USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 644 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0163 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.112 USER MOD Single : A 3 SER OG : rot 32:sc= 0.576 USER MOD Single : A 5 SER OG : rot 180:sc= -0.277 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -142:sc= -0.654 (180deg=-2.29!) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= -0.0494 (180deg=-0.282) USER MOD Single : A 15 THR OG1 : rot 150:sc= -0.458 USER MOD Single : A 20 MET CE :methyl -142:sc= -1.11 (180deg=-4.02!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 63:sc= 1.13 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.454 X(o=0.45,f=-0.016) USER MOD Single : A 48 GLN : amide:sc= -2.98! C(o=-3!,f=-2.8!) USER MOD Single : A 50 HIS : no HD1:sc= -0.269 K(o=-0.27,f=-1.1) USER MOD Single : A 51 GLN : amide:sc= -0.058 K(o=-0.058,f=-1.3) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0471) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc=-0.00937 K(o=-0.0094,f=-0.98) USER MOD Single : A 65 HIS : no HE2:sc= -0.114 K(o=-0.11,f=-5.1!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0.582 K(o=0.58,f=-0.098) USER MOD Single : A 77 LYS NZ :NH3+ 153:sc= -0.519 (180deg=-0.757) USER MOD Single : A 79 MET CE :methyl -177:sc= 0 (180deg=-0.0277) USER MOD Single : A 80 ASN : amide:sc= -9.63! C(o=-9.6!,f=-9.3!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.209 -33.962 -3.364 1.00 0.00 N ATOM 2 CA GLY A 1 24.030 -33.326 -3.922 1.00 0.00 C ATOM 3 C GLY A 1 23.599 -32.107 -3.131 1.00 0.00 C ATOM 4 O GLY A 1 23.698 -32.089 -1.904 1.00 0.00 O ATOM 0 H1 GLY A 1 25.067 -34.992 -3.336 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.035 -33.742 -3.956 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.371 -33.608 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.232 -33.034 -4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.212 -34.045 -3.949 1.00 0.00 H new ATOM 8 N SER A 2 23.122 -31.085 -3.834 1.00 0.00 N ATOM 9 CA SER A 2 22.680 -29.854 -3.190 1.00 0.00 C ATOM 10 C SER A 2 21.600 -29.165 -4.018 1.00 0.00 C ATOM 11 O SER A 2 21.280 -29.598 -5.125 1.00 0.00 O ATOM 12 CB SER A 2 23.864 -28.907 -2.986 1.00 0.00 C ATOM 13 OG SER A 2 24.920 -29.551 -2.295 1.00 0.00 O ATOM 0 H SER A 2 23.032 -31.085 -4.850 1.00 0.00 H new ATOM 0 HA SER A 2 22.259 -30.112 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.221 -28.553 -3.953 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.540 -28.030 -2.425 1.00 0.00 H new ATOM 0 HG SER A 2 25.665 -28.925 -2.179 1.00 0.00 H new ATOM 19 N SER A 3 21.041 -28.089 -3.472 1.00 0.00 N ATOM 20 CA SER A 3 19.993 -27.342 -4.157 1.00 0.00 C ATOM 21 C SER A 3 19.904 -25.916 -3.621 1.00 0.00 C ATOM 22 O SER A 3 20.479 -25.594 -2.583 1.00 0.00 O ATOM 23 CB SER A 3 18.644 -28.045 -3.994 1.00 0.00 C ATOM 24 OG SER A 3 18.447 -29.012 -5.011 1.00 0.00 O ATOM 0 H SER A 3 21.297 -27.716 -2.558 1.00 0.00 H new ATOM 0 HA SER A 3 20.246 -27.299 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.596 -28.525 -3.017 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.841 -27.309 -4.027 1.00 0.00 H new ATOM 0 HG SER A 3 19.312 -29.390 -5.274 1.00 0.00 H new ATOM 30 N GLY A 4 19.177 -25.065 -4.339 1.00 0.00 N ATOM 31 CA GLY A 4 19.025 -23.683 -3.921 1.00 0.00 C ATOM 32 C GLY A 4 17.599 -23.189 -4.060 1.00 0.00 C ATOM 33 O GLY A 4 16.774 -23.829 -4.712 1.00 0.00 O ATOM 0 H GLY A 4 18.691 -25.308 -5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.341 -23.584 -2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.685 -23.052 -4.517 1.00 0.00 H new ATOM 37 N SER A 5 17.307 -22.048 -3.443 1.00 0.00 N ATOM 38 CA SER A 5 15.968 -21.472 -3.496 1.00 0.00 C ATOM 39 C SER A 5 16.019 -19.962 -3.284 1.00 0.00 C ATOM 40 O SER A 5 17.027 -19.421 -2.831 1.00 0.00 O ATOM 41 CB SER A 5 15.070 -22.117 -2.439 1.00 0.00 C ATOM 42 OG SER A 5 15.110 -23.530 -2.530 1.00 0.00 O ATOM 0 H SER A 5 17.979 -21.505 -2.901 1.00 0.00 H new ATOM 0 HA SER A 5 15.552 -21.670 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.390 -21.804 -1.445 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.045 -21.770 -2.567 1.00 0.00 H new ATOM 0 HG SER A 5 14.529 -23.919 -1.843 1.00 0.00 H new ATOM 48 N SER A 6 14.923 -19.287 -3.617 1.00 0.00 N ATOM 49 CA SER A 6 14.842 -17.839 -3.467 1.00 0.00 C ATOM 50 C SER A 6 14.793 -17.447 -1.994 1.00 0.00 C ATOM 51 O SER A 6 15.439 -16.489 -1.572 1.00 0.00 O ATOM 52 CB SER A 6 13.608 -17.298 -4.192 1.00 0.00 C ATOM 53 OG SER A 6 13.817 -15.966 -4.630 1.00 0.00 O ATOM 0 H SER A 6 14.079 -19.720 -3.992 1.00 0.00 H new ATOM 0 HA SER A 6 15.736 -17.402 -3.911 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.377 -17.933 -5.047 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.746 -17.334 -3.526 1.00 0.00 H new ATOM 0 HG SER A 6 13.015 -15.644 -5.092 1.00 0.00 H new ATOM 59 N GLY A 7 14.019 -18.196 -1.214 1.00 0.00 N ATOM 60 CA GLY A 7 13.898 -17.912 0.204 1.00 0.00 C ATOM 61 C GLY A 7 12.986 -16.734 0.484 1.00 0.00 C ATOM 62 O GLY A 7 13.281 -15.901 1.340 1.00 0.00 O ATOM 0 H GLY A 7 13.474 -18.994 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.514 -18.794 0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.886 -17.708 0.616 1.00 0.00 H new ATOM 66 N ALA A 8 11.874 -16.663 -0.241 1.00 0.00 N ATOM 67 CA ALA A 8 10.916 -15.579 -0.067 1.00 0.00 C ATOM 68 C ALA A 8 9.649 -15.829 -0.878 1.00 0.00 C ATOM 69 O ALA A 8 9.711 -16.284 -2.021 1.00 0.00 O ATOM 70 CB ALA A 8 11.544 -14.250 -0.462 1.00 0.00 C ATOM 0 H ALA A 8 11.615 -17.344 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 8 10.639 -15.539 0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.817 -13.449 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.415 -14.059 0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.851 -14.289 -1.507 1.00 0.00 H new ATOM 76 N LEU A 9 8.501 -15.531 -0.280 1.00 0.00 N ATOM 77 CA LEU A 9 7.218 -15.724 -0.947 1.00 0.00 C ATOM 78 C LEU A 9 7.327 -15.415 -2.436 1.00 0.00 C ATOM 79 O LEU A 9 7.802 -14.348 -2.827 1.00 0.00 O ATOM 80 CB LEU A 9 6.149 -14.837 -0.306 1.00 0.00 C ATOM 81 CG LEU A 9 4.698 -15.193 -0.632 1.00 0.00 C ATOM 82 CD1 LEU A 9 3.751 -14.524 0.351 1.00 0.00 C ATOM 83 CD2 LEU A 9 4.358 -14.792 -2.060 1.00 0.00 C ATOM 0 H LEU A 9 8.432 -15.155 0.666 1.00 0.00 H new ATOM 0 HA LEU A 9 6.930 -16.769 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.277 -14.873 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.327 -13.807 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 9 4.580 -16.273 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.723 -14.789 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.979 -14.861 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.871 -13.442 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.322 -15.053 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.493 -13.717 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.015 -15.319 -2.752 1.00 0.00 H new ATOM 95 N PHE A 10 6.881 -16.354 -3.264 1.00 0.00 N ATOM 96 CA PHE A 10 6.927 -16.182 -4.712 1.00 0.00 C ATOM 97 C PHE A 10 6.362 -14.823 -5.116 1.00 0.00 C ATOM 98 O PHE A 10 5.702 -14.151 -4.321 1.00 0.00 O ATOM 99 CB PHE A 10 6.144 -17.299 -5.405 1.00 0.00 C ATOM 100 CG PHE A 10 5.073 -17.904 -4.543 1.00 0.00 C ATOM 101 CD1 PHE A 10 3.969 -17.159 -4.162 1.00 0.00 C ATOM 102 CD2 PHE A 10 5.171 -19.218 -4.113 1.00 0.00 C ATOM 103 CE1 PHE A 10 2.981 -17.712 -3.370 1.00 0.00 C ATOM 104 CE2 PHE A 10 4.186 -19.777 -3.321 1.00 0.00 C ATOM 105 CZ PHE A 10 3.090 -19.023 -2.948 1.00 0.00 C ATOM 0 H PHE A 10 6.484 -17.242 -2.957 1.00 0.00 H new ATOM 0 HA PHE A 10 7.970 -16.231 -5.026 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.688 -16.903 -6.313 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.838 -18.082 -5.712 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.879 -16.133 -4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.026 -19.812 -4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.125 -17.120 -3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.273 -20.803 -2.994 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.320 -19.458 -2.328 1.00 0.00 H new ATOM 115 N HIS A 11 6.625 -14.424 -6.356 1.00 0.00 N ATOM 116 CA HIS A 11 6.143 -13.146 -6.866 1.00 0.00 C ATOM 117 C HIS A 11 4.702 -12.896 -6.432 1.00 0.00 C ATOM 118 O HIS A 11 4.402 -11.892 -5.786 1.00 0.00 O ATOM 119 CB HIS A 11 6.241 -13.112 -8.392 1.00 0.00 C ATOM 120 CG HIS A 11 7.612 -12.783 -8.897 1.00 0.00 C ATOM 121 ND1 HIS A 11 7.873 -11.708 -9.720 1.00 0.00 N ATOM 122 CD2 HIS A 11 8.803 -13.393 -8.689 1.00 0.00 C ATOM 123 CE1 HIS A 11 9.164 -11.672 -9.998 1.00 0.00 C ATOM 124 NE2 HIS A 11 9.751 -12.684 -9.384 1.00 0.00 N ATOM 0 H HIS A 11 7.169 -14.967 -7.026 1.00 0.00 H new ATOM 0 HA HIS A 11 6.771 -12.358 -6.451 1.00 0.00 H new ATOM 0 HB2 HIS A 11 5.940 -14.081 -8.789 1.00 0.00 H new ATOM 0 HB3 HIS A 11 5.535 -12.376 -8.777 1.00 0.00 H new ATOM 0 HD2 HIS A 11 8.975 -14.274 -8.088 1.00 0.00 H new ATOM 0 HE1 HIS A 11 9.656 -10.940 -10.621 1.00 0.00 H new ATOM 0 HE2 HIS A 11 10.747 -12.903 -9.420 1.00 0.00 H new ATOM 132 N LYS A 12 3.813 -13.815 -6.792 1.00 0.00 N ATOM 133 CA LYS A 12 2.403 -13.696 -6.440 1.00 0.00 C ATOM 134 C LYS A 12 2.240 -13.154 -5.023 1.00 0.00 C ATOM 135 O LYS A 12 2.488 -13.859 -4.045 1.00 0.00 O ATOM 136 CB LYS A 12 1.709 -15.055 -6.560 1.00 0.00 C ATOM 137 CG LYS A 12 0.225 -14.955 -6.867 1.00 0.00 C ATOM 138 CD LYS A 12 -0.020 -14.586 -8.320 1.00 0.00 C ATOM 139 CE LYS A 12 0.029 -15.809 -9.222 1.00 0.00 C ATOM 140 NZ LYS A 12 1.423 -16.150 -9.619 1.00 0.00 N ATOM 0 H LYS A 12 4.044 -14.651 -7.328 1.00 0.00 H new ATOM 0 HA LYS A 12 1.939 -12.995 -7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.196 -15.634 -7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.843 -15.605 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.258 -15.907 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.232 -14.207 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.992 -14.102 -8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.729 -13.863 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.420 -16.658 -8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.568 -15.626 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.433 -16.472 -10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.027 -15.309 -9.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.784 -16.907 -9.004 1.00 0.00 H new ATOM 154 N LYS A 13 1.820 -11.897 -4.920 1.00 0.00 N ATOM 155 CA LYS A 13 1.621 -11.260 -3.624 1.00 0.00 C ATOM 156 C LYS A 13 0.256 -10.584 -3.554 1.00 0.00 C ATOM 157 O LYS A 13 0.106 -9.423 -3.939 1.00 0.00 O ATOM 158 CB LYS A 13 2.725 -10.234 -3.362 1.00 0.00 C ATOM 159 CG LYS A 13 3.992 -10.837 -2.782 1.00 0.00 C ATOM 160 CD LYS A 13 3.936 -10.901 -1.265 1.00 0.00 C ATOM 161 CE LYS A 13 5.326 -10.834 -0.652 1.00 0.00 C ATOM 162 NZ LYS A 13 5.947 -9.492 -0.829 1.00 0.00 N ATOM 0 H LYS A 13 1.611 -11.299 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 13 1.663 -12.033 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.968 -9.728 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.348 -9.474 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.136 -11.840 -3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.853 -10.243 -3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.331 -10.077 -0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.445 -11.824 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.266 -11.069 0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.962 -11.592 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.700 -9.362 -0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.351 -9.420 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.224 -8.755 -0.702 1.00 0.00 H new ATOM 176 N LEU A 14 -0.737 -11.315 -3.059 1.00 0.00 N ATOM 177 CA LEU A 14 -2.090 -10.784 -2.937 1.00 0.00 C ATOM 178 C LEU A 14 -2.283 -10.088 -1.594 1.00 0.00 C ATOM 179 O LEU A 14 -1.341 -9.948 -0.814 1.00 0.00 O ATOM 180 CB LEU A 14 -3.116 -11.908 -3.094 1.00 0.00 C ATOM 181 CG LEU A 14 -3.204 -12.548 -4.480 1.00 0.00 C ATOM 182 CD1 LEU A 14 -2.217 -13.699 -4.601 1.00 0.00 C ATOM 183 CD2 LEU A 14 -4.622 -13.028 -4.757 1.00 0.00 C ATOM 0 H LEU A 14 -0.631 -12.277 -2.736 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.239 -10.051 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.884 -12.689 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.099 -11.514 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.945 -11.794 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.294 -14.142 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.204 -13.327 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.444 -14.454 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.666 -13.481 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.909 -13.766 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.308 -12.182 -4.714 1.00 0.00 H new ATOM 195 N THR A 15 -3.512 -9.654 -1.329 1.00 0.00 N ATOM 196 CA THR A 15 -3.829 -8.973 -0.080 1.00 0.00 C ATOM 197 C THR A 15 -4.764 -9.814 0.782 1.00 0.00 C ATOM 198 O THR A 15 -5.579 -10.578 0.266 1.00 0.00 O ATOM 199 CB THR A 15 -4.482 -7.602 -0.338 1.00 0.00 C ATOM 200 OG1 THR A 15 -4.647 -6.898 0.898 1.00 0.00 O ATOM 201 CG2 THR A 15 -5.832 -7.764 -1.019 1.00 0.00 C ATOM 0 H THR A 15 -4.304 -9.762 -1.963 1.00 0.00 H new ATOM 0 HA THR A 15 -2.887 -8.825 0.448 1.00 0.00 H new ATOM 0 HB THR A 15 -3.828 -7.031 -0.997 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.592 -5.933 0.735 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.273 -6.782 -1.191 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.699 -8.274 -1.973 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.493 -8.352 -0.382 1.00 0.00 H new ATOM 209 N GLU A 16 -4.641 -9.667 2.097 1.00 0.00 N ATOM 210 CA GLU A 16 -5.476 -10.414 3.030 1.00 0.00 C ATOM 211 C GLU A 16 -5.785 -9.581 4.271 1.00 0.00 C ATOM 212 O GLU A 16 -5.097 -8.604 4.563 1.00 0.00 O ATOM 213 CB GLU A 16 -4.784 -11.717 3.438 1.00 0.00 C ATOM 214 CG GLU A 16 -5.751 -12.846 3.754 1.00 0.00 C ATOM 215 CD GLU A 16 -5.090 -13.988 4.500 1.00 0.00 C ATOM 216 OE1 GLU A 16 -4.450 -14.836 3.844 1.00 0.00 O ATOM 217 OE2 GLU A 16 -5.213 -14.034 5.742 1.00 0.00 O ATOM 0 H GLU A 16 -3.972 -9.038 2.540 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.414 -10.650 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.120 -12.033 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.160 -11.529 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.576 -12.457 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.179 -13.223 2.825 1.00 0.00 H new ATOM 224 N GLY A 17 -6.828 -9.975 4.996 1.00 0.00 N ATOM 225 CA GLY A 17 -7.211 -9.254 6.196 1.00 0.00 C ATOM 226 C GLY A 17 -7.148 -7.751 6.014 1.00 0.00 C ATOM 227 O GLY A 17 -6.689 -7.030 6.899 1.00 0.00 O ATOM 0 H GLY A 17 -7.414 -10.780 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.224 -9.540 6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.555 -9.545 7.016 1.00 0.00 H new ATOM 231 N VAL A 18 -7.610 -7.276 4.861 1.00 0.00 N ATOM 232 CA VAL A 18 -7.603 -5.848 4.565 1.00 0.00 C ATOM 233 C VAL A 18 -9.016 -5.333 4.311 1.00 0.00 C ATOM 234 O VAL A 18 -9.212 -4.359 3.584 1.00 0.00 O ATOM 235 CB VAL A 18 -6.726 -5.533 3.339 1.00 0.00 C ATOM 236 CG1 VAL A 18 -7.358 -6.089 2.073 1.00 0.00 C ATOM 237 CG2 VAL A 18 -6.499 -4.034 3.218 1.00 0.00 C ATOM 0 H VAL A 18 -7.994 -7.859 4.117 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.187 -5.346 5.438 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.757 -6.014 3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.724 -5.857 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.463 -7.170 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.341 -5.640 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.877 -3.829 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.458 -3.529 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.998 -3.668 4.115 1.00 0.00 H new ATOM 247 N LEU A 19 -9.998 -5.993 4.915 1.00 0.00 N ATOM 248 CA LEU A 19 -11.394 -5.602 4.755 1.00 0.00 C ATOM 249 C LEU A 19 -11.576 -4.111 5.021 1.00 0.00 C ATOM 250 O LEU A 19 -11.072 -3.581 6.010 1.00 0.00 O ATOM 251 CB LEU A 19 -12.282 -6.412 5.701 1.00 0.00 C ATOM 252 CG LEU A 19 -12.189 -7.933 5.572 1.00 0.00 C ATOM 253 CD1 LEU A 19 -12.558 -8.604 6.886 1.00 0.00 C ATOM 254 CD2 LEU A 19 -13.085 -8.429 4.447 1.00 0.00 C ATOM 0 H LEU A 19 -9.853 -6.801 5.520 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.687 -5.807 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.031 -6.138 6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.318 -6.116 5.537 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.159 -8.195 5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.486 -9.686 6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.874 -8.273 7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.578 -8.334 7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.006 -9.513 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.119 -8.155 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.773 -7.975 3.506 1.00 0.00 H new ATOM 266 N MET A 20 -12.301 -3.441 4.131 1.00 0.00 N ATOM 267 CA MET A 20 -12.552 -2.012 4.272 1.00 0.00 C ATOM 268 C MET A 20 -13.751 -1.585 3.430 1.00 0.00 C ATOM 269 O MET A 20 -14.135 -2.276 2.486 1.00 0.00 O ATOM 270 CB MET A 20 -11.314 -1.212 3.860 1.00 0.00 C ATOM 271 CG MET A 20 -10.892 -1.445 2.418 1.00 0.00 C ATOM 272 SD MET A 20 -9.327 -0.645 2.015 1.00 0.00 S ATOM 273 CE MET A 20 -8.443 -1.999 1.246 1.00 0.00 C ATOM 0 H MET A 20 -12.724 -3.865 3.305 1.00 0.00 H new ATOM 0 HA MET A 20 -12.775 -1.809 5.319 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.513 -0.150 4.005 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.486 -1.474 4.519 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.805 -2.516 2.237 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.669 -1.071 1.751 1.00 0.00 H new ATOM 0 HE1 MET A 20 -7.393 -1.960 1.536 1.00 0.00 H new ATOM 0 HE2 MET A 20 -8.874 -2.946 1.571 1.00 0.00 H new ATOM 0 HE3 MET A 20 -8.523 -1.917 0.162 1.00 0.00 H new ATOM 283 N ARG A 21 -14.336 -0.444 3.778 1.00 0.00 N ATOM 284 CA ARG A 21 -15.492 0.073 3.056 1.00 0.00 C ATOM 285 C ARG A 21 -15.085 1.208 2.120 1.00 0.00 C ATOM 286 O ARG A 21 -15.785 2.215 2.009 1.00 0.00 O ATOM 287 CB ARG A 21 -16.557 0.564 4.038 1.00 0.00 C ATOM 288 CG ARG A 21 -17.898 0.858 3.386 1.00 0.00 C ATOM 289 CD ARG A 21 -18.749 -0.397 3.273 1.00 0.00 C ATOM 290 NE ARG A 21 -19.656 -0.342 2.129 1.00 0.00 N ATOM 291 CZ ARG A 21 -20.713 -1.135 1.991 1.00 0.00 C ATOM 292 NH1 ARG A 21 -20.994 -2.039 2.919 1.00 0.00 N ATOM 293 NH2 ARG A 21 -21.491 -1.024 0.922 1.00 0.00 N ATOM 0 H ARG A 21 -14.028 0.140 4.556 1.00 0.00 H new ATOM 0 HA ARG A 21 -15.907 -0.738 2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.697 -0.188 4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.196 1.467 4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.431 1.609 3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.737 1.280 2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.100 -1.268 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -19.327 -0.527 4.188 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.468 0.342 1.397 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -20.398 -2.127 3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -21.806 -2.646 2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -21.278 -0.330 0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -22.302 -1.633 0.816 1.00 0.00 H new ATOM 307 N ASP A 22 -13.951 1.038 1.451 1.00 0.00 N ATOM 308 CA ASP A 22 -13.450 2.047 0.525 1.00 0.00 C ATOM 309 C ASP A 22 -12.240 1.527 -0.244 1.00 0.00 C ATOM 310 O ASP A 22 -11.563 0.589 0.177 1.00 0.00 O ATOM 311 CB ASP A 22 -13.081 3.324 1.280 1.00 0.00 C ATOM 312 CG ASP A 22 -14.247 4.286 1.397 1.00 0.00 C ATOM 313 OD1 ASP A 22 -14.674 4.830 0.357 1.00 0.00 O ATOM 314 OD2 ASP A 22 -14.732 4.494 2.528 1.00 0.00 O ATOM 0 H ASP A 22 -13.360 0.210 1.532 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.241 2.273 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.728 3.063 2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.255 3.819 0.769 1.00 0.00 H new ATOM 319 N PRO A 23 -11.959 2.149 -1.399 1.00 0.00 N ATOM 320 CA PRO A 23 -10.830 1.765 -2.251 1.00 0.00 C ATOM 321 C PRO A 23 -9.485 2.115 -1.623 1.00 0.00 C ATOM 322 O PRO A 23 -8.906 1.318 -0.884 1.00 0.00 O ATOM 323 CB PRO A 23 -11.054 2.583 -3.525 1.00 0.00 C ATOM 324 CG PRO A 23 -11.850 3.762 -3.085 1.00 0.00 C ATOM 325 CD PRO A 23 -12.724 3.275 -1.962 1.00 0.00 C ATOM 0 HA PRO A 23 -10.794 0.689 -2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.107 2.889 -3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.588 2.004 -4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.199 4.570 -2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.451 4.155 -3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.897 4.055 -1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.702 2.956 -2.323 1.00 0.00 H new ATOM 333 N LYS A 24 -8.992 3.313 -1.920 1.00 0.00 N ATOM 334 CA LYS A 24 -7.716 3.771 -1.384 1.00 0.00 C ATOM 335 C LYS A 24 -7.755 5.266 -1.087 1.00 0.00 C ATOM 336 O LYS A 24 -7.879 6.087 -1.997 1.00 0.00 O ATOM 337 CB LYS A 24 -6.586 3.464 -2.369 1.00 0.00 C ATOM 338 CG LYS A 24 -5.815 2.199 -2.036 1.00 0.00 C ATOM 339 CD LYS A 24 -4.765 2.451 -0.967 1.00 0.00 C ATOM 340 CE LYS A 24 -3.668 3.376 -1.470 1.00 0.00 C ATOM 341 NZ LYS A 24 -2.516 3.434 -0.528 1.00 0.00 N ATOM 0 H LYS A 24 -9.458 3.985 -2.530 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.530 3.239 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.004 3.371 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.894 4.306 -2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.507 1.430 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.334 1.817 -2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.237 2.889 -0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.328 1.503 -0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.323 3.033 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.074 4.378 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.790 4.075 -0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.840 3.785 0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.112 2.482 -0.414 1.00 0.00 H new ATOM 355 N PHE A 25 -7.647 5.615 0.191 1.00 0.00 N ATOM 356 CA PHE A 25 -7.670 7.012 0.606 1.00 0.00 C ATOM 357 C PHE A 25 -6.300 7.657 0.421 1.00 0.00 C ATOM 358 O PHE A 25 -5.310 7.221 1.011 1.00 0.00 O ATOM 359 CB PHE A 25 -8.105 7.124 2.069 1.00 0.00 C ATOM 360 CG PHE A 25 -8.915 8.355 2.361 1.00 0.00 C ATOM 361 CD1 PHE A 25 -10.094 8.603 1.675 1.00 0.00 C ATOM 362 CD2 PHE A 25 -8.499 9.263 3.320 1.00 0.00 C ATOM 363 CE1 PHE A 25 -10.842 9.734 1.942 1.00 0.00 C ATOM 364 CE2 PHE A 25 -9.243 10.396 3.591 1.00 0.00 C ATOM 365 CZ PHE A 25 -10.416 10.632 2.900 1.00 0.00 C ATOM 0 H PHE A 25 -7.543 4.949 0.957 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.388 7.540 -0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.689 6.243 2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.219 7.122 2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.432 7.905 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.583 9.084 3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.759 9.915 1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.908 11.096 4.342 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.998 11.517 3.109 1.00 0.00 H new ATOM 375 N LEU A 26 -6.249 8.698 -0.403 1.00 0.00 N ATOM 376 CA LEU A 26 -5.000 9.404 -0.668 1.00 0.00 C ATOM 377 C LEU A 26 -5.207 10.915 -0.614 1.00 0.00 C ATOM 378 O LEU A 26 -5.998 11.470 -1.376 1.00 0.00 O ATOM 379 CB LEU A 26 -4.445 9.003 -2.036 1.00 0.00 C ATOM 380 CG LEU A 26 -3.667 10.083 -2.788 1.00 0.00 C ATOM 381 CD1 LEU A 26 -2.420 10.481 -2.014 1.00 0.00 C ATOM 382 CD2 LEU A 26 -3.300 9.602 -4.184 1.00 0.00 C ATOM 0 H LEU A 26 -7.058 9.072 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.283 9.126 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.792 8.140 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.276 8.680 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.305 10.962 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.880 11.251 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.707 10.869 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.778 9.609 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.747 10.384 -4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.681 8.708 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.209 9.370 -4.739 1.00 0.00 H new ATOM 394 N TRP A 27 -4.489 11.572 0.289 1.00 0.00 N ATOM 395 CA TRP A 27 -4.592 13.019 0.441 1.00 0.00 C ATOM 396 C TRP A 27 -3.250 13.621 0.844 1.00 0.00 C ATOM 397 O TRP A 27 -2.324 12.902 1.219 1.00 0.00 O ATOM 398 CB TRP A 27 -5.655 13.369 1.484 1.00 0.00 C ATOM 399 CG TRP A 27 -5.328 12.866 2.857 1.00 0.00 C ATOM 400 CD1 TRP A 27 -4.243 12.120 3.220 1.00 0.00 C ATOM 401 CD2 TRP A 27 -6.094 13.071 4.049 1.00 0.00 C ATOM 402 NE1 TRP A 27 -4.288 11.850 4.567 1.00 0.00 N ATOM 403 CE2 TRP A 27 -5.413 12.423 5.098 1.00 0.00 C ATOM 404 CE3 TRP A 27 -7.287 13.741 4.334 1.00 0.00 C ATOM 405 CZ2 TRP A 27 -5.888 12.425 6.407 1.00 0.00 C ATOM 406 CZ3 TRP A 27 -7.757 13.743 5.633 1.00 0.00 C ATOM 407 CH2 TRP A 27 -7.058 13.089 6.657 1.00 0.00 C ATOM 0 H TRP A 27 -3.829 11.127 0.927 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.884 13.440 -0.521 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.775 14.452 1.521 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.612 12.952 1.171 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -3.464 11.791 2.548 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.596 11.310 5.087 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.832 14.249 3.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -5.352 11.920 7.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.678 14.257 5.863 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -7.451 13.110 7.663 1.00 0.00 H new ATOM 418 N CYS A 28 -3.152 14.944 0.763 1.00 0.00 N ATOM 419 CA CYS A 28 -1.923 15.643 1.119 1.00 0.00 C ATOM 420 C CYS A 28 -1.702 15.620 2.629 1.00 0.00 C ATOM 421 O CYS A 28 -2.649 15.485 3.403 1.00 0.00 O ATOM 422 CB CYS A 28 -1.972 17.089 0.621 1.00 0.00 C ATOM 423 SG CYS A 28 -2.023 17.250 -1.193 1.00 0.00 S ATOM 0 H CYS A 28 -3.909 15.553 0.454 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.090 15.129 0.640 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.850 17.578 1.043 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.099 17.621 0.998 1.00 0.00 H new ATOM 428 N ALA A 29 -0.445 15.754 3.039 1.00 0.00 N ATOM 429 CA ALA A 29 -0.100 15.751 4.455 1.00 0.00 C ATOM 430 C ALA A 29 -0.407 17.099 5.098 1.00 0.00 C ATOM 431 O ALA A 29 -0.192 17.290 6.294 1.00 0.00 O ATOM 432 CB ALA A 29 1.369 15.400 4.639 1.00 0.00 C ATOM 0 H ALA A 29 0.351 15.866 2.411 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.709 14.994 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.613 15.401 5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.562 14.411 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.986 16.136 4.124 1.00 0.00 H new ATOM 438 N GLN A 30 -0.912 18.031 4.295 1.00 0.00 N ATOM 439 CA GLN A 30 -1.247 19.362 4.787 1.00 0.00 C ATOM 440 C GLN A 30 -2.718 19.679 4.538 1.00 0.00 C ATOM 441 O GLN A 30 -3.506 19.798 5.477 1.00 0.00 O ATOM 442 CB GLN A 30 -0.365 20.415 4.114 1.00 0.00 C ATOM 443 CG GLN A 30 1.100 20.323 4.508 1.00 0.00 C ATOM 444 CD GLN A 30 1.972 21.299 3.743 1.00 0.00 C ATOM 445 OE1 GLN A 30 2.431 21.007 2.639 1.00 0.00 O ATOM 446 NE2 GLN A 30 2.206 22.468 4.328 1.00 0.00 N ATOM 0 H GLN A 30 -1.098 17.889 3.302 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.066 19.381 5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.449 20.310 3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.739 21.407 4.368 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.198 20.515 5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.457 19.308 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.806 22.669 5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.786 23.165 3.861 1.00 0.00 H new ATOM 455 N CYS A 31 -3.082 19.816 3.268 1.00 0.00 N ATOM 456 CA CYS A 31 -4.458 20.120 2.894 1.00 0.00 C ATOM 457 C CYS A 31 -5.391 18.973 3.271 1.00 0.00 C ATOM 458 O CYS A 31 -6.594 19.168 3.444 1.00 0.00 O ATOM 459 CB CYS A 31 -4.552 20.397 1.393 1.00 0.00 C ATOM 460 SG CYS A 31 -4.951 18.929 0.390 1.00 0.00 S ATOM 0 H CYS A 31 -2.442 19.721 2.479 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.768 21.011 3.440 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.313 21.159 1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.604 20.811 1.051 1.00 0.00 H new ATOM 465 N SER A 32 -4.826 17.776 3.396 1.00 0.00 N ATOM 466 CA SER A 32 -5.607 16.595 3.748 1.00 0.00 C ATOM 467 C SER A 32 -6.921 16.562 2.974 1.00 0.00 C ATOM 468 O SER A 32 -7.998 16.458 3.561 1.00 0.00 O ATOM 469 CB SER A 32 -5.887 16.573 5.252 1.00 0.00 C ATOM 470 OG SER A 32 -6.985 17.407 5.578 1.00 0.00 O ATOM 0 H SER A 32 -3.831 17.598 3.259 1.00 0.00 H new ATOM 0 HA SER A 32 -5.026 15.712 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.094 15.552 5.572 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.001 16.903 5.795 1.00 0.00 H new ATOM 0 HG SER A 32 -7.794 17.070 5.138 1.00 0.00 H new ATOM 476 N PHE A 33 -6.824 16.653 1.652 1.00 0.00 N ATOM 477 CA PHE A 33 -8.005 16.635 0.796 1.00 0.00 C ATOM 478 C PHE A 33 -8.404 15.203 0.451 1.00 0.00 C ATOM 479 O PHE A 33 -8.214 14.747 -0.676 1.00 0.00 O ATOM 480 CB PHE A 33 -7.742 17.426 -0.488 1.00 0.00 C ATOM 481 CG PHE A 33 -8.926 17.480 -1.411 1.00 0.00 C ATOM 482 CD1 PHE A 33 -10.216 17.482 -0.905 1.00 0.00 C ATOM 483 CD2 PHE A 33 -8.749 17.530 -2.784 1.00 0.00 C ATOM 484 CE1 PHE A 33 -11.307 17.532 -1.752 1.00 0.00 C ATOM 485 CE2 PHE A 33 -9.836 17.580 -3.636 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.117 17.582 -3.119 1.00 0.00 C ATOM 0 H PHE A 33 -5.940 16.740 1.150 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.826 17.102 1.341 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -7.449 18.443 -0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.900 16.978 -1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.371 17.444 0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.750 17.530 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.307 17.532 -1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.684 17.617 -4.705 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.968 17.623 -3.782 1.00 0.00 H new ATOM 496 N GLY A 34 -8.961 14.498 1.432 1.00 0.00 N ATOM 497 CA GLY A 34 -9.378 13.125 1.213 1.00 0.00 C ATOM 498 C GLY A 34 -9.923 12.900 -0.183 1.00 0.00 C ATOM 499 O GLY A 34 -11.077 13.221 -0.466 1.00 0.00 O ATOM 0 H GLY A 34 -9.131 14.853 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.531 12.460 1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.141 12.859 1.945 1.00 0.00 H new ATOM 503 N PHE A 35 -9.090 12.347 -1.059 1.00 0.00 N ATOM 504 CA PHE A 35 -9.494 12.082 -2.435 1.00 0.00 C ATOM 505 C PHE A 35 -8.944 10.742 -2.914 1.00 0.00 C ATOM 506 O PHE A 35 -7.765 10.440 -2.728 1.00 0.00 O ATOM 507 CB PHE A 35 -9.011 13.203 -3.356 1.00 0.00 C ATOM 508 CG PHE A 35 -7.552 13.109 -3.700 1.00 0.00 C ATOM 509 CD1 PHE A 35 -7.090 12.124 -4.558 1.00 0.00 C ATOM 510 CD2 PHE A 35 -6.641 14.007 -3.166 1.00 0.00 C ATOM 511 CE1 PHE A 35 -5.748 12.035 -4.875 1.00 0.00 C ATOM 512 CE2 PHE A 35 -5.298 13.923 -3.480 1.00 0.00 C ATOM 513 CZ PHE A 35 -4.851 12.936 -4.337 1.00 0.00 C ATOM 0 H PHE A 35 -8.132 12.074 -0.841 1.00 0.00 H new ATOM 0 HA PHE A 35 -10.583 12.040 -2.466 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.595 13.184 -4.276 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -9.202 14.163 -2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.787 11.417 -4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.985 14.782 -2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.401 11.261 -5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.599 14.628 -3.056 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.802 12.869 -4.586 1.00 0.00 H new ATOM 523 N ILE A 36 -9.807 9.942 -3.532 1.00 0.00 N ATOM 524 CA ILE A 36 -9.408 8.634 -4.039 1.00 0.00 C ATOM 525 C ILE A 36 -8.654 8.763 -5.358 1.00 0.00 C ATOM 526 O ILE A 36 -8.926 9.661 -6.155 1.00 0.00 O ATOM 527 CB ILE A 36 -10.626 7.714 -4.244 1.00 0.00 C ATOM 528 CG1 ILE A 36 -11.485 7.680 -2.978 1.00 0.00 C ATOM 529 CG2 ILE A 36 -10.173 6.312 -4.621 1.00 0.00 C ATOM 530 CD1 ILE A 36 -10.813 6.993 -1.810 1.00 0.00 C ATOM 0 H ILE A 36 -10.786 10.176 -3.694 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.752 8.192 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.230 8.111 -5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.737 8.701 -2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.423 7.170 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.045 5.674 -4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.598 6.352 -5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.550 5.904 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.479 7.006 -0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.585 5.961 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.889 7.516 -1.563 1.00 0.00 H new ATOM 542 N TYR A 37 -7.707 7.858 -5.582 1.00 0.00 N ATOM 543 CA TYR A 37 -6.913 7.870 -6.805 1.00 0.00 C ATOM 544 C TYR A 37 -6.928 6.501 -7.478 1.00 0.00 C ATOM 545 O TYR A 37 -6.900 6.401 -8.704 1.00 0.00 O ATOM 546 CB TYR A 37 -5.473 8.285 -6.499 1.00 0.00 C ATOM 547 CG TYR A 37 -4.597 7.139 -6.045 1.00 0.00 C ATOM 548 CD1 TYR A 37 -4.905 6.414 -4.900 1.00 0.00 C ATOM 549 CD2 TYR A 37 -3.461 6.781 -6.760 1.00 0.00 C ATOM 550 CE1 TYR A 37 -4.108 5.367 -4.481 1.00 0.00 C ATOM 551 CE2 TYR A 37 -2.658 5.734 -6.350 1.00 0.00 C ATOM 552 CZ TYR A 37 -2.986 5.030 -5.210 1.00 0.00 C ATOM 553 OH TYR A 37 -2.188 3.988 -4.797 1.00 0.00 O ATOM 0 H TYR A 37 -7.471 7.107 -4.933 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.355 8.595 -7.488 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.036 8.735 -7.391 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.481 9.053 -5.726 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.783 6.674 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.201 7.331 -7.652 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.361 4.815 -3.588 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.779 5.468 -6.919 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.440 3.881 -5.421 1.00 0.00 H new ATOM 563 N GLU A 38 -6.974 5.450 -6.665 1.00 0.00 N ATOM 564 CA GLU A 38 -6.993 4.087 -7.182 1.00 0.00 C ATOM 565 C GLU A 38 -6.082 3.953 -8.398 1.00 0.00 C ATOM 566 O GLU A 38 -6.459 3.357 -9.407 1.00 0.00 O ATOM 567 CB GLU A 38 -8.420 3.678 -7.552 1.00 0.00 C ATOM 568 CG GLU A 38 -9.288 3.341 -6.352 1.00 0.00 C ATOM 569 CD GLU A 38 -10.766 3.318 -6.688 1.00 0.00 C ATOM 570 OE1 GLU A 38 -11.340 4.406 -6.909 1.00 0.00 O ATOM 571 OE2 GLU A 38 -11.349 2.215 -6.731 1.00 0.00 O ATOM 0 H GLU A 38 -6.999 5.516 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.624 3.424 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.887 4.488 -8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.381 2.814 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.994 2.368 -5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.110 4.072 -5.563 1.00 0.00 H new ATOM 578 N ARG A 39 -4.880 4.512 -8.295 1.00 0.00 N ATOM 579 CA ARG A 39 -3.916 4.457 -9.386 1.00 0.00 C ATOM 580 C ARG A 39 -2.791 3.476 -9.069 1.00 0.00 C ATOM 581 O ARG A 39 -2.516 3.189 -7.905 1.00 0.00 O ATOM 582 CB ARG A 39 -3.334 5.847 -9.652 1.00 0.00 C ATOM 583 CG ARG A 39 -2.843 6.039 -11.077 1.00 0.00 C ATOM 584 CD ARG A 39 -3.992 6.330 -12.029 1.00 0.00 C ATOM 585 NE ARG A 39 -3.587 6.218 -13.428 1.00 0.00 N ATOM 586 CZ ARG A 39 -3.505 5.063 -14.079 1.00 0.00 C ATOM 587 NH1 ARG A 39 -3.800 3.927 -13.462 1.00 0.00 N ATOM 588 NH2 ARG A 39 -3.128 5.043 -15.351 1.00 0.00 N ATOM 0 H ARG A 39 -4.551 5.008 -7.467 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.436 4.111 -10.279 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.094 6.598 -9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.506 6.023 -8.965 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.127 6.860 -11.108 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.316 5.143 -11.405 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.810 5.637 -11.832 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.373 7.334 -11.841 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.354 7.073 -13.933 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.091 3.938 -12.484 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.736 3.042 -13.965 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.901 5.915 -15.829 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.065 4.156 -15.850 1.00 0.00 H new ATOM 602 N GLU A 40 -2.145 2.966 -10.113 1.00 0.00 N ATOM 603 CA GLU A 40 -1.051 2.017 -9.944 1.00 0.00 C ATOM 604 C GLU A 40 0.280 2.744 -9.777 1.00 0.00 C ATOM 605 O GLU A 40 1.081 2.400 -8.908 1.00 0.00 O ATOM 606 CB GLU A 40 -0.980 1.069 -11.144 1.00 0.00 C ATOM 607 CG GLU A 40 -0.728 1.777 -12.465 1.00 0.00 C ATOM 608 CD GLU A 40 -1.183 0.962 -13.659 1.00 0.00 C ATOM 609 OE1 GLU A 40 -2.357 0.537 -13.674 1.00 0.00 O ATOM 610 OE2 GLU A 40 -0.365 0.748 -14.579 1.00 0.00 O ATOM 0 H GLU A 40 -2.360 3.194 -11.084 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.243 1.437 -9.042 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.187 0.341 -10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.915 0.512 -11.212 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.248 2.735 -12.464 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.336 1.992 -12.561 1.00 0.00 H new ATOM 617 N GLN A 41 0.508 3.750 -10.615 1.00 0.00 N ATOM 618 CA GLN A 41 1.742 4.524 -10.561 1.00 0.00 C ATOM 619 C GLN A 41 1.898 5.205 -9.205 1.00 0.00 C ATOM 620 O GLN A 41 0.915 5.619 -8.590 1.00 0.00 O ATOM 621 CB GLN A 41 1.761 5.572 -11.676 1.00 0.00 C ATOM 622 CG GLN A 41 0.564 6.509 -11.650 1.00 0.00 C ATOM 623 CD GLN A 41 0.563 7.486 -12.810 1.00 0.00 C ATOM 624 OE1 GLN A 41 0.659 7.088 -13.971 1.00 0.00 O ATOM 625 NE2 GLN A 41 0.454 8.772 -12.501 1.00 0.00 N ATOM 0 H GLN A 41 -0.146 4.048 -11.339 1.00 0.00 H new ATOM 0 HA GLN A 41 2.578 3.839 -10.702 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.675 6.161 -11.594 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.794 5.064 -12.640 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.354 5.921 -11.674 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.562 7.064 -10.712 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.377 9.057 -11.525 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.447 9.475 -13.240 1.00 0.00 H new ATOM 634 N LEU A 42 3.139 5.317 -8.744 1.00 0.00 N ATOM 635 CA LEU A 42 3.424 5.947 -7.460 1.00 0.00 C ATOM 636 C LEU A 42 3.541 7.461 -7.610 1.00 0.00 C ATOM 637 O LEU A 42 4.227 8.120 -6.830 1.00 0.00 O ATOM 638 CB LEU A 42 4.716 5.381 -6.868 1.00 0.00 C ATOM 639 CG LEU A 42 4.561 4.152 -5.970 1.00 0.00 C ATOM 640 CD1 LEU A 42 5.816 3.295 -6.018 1.00 0.00 C ATOM 641 CD2 LEU A 42 4.253 4.572 -4.540 1.00 0.00 C ATOM 0 H LEU A 42 3.964 4.980 -9.240 1.00 0.00 H new ATOM 0 HA LEU A 42 2.596 5.730 -6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.386 5.125 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.203 6.168 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 42 3.726 3.557 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.688 2.425 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.992 2.965 -7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.669 3.879 -5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.146 3.685 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.067 5.188 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.325 5.144 -4.521 1.00 0.00 H new ATOM 653 N GLU A 43 2.864 8.004 -8.617 1.00 0.00 N ATOM 654 CA GLU A 43 2.891 9.440 -8.868 1.00 0.00 C ATOM 655 C GLU A 43 1.487 10.033 -8.788 1.00 0.00 C ATOM 656 O GLU A 43 0.727 9.986 -9.755 1.00 0.00 O ATOM 657 CB GLU A 43 3.502 9.729 -10.240 1.00 0.00 C ATOM 658 CG GLU A 43 3.839 11.195 -10.461 1.00 0.00 C ATOM 659 CD GLU A 43 4.464 11.452 -11.818 1.00 0.00 C ATOM 660 OE1 GLU A 43 5.011 10.497 -12.409 1.00 0.00 O ATOM 661 OE2 GLU A 43 4.406 12.607 -12.289 1.00 0.00 O ATOM 0 H GLU A 43 2.291 7.472 -9.272 1.00 0.00 H new ATOM 0 HA GLU A 43 3.507 9.906 -8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.408 9.135 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.806 9.404 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.932 11.791 -10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.524 11.528 -9.681 1.00 0.00 H new ATOM 668 N ALA A 44 1.151 10.591 -7.630 1.00 0.00 N ATOM 669 CA ALA A 44 -0.160 11.194 -7.424 1.00 0.00 C ATOM 670 C ALA A 44 -0.061 12.715 -7.367 1.00 0.00 C ATOM 671 O ALA A 44 0.882 13.266 -6.799 1.00 0.00 O ATOM 672 CB ALA A 44 -0.794 10.656 -6.149 1.00 0.00 C ATOM 0 H ALA A 44 1.769 10.638 -6.820 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.792 10.928 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.773 11.115 -6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.908 9.575 -6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.156 10.893 -5.298 1.00 0.00 H new ATOM 678 N THR A 45 -1.041 13.389 -7.962 1.00 0.00 N ATOM 679 CA THR A 45 -1.064 14.846 -7.981 1.00 0.00 C ATOM 680 C THR A 45 -2.373 15.383 -7.415 1.00 0.00 C ATOM 681 O THR A 45 -3.451 14.874 -7.726 1.00 0.00 O ATOM 682 CB THR A 45 -0.871 15.392 -9.408 1.00 0.00 C ATOM 683 OG1 THR A 45 0.391 14.963 -9.931 1.00 0.00 O ATOM 684 CG2 THR A 45 -0.941 16.912 -9.420 1.00 0.00 C ATOM 0 H THR A 45 -1.829 12.949 -8.437 1.00 0.00 H new ATOM 0 HA THR A 45 -0.237 15.183 -7.356 1.00 0.00 H new ATOM 0 HB THR A 45 -1.674 15.002 -10.034 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.505 15.313 -10.839 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.802 17.275 -10.438 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.914 17.234 -9.050 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.157 17.317 -8.780 1.00 0.00 H new ATOM 692 N CYS A 46 -2.275 16.415 -6.584 1.00 0.00 N ATOM 693 CA CYS A 46 -3.452 17.022 -5.974 1.00 0.00 C ATOM 694 C CYS A 46 -4.210 17.875 -6.987 1.00 0.00 C ATOM 695 O CYS A 46 -3.624 18.633 -7.760 1.00 0.00 O ATOM 696 CB CYS A 46 -3.046 17.877 -4.773 1.00 0.00 C ATOM 697 SG CYS A 46 -4.266 17.886 -3.420 1.00 0.00 S ATOM 0 H CYS A 46 -1.391 16.849 -6.317 1.00 0.00 H new ATOM 0 HA CYS A 46 -4.109 16.221 -5.635 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.094 17.513 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.884 18.901 -5.108 1.00 0.00 H new ATOM 702 N PRO A 47 -5.545 17.749 -6.985 1.00 0.00 N ATOM 703 CA PRO A 47 -6.413 18.501 -7.897 1.00 0.00 C ATOM 704 C PRO A 47 -6.454 19.988 -7.563 1.00 0.00 C ATOM 705 O PRO A 47 -6.886 20.804 -8.377 1.00 0.00 O ATOM 706 CB PRO A 47 -7.789 17.866 -7.681 1.00 0.00 C ATOM 707 CG PRO A 47 -7.734 17.302 -6.304 1.00 0.00 C ATOM 708 CD PRO A 47 -6.311 16.864 -6.092 1.00 0.00 C ATOM 0 HA PRO A 47 -6.062 18.451 -8.928 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.585 18.605 -7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.987 17.089 -8.419 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.027 18.048 -5.565 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.421 16.462 -6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.005 16.980 -5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.171 15.814 -6.350 1.00 0.00 H new ATOM 716 N GLN A 48 -6.001 20.334 -6.362 1.00 0.00 N ATOM 717 CA GLN A 48 -5.987 21.724 -5.922 1.00 0.00 C ATOM 718 C GLN A 48 -4.558 22.220 -5.733 1.00 0.00 C ATOM 719 O GLN A 48 -4.239 23.364 -6.059 1.00 0.00 O ATOM 720 CB GLN A 48 -6.769 21.875 -4.616 1.00 0.00 C ATOM 721 CG GLN A 48 -6.249 20.995 -3.490 1.00 0.00 C ATOM 722 CD GLN A 48 -6.622 21.522 -2.119 1.00 0.00 C ATOM 723 OE1 GLN A 48 -6.812 22.724 -1.933 1.00 0.00 O ATOM 724 NE2 GLN A 48 -6.729 20.622 -1.148 1.00 0.00 N ATOM 0 H GLN A 48 -5.639 19.671 -5.677 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.463 22.329 -6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.732 22.917 -4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.816 21.635 -4.799 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.647 19.987 -3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.164 20.920 -3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.563 19.635 -1.347 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.977 20.917 -0.204 1.00 0.00 H new ATOM 733 N CYS A 49 -3.700 21.354 -5.205 1.00 0.00 N ATOM 734 CA CYS A 49 -2.305 21.704 -4.971 1.00 0.00 C ATOM 735 C CYS A 49 -1.450 21.378 -6.193 1.00 0.00 C ATOM 736 O CYS A 49 -0.359 21.921 -6.364 1.00 0.00 O ATOM 737 CB CYS A 49 -1.768 20.959 -3.747 1.00 0.00 C ATOM 738 SG CYS A 49 -2.878 21.006 -2.303 1.00 0.00 S ATOM 0 H CYS A 49 -3.947 20.403 -4.931 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.252 22.777 -4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.586 19.919 -4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.806 21.388 -3.467 1.00 0.00 H new ATOM 743 N HIS A 50 -1.955 20.487 -7.041 1.00 0.00 N ATOM 744 CA HIS A 50 -1.240 20.089 -8.248 1.00 0.00 C ATOM 745 C HIS A 50 0.212 19.743 -7.929 1.00 0.00 C ATOM 746 O HIS A 50 1.105 19.963 -8.747 1.00 0.00 O ATOM 747 CB HIS A 50 -1.293 21.207 -9.290 1.00 0.00 C ATOM 748 CG HIS A 50 -2.671 21.474 -9.811 1.00 0.00 C ATOM 749 ND1 HIS A 50 -2.913 21.991 -11.066 1.00 0.00 N ATOM 750 CD2 HIS A 50 -3.884 21.292 -9.240 1.00 0.00 C ATOM 751 CE1 HIS A 50 -4.216 22.117 -11.244 1.00 0.00 C ATOM 752 NE2 HIS A 50 -4.828 21.699 -10.151 1.00 0.00 N ATOM 0 H HIS A 50 -2.857 20.027 -6.914 1.00 0.00 H new ATOM 0 HA HIS A 50 -1.727 19.202 -8.653 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.896 22.122 -8.850 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.642 20.946 -10.124 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.075 20.900 -8.252 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.699 22.497 -12.132 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -5.838 21.681 -10.007 1.00 0.00 H new ATOM 760 N GLN A 51 0.438 19.201 -6.737 1.00 0.00 N ATOM 761 CA GLN A 51 1.781 18.826 -6.311 1.00 0.00 C ATOM 762 C GLN A 51 1.972 17.314 -6.380 1.00 0.00 C ATOM 763 O GLN A 51 1.175 16.551 -5.833 1.00 0.00 O ATOM 764 CB GLN A 51 2.044 19.321 -4.888 1.00 0.00 C ATOM 765 CG GLN A 51 3.454 19.035 -4.395 1.00 0.00 C ATOM 766 CD GLN A 51 4.463 20.053 -4.891 1.00 0.00 C ATOM 767 OE1 GLN A 51 4.119 20.975 -5.632 1.00 0.00 O ATOM 768 NE2 GLN A 51 5.716 19.891 -4.484 1.00 0.00 N ATOM 0 H GLN A 51 -0.291 19.012 -6.049 1.00 0.00 H new ATOM 0 HA GLN A 51 2.494 19.295 -6.989 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.865 20.395 -4.847 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.329 18.852 -4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.459 19.025 -3.305 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.755 18.040 -4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.956 19.113 -3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.439 20.545 -4.785 1.00 0.00 H new ATOM 777 N THR A 52 3.034 16.887 -7.056 1.00 0.00 N ATOM 778 CA THR A 52 3.329 15.467 -7.198 1.00 0.00 C ATOM 779 C THR A 52 3.980 14.912 -5.936 1.00 0.00 C ATOM 780 O THR A 52 5.123 15.241 -5.619 1.00 0.00 O ATOM 781 CB THR A 52 4.256 15.203 -8.399 1.00 0.00 C ATOM 782 OG1 THR A 52 3.742 15.852 -9.567 1.00 0.00 O ATOM 783 CG2 THR A 52 4.392 13.710 -8.661 1.00 0.00 C ATOM 0 H THR A 52 3.704 17.505 -7.514 1.00 0.00 H new ATOM 0 HA THR A 52 2.378 14.962 -7.365 1.00 0.00 H new ATOM 0 HB THR A 52 5.241 15.606 -8.164 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.338 15.681 -10.326 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.051 13.549 -9.514 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.811 13.223 -7.781 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.411 13.288 -8.876 1.00 0.00 H new ATOM 791 N PHE A 53 3.246 14.067 -5.220 1.00 0.00 N ATOM 792 CA PHE A 53 3.752 13.466 -3.992 1.00 0.00 C ATOM 793 C PHE A 53 3.444 11.972 -3.950 1.00 0.00 C ATOM 794 O PHE A 53 2.459 11.513 -4.528 1.00 0.00 O ATOM 795 CB PHE A 53 3.143 14.158 -2.771 1.00 0.00 C ATOM 796 CG PHE A 53 1.685 13.852 -2.573 1.00 0.00 C ATOM 797 CD1 PHE A 53 0.718 14.518 -3.309 1.00 0.00 C ATOM 798 CD2 PHE A 53 1.283 12.897 -1.653 1.00 0.00 C ATOM 799 CE1 PHE A 53 -0.623 14.238 -3.129 1.00 0.00 C ATOM 800 CE2 PHE A 53 -0.057 12.613 -1.469 1.00 0.00 C ATOM 801 CZ PHE A 53 -1.011 13.284 -2.209 1.00 0.00 C ATOM 0 H PHE A 53 2.299 13.783 -5.469 1.00 0.00 H new ATOM 0 HA PHE A 53 4.834 13.597 -3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.694 13.856 -1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.269 15.236 -2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.016 15.264 -4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.025 12.369 -1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.367 14.765 -3.707 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.358 11.868 -0.748 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.059 13.063 -2.068 1.00 0.00 H new ATOM 811 N CYS A 54 4.295 11.218 -3.262 1.00 0.00 N ATOM 812 CA CYS A 54 4.116 9.776 -3.144 1.00 0.00 C ATOM 813 C CYS A 54 2.802 9.446 -2.443 1.00 0.00 C ATOM 814 O CYS A 54 2.298 10.234 -1.642 1.00 0.00 O ATOM 815 CB CYS A 54 5.286 9.157 -2.377 1.00 0.00 C ATOM 816 SG CYS A 54 5.376 7.341 -2.495 1.00 0.00 S ATOM 0 H CYS A 54 5.116 11.582 -2.778 1.00 0.00 H new ATOM 0 HA CYS A 54 4.086 9.355 -4.149 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.217 9.581 -2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.208 9.439 -1.327 1.00 0.00 H new ATOM 821 N VAL A 55 2.252 8.275 -2.749 1.00 0.00 N ATOM 822 CA VAL A 55 0.997 7.840 -2.148 1.00 0.00 C ATOM 823 C VAL A 55 1.248 6.999 -0.901 1.00 0.00 C ATOM 824 O VAL A 55 0.325 6.707 -0.140 1.00 0.00 O ATOM 825 CB VAL A 55 0.151 7.023 -3.143 1.00 0.00 C ATOM 826 CG1 VAL A 55 -0.303 7.898 -4.301 1.00 0.00 C ATOM 827 CG2 VAL A 55 0.936 5.821 -3.647 1.00 0.00 C ATOM 0 H VAL A 55 2.656 7.611 -3.409 1.00 0.00 H new ATOM 0 HA VAL A 55 0.449 8.741 -1.872 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.736 6.658 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.899 7.304 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.905 8.723 -3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.569 8.295 -4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.324 5.255 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.842 6.162 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.206 5.184 -2.805 1.00 0.00 H new ATOM 837 N ARG A 56 2.503 6.612 -0.698 1.00 0.00 N ATOM 838 CA ARG A 56 2.876 5.804 0.457 1.00 0.00 C ATOM 839 C ARG A 56 3.453 6.676 1.568 1.00 0.00 C ATOM 840 O ARG A 56 2.821 6.878 2.605 1.00 0.00 O ATOM 841 CB ARG A 56 3.894 4.736 0.051 1.00 0.00 C ATOM 842 CG ARG A 56 3.286 3.579 -0.724 1.00 0.00 C ATOM 843 CD ARG A 56 4.353 2.601 -1.192 1.00 0.00 C ATOM 844 NE ARG A 56 3.784 1.312 -1.574 1.00 0.00 N ATOM 845 CZ ARG A 56 4.402 0.440 -2.364 1.00 0.00 C ATOM 846 NH1 ARG A 56 5.603 0.718 -2.851 1.00 0.00 N ATOM 847 NH2 ARG A 56 3.819 -0.713 -2.666 1.00 0.00 N ATOM 0 H ARG A 56 3.279 6.845 -1.318 1.00 0.00 H new ATOM 0 HA ARG A 56 1.977 5.316 0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.672 5.200 -0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.378 4.348 0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.564 3.058 -0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.740 3.963 -1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.888 3.027 -2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.083 2.453 -0.397 1.00 0.00 H new ATOM 0 HE ARG A 56 2.861 1.067 -1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.055 1.603 -2.620 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.075 0.047 -3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.895 -0.931 -2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.294 -1.381 -3.272 1.00 0.00 H new ATOM 861 N CYS A 57 4.658 7.190 1.344 1.00 0.00 N ATOM 862 CA CYS A 57 5.322 8.040 2.325 1.00 0.00 C ATOM 863 C CYS A 57 4.666 9.416 2.385 1.00 0.00 C ATOM 864 O CYS A 57 4.807 10.141 3.370 1.00 0.00 O ATOM 865 CB CYS A 57 6.806 8.184 1.985 1.00 0.00 C ATOM 866 SG CYS A 57 7.129 8.683 0.263 1.00 0.00 S ATOM 0 H CYS A 57 5.195 7.032 0.491 1.00 0.00 H new ATOM 0 HA CYS A 57 5.225 7.568 3.303 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.252 8.919 2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.306 7.234 2.177 1.00 0.00 H new ATOM 871 N LYS A 58 3.948 9.770 1.325 1.00 0.00 N ATOM 872 CA LYS A 58 3.268 11.058 1.255 1.00 0.00 C ATOM 873 C LYS A 58 4.272 12.206 1.300 1.00 0.00 C ATOM 874 O LYS A 58 4.045 13.215 1.968 1.00 0.00 O ATOM 875 CB LYS A 58 2.270 11.194 2.407 1.00 0.00 C ATOM 876 CG LYS A 58 0.856 10.779 2.039 1.00 0.00 C ATOM 877 CD LYS A 58 0.780 9.301 1.695 1.00 0.00 C ATOM 878 CE LYS A 58 -0.594 8.727 2.006 1.00 0.00 C ATOM 879 NZ LYS A 58 -0.795 8.530 3.469 1.00 0.00 N ATOM 0 H LYS A 58 3.822 9.182 0.501 1.00 0.00 H new ATOM 0 HA LYS A 58 2.730 11.106 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.611 10.587 3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.259 12.230 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.185 10.995 2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.512 11.369 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.004 9.160 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.539 8.756 2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.363 9.397 1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.714 7.774 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.638 7.942 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.038 8.057 3.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.926 9.454 3.929 1.00 0.00 H new ATOM 893 N ARG A 59 5.380 12.045 0.584 1.00 0.00 N ATOM 894 CA ARG A 59 6.417 13.069 0.542 1.00 0.00 C ATOM 895 C ARG A 59 6.621 13.578 -0.882 1.00 0.00 C ATOM 896 O ARG A 59 6.069 13.027 -1.833 1.00 0.00 O ATOM 897 CB ARG A 59 7.733 12.513 1.090 1.00 0.00 C ATOM 898 CG ARG A 59 8.632 11.911 0.022 1.00 0.00 C ATOM 899 CD ARG A 59 10.033 11.652 0.554 1.00 0.00 C ATOM 900 NE ARG A 59 10.011 11.083 1.899 1.00 0.00 N ATOM 901 CZ ARG A 59 9.937 9.779 2.144 1.00 0.00 C ATOM 902 NH1 ARG A 59 9.878 8.915 1.140 1.00 0.00 N ATOM 903 NH2 ARG A 59 9.922 9.338 3.395 1.00 0.00 N ATOM 0 H ARG A 59 5.583 11.216 0.025 1.00 0.00 H new ATOM 0 HA ARG A 59 6.095 13.904 1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.272 13.313 1.598 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.512 11.752 1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.199 10.977 -0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.685 12.585 -0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.556 10.972 -0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.595 12.586 0.565 1.00 0.00 H new ATOM 0 HE ARG A 59 10.055 11.721 2.693 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.889 9.251 0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.821 7.915 1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.967 10.000 4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.865 8.337 3.582 1.00 0.00 H new ATOM 917 N GLN A 60 7.417 14.634 -1.018 1.00 0.00 N ATOM 918 CA GLN A 60 7.693 15.218 -2.326 1.00 0.00 C ATOM 919 C GLN A 60 8.264 14.174 -3.279 1.00 0.00 C ATOM 920 O GLN A 60 9.382 13.695 -3.092 1.00 0.00 O ATOM 921 CB GLN A 60 8.667 16.389 -2.189 1.00 0.00 C ATOM 922 CG GLN A 60 8.515 17.437 -3.280 1.00 0.00 C ATOM 923 CD GLN A 60 9.293 18.704 -2.983 1.00 0.00 C ATOM 924 OE1 GLN A 60 10.374 18.925 -3.529 1.00 0.00 O ATOM 925 NE2 GLN A 60 8.744 19.546 -2.115 1.00 0.00 N ATOM 0 H GLN A 60 7.882 15.102 -0.240 1.00 0.00 H new ATOM 0 HA GLN A 60 6.753 15.583 -2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.519 16.863 -1.219 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.687 16.006 -2.204 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.854 17.021 -4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.460 17.682 -3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.846 19.323 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.220 20.416 -1.877 1.00 0.00 H new ATOM 934 N TRP A 61 7.489 13.825 -4.300 1.00 0.00 N ATOM 935 CA TRP A 61 7.918 12.837 -5.283 1.00 0.00 C ATOM 936 C TRP A 61 9.245 13.240 -5.917 1.00 0.00 C ATOM 937 O TRP A 61 9.655 14.397 -5.834 1.00 0.00 O ATOM 938 CB TRP A 61 6.851 12.668 -6.366 1.00 0.00 C ATOM 939 CG TRP A 61 7.114 11.512 -7.283 1.00 0.00 C ATOM 940 CD1 TRP A 61 7.454 11.575 -8.604 1.00 0.00 C ATOM 941 CD2 TRP A 61 7.056 10.121 -6.947 1.00 0.00 C ATOM 942 NE1 TRP A 61 7.611 10.307 -9.110 1.00 0.00 N ATOM 943 CE2 TRP A 61 7.373 9.397 -8.113 1.00 0.00 C ATOM 944 CE3 TRP A 61 6.770 9.417 -5.774 1.00 0.00 C ATOM 945 CZ2 TRP A 61 7.410 8.006 -8.138 1.00 0.00 C ATOM 946 CZ3 TRP A 61 6.806 8.036 -5.801 1.00 0.00 C ATOM 947 CH2 TRP A 61 7.125 7.342 -6.976 1.00 0.00 C ATOM 0 H TRP A 61 6.560 14.212 -4.469 1.00 0.00 H new ATOM 0 HA TRP A 61 8.057 11.886 -4.769 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.879 12.532 -5.891 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.793 13.584 -6.955 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.581 12.487 -9.168 1.00 0.00 H new ATOM 0 HE1 TRP A 61 7.864 10.080 -10.072 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.525 9.943 -4.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 7.655 7.470 -9.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.584 7.482 -4.901 1.00 0.00 H new ATOM 0 HH2 TRP A 61 7.146 6.262 -6.964 1.00 0.00 H new ATOM 958 N GLU A 62 9.909 12.279 -6.551 1.00 0.00 N ATOM 959 CA GLU A 62 11.190 12.537 -7.198 1.00 0.00 C ATOM 960 C GLU A 62 11.488 11.477 -8.255 1.00 0.00 C ATOM 961 O GLU A 62 11.270 10.286 -8.033 1.00 0.00 O ATOM 962 CB GLU A 62 12.314 12.568 -6.161 1.00 0.00 C ATOM 963 CG GLU A 62 13.692 12.792 -6.762 1.00 0.00 C ATOM 964 CD GLU A 62 14.663 13.417 -5.779 1.00 0.00 C ATOM 965 OE1 GLU A 62 15.217 12.678 -4.940 1.00 0.00 O ATOM 966 OE2 GLU A 62 14.869 14.647 -5.851 1.00 0.00 O ATOM 0 H GLU A 62 9.582 11.316 -6.630 1.00 0.00 H new ATOM 0 HA GLU A 62 11.131 13.509 -7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.109 13.359 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.315 11.627 -5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.093 11.839 -7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.602 13.435 -7.637 1.00 0.00 H new ATOM 973 N GLU A 63 11.988 11.920 -9.405 1.00 0.00 N ATOM 974 CA GLU A 63 12.314 11.009 -10.496 1.00 0.00 C ATOM 975 C GLU A 63 13.040 9.773 -9.974 1.00 0.00 C ATOM 976 O GLU A 63 12.776 8.654 -10.414 1.00 0.00 O ATOM 977 CB GLU A 63 13.178 11.719 -11.540 1.00 0.00 C ATOM 978 CG GLU A 63 12.395 12.659 -12.441 1.00 0.00 C ATOM 979 CD GLU A 63 13.269 13.728 -13.069 1.00 0.00 C ATOM 980 OE1 GLU A 63 14.008 14.403 -12.322 1.00 0.00 O ATOM 981 OE2 GLU A 63 13.213 13.890 -14.306 1.00 0.00 O ATOM 0 H GLU A 63 12.176 12.902 -9.605 1.00 0.00 H new ATOM 0 HA GLU A 63 11.381 10.691 -10.962 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.958 12.284 -11.030 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.677 10.971 -12.156 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.911 12.082 -13.229 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.604 13.136 -11.863 1.00 0.00 H new ATOM 988 N GLN A 64 13.956 9.984 -9.034 1.00 0.00 N ATOM 989 CA GLN A 64 14.721 8.887 -8.454 1.00 0.00 C ATOM 990 C GLN A 64 13.815 7.951 -7.661 1.00 0.00 C ATOM 991 O GLN A 64 14.047 6.743 -7.609 1.00 0.00 O ATOM 992 CB GLN A 64 15.828 9.432 -7.550 1.00 0.00 C ATOM 993 CG GLN A 64 16.708 10.472 -8.224 1.00 0.00 C ATOM 994 CD GLN A 64 17.624 9.871 -9.271 1.00 0.00 C ATOM 995 OE1 GLN A 64 18.036 8.716 -9.163 1.00 0.00 O ATOM 996 NE2 GLN A 64 17.949 10.654 -10.294 1.00 0.00 N ATOM 0 H GLN A 64 14.186 10.904 -8.658 1.00 0.00 H new ATOM 0 HA GLN A 64 15.173 8.321 -9.269 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.376 9.872 -6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 64 16.452 8.604 -7.214 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.077 11.229 -8.690 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.309 10.979 -7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.585 11.605 -10.344 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.563 10.304 -11.030 1.00 0.00 H new ATOM 1005 N HIS A 65 12.783 8.517 -7.044 1.00 0.00 N ATOM 1006 CA HIS A 65 11.841 7.733 -6.253 1.00 0.00 C ATOM 1007 C HIS A 65 11.056 6.771 -7.140 1.00 0.00 C ATOM 1008 O HIS A 65 10.584 5.732 -6.679 1.00 0.00 O ATOM 1009 CB HIS A 65 10.879 8.656 -5.504 1.00 0.00 C ATOM 1010 CG HIS A 65 10.198 7.996 -4.344 1.00 0.00 C ATOM 1011 ND1 HIS A 65 10.020 6.632 -4.252 1.00 0.00 N ATOM 1012 CD2 HIS A 65 9.651 8.522 -3.223 1.00 0.00 C ATOM 1013 CE1 HIS A 65 9.392 6.347 -3.126 1.00 0.00 C ATOM 1014 NE2 HIS A 65 9.156 7.477 -2.483 1.00 0.00 N ATOM 0 H HIS A 65 12.578 9.516 -7.076 1.00 0.00 H new ATOM 0 HA HIS A 65 12.410 7.150 -5.529 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.429 9.526 -5.145 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.123 9.021 -6.199 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.326 5.949 -4.946 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.611 9.569 -2.960 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.118 5.359 -2.788 1.00 0.00 H new ATOM 1022 N ARG A 66 10.919 7.126 -8.413 1.00 0.00 N ATOM 1023 CA ARG A 66 10.189 6.296 -9.363 1.00 0.00 C ATOM 1024 C ARG A 66 10.803 4.902 -9.450 1.00 0.00 C ATOM 1025 O ARG A 66 10.112 3.897 -9.288 1.00 0.00 O ATOM 1026 CB ARG A 66 10.184 6.950 -10.746 1.00 0.00 C ATOM 1027 CG ARG A 66 9.763 8.410 -10.728 1.00 0.00 C ATOM 1028 CD ARG A 66 9.392 8.901 -12.119 1.00 0.00 C ATOM 1029 NE ARG A 66 10.535 9.484 -12.816 1.00 0.00 N ATOM 1030 CZ ARG A 66 11.454 8.765 -13.450 1.00 0.00 C ATOM 1031 NH1 ARG A 66 11.364 7.442 -13.475 1.00 0.00 N ATOM 1032 NH2 ARG A 66 12.465 9.368 -14.062 1.00 0.00 N ATOM 0 H ARG A 66 11.304 7.983 -8.810 1.00 0.00 H new ATOM 0 HA ARG A 66 9.162 6.201 -9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.182 6.874 -11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.511 6.395 -11.399 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.913 8.536 -10.058 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.575 9.019 -10.331 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.996 8.070 -12.703 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.597 9.643 -12.042 1.00 0.00 H new ATOM 0 HE ARG A 66 10.633 10.499 -12.816 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.588 6.975 -13.007 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.071 6.892 -13.963 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.537 10.385 -14.046 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.170 8.814 -14.549 1.00 0.00 H new ATOM 1046 N GLY A 67 12.106 4.849 -9.709 1.00 0.00 N ATOM 1047 CA GLY A 67 12.791 3.574 -9.814 1.00 0.00 C ATOM 1048 C GLY A 67 13.229 3.039 -8.466 1.00 0.00 C ATOM 1049 O GLY A 67 14.056 2.130 -8.391 1.00 0.00 O ATOM 0 H GLY A 67 12.700 5.667 -9.848 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.132 2.849 -10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.663 3.686 -10.458 1.00 0.00 H new ATOM 1053 N ARG A 68 12.676 3.604 -7.398 1.00 0.00 N ATOM 1054 CA ARG A 68 13.017 3.180 -6.046 1.00 0.00 C ATOM 1055 C ARG A 68 11.789 3.208 -5.141 1.00 0.00 C ATOM 1056 O ARG A 68 10.679 3.490 -5.592 1.00 0.00 O ATOM 1057 CB ARG A 68 14.111 4.079 -5.467 1.00 0.00 C ATOM 1058 CG ARG A 68 15.408 4.048 -6.259 1.00 0.00 C ATOM 1059 CD ARG A 68 16.279 5.255 -5.950 1.00 0.00 C ATOM 1060 NE ARG A 68 17.600 5.149 -6.564 1.00 0.00 N ATOM 1061 CZ ARG A 68 18.595 4.436 -6.047 1.00 0.00 C ATOM 1062 NH1 ARG A 68 18.419 3.771 -4.913 1.00 0.00 N ATOM 1063 NH2 ARG A 68 19.769 4.388 -6.664 1.00 0.00 N ATOM 0 H ARG A 68 11.989 4.357 -7.443 1.00 0.00 H new ATOM 0 HA ARG A 68 13.387 2.156 -6.096 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.744 5.104 -5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.315 3.774 -4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.955 3.134 -6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.184 4.023 -7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.785 6.159 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.388 5.356 -4.870 1.00 0.00 H new ATOM 0 HE ARG A 68 17.768 5.649 -7.437 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.518 3.806 -4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 68 19.184 3.224 -4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.908 4.899 -7.536 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.532 3.840 -6.266 1.00 0.00 H new ATOM 1077 N SER A 69 11.996 2.913 -3.861 1.00 0.00 N ATOM 1078 CA SER A 69 10.906 2.901 -2.893 1.00 0.00 C ATOM 1079 C SER A 69 11.079 4.014 -1.865 1.00 0.00 C ATOM 1080 O SER A 69 12.068 4.747 -1.887 1.00 0.00 O ATOM 1081 CB SER A 69 10.838 1.545 -2.187 1.00 0.00 C ATOM 1082 OG SER A 69 12.090 1.204 -1.617 1.00 0.00 O ATOM 0 H SER A 69 12.909 2.679 -3.471 1.00 0.00 H new ATOM 0 HA SER A 69 9.973 3.070 -3.431 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.076 1.575 -1.408 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.537 0.776 -2.898 1.00 0.00 H new ATOM 0 HG SER A 69 12.020 0.335 -1.170 1.00 0.00 H new ATOM 1088 N CYS A 70 10.109 4.135 -0.965 1.00 0.00 N ATOM 1089 CA CYS A 70 10.151 5.159 0.073 1.00 0.00 C ATOM 1090 C CYS A 70 11.414 5.024 0.918 1.00 0.00 C ATOM 1091 O CYS A 70 11.964 6.018 1.392 1.00 0.00 O ATOM 1092 CB CYS A 70 8.913 5.061 0.966 1.00 0.00 C ATOM 1093 SG CYS A 70 7.342 4.952 0.050 1.00 0.00 S ATOM 0 H CYS A 70 9.284 3.536 -0.933 1.00 0.00 H new ATOM 0 HA CYS A 70 10.163 6.134 -0.413 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.009 4.185 1.607 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.880 5.932 1.620 1.00 0.00 H new ATOM 1098 N GLU A 71 11.867 3.788 1.103 1.00 0.00 N ATOM 1099 CA GLU A 71 13.065 3.524 1.892 1.00 0.00 C ATOM 1100 C GLU A 71 14.325 3.791 1.074 1.00 0.00 C ATOM 1101 O GLU A 71 15.122 4.667 1.411 1.00 0.00 O ATOM 1102 CB GLU A 71 13.065 2.077 2.390 1.00 0.00 C ATOM 1103 CG GLU A 71 14.270 1.728 3.247 1.00 0.00 C ATOM 1104 CD GLU A 71 14.174 0.342 3.853 1.00 0.00 C ATOM 1105 OE1 GLU A 71 13.503 -0.523 3.253 1.00 0.00 O ATOM 1106 OE2 GLU A 71 14.772 0.122 4.927 1.00 0.00 O ATOM 0 H GLU A 71 11.423 2.954 0.718 1.00 0.00 H new ATOM 0 HA GLU A 71 13.060 4.197 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.157 1.900 2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.034 1.406 1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 71 15.173 1.793 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.368 2.463 4.046 1.00 0.00 H new ATOM 1113 N ASP A 72 14.498 3.031 -0.001 1.00 0.00 N ATOM 1114 CA ASP A 72 15.661 3.185 -0.868 1.00 0.00 C ATOM 1115 C ASP A 72 15.810 4.633 -1.324 1.00 0.00 C ATOM 1116 O ASP A 72 16.923 5.147 -1.440 1.00 0.00 O ATOM 1117 CB ASP A 72 15.544 2.264 -2.083 1.00 0.00 C ATOM 1118 CG ASP A 72 16.025 0.856 -1.791 1.00 0.00 C ATOM 1119 OD1 ASP A 72 15.978 0.445 -0.613 1.00 0.00 O ATOM 1120 OD2 ASP A 72 16.447 0.165 -2.741 1.00 0.00 O ATOM 0 H ASP A 72 13.848 2.302 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 72 16.548 2.909 -0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.505 2.229 -2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 72 16.124 2.679 -2.907 1.00 0.00 H new ATOM 1125 N PHE A 73 14.682 5.286 -1.582 1.00 0.00 N ATOM 1126 CA PHE A 73 14.687 6.674 -2.028 1.00 0.00 C ATOM 1127 C PHE A 73 15.474 7.553 -1.061 1.00 0.00 C ATOM 1128 O PHE A 73 16.436 8.214 -1.451 1.00 0.00 O ATOM 1129 CB PHE A 73 13.254 7.196 -2.157 1.00 0.00 C ATOM 1130 CG PHE A 73 13.176 8.647 -2.537 1.00 0.00 C ATOM 1131 CD1 PHE A 73 13.725 9.095 -3.728 1.00 0.00 C ATOM 1132 CD2 PHE A 73 12.554 9.563 -1.704 1.00 0.00 C ATOM 1133 CE1 PHE A 73 13.655 10.430 -4.080 1.00 0.00 C ATOM 1134 CE2 PHE A 73 12.481 10.899 -2.051 1.00 0.00 C ATOM 1135 CZ PHE A 73 13.032 11.333 -3.241 1.00 0.00 C ATOM 0 H PHE A 73 13.753 4.876 -1.490 1.00 0.00 H new ATOM 0 HA PHE A 73 15.171 6.714 -3.004 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.726 6.604 -2.905 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.736 7.048 -1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 73 14.213 8.393 -4.388 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.121 9.229 -0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.087 10.767 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.994 11.603 -1.392 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.976 12.376 -3.515 1.00 0.00 H new ATOM 1145 N GLN A 74 15.058 7.555 0.201 1.00 0.00 N ATOM 1146 CA GLN A 74 15.723 8.353 1.224 1.00 0.00 C ATOM 1147 C GLN A 74 17.233 8.140 1.184 1.00 0.00 C ATOM 1148 O GLN A 74 18.003 9.098 1.127 1.00 0.00 O ATOM 1149 CB GLN A 74 15.183 7.998 2.610 1.00 0.00 C ATOM 1150 CG GLN A 74 15.936 8.669 3.747 1.00 0.00 C ATOM 1151 CD GLN A 74 15.184 8.608 5.062 1.00 0.00 C ATOM 1152 OE1 GLN A 74 14.348 9.464 5.352 1.00 0.00 O ATOM 1153 NE2 GLN A 74 15.477 7.593 5.866 1.00 0.00 N ATOM 0 H GLN A 74 14.263 7.013 0.540 1.00 0.00 H new ATOM 0 HA GLN A 74 15.517 9.404 1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 74 14.132 8.281 2.665 1.00 0.00 H new ATOM 0 HB3 GLN A 74 15.229 6.917 2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 74 16.908 8.190 3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 74 16.124 9.711 3.488 1.00 0.00 H new ATOM 0 HE21 GLN A 74 16.177 6.906 5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.002 7.500 6.764 1.00 0.00 H new ATOM 1162 N ASN A 75 17.649 6.878 1.214 1.00 0.00 N ATOM 1163 CA ASN A 75 19.067 6.540 1.182 1.00 0.00 C ATOM 1164 C ASN A 75 19.765 7.231 0.015 1.00 0.00 C ATOM 1165 O ASN A 75 20.933 7.608 0.113 1.00 0.00 O ATOM 1166 CB ASN A 75 19.249 5.024 1.075 1.00 0.00 C ATOM 1167 CG ASN A 75 18.796 4.298 2.327 1.00 0.00 C ATOM 1168 OD1 ASN A 75 19.573 4.110 3.264 1.00 0.00 O ATOM 1169 ND2 ASN A 75 17.535 3.884 2.347 1.00 0.00 N ATOM 0 H ASN A 75 17.024 6.073 1.260 1.00 0.00 H new ATOM 0 HA ASN A 75 19.519 6.889 2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 75 18.686 4.653 0.219 1.00 0.00 H new ATOM 0 HB3 ASN A 75 20.299 4.799 0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.174 3.388 3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.927 4.062 1.548 1.00 0.00 H new ATOM 1176 N TRP A 76 19.042 7.393 -1.087 1.00 0.00 N ATOM 1177 CA TRP A 76 19.592 8.040 -2.273 1.00 0.00 C ATOM 1178 C TRP A 76 19.677 9.550 -2.080 1.00 0.00 C ATOM 1179 O TRP A 76 20.498 10.221 -2.705 1.00 0.00 O ATOM 1180 CB TRP A 76 18.735 7.717 -3.498 1.00 0.00 C ATOM 1181 CG TRP A 76 19.174 8.437 -4.737 1.00 0.00 C ATOM 1182 CD1 TRP A 76 19.784 7.891 -5.830 1.00 0.00 C ATOM 1183 CD2 TRP A 76 19.040 9.837 -5.008 1.00 0.00 C ATOM 1184 NE1 TRP A 76 20.037 8.866 -6.764 1.00 0.00 N ATOM 1185 CE2 TRP A 76 19.589 10.068 -6.285 1.00 0.00 C ATOM 1186 CE3 TRP A 76 18.508 10.916 -4.298 1.00 0.00 C ATOM 1187 CZ2 TRP A 76 19.621 11.335 -6.862 1.00 0.00 C ATOM 1188 CZ3 TRP A 76 18.541 12.172 -4.873 1.00 0.00 C ATOM 1189 CH2 TRP A 76 19.093 12.373 -6.145 1.00 0.00 C ATOM 0 H TRP A 76 18.074 7.086 -1.184 1.00 0.00 H new ATOM 0 HA TRP A 76 20.600 7.656 -2.432 1.00 0.00 H new ATOM 0 HB2 TRP A 76 18.765 6.643 -3.681 1.00 0.00 H new ATOM 0 HB3 TRP A 76 17.698 7.975 -3.285 1.00 0.00 H new ATOM 0 HD1 TRP A 76 20.031 6.846 -5.943 1.00 0.00 H new ATOM 0 HE1 TRP A 76 20.486 8.718 -7.668 1.00 0.00 H new ATOM 0 HE3 TRP A 76 18.079 10.771 -3.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 20.048 11.492 -7.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 18.134 13.014 -4.332 1.00 0.00 H new ATOM 0 HH2 TRP A 76 19.102 13.367 -6.567 1.00 0.00 H new ATOM 1200 N LYS A 77 18.823 10.080 -1.211 1.00 0.00 N ATOM 1201 CA LYS A 77 18.802 11.511 -0.934 1.00 0.00 C ATOM 1202 C LYS A 77 20.003 11.919 -0.087 1.00 0.00 C ATOM 1203 O LYS A 77 20.681 12.902 -0.388 1.00 0.00 O ATOM 1204 CB LYS A 77 17.506 11.894 -0.216 1.00 0.00 C ATOM 1205 CG LYS A 77 16.251 11.523 -0.988 1.00 0.00 C ATOM 1206 CD LYS A 77 16.076 12.394 -2.220 1.00 0.00 C ATOM 1207 CE LYS A 77 15.760 13.834 -1.844 1.00 0.00 C ATOM 1208 NZ LYS A 77 14.932 14.509 -2.882 1.00 0.00 N ATOM 0 H LYS A 77 18.136 9.539 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 77 18.853 12.040 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.482 11.405 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.506 12.969 -0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 77 16.302 10.476 -1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 77 15.380 11.628 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 77 16.986 12.365 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 77 15.273 11.994 -2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.233 13.853 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.690 14.386 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.368 15.263 -2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.553 14.921 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.296 13.815 -3.324 1.00 0.00 H new ATOM 1222 N ARG A 78 20.263 11.157 0.970 1.00 0.00 N ATOM 1223 CA ARG A 78 21.383 11.440 1.859 1.00 0.00 C ATOM 1224 C ARG A 78 22.711 11.304 1.120 1.00 0.00 C ATOM 1225 O ARG A 78 23.669 12.021 1.408 1.00 0.00 O ATOM 1226 CB ARG A 78 21.358 10.495 3.062 1.00 0.00 C ATOM 1227 CG ARG A 78 21.797 9.078 2.733 1.00 0.00 C ATOM 1228 CD ARG A 78 21.881 8.216 3.983 1.00 0.00 C ATOM 1229 NE ARG A 78 22.362 6.869 3.689 1.00 0.00 N ATOM 1230 CZ ARG A 78 23.626 6.589 3.390 1.00 0.00 C ATOM 1231 NH1 ARG A 78 24.531 7.558 3.347 1.00 0.00 N ATOM 1232 NH2 ARG A 78 23.987 5.339 3.134 1.00 0.00 N ATOM 0 H ARG A 78 19.713 10.339 1.232 1.00 0.00 H new ATOM 0 HA ARG A 78 21.285 12.467 2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 78 22.006 10.895 3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.348 10.468 3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.094 8.632 2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.769 9.102 2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 78 22.547 8.689 4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 78 20.897 8.156 4.448 1.00 0.00 H new ATOM 0 HE ARG A 78 21.691 6.101 3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 78 24.257 8.521 3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 78 25.501 7.340 3.117 1.00 0.00 H new ATOM 0 HH21 ARG A 78 23.294 4.591 3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 78 24.958 5.125 2.905 1.00 0.00 H new ATOM 1246 N MET A 79 22.760 10.379 0.167 1.00 0.00 N ATOM 1247 CA MET A 79 23.971 10.150 -0.613 1.00 0.00 C ATOM 1248 C MET A 79 24.122 11.204 -1.705 1.00 0.00 C ATOM 1249 O MET A 79 25.168 11.839 -1.827 1.00 0.00 O ATOM 1250 CB MET A 79 23.945 8.753 -1.237 1.00 0.00 C ATOM 1251 CG MET A 79 24.082 7.631 -0.221 1.00 0.00 C ATOM 1252 SD MET A 79 24.562 6.065 -0.976 1.00 0.00 S ATOM 1253 CE MET A 79 23.117 5.715 -1.975 1.00 0.00 C ATOM 0 H MET A 79 21.976 9.776 -0.084 1.00 0.00 H new ATOM 0 HA MET A 79 24.826 10.224 0.060 1.00 0.00 H new ATOM 0 HB2 MET A 79 23.010 8.625 -1.783 1.00 0.00 H new ATOM 0 HB3 MET A 79 24.753 8.674 -1.965 1.00 0.00 H new ATOM 0 HG2 MET A 79 24.824 7.912 0.527 1.00 0.00 H new ATOM 0 HG3 MET A 79 23.135 7.502 0.302 1.00 0.00 H new ATOM 0 HE1 MET A 79 23.238 4.749 -2.464 1.00 0.00 H new ATOM 0 HE2 MET A 79 22.232 5.691 -1.339 1.00 0.00 H new ATOM 0 HE3 MET A 79 23.000 6.492 -2.731 1.00 0.00 H new ATOM 1263 N ASN A 80 23.069 11.386 -2.496 1.00 0.00 N ATOM 1264 CA ASN A 80 23.085 12.363 -3.578 1.00 0.00 C ATOM 1265 C ASN A 80 23.027 13.785 -3.028 1.00 0.00 C ATOM 1266 O ASN A 80 23.963 14.566 -3.199 1.00 0.00 O ATOM 1267 CB ASN A 80 21.910 12.123 -4.527 1.00 0.00 C ATOM 1268 CG ASN A 80 22.124 10.915 -5.419 1.00 0.00 C ATOM 1269 OD1 ASN A 80 22.420 11.051 -6.606 1.00 0.00 O ATOM 1270 ND2 ASN A 80 21.975 9.725 -4.849 1.00 0.00 N ATOM 0 H ASN A 80 22.194 10.869 -2.407 1.00 0.00 H new ATOM 0 HA ASN A 80 24.018 12.243 -4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 80 20.999 11.984 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 80 21.761 13.007 -5.147 1.00 0.00 H new ATOM 0 HD21 ASN A 80 22.107 8.876 -5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 80 21.729 9.660 -3.861 1.00 0.00 H new ATOM 1277 N SER A 81 21.922 14.113 -2.366 1.00 0.00 N ATOM 1278 CA SER A 81 21.740 15.441 -1.793 1.00 0.00 C ATOM 1279 C SER A 81 22.742 15.691 -0.670 1.00 0.00 C ATOM 1280 O SER A 81 23.345 14.757 -0.142 1.00 0.00 O ATOM 1281 CB SER A 81 20.313 15.600 -1.264 1.00 0.00 C ATOM 1282 OG SER A 81 19.927 16.964 -1.240 1.00 0.00 O ATOM 0 H SER A 81 21.139 13.477 -2.213 1.00 0.00 H new ATOM 0 HA SER A 81 21.912 16.176 -2.580 1.00 0.00 H new ATOM 0 HB2 SER A 81 19.624 15.035 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 81 20.245 15.182 -0.260 1.00 0.00 H new ATOM 0 HG SER A 81 19.011 17.039 -0.900 1.00 0.00 H new ATOM 1288 N GLY A 82 22.915 16.959 -0.311 1.00 0.00 N ATOM 1289 CA GLY A 82 23.845 17.310 0.747 1.00 0.00 C ATOM 1290 C GLY A 82 23.611 18.708 1.284 1.00 0.00 C ATOM 1291 O GLY A 82 24.162 19.689 0.784 1.00 0.00 O ATOM 0 H GLY A 82 22.428 17.749 -0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 82 23.753 16.591 1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 82 24.865 17.235 0.370 1.00 0.00 H new ATOM 1295 N PRO A 83 22.773 18.814 2.326 1.00 0.00 N ATOM 1296 CA PRO A 83 22.447 20.098 2.954 1.00 0.00 C ATOM 1297 C PRO A 83 23.629 20.686 3.718 1.00 0.00 C ATOM 1298 O PRO A 83 23.513 21.741 4.342 1.00 0.00 O ATOM 1299 CB PRO A 83 21.310 19.744 3.916 1.00 0.00 C ATOM 1300 CG PRO A 83 21.508 18.300 4.222 1.00 0.00 C ATOM 1301 CD PRO A 83 22.080 17.687 2.973 1.00 0.00 C ATOM 0 HA PRO A 83 22.180 20.856 2.218 1.00 0.00 H new ATOM 0 HB2 PRO A 83 21.354 20.350 4.821 1.00 0.00 H new ATOM 0 HB3 PRO A 83 20.336 19.922 3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 83 22.185 18.169 5.066 1.00 0.00 H new ATOM 0 HG3 PRO A 83 20.565 17.826 4.493 1.00 0.00 H new ATOM 0 HD2 PRO A 83 22.766 16.872 3.203 1.00 0.00 H new ATOM 0 HD3 PRO A 83 21.299 17.275 2.334 1.00 0.00 H new ATOM 1309 N SER A 84 24.764 19.997 3.665 1.00 0.00 N ATOM 1310 CA SER A 84 25.966 20.450 4.355 1.00 0.00 C ATOM 1311 C SER A 84 27.091 20.725 3.363 1.00 0.00 C ATOM 1312 O SER A 84 27.243 20.017 2.367 1.00 0.00 O ATOM 1313 CB SER A 84 26.417 19.405 5.378 1.00 0.00 C ATOM 1314 OG SER A 84 27.145 20.006 6.434 1.00 0.00 O ATOM 0 H SER A 84 24.877 19.123 3.151 1.00 0.00 H new ATOM 0 HA SER A 84 25.728 21.378 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 84 25.547 18.887 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 84 27.036 18.654 4.887 1.00 0.00 H new ATOM 0 HG SER A 84 27.420 19.318 7.075 1.00 0.00 H new ATOM 1320 N SER A 85 27.879 21.759 3.642 1.00 0.00 N ATOM 1321 CA SER A 85 28.989 22.131 2.773 1.00 0.00 C ATOM 1322 C SER A 85 30.177 21.196 2.977 1.00 0.00 C ATOM 1323 O SER A 85 30.719 20.645 2.021 1.00 0.00 O ATOM 1324 CB SER A 85 29.412 23.577 3.041 1.00 0.00 C ATOM 1325 OG SER A 85 28.525 24.491 2.419 1.00 0.00 O ATOM 0 H SER A 85 27.769 22.354 4.463 1.00 0.00 H new ATOM 0 HA SER A 85 28.653 22.043 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 85 29.433 23.760 4.115 1.00 0.00 H new ATOM 0 HB3 SER A 85 30.424 23.738 2.670 1.00 0.00 H new ATOM 0 HG SER A 85 28.816 25.408 2.606 1.00 0.00 H new ATOM 1331 N GLY A 86 30.576 21.022 4.234 1.00 0.00 N ATOM 1332 CA GLY A 86 31.696 20.153 4.543 1.00 0.00 C ATOM 1333 C GLY A 86 31.692 19.692 5.987 1.00 0.00 C ATOM 1334 O GLY A 86 32.755 19.374 6.518 1.00 0.00 O ATOM 0 H GLY A 86 30.143 21.467 5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 86 31.668 19.283 3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 86 32.628 20.679 4.335 1.00 0.00 H new TER 1338 GLY A 86 HETATM 1339 ZN ZN A 201 -3.577 18.958 -1.485 1.00 0.00 ZN HETATM 1340 ZN ZN A 401 7.298 6.893 -1.216 1.00 0.00 ZN