 -4.274 1.00 0.00 H new ATOM 656 N CYS A 44 -1.224 4.382 -2.974 1.00 0.00 N ATOM 657 CA CYS A 44 -1.706 2.983 -2.820 1.00 0.00 C ATOM 658 C CYS A 44 -0.526 2.059 -2.525 1.00 0.00 C ATOM 659 O CYS A 44 0.430 1.994 -3.272 1.00 0.00 O ATOM 660 CB CYS A 44 -2.393 2.533 -4.111 1.00 0.00 C ATOM 661 SG CYS A 44 -3.405 1.071 -3.775 1.00 0.00 S ATOM 0 H CYS A 44 -1.377 4.797 -3.893 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.415 2.938 -1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.015 3.337 -4.504 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.647 2.305 -4.873 1.00 0.00 H new ATOM 666 N CYS A 45 -0.592 1.335 -1.443 1.00 0.00 N ATOM 667 CA CYS A 45 0.514 0.403 -1.095 1.00 0.00 C ATOM 668 C CYS A 45 -0.088 -0.944 -0.696 1.00 0.00 C ATOM 669 O CYS A 45 -1.269 -1.179 -0.868 1.00 0.00 O ATOM 670 CB CYS A 45 1.323 0.974 0.068 1.00 0.00 C ATOM 671 SG CYS A 45 2.853 1.723 -0.551 1.00 0.00 S ATOM 0 H CYS A 45 -1.369 1.349 -0.782 1.00 0.00 H new ATOM 0 HA CYS A 45 1.175 0.274 -1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.733 1.720 0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.558 0.184 0.781 1.00 0.00 H new ATOM 676 N GLU A 46 0.705 -1.831 -0.167 1.00 0.00 N ATOM 677 CA GLU A 46 0.163 -3.157 0.236 1.00 0.00 C ATOM 678 C GLU A 46 -0.276 -3.107 1.699 1.00 0.00 C ATOM 679 O GLU A 46 0.114 -2.230 2.444 1.00 0.00 O ATOM 680 CB GLU A 46 1.244 -4.227 0.059 1.00 0.00 C ATOM 681 CG GLU A 46 1.576 -4.374 -1.428 1.00 0.00 C ATOM 682 CD GLU A 46 2.821 -5.249 -1.590 1.00 0.00 C ATOM 683 OE1 GLU A 46 2.689 -6.458 -1.497 1.00 0.00 O ATOM 684 OE2 GLU A 46 3.887 -4.694 -1.804 1.00 0.00 O ATOM 0 H GLU A 46 1.702 -1.696 0.003 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.695 -3.404 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.139 -3.951 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.898 -5.179 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.734 -4.820 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.748 -3.393 -1.872 1.00 0.00 H new ATOM 691 N GLY A 47 -1.086 -4.041 2.116 1.00 0.00 N ATOM 692 CA GLY A 47 -1.554 -4.052 3.532 1.00 0.00 C ATOM 693 C GLY A 47 -1.674 -5.495 4.009 1.00 0.00 C ATOM 694 O GLY A 47 -1.585 -6.425 3.233 1.00 0.00 O ATOM 0 H GLY A 47 -1.445 -4.799 1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.854 -3.505 4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.517 -3.548 3.613 1.00 0.00 H new ATOM 698 N SER A 48 -1.860 -5.695 5.284 1.00 0.00 N ATOM 699 CA SER A 48 -1.965 -7.085 5.803 1.00 0.00 C ATOM 700 C SER A 48 -3.401 -7.588 5.662 1.00 0.00 C ATOM 701 O SER A 48 -3.766 -8.602 6.221 1.00 0.00 O ATOM 702 CB SER A 48 -1.549 -7.117 7.275 1.00 0.00 C ATOM 703 OG SER A 48 -1.851 -5.865 7.878 1.00 0.00 O ATOM 0 H SER A 48 -1.943 -4.959 5.985 1.00 0.00 H new ATOM 0 HA SER A 48 -1.304 -7.732 5.226 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.072 -7.919 7.795 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.482 -7.326 7.359 1.00 0.00 H new ATOM 0 HG SER A 48 -1.587 -5.884 8.822 1.00 0.00 H new ATOM 709 N CYS A 49 -4.213 -6.898 4.908 1.00 0.00 N ATOM 710 CA CYS A 49 -5.620 -7.349 4.719 1.00 0.00 C ATOM 711 C CYS A 49 -6.380 -6.337 3.858 1.00 0.00 C ATOM 712 O CYS A 49 -7.243 -5.627 4.336 1.00 0.00 O ATOM 713 CB CYS A 49 -6.316 -7.484 6.075 1.00 0.00 C ATOM 714 SG CYS A 49 -7.918 -8.279 5.831 1.00 0.00 S ATOM 0 H CYS A 49 -3.962 -6.041 4.415 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.612 -8.318 4.220 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.703 -8.073 6.757 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.447 -6.503 6.531 1.00 0.00 H new ATOM 719 N GLY A 50 -6.076 -6.271 2.590 1.00 0.00 N ATOM 720 CA GLY A 50 -6.791 -5.312 1.701 1.00 0.00 C ATOM 721 C GLY A 50 -5.905 -4.096 1.423 1.00 0.00 C ATOM 722 O GLY A 50 -5.773 -3.210 2.245 1.00 0.00 O ATOM 0 H GLY A 50 -5.364 -6.840 2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.056 -5.801 0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.722 -4.994 2.170 1.00 0.00 H new ATOM 726 N MET A 51 -5.302 -4.043 0.266 1.00 0.00 N ATOM 727 CA MET A 51 -4.430 -2.879 -0.068 1.00 0.00 C ATOM 728 C MET A 51 -5.183 -1.582 0.236 1.00 0.00 C ATOM 729 O MET A 51 -6.375 -1.589 0.479 1.00 0.00 O ATOM 730 CB MET A 51 -4.071 -2.925 -1.556 1.00 0.00 C ATOM 731 CG MET A 51 -2.747 -3.669 -1.742 1.00 0.00 C ATOM 732 SD MET A 51 -2.869 -4.764 -3.180 1.00 0.00 S ATOM 733 CE MET A 51 -2.014 -6.186 -2.458 1.00 0.00 C ATOM 0 H MET A 51 -5.375 -4.754 -0.462 1.00 0.00 H new ATOM 0 HA MET A 51 -3.518 -2.920 0.527 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.862 -3.424 -2.116 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.990 -1.913 -1.952 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.934 -2.957 -1.881 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.514 -4.248 -0.849 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.493 -6.735 -3.243 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.293 -5.840 -1.718 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.740 -6.842 -1.978 1.00 0.00 H new ATOM 743 N ALA A 52 -4.504 -0.465 0.229 1.00 0.00 N ATOM 744 CA ALA A 52 -5.198 0.822 0.522 1.00 0.00 C ATOM 745 C ALA A 52 -4.205 1.983 0.444 1.00 0.00 C ATOM 746 O ALA A 52 -3.009 1.786 0.376 1.00 0.00 O ATOM 747 CB ALA A 52 -5.794 0.768 1.927 1.00 0.00 C ATOM 0 H ALA A 52 -3.506 -0.389 0.034 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.989 0.974 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.302 1.708 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.509 -0.053 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.998 0.610 2.654 1.00 0.00 H new ATOM 753 N CYS A 53 -4.694 3.194 0.456 1.00 0.00 N ATOM 754 CA CYS A 53 -3.787 4.368 0.383 1.00 0.00 C ATOM 755 C CYS A 53 -2.975 4.479 1.671 1.00 0.00 C ATOM 756 O CYS A 53 -3.444 4.977 2.675 1.00 0.00 O ATOM 757 CB CYS A 53 -4.620 5.635 0.200 1.00 0.00 C ATOM 758 SG CYS A 53 -5.808 5.394 -1.141 1.00 0.00 S ATOM 0 H CYS A 53 -5.687 3.418 0.514 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.107 4.246 -0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.145 5.874 1.125 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.970 6.480 -0.025 1.00 0.00 H new ATOM 763 N PHE A 54 -1.754 4.025 1.648 1.00 0.00 N ATOM 764 CA PHE A 54 -0.904 4.112 2.865 1.00 0.00 C ATOM 765 C PHE A 54 -0.106 5.419 2.825 1.00 0.00 C ATOM 766 O PHE A 54 -0.356 6.284 2.010 1.00 0.00 O ATOM 767 CB PHE A 54 0.063 2.927 2.887 1.00 0.00 C ATOM 768 CG PHE A 54 -0.697 1.633 3.069 1.00 0.00 C ATOM 769 CD1 PHE A 54 -1.161 0.914 1.956 1.00 0.00 C ATOM 770 CD2 PHE A 54 -0.923 1.140 4.358 1.00 0.00 C ATOM 771 CE1 PHE A 54 -1.845 -0.295 2.140 1.00 0.00 C ATOM 772 CE2 PHE A 54 -1.608 -0.066 4.541 1.00 0.00 C ATOM 773 CZ PHE A 54 -2.068 -0.784 3.433 1.00 0.00 C ATOM 0 H PHE A 54 -1.308 3.597 0.837 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.529 4.090 3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.631 2.895 1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.783 3.051 3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.991 1.292 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.567 1.692 5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.200 -0.850 1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.782 -0.442 5.538 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.595 -1.716 3.574 1.00 0.00 H new ATOM 783 N VAL A 55 0.854 5.571 3.698 1.00 0.00 N ATOM 784 CA VAL A 55 1.667 6.820 3.707 1.00 0.00 C ATOM 785 C VAL A 55 3.148 6.456 3.528 1.00 0.00 C ATOM 786 O VAL A 55 3.774 5.972 4.450 1.00 0.00 O ATOM 787 CB VAL A 55 1.486 7.550 5.045 1.00 0.00 C ATOM 788 CG1 VAL A 55 0.468 8.681 4.875 1.00 0.00 C ATOM 789 CG2 VAL A 55 0.976 6.574 6.113 1.00 0.00 C ATOM 0 H VAL A 55 1.110 4.883 4.406 1.00 0.00 H new ATOM 0 HA VAL A 55 1.341 7.470 2.895 1.00 0.00 H new ATOM 0 HB VAL A 55 2.447 7.958 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.339 9.200 5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.827 9.384 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.488 8.265 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.851 7.102 7.058 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.018 6.160 5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.696 5.766 6.241 1.00 0.00 H new ATOM 799 N PRO A 56 3.669 6.694 2.348 1.00 0.00 N ATOM 800 CA PRO A 56 5.077 6.391 2.036 1.00 0.00 C ATOM 801 C PRO A 56 6.004 7.441 2.657 1.00 0.00 C ATOM 802 O PRO A 56 5.635 8.136 3.583 1.00 0.00 O ATOM 803 CB PRO A 56 5.129 6.448 0.506 1.00 0.00 C ATOM 804 CG PRO A 56 3.928 7.315 0.063 1.00 0.00 C ATOM 805 CD PRO A 56 2.915 7.285 1.223 1.00 0.00 C ATOM 0 HA PRO A 56 5.405 5.430 2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.069 6.882 0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.066 5.448 0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.244 8.336 -0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.483 6.923 -0.851 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.557 8.286 1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.040 6.686 0.972 1.00 0.00 H new ATOM 813 N GLN A 57 7.205 7.559 2.159 1.00 0.00 N ATOM 814 CA GLN A 57 8.156 8.559 2.724 1.00 0.00 C ATOM 815 C GLN A 57 7.425 9.878 2.979 1.00 0.00 C ATOM 816 O GLN A 57 7.877 10.629 3.829 1.00 0.00 O ATOM 817 CB GLN A 57 9.303 8.791 1.738 1.00 0.00 C ATOM 818 CG GLN A 57 8.795 9.598 0.541 1.00 0.00 C ATOM 819 CD GLN A 57 9.188 11.068 0.708 1.00 0.00 C ATOM 820 OE1 GLN A 57 10.006 11.398 1.543 1.00 0.00 O ATOM 821 NE2 GLN A 57 8.636 11.969 -0.058 1.00 0.00 N ATOM 822 OXT GLN A 57 6.427 10.117 2.319 1.00 0.00 O ATOM 0 H GLN A 57 7.569 7.005 1.384 1.00 0.00 H new ATOM 0 HA GLN A 57 8.558 8.182 3.664 1.00 0.00 H new ATOM 0 HB2 GLN A 57 10.117 9.324 2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.705 7.836 1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.216 9.201 -0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.712 9.508 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.949 11.691 -0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.891 12.951 0.044 1.00 0.00 H new TER 831 GLN A 57