USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 471 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 16 HIS : no HD1:sc= -0.0541 X(o=-1.2,f=-1.7) USER MOD Set 1.2: A 26 MET CE :methyl 176:sc= -1.18 (180deg=-1.16) USER MOD Single : A 1 TRP N :NH3+ 158:sc= 0.659 (180deg=0.299) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 173:sc= 0 (180deg=-0.0522) USER MOD Single : A 8 THR OG1 : rot 83:sc= 0.577 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -143:sc= 0.11 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.149 X(o=0.15,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -30:sc= 0.392 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 35 CYS SG : rot -23:sc= -1.37 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.57) USER MOD Single : A 39 TYR OH : rot 180:sc= 0.481 USER MOD Single : A 53 GLN : amide:sc=-0.00671 X(o=-0.0067,f=-0.033) USER MOD Single : A 54 GLN : amide:sc= -0.0734 X(o=-0.073,f=-0.39) USER MOD Single : A 55 HIS : no HD1:sc= -0.538 X(o=-0.54,f=-0.41) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 2.599 1.285 -0.694 1.00 0.00 N ATOM 2 CA TRP A 1 3.153 1.128 -2.058 1.00 0.00 C ATOM 3 C TRP A 1 2.926 -0.317 -2.544 1.00 0.00 C ATOM 4 O TRP A 1 3.610 -1.245 -2.088 1.00 0.00 O ATOM 5 CB TRP A 1 4.666 1.480 -2.099 1.00 0.00 C ATOM 6 CG TRP A 1 4.994 2.915 -1.724 1.00 0.00 C ATOM 7 CD1 TRP A 1 4.857 3.497 -0.497 1.00 0.00 C ATOM 8 CD2 TRP A 1 5.548 3.926 -2.580 1.00 0.00 C ATOM 9 NE1 TRP A 1 5.265 4.803 -0.542 1.00 0.00 N ATOM 10 CE2 TRP A 1 5.696 5.090 -1.809 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.929 3.961 -3.922 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.203 6.271 -2.335 1.00 0.00 C ATOM 13 CZ3 TRP A 1 6.433 5.132 -4.444 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.569 6.278 -3.652 1.00 0.00 C ATOM 0 H1 TRP A 1 3.056 2.093 -0.225 1.00 0.00 H new ATOM 0 H2 TRP A 1 1.574 1.452 -0.753 1.00 0.00 H new ATOM 0 H3 TRP A 1 2.777 0.420 -0.145 1.00 0.00 H new ATOM 0 HA TRP A 1 2.635 1.821 -2.722 1.00 0.00 H new ATOM 0 HB2 TRP A 1 5.199 0.811 -1.423 1.00 0.00 H new ATOM 0 HB3 TRP A 1 5.043 1.286 -3.103 1.00 0.00 H new ATOM 0 HD1 TRP A 1 4.480 2.998 0.384 1.00 0.00 H new ATOM 0 HE1 TRP A 1 5.250 5.456 0.241 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.830 3.083 -4.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 6.305 7.155 -1.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 6.728 5.166 -5.482 1.00 0.00 H new ATOM 0 HH2 TRP A 1 6.969 7.181 -4.088 1.00 0.00 H new ATOM 25 N THR A 2 1.955 -0.498 -3.458 1.00 0.00 N ATOM 26 CA THR A 2 1.651 -1.802 -4.084 1.00 0.00 C ATOM 27 C THR A 2 2.867 -2.304 -4.914 1.00 0.00 C ATOM 28 O THR A 2 3.752 -1.510 -5.258 1.00 0.00 O ATOM 29 CB THR A 2 0.363 -1.670 -4.979 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.683 -1.002 -4.243 1.00 0.00 O ATOM 31 CG2 THR A 2 -0.162 -3.034 -5.477 1.00 0.00 C ATOM 0 H THR A 2 1.355 0.259 -3.786 1.00 0.00 H new ATOM 0 HA THR A 2 1.457 -2.540 -3.306 1.00 0.00 H new ATOM 0 HB THR A 2 0.648 -1.086 -5.854 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.480 -0.922 -4.807 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.051 -2.880 -6.089 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.608 -3.525 -6.072 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.414 -3.661 -4.622 1.00 0.00 H new ATOM 39 N GLU A 3 2.891 -3.612 -5.231 1.00 0.00 N ATOM 40 CA GLU A 3 4.020 -4.294 -5.917 1.00 0.00 C ATOM 41 C GLU A 3 4.466 -3.578 -7.213 1.00 0.00 C ATOM 42 O GLU A 3 5.648 -3.630 -7.581 1.00 0.00 O ATOM 43 CB GLU A 3 3.634 -5.766 -6.230 1.00 0.00 C ATOM 44 CG GLU A 3 3.041 -6.568 -5.042 1.00 0.00 C ATOM 45 CD GLU A 3 3.987 -6.706 -3.835 1.00 0.00 C ATOM 46 OE1 GLU A 3 4.789 -7.666 -3.789 1.00 0.00 O ATOM 47 OE2 GLU A 3 3.929 -5.854 -2.918 1.00 0.00 O ATOM 0 H GLU A 3 2.117 -4.241 -5.017 1.00 0.00 H new ATOM 0 HA GLU A 3 4.869 -4.264 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.910 -5.768 -7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.521 -6.287 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.122 -6.083 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.769 -7.564 -5.391 1.00 0.00 H new ATOM 54 N GLU A 4 3.521 -2.896 -7.874 1.00 0.00 N ATOM 55 CA GLU A 4 3.766 -2.204 -9.149 1.00 0.00 C ATOM 56 C GLU A 4 4.801 -1.071 -8.969 1.00 0.00 C ATOM 57 O GLU A 4 5.841 -1.042 -9.643 1.00 0.00 O ATOM 58 CB GLU A 4 2.433 -1.639 -9.690 1.00 0.00 C ATOM 59 CG GLU A 4 1.260 -2.648 -9.712 1.00 0.00 C ATOM 60 CD GLU A 4 1.503 -3.889 -10.593 1.00 0.00 C ATOM 61 OE1 GLU A 4 2.098 -4.879 -10.108 1.00 0.00 O ATOM 62 OE2 GLU A 4 1.093 -3.892 -11.769 1.00 0.00 O ATOM 0 H GLU A 4 2.562 -2.808 -7.539 1.00 0.00 H new ATOM 0 HA GLU A 4 4.173 -2.916 -9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.145 -0.782 -9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.596 -1.271 -10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.060 -2.976 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.364 -2.137 -10.065 1.00 0.00 H new ATOM 69 N GLU A 5 4.503 -0.161 -8.028 1.00 0.00 N ATOM 70 CA GLU A 5 5.366 0.996 -7.706 1.00 0.00 C ATOM 71 C GLU A 5 6.555 0.582 -6.821 1.00 0.00 C ATOM 72 O GLU A 5 7.571 1.265 -6.820 1.00 0.00 O ATOM 73 CB GLU A 5 4.565 2.155 -7.050 1.00 0.00 C ATOM 74 CG GLU A 5 3.796 1.778 -5.757 1.00 0.00 C ATOM 75 CD GLU A 5 2.298 1.494 -5.973 1.00 0.00 C ATOM 76 OE1 GLU A 5 1.954 0.713 -6.880 1.00 0.00 O ATOM 77 OE2 GLU A 5 1.460 2.019 -5.207 1.00 0.00 O ATOM 0 H GLU A 5 3.654 -0.204 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 5 5.762 1.367 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.255 2.967 -6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.852 2.540 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.261 0.897 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.900 2.589 -5.036 1.00 0.00 H new ATOM 84 N MET A 6 6.383 -0.496 -6.027 1.00 0.00 N ATOM 85 CA MET A 6 7.450 -1.062 -5.160 1.00 0.00 C ATOM 86 C MET A 6 8.734 -1.357 -5.966 1.00 0.00 C ATOM 87 O MET A 6 9.823 -0.901 -5.599 1.00 0.00 O ATOM 88 CB MET A 6 6.951 -2.357 -4.447 1.00 0.00 C ATOM 89 CG MET A 6 8.044 -3.166 -3.715 1.00 0.00 C ATOM 90 SD MET A 6 8.896 -2.230 -2.422 1.00 0.00 S ATOM 91 CE MET A 6 7.611 -2.051 -1.189 1.00 0.00 C ATOM 0 H MET A 6 5.500 -1.003 -5.966 1.00 0.00 H new ATOM 0 HA MET A 6 7.691 -0.315 -4.404 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.181 -2.082 -3.726 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.479 -3.002 -5.188 1.00 0.00 H new ATOM 0 HG2 MET A 6 7.592 -4.053 -3.271 1.00 0.00 H new ATOM 0 HG3 MET A 6 8.777 -3.512 -4.444 1.00 0.00 H new ATOM 0 HE1 MET A 6 8.031 -1.604 -0.288 1.00 0.00 H new ATOM 0 HE2 MET A 6 6.821 -1.409 -1.578 1.00 0.00 H new ATOM 0 HE3 MET A 6 7.198 -3.031 -0.949 1.00 0.00 H new ATOM 101 N GLY A 7 8.579 -2.115 -7.065 1.00 0.00 N ATOM 102 CA GLY A 7 9.691 -2.452 -7.962 1.00 0.00 C ATOM 103 C GLY A 7 10.281 -1.231 -8.661 1.00 0.00 C ATOM 104 O GLY A 7 11.488 -1.172 -8.905 1.00 0.00 O ATOM 0 H GLY A 7 7.683 -2.508 -7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.474 -2.951 -7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.343 -3.162 -8.713 1.00 0.00 H new ATOM 108 N THR A 8 9.410 -0.256 -8.968 1.00 0.00 N ATOM 109 CA THR A 8 9.784 1.003 -9.639 1.00 0.00 C ATOM 110 C THR A 8 10.610 1.911 -8.695 1.00 0.00 C ATOM 111 O THR A 8 11.579 2.553 -9.123 1.00 0.00 O ATOM 112 CB THR A 8 8.497 1.752 -10.120 1.00 0.00 C ATOM 113 OG1 THR A 8 7.682 0.859 -10.899 1.00 0.00 O ATOM 114 CG2 THR A 8 8.813 2.999 -10.964 1.00 0.00 C ATOM 0 H THR A 8 8.414 -0.319 -8.755 1.00 0.00 H new ATOM 0 HA THR A 8 10.403 0.762 -10.503 1.00 0.00 H new ATOM 0 HB THR A 8 7.970 2.082 -9.225 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.139 0.305 -10.300 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.882 3.477 -11.269 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.403 3.699 -10.372 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.377 2.706 -11.849 1.00 0.00 H new ATOM 122 N ALA A 9 10.223 1.936 -7.401 1.00 0.00 N ATOM 123 CA ALA A 9 10.875 2.779 -6.374 1.00 0.00 C ATOM 124 C ALA A 9 12.198 2.154 -5.931 1.00 0.00 C ATOM 125 O ALA A 9 13.172 2.862 -5.688 1.00 0.00 O ATOM 126 CB ALA A 9 9.948 3.000 -5.166 1.00 0.00 C ATOM 0 H ALA A 9 9.452 1.374 -7.039 1.00 0.00 H new ATOM 0 HA ALA A 9 11.082 3.753 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.454 3.623 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.035 3.496 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.698 2.038 -4.719 1.00 0.00 H new ATOM 132 N LYS A 10 12.203 0.812 -5.840 1.00 0.00 N ATOM 133 CA LYS A 10 13.416 0.023 -5.556 1.00 0.00 C ATOM 134 C LYS A 10 14.446 0.229 -6.683 1.00 0.00 C ATOM 135 O LYS A 10 15.632 0.400 -6.414 1.00 0.00 O ATOM 136 CB LYS A 10 13.063 -1.493 -5.357 1.00 0.00 C ATOM 137 CG LYS A 10 14.275 -2.468 -5.169 1.00 0.00 C ATOM 138 CD LYS A 10 14.786 -3.083 -6.507 1.00 0.00 C ATOM 139 CE LYS A 10 16.100 -3.866 -6.349 1.00 0.00 C ATOM 140 NZ LYS A 10 15.965 -5.027 -5.430 1.00 0.00 N ATOM 0 H LYS A 10 11.365 0.243 -5.961 1.00 0.00 H new ATOM 0 HA LYS A 10 13.859 0.371 -4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.414 -1.582 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.486 -1.826 -6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.093 -1.931 -4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.983 -3.274 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.021 -3.747 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.931 -2.285 -7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.429 -4.217 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.874 -3.197 -5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.878 -5.521 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.677 -4.693 -4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.246 -5.681 -5.800 1.00 0.00 H new ATOM 154 N LYS A 11 13.952 0.220 -7.941 1.00 0.00 N ATOM 155 CA LYS A 11 14.763 0.500 -9.148 1.00 0.00 C ATOM 156 C LYS A 11 15.338 1.924 -9.080 1.00 0.00 C ATOM 157 O LYS A 11 16.500 2.137 -9.423 1.00 0.00 O ATOM 158 CB LYS A 11 13.904 0.313 -10.442 1.00 0.00 C ATOM 159 CG LYS A 11 14.536 0.833 -11.768 1.00 0.00 C ATOM 160 CD LYS A 11 15.925 0.222 -12.085 1.00 0.00 C ATOM 161 CE LYS A 11 16.555 0.824 -13.350 1.00 0.00 C ATOM 162 NZ LYS A 11 17.931 0.315 -13.586 1.00 0.00 N ATOM 0 H LYS A 11 12.974 0.017 -8.149 1.00 0.00 H new ATOM 0 HA LYS A 11 15.591 -0.208 -9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.687 -0.749 -10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.950 0.819 -10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.857 0.614 -12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.631 1.917 -11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.592 0.384 -11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.825 -0.856 -12.210 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.930 0.591 -14.212 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.581 1.910 -13.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.524 1.080 -13.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.335 -0.023 -12.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.899 -0.469 -14.268 1.00 0.00 H new ATOM 176 N GLY A 12 14.509 2.884 -8.633 1.00 0.00 N ATOM 177 CA GLY A 12 14.938 4.276 -8.502 1.00 0.00 C ATOM 178 C GLY A 12 16.069 4.458 -7.501 1.00 0.00 C ATOM 179 O GLY A 12 17.078 5.098 -7.796 1.00 0.00 O ATOM 0 H GLY A 12 13.541 2.716 -8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.260 4.644 -9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.088 4.885 -8.196 1.00 0.00 H new ATOM 183 N LEU A 13 15.885 3.876 -6.320 1.00 0.00 N ATOM 184 CA LEU A 13 16.857 3.925 -5.215 1.00 0.00 C ATOM 185 C LEU A 13 18.113 3.105 -5.565 1.00 0.00 C ATOM 186 O LEU A 13 19.207 3.399 -5.084 1.00 0.00 O ATOM 187 CB LEU A 13 16.168 3.417 -3.917 1.00 0.00 C ATOM 188 CG LEU A 13 14.976 4.304 -3.409 1.00 0.00 C ATOM 189 CD1 LEU A 13 14.092 3.559 -2.387 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.491 5.640 -2.830 1.00 0.00 C ATOM 0 H LEU A 13 15.044 3.346 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 13 17.188 4.951 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.801 2.406 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.916 3.353 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 13 14.348 4.525 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.281 4.211 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.676 2.664 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.694 3.274 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.647 6.237 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.160 5.440 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.030 6.188 -3.603 1.00 0.00 H new ATOM 202 N LEU A 14 17.939 2.093 -6.436 1.00 0.00 N ATOM 203 CA LEU A 14 19.042 1.254 -6.928 1.00 0.00 C ATOM 204 C LEU A 14 19.873 2.004 -7.983 1.00 0.00 C ATOM 205 O LEU A 14 21.083 1.897 -7.995 1.00 0.00 O ATOM 206 CB LEU A 14 18.498 -0.082 -7.513 1.00 0.00 C ATOM 207 CG LEU A 14 19.559 -1.126 -7.988 1.00 0.00 C ATOM 208 CD1 LEU A 14 20.487 -1.561 -6.832 1.00 0.00 C ATOM 209 CD2 LEU A 14 18.879 -2.343 -8.656 1.00 0.00 C ATOM 0 H LEU A 14 17.028 1.836 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 14 19.691 1.022 -6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.872 -0.554 -6.756 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.852 0.155 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 14 20.185 -0.642 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 14 21.211 -2.287 -7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 14 21.013 -0.690 -6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 14 19.892 -2.013 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.640 -3.054 -8.977 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.211 -2.824 -7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.305 -2.010 -9.521 1.00 0.00 H new ATOM 221 N GLU A 15 19.213 2.772 -8.856 1.00 0.00 N ATOM 222 CA GLU A 15 19.879 3.432 -10.003 1.00 0.00 C ATOM 223 C GLU A 15 20.310 4.862 -9.635 1.00 0.00 C ATOM 224 O GLU A 15 21.504 5.182 -9.620 1.00 0.00 O ATOM 225 CB GLU A 15 18.928 3.440 -11.233 1.00 0.00 C ATOM 226 CG GLU A 15 19.486 4.137 -12.495 1.00 0.00 C ATOM 227 CD GLU A 15 18.540 4.031 -13.705 1.00 0.00 C ATOM 228 OE1 GLU A 15 17.535 4.770 -13.749 1.00 0.00 O ATOM 229 OE2 GLU A 15 18.786 3.193 -14.599 1.00 0.00 O ATOM 0 H GLU A 15 18.212 2.958 -8.796 1.00 0.00 H new ATOM 0 HA GLU A 15 20.777 2.869 -10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.680 2.409 -11.487 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.997 3.931 -10.949 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.667 5.189 -12.273 1.00 0.00 H new ATOM 0 HG3 GLU A 15 20.448 3.695 -12.753 1.00 0.00 H new ATOM 236 N HIS A 16 19.314 5.701 -9.325 1.00 0.00 N ATOM 237 CA HIS A 16 19.503 7.144 -9.065 1.00 0.00 C ATOM 238 C HIS A 16 20.030 7.402 -7.643 1.00 0.00 C ATOM 239 O HIS A 16 20.730 8.392 -7.403 1.00 0.00 O ATOM 240 CB HIS A 16 18.169 7.889 -9.284 1.00 0.00 C ATOM 241 CG HIS A 16 17.640 7.785 -10.690 1.00 0.00 C ATOM 242 ND1 HIS A 16 18.085 8.590 -11.710 1.00 0.00 N ATOM 243 CD2 HIS A 16 16.729 6.947 -11.248 1.00 0.00 C ATOM 244 CE1 HIS A 16 17.484 8.253 -12.833 1.00 0.00 C ATOM 245 NE2 HIS A 16 16.653 7.259 -12.583 1.00 0.00 N ATOM 0 H HIS A 16 18.343 5.400 -9.245 1.00 0.00 H new ATOM 0 HA HIS A 16 20.251 7.519 -9.764 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.424 7.491 -8.595 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.306 8.941 -9.034 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.169 6.178 -10.737 1.00 0.00 H new ATOM 0 HE1 HIS A 16 17.645 8.713 -13.797 1.00 0.00 H new ATOM 0 HE2 HIS A 16 16.054 6.799 -13.268 1.00 0.00 H new ATOM 254 N GLY A 17 19.679 6.504 -6.708 1.00 0.00 N ATOM 255 CA GLY A 17 20.129 6.605 -5.314 1.00 0.00 C ATOM 256 C GLY A 17 19.070 7.178 -4.389 1.00 0.00 C ATOM 257 O GLY A 17 17.880 7.108 -4.687 1.00 0.00 O ATOM 0 H GLY A 17 19.083 5.698 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.417 5.616 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.020 7.232 -5.270 1.00 0.00 H new ATOM 261 N ARG A 18 19.504 7.770 -3.263 1.00 0.00 N ATOM 262 CA ARG A 18 18.600 8.313 -2.225 1.00 0.00 C ATOM 263 C ARG A 18 18.212 9.781 -2.497 1.00 0.00 C ATOM 264 O ARG A 18 17.781 10.485 -1.582 1.00 0.00 O ATOM 265 CB ARG A 18 19.275 8.194 -0.837 1.00 0.00 C ATOM 266 CG ARG A 18 19.538 6.750 -0.375 1.00 0.00 C ATOM 267 CD ARG A 18 20.111 6.676 1.049 1.00 0.00 C ATOM 268 NE ARG A 18 19.246 7.366 2.028 1.00 0.00 N ATOM 269 CZ ARG A 18 19.016 6.967 3.289 1.00 0.00 C ATOM 270 NH1 ARG A 18 19.543 5.848 3.763 1.00 0.00 N ATOM 271 NH2 ARG A 18 18.252 7.702 4.084 1.00 0.00 N ATOM 0 H ARG A 18 20.493 7.887 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 18 17.681 7.727 -2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.223 8.732 -0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.646 8.689 -0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.607 6.185 -0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.232 6.273 -1.067 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.227 5.632 1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 18 21.105 7.123 1.064 1.00 0.00 H new ATOM 0 HE ARG A 18 18.783 8.221 1.719 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.136 5.271 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.355 5.563 4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.840 8.568 3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.076 7.401 5.043 1.00 0.00 H new ATOM 285 N ASN A 19 18.369 10.234 -3.748 1.00 0.00 N ATOM 286 CA ASN A 19 17.982 11.591 -4.157 1.00 0.00 C ATOM 287 C ASN A 19 16.451 11.657 -4.258 1.00 0.00 C ATOM 288 O ASN A 19 15.883 11.408 -5.322 1.00 0.00 O ATOM 289 CB ASN A 19 18.666 11.966 -5.501 1.00 0.00 C ATOM 290 CG ASN A 19 20.197 11.872 -5.435 1.00 0.00 C ATOM 291 OD1 ASN A 19 20.883 12.845 -5.111 1.00 0.00 O ATOM 292 ND2 ASN A 19 20.744 10.698 -5.737 1.00 0.00 N ATOM 0 H ASN A 19 18.766 9.673 -4.502 1.00 0.00 H new ATOM 0 HA ASN A 19 18.315 12.317 -3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.299 11.306 -6.287 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.380 12.981 -5.778 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.757 10.584 -5.704 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.150 9.912 -6.001 1.00 0.00 H new ATOM 299 N TRP A 20 15.801 11.966 -3.116 1.00 0.00 N ATOM 300 CA TRP A 20 14.342 11.845 -2.944 1.00 0.00 C ATOM 301 C TRP A 20 13.566 12.731 -3.942 1.00 0.00 C ATOM 302 O TRP A 20 12.434 12.413 -4.292 1.00 0.00 O ATOM 303 CB TRP A 20 13.933 12.211 -1.492 1.00 0.00 C ATOM 304 CG TRP A 20 14.747 11.527 -0.403 1.00 0.00 C ATOM 305 CD1 TRP A 20 15.615 12.126 0.478 1.00 0.00 C ATOM 306 CD2 TRP A 20 14.785 10.121 -0.092 1.00 0.00 C ATOM 307 NE1 TRP A 20 16.166 11.189 1.312 1.00 0.00 N ATOM 308 CE2 TRP A 20 15.682 9.953 0.981 1.00 0.00 C ATOM 309 CE3 TRP A 20 14.149 8.986 -0.613 1.00 0.00 C ATOM 310 CZ2 TRP A 20 15.958 8.709 1.540 1.00 0.00 C ATOM 311 CZ3 TRP A 20 14.428 7.749 -0.053 1.00 0.00 C ATOM 312 CH2 TRP A 20 15.329 7.621 1.009 1.00 0.00 C ATOM 0 H TRP A 20 16.280 12.309 -2.283 1.00 0.00 H new ATOM 0 HA TRP A 20 14.081 10.806 -3.145 1.00 0.00 H new ATOM 0 HB2 TRP A 20 14.021 13.290 -1.367 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.882 11.958 -1.352 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.832 13.184 0.509 1.00 0.00 H new ATOM 0 HE1 TRP A 20 16.831 11.382 2.061 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.454 9.073 -1.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.647 8.608 2.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.941 6.868 -0.444 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.531 6.642 1.417 1.00 0.00 H new ATOM 323 N SER A 21 14.184 13.845 -4.383 1.00 0.00 N ATOM 324 CA SER A 21 13.593 14.757 -5.382 1.00 0.00 C ATOM 325 C SER A 21 13.484 14.065 -6.758 1.00 0.00 C ATOM 326 O SER A 21 12.500 14.252 -7.488 1.00 0.00 O ATOM 327 CB SER A 21 14.442 16.045 -5.480 1.00 0.00 C ATOM 328 OG SER A 21 13.880 17.003 -6.363 1.00 0.00 O ATOM 0 H SER A 21 15.105 14.137 -4.057 1.00 0.00 H new ATOM 0 HA SER A 21 12.585 15.024 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.543 16.486 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 21 15.446 15.789 -5.819 1.00 0.00 H new ATOM 0 HG SER A 21 14.452 17.799 -6.389 1.00 0.00 H new ATOM 334 N ALA A 22 14.502 13.259 -7.094 1.00 0.00 N ATOM 335 CA ALA A 22 14.539 12.504 -8.359 1.00 0.00 C ATOM 336 C ALA A 22 13.580 11.301 -8.302 1.00 0.00 C ATOM 337 O ALA A 22 12.798 11.072 -9.240 1.00 0.00 O ATOM 338 CB ALA A 22 15.972 12.040 -8.667 1.00 0.00 C ATOM 0 H ALA A 22 15.319 13.111 -6.502 1.00 0.00 H new ATOM 0 HA ALA A 22 14.211 13.164 -9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.981 11.484 -9.605 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.625 12.908 -8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.328 11.398 -7.861 1.00 0.00 H new ATOM 344 N ILE A 23 13.621 10.567 -7.167 1.00 0.00 N ATOM 345 CA ILE A 23 12.861 9.312 -6.997 1.00 0.00 C ATOM 346 C ILE A 23 11.360 9.607 -6.966 1.00 0.00 C ATOM 347 O ILE A 23 10.602 9.050 -7.738 1.00 0.00 O ATOM 348 CB ILE A 23 13.263 8.524 -5.689 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.812 8.396 -5.570 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.595 7.118 -5.663 1.00 0.00 C ATOM 351 CD1 ILE A 23 15.480 7.765 -6.766 1.00 0.00 C ATOM 0 H ILE A 23 14.177 10.826 -6.352 1.00 0.00 H new ATOM 0 HA ILE A 23 13.107 8.680 -7.850 1.00 0.00 H new ATOM 0 HB ILE A 23 12.901 9.091 -4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.235 9.388 -5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.048 7.806 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.886 6.594 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.511 7.230 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.919 6.545 -6.532 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.556 7.716 -6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.089 6.758 -6.912 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.279 8.365 -7.654 1.00 0.00 H new ATOM 363 N ALA A 24 10.961 10.534 -6.096 1.00 0.00 N ATOM 364 CA ALA A 24 9.542 10.870 -5.849 1.00 0.00 C ATOM 365 C ALA A 24 8.862 11.560 -7.045 1.00 0.00 C ATOM 366 O ALA A 24 7.632 11.583 -7.122 1.00 0.00 O ATOM 367 CB ALA A 24 9.427 11.753 -4.621 1.00 0.00 C ATOM 0 H ALA A 24 11.612 11.083 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 24 9.022 9.925 -5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.379 11.997 -4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.827 11.226 -3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.992 12.672 -4.779 1.00 0.00 H new ATOM 373 N ARG A 25 9.658 12.179 -7.928 1.00 0.00 N ATOM 374 CA ARG A 25 9.146 12.816 -9.161 1.00 0.00 C ATOM 375 C ARG A 25 8.918 11.751 -10.251 1.00 0.00 C ATOM 376 O ARG A 25 8.008 11.873 -11.075 1.00 0.00 O ATOM 377 CB ARG A 25 10.136 13.911 -9.642 1.00 0.00 C ATOM 378 CG ARG A 25 9.647 14.764 -10.830 1.00 0.00 C ATOM 379 CD ARG A 25 10.607 15.922 -11.138 1.00 0.00 C ATOM 380 NE ARG A 25 10.135 16.770 -12.250 1.00 0.00 N ATOM 381 CZ ARG A 25 10.335 18.099 -12.353 1.00 0.00 C ATOM 382 NH1 ARG A 25 10.961 18.774 -11.395 1.00 0.00 N ATOM 383 NH2 ARG A 25 9.898 18.749 -13.418 1.00 0.00 N ATOM 0 H ARG A 25 10.669 12.255 -7.814 1.00 0.00 H new ATOM 0 HA ARG A 25 8.189 13.293 -8.951 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.354 14.574 -8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.074 13.432 -9.922 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.545 14.132 -11.713 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.657 15.163 -10.607 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.729 16.535 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.589 15.519 -11.385 1.00 0.00 H new ATOM 0 HE ARG A 25 9.616 16.314 -13.000 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.299 18.287 -10.565 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.104 19.780 -11.489 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.411 18.245 -14.159 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.048 19.755 -13.499 1.00 0.00 H new ATOM 397 N MET A 26 9.772 10.714 -10.249 1.00 0.00 N ATOM 398 CA MET A 26 9.691 9.588 -11.202 1.00 0.00 C ATOM 399 C MET A 26 8.579 8.593 -10.807 1.00 0.00 C ATOM 400 O MET A 26 7.641 8.354 -11.567 1.00 0.00 O ATOM 401 CB MET A 26 11.072 8.881 -11.257 1.00 0.00 C ATOM 402 CG MET A 26 11.156 7.660 -12.185 1.00 0.00 C ATOM 403 SD MET A 26 12.820 6.958 -12.268 1.00 0.00 S ATOM 404 CE MET A 26 13.105 6.518 -10.557 1.00 0.00 C ATOM 0 H MET A 26 10.542 10.630 -9.585 1.00 0.00 H new ATOM 0 HA MET A 26 9.436 9.973 -12.189 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.820 9.608 -11.574 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.340 8.567 -10.248 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.461 6.896 -11.837 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.837 7.948 -13.187 1.00 0.00 H new ATOM 0 HE1 MET A 26 14.064 6.009 -10.467 1.00 0.00 H new ATOM 0 HE2 MET A 26 13.115 7.421 -9.946 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.309 5.856 -10.214 1.00 0.00 H new ATOM 414 N VAL A 27 8.703 8.035 -9.594 1.00 0.00 N ATOM 415 CA VAL A 27 7.861 6.929 -9.100 1.00 0.00 C ATOM 416 C VAL A 27 6.549 7.451 -8.471 1.00 0.00 C ATOM 417 O VAL A 27 5.478 6.878 -8.693 1.00 0.00 O ATOM 418 CB VAL A 27 8.663 6.004 -8.085 1.00 0.00 C ATOM 419 CG1 VAL A 27 10.058 5.662 -8.658 1.00 0.00 C ATOM 420 CG2 VAL A 27 8.818 6.615 -6.664 1.00 0.00 C ATOM 0 H VAL A 27 9.401 8.342 -8.916 1.00 0.00 H new ATOM 0 HA VAL A 27 7.587 6.317 -9.959 1.00 0.00 H new ATOM 0 HB VAL A 27 8.066 5.099 -7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.596 5.028 -7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.943 5.135 -9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.620 6.582 -8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.376 5.925 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.355 7.561 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.832 6.788 -6.233 1.00 0.00 H new ATOM 430 N GLY A 28 6.664 8.539 -7.680 1.00 0.00 N ATOM 431 CA GLY A 28 5.521 9.170 -7.019 1.00 0.00 C ATOM 432 C GLY A 28 4.769 10.109 -7.946 1.00 0.00 C ATOM 433 O GLY A 28 3.533 10.177 -7.911 1.00 0.00 O ATOM 0 H GLY A 28 7.554 8.998 -7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.842 8.398 -6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.868 9.724 -6.147 1.00 0.00 H new ATOM 437 N SER A 29 5.560 10.855 -8.760 1.00 0.00 N ATOM 438 CA SER A 29 5.074 11.860 -9.733 1.00 0.00 C ATOM 439 C SER A 29 4.392 13.064 -9.034 1.00 0.00 C ATOM 440 O SER A 29 3.802 13.923 -9.699 1.00 0.00 O ATOM 441 CB SER A 29 4.157 11.178 -10.787 1.00 0.00 C ATOM 442 OG SER A 29 3.811 12.048 -11.847 1.00 0.00 O ATOM 0 H SER A 29 6.576 10.770 -8.755 1.00 0.00 H new ATOM 0 HA SER A 29 5.933 12.277 -10.259 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.663 10.301 -11.191 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.248 10.825 -10.299 1.00 0.00 H new ATOM 0 HG SER A 29 3.784 12.971 -11.517 1.00 0.00 H new ATOM 448 N LYS A 30 4.512 13.160 -7.683 1.00 0.00 N ATOM 449 CA LYS A 30 3.779 14.164 -6.885 1.00 0.00 C ATOM 450 C LYS A 30 4.701 14.869 -5.868 1.00 0.00 C ATOM 451 O LYS A 30 5.171 15.987 -6.123 1.00 0.00 O ATOM 452 CB LYS A 30 2.556 13.512 -6.165 1.00 0.00 C ATOM 453 CG LYS A 30 1.522 12.849 -7.110 1.00 0.00 C ATOM 454 CD LYS A 30 0.291 12.281 -6.368 1.00 0.00 C ATOM 455 CE LYS A 30 -0.552 13.373 -5.676 1.00 0.00 C ATOM 456 NZ LYS A 30 -1.755 12.808 -5.022 1.00 0.00 N ATOM 0 H LYS A 30 5.112 12.550 -7.128 1.00 0.00 H new ATOM 0 HA LYS A 30 3.410 14.924 -7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.922 12.760 -5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.050 14.276 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.188 13.583 -7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.008 12.044 -7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.336 11.740 -7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.624 11.559 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.058 13.887 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.854 14.119 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.295 13.572 -4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.350 12.340 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.466 12.115 -4.303 1.00 0.00 H new ATOM 470 N THR A 31 5.002 14.191 -4.740 1.00 0.00 N ATOM 471 CA THR A 31 5.598 14.834 -3.547 1.00 0.00 C ATOM 472 C THR A 31 6.899 14.131 -3.121 1.00 0.00 C ATOM 473 O THR A 31 6.943 12.903 -3.100 1.00 0.00 O ATOM 474 CB THR A 31 4.570 14.795 -2.366 1.00 0.00 C ATOM 475 OG1 THR A 31 3.296 15.277 -2.828 1.00 0.00 O ATOM 476 CG2 THR A 31 5.025 15.630 -1.154 1.00 0.00 C ATOM 0 H THR A 31 4.841 13.190 -4.630 1.00 0.00 H new ATOM 0 HA THR A 31 5.839 15.866 -3.801 1.00 0.00 H new ATOM 0 HB THR A 31 4.494 13.759 -2.035 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.650 15.252 -2.091 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.275 15.567 -0.366 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.975 15.245 -0.783 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.148 16.670 -1.455 1.00 0.00 H new ATOM 484 N VAL A 32 7.940 14.919 -2.770 1.00 0.00 N ATOM 485 CA VAL A 32 9.233 14.395 -2.250 1.00 0.00 C ATOM 486 C VAL A 32 9.028 13.604 -0.941 1.00 0.00 C ATOM 487 O VAL A 32 9.623 12.527 -0.754 1.00 0.00 O ATOM 488 CB VAL A 32 10.283 15.544 -2.028 1.00 0.00 C ATOM 489 CG1 VAL A 32 11.609 15.029 -1.398 1.00 0.00 C ATOM 490 CG2 VAL A 32 10.560 16.294 -3.351 1.00 0.00 C ATOM 0 H VAL A 32 7.912 15.936 -2.837 1.00 0.00 H new ATOM 0 HA VAL A 32 9.628 13.719 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 32 9.844 16.240 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.298 15.864 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.399 14.576 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.060 14.286 -2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.289 17.085 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.953 15.596 -4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.633 16.731 -3.722 1.00 0.00 H new ATOM 500 N SER A 33 8.147 14.144 -0.072 1.00 0.00 N ATOM 501 CA SER A 33 7.783 13.536 1.223 1.00 0.00 C ATOM 502 C SER A 33 7.210 12.113 1.049 1.00 0.00 C ATOM 503 O SER A 33 7.367 11.283 1.931 1.00 0.00 O ATOM 504 CB SER A 33 6.748 14.426 1.950 1.00 0.00 C ATOM 505 OG SER A 33 7.224 15.753 2.113 1.00 0.00 O ATOM 0 H SER A 33 7.664 15.024 -0.253 1.00 0.00 H new ATOM 0 HA SER A 33 8.693 13.461 1.819 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.817 14.440 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.521 13.998 2.926 1.00 0.00 H new ATOM 0 HG SER A 33 6.546 16.290 2.574 1.00 0.00 H new ATOM 511 N GLN A 34 6.573 11.848 -0.109 1.00 0.00 N ATOM 512 CA GLN A 34 5.944 10.545 -0.416 1.00 0.00 C ATOM 513 C GLN A 34 6.992 9.403 -0.439 1.00 0.00 C ATOM 514 O GLN A 34 6.807 8.358 0.202 1.00 0.00 O ATOM 515 CB GLN A 34 5.209 10.646 -1.778 1.00 0.00 C ATOM 516 CG GLN A 34 4.379 9.414 -2.185 1.00 0.00 C ATOM 517 CD GLN A 34 3.765 9.515 -3.590 1.00 0.00 C ATOM 518 OE1 GLN A 34 3.477 10.608 -4.091 1.00 0.00 O ATOM 519 NE2 GLN A 34 3.551 8.371 -4.236 1.00 0.00 N ATOM 0 H GLN A 34 6.479 12.532 -0.860 1.00 0.00 H new ATOM 0 HA GLN A 34 5.226 10.305 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.548 11.512 -1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.949 10.835 -2.556 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.014 8.529 -2.139 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.579 9.271 -1.459 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.799 7.484 -3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.139 8.382 -5.169 1.00 0.00 H new ATOM 528 N CYS A 35 8.104 9.636 -1.171 1.00 0.00 N ATOM 529 CA CYS A 35 9.217 8.661 -1.285 1.00 0.00 C ATOM 530 C CYS A 35 10.027 8.591 0.016 1.00 0.00 C ATOM 531 O CYS A 35 10.671 7.575 0.304 1.00 0.00 O ATOM 532 CB CYS A 35 10.149 9.000 -2.460 1.00 0.00 C ATOM 533 SG CYS A 35 11.535 7.858 -2.666 1.00 0.00 S ATOM 0 H CYS A 35 8.257 10.497 -1.696 1.00 0.00 H new ATOM 0 HA CYS A 35 8.767 7.686 -1.473 1.00 0.00 H new ATOM 0 HB2 CYS A 35 9.564 9.013 -3.380 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.541 10.007 -2.318 1.00 0.00 H new ATOM 0 HG CYS A 35 11.773 7.257 -1.538 1.00 0.00 H new ATOM 539 N LYS A 36 10.022 9.690 0.783 1.00 0.00 N ATOM 540 CA LYS A 36 10.608 9.699 2.128 1.00 0.00 C ATOM 541 C LYS A 36 9.819 8.775 3.060 1.00 0.00 C ATOM 542 O LYS A 36 10.404 8.037 3.850 1.00 0.00 O ATOM 543 CB LYS A 36 10.640 11.116 2.727 1.00 0.00 C ATOM 544 CG LYS A 36 11.631 12.096 2.060 1.00 0.00 C ATOM 545 CD LYS A 36 11.928 13.309 2.966 1.00 0.00 C ATOM 546 CE LYS A 36 12.490 12.864 4.334 1.00 0.00 C ATOM 547 NZ LYS A 36 12.826 14.013 5.214 1.00 0.00 N ATOM 0 H LYS A 36 9.619 10.582 0.495 1.00 0.00 H new ATOM 0 HA LYS A 36 11.634 9.342 2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.638 11.541 2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.889 11.039 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.561 11.575 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.219 12.442 1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.644 13.967 2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.015 13.886 3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.758 12.230 4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.382 12.258 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.199 13.660 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.544 14.606 4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.971 14.578 5.389 1.00 0.00 H new ATOM 561 N ASN A 37 8.479 8.823 2.946 1.00 0.00 N ATOM 562 CA ASN A 37 7.583 8.028 3.800 1.00 0.00 C ATOM 563 C ASN A 37 7.748 6.523 3.502 1.00 0.00 C ATOM 564 O ASN A 37 7.574 5.699 4.395 1.00 0.00 O ATOM 565 CB ASN A 37 6.099 8.454 3.618 1.00 0.00 C ATOM 566 CG ASN A 37 5.811 9.888 4.075 1.00 0.00 C ATOM 567 OD1 ASN A 37 6.424 10.402 5.018 1.00 0.00 O ATOM 568 ND2 ASN A 37 4.895 10.559 3.394 1.00 0.00 N ATOM 0 H ASN A 37 7.993 9.408 2.266 1.00 0.00 H new ATOM 0 HA ASN A 37 7.861 8.215 4.837 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.828 8.355 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.462 7.769 4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.680 11.525 3.643 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.404 10.110 2.620 1.00 0.00 H new ATOM 575 N PHE A 38 8.106 6.190 2.235 1.00 0.00 N ATOM 576 CA PHE A 38 8.476 4.808 1.806 1.00 0.00 C ATOM 577 C PHE A 38 9.538 4.219 2.755 1.00 0.00 C ATOM 578 O PHE A 38 9.426 3.078 3.219 1.00 0.00 O ATOM 579 CB PHE A 38 9.049 4.857 0.364 1.00 0.00 C ATOM 580 CG PHE A 38 9.448 3.506 -0.250 1.00 0.00 C ATOM 581 CD1 PHE A 38 8.509 2.720 -0.908 1.00 0.00 C ATOM 582 CD2 PHE A 38 10.763 3.028 -0.184 1.00 0.00 C ATOM 583 CE1 PHE A 38 8.858 1.513 -1.483 1.00 0.00 C ATOM 584 CE2 PHE A 38 11.113 1.816 -0.756 1.00 0.00 C ATOM 585 CZ PHE A 38 10.158 1.059 -1.407 1.00 0.00 C ATOM 0 H PHE A 38 8.148 6.871 1.477 1.00 0.00 H new ATOM 0 HA PHE A 38 7.587 4.178 1.834 1.00 0.00 H new ATOM 0 HB2 PHE A 38 8.307 5.323 -0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.925 5.506 0.364 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.486 3.060 -0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 38 11.516 3.614 0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.111 0.924 -1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.132 1.463 -0.693 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.429 0.114 -1.855 1.00 0.00 H new ATOM 595 N TYR A 39 10.535 5.066 3.057 1.00 0.00 N ATOM 596 CA TYR A 39 11.739 4.697 3.813 1.00 0.00 C ATOM 597 C TYR A 39 11.415 4.290 5.265 1.00 0.00 C ATOM 598 O TYR A 39 12.087 3.431 5.842 1.00 0.00 O ATOM 599 CB TYR A 39 12.723 5.897 3.798 1.00 0.00 C ATOM 600 CG TYR A 39 14.115 5.580 4.338 1.00 0.00 C ATOM 601 CD1 TYR A 39 15.032 4.909 3.541 1.00 0.00 C ATOM 602 CD2 TYR A 39 14.513 5.932 5.635 1.00 0.00 C ATOM 603 CE1 TYR A 39 16.288 4.598 4.004 1.00 0.00 C ATOM 604 CE2 TYR A 39 15.776 5.624 6.105 1.00 0.00 C ATOM 605 CZ TYR A 39 16.662 4.951 5.285 1.00 0.00 C ATOM 606 OH TYR A 39 17.929 4.640 5.745 1.00 0.00 O ATOM 0 H TYR A 39 10.525 6.046 2.776 1.00 0.00 H new ATOM 0 HA TYR A 39 12.191 3.827 3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.818 6.260 2.775 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.295 6.709 4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.753 4.626 2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.820 6.453 6.279 1.00 0.00 H new ATOM 0 HE1 TYR A 39 16.984 4.076 3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.068 5.907 7.105 1.00 0.00 H new ATOM 0 HH TYR A 39 18.030 4.960 6.666 1.00 0.00 H new ATOM 616 N PHE A 40 10.386 4.929 5.847 1.00 0.00 N ATOM 617 CA PHE A 40 10.032 4.756 7.272 1.00 0.00 C ATOM 618 C PHE A 40 8.874 3.759 7.460 1.00 0.00 C ATOM 619 O PHE A 40 8.864 2.997 8.431 1.00 0.00 O ATOM 620 CB PHE A 40 9.678 6.132 7.900 1.00 0.00 C ATOM 621 CG PHE A 40 10.849 7.107 7.932 1.00 0.00 C ATOM 622 CD1 PHE A 40 11.146 7.908 6.835 1.00 0.00 C ATOM 623 CD2 PHE A 40 11.684 7.185 9.045 1.00 0.00 C ATOM 624 CE1 PHE A 40 12.221 8.775 6.852 1.00 0.00 C ATOM 625 CE2 PHE A 40 12.764 8.047 9.062 1.00 0.00 C ATOM 626 CZ PHE A 40 13.039 8.836 7.962 1.00 0.00 C ATOM 0 H PHE A 40 9.777 5.578 5.348 1.00 0.00 H new ATOM 0 HA PHE A 40 10.899 4.340 7.784 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.859 6.579 7.337 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.318 5.976 8.917 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.525 7.851 5.953 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.484 6.564 9.906 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.421 9.405 5.998 1.00 0.00 H new ATOM 0 HE2 PHE A 40 13.394 8.104 9.937 1.00 0.00 H new ATOM 0 HZ PHE A 40 13.892 9.499 7.971 1.00 0.00 H new ATOM 770 N LEU A 48 17.334 -0.701 2.774 1.00 0.00 N ATOM 771 CA LEU A 48 17.694 0.240 1.701 1.00 0.00 C ATOM 772 C LEU A 48 19.220 0.457 1.633 1.00 0.00 C ATOM 773 O LEU A 48 19.778 0.718 0.559 1.00 0.00 O ATOM 774 CB LEU A 48 16.896 1.562 1.941 1.00 0.00 C ATOM 775 CG LEU A 48 16.955 2.698 0.864 1.00 0.00 C ATOM 776 CD1 LEU A 48 18.192 3.594 1.023 1.00 0.00 C ATOM 777 CD2 LEU A 48 16.856 2.124 -0.553 1.00 0.00 C ATOM 0 HA LEU A 48 17.422 -0.164 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.849 1.293 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 48 17.240 1.986 2.884 1.00 0.00 H new ATOM 0 HG LEU A 48 16.087 3.336 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.185 4.365 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.177 4.064 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.094 2.990 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.900 2.936 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.685 1.438 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.913 1.589 -0.664 1.00 0.00 H new ATOM 789 N ASP A 49 19.880 0.292 2.784 1.00 0.00 N ATOM 790 CA ASP A 49 21.333 0.469 2.910 1.00 0.00 C ATOM 791 C ASP A 49 22.104 -0.583 2.075 1.00 0.00 C ATOM 792 O ASP A 49 23.180 -0.288 1.545 1.00 0.00 O ATOM 793 CB ASP A 49 21.727 0.401 4.402 1.00 0.00 C ATOM 794 CG ASP A 49 23.213 0.732 4.660 1.00 0.00 C ATOM 795 OD1 ASP A 49 23.597 1.917 4.560 1.00 0.00 O ATOM 796 OD2 ASP A 49 23.994 -0.186 4.972 1.00 0.00 O ATOM 0 H ASP A 49 19.422 0.031 3.657 1.00 0.00 H new ATOM 0 HA ASP A 49 21.607 1.447 2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 49 21.105 1.095 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 49 21.514 -0.599 4.781 1.00 0.00 H new ATOM 801 N GLU A 50 21.521 -1.795 1.946 1.00 0.00 N ATOM 802 CA GLU A 50 22.098 -2.885 1.134 1.00 0.00 C ATOM 803 C GLU A 50 21.905 -2.593 -0.363 1.00 0.00 C ATOM 804 O GLU A 50 22.800 -2.850 -1.157 1.00 0.00 O ATOM 805 CB GLU A 50 21.463 -4.254 1.489 1.00 0.00 C ATOM 806 CG GLU A 50 22.139 -5.472 0.819 1.00 0.00 C ATOM 807 CD GLU A 50 21.443 -6.810 1.132 1.00 0.00 C ATOM 808 OE1 GLU A 50 20.441 -7.137 0.466 1.00 0.00 O ATOM 809 OE2 GLU A 50 21.894 -7.542 2.043 1.00 0.00 O ATOM 0 H GLU A 50 20.642 -2.043 2.400 1.00 0.00 H new ATOM 0 HA GLU A 50 23.163 -2.937 1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 50 21.497 -4.386 2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 50 20.411 -4.236 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 50 22.152 -5.322 -0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 50 23.177 -5.527 1.146 1.00 0.00 H new ATOM 816 N ILE A 51 20.729 -2.042 -0.727 1.00 0.00 N ATOM 817 CA ILE A 51 20.393 -1.686 -2.129 1.00 0.00 C ATOM 818 C ILE A 51 21.441 -0.701 -2.706 1.00 0.00 C ATOM 819 O ILE A 51 21.967 -0.899 -3.813 1.00 0.00 O ATOM 820 CB ILE A 51 18.948 -1.048 -2.212 1.00 0.00 C ATOM 821 CG1 ILE A 51 17.873 -2.023 -1.628 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.580 -0.625 -3.655 1.00 0.00 C ATOM 823 CD1 ILE A 51 16.444 -1.473 -1.586 1.00 0.00 C ATOM 0 H ILE A 51 19.985 -1.830 -0.063 1.00 0.00 H new ATOM 0 HA ILE A 51 20.406 -2.600 -2.723 1.00 0.00 H new ATOM 0 HB ILE A 51 18.962 -0.143 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.875 -2.937 -2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.168 -2.299 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.580 -0.192 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.298 0.114 -4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 51 18.603 -1.498 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.777 -2.225 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.417 -0.577 -0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.120 -1.225 -2.597 1.00 0.00 H new ATOM 835 N LEU A 52 21.756 0.328 -1.913 1.00 0.00 N ATOM 836 CA LEU A 52 22.757 1.349 -2.275 1.00 0.00 C ATOM 837 C LEU A 52 24.192 0.790 -2.208 1.00 0.00 C ATOM 838 O LEU A 52 25.060 1.222 -2.977 1.00 0.00 O ATOM 839 CB LEU A 52 22.601 2.603 -1.361 1.00 0.00 C ATOM 840 CG LEU A 52 21.584 3.685 -1.834 1.00 0.00 C ATOM 841 CD1 LEU A 52 22.071 4.359 -3.124 1.00 0.00 C ATOM 842 CD2 LEU A 52 20.167 3.108 -2.005 1.00 0.00 C ATOM 0 H LEU A 52 21.327 0.481 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 52 22.577 1.645 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 52 22.304 2.267 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 52 23.578 3.075 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 52 21.524 4.444 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 52 21.347 5.111 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 52 23.034 4.836 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.178 3.609 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 52 19.491 3.896 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 52 20.186 2.311 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 52 19.820 2.708 -1.052 1.00 0.00 H new ATOM 854 N GLN A 53 24.433 -0.174 -1.293 1.00 0.00 N ATOM 855 CA GLN A 53 25.757 -0.817 -1.135 1.00 0.00 C ATOM 856 C GLN A 53 26.118 -1.621 -2.383 1.00 0.00 C ATOM 857 O GLN A 53 27.211 -1.464 -2.935 1.00 0.00 O ATOM 858 CB GLN A 53 25.790 -1.736 0.111 1.00 0.00 C ATOM 859 CG GLN A 53 27.145 -2.437 0.372 1.00 0.00 C ATOM 860 CD GLN A 53 28.319 -1.459 0.548 1.00 0.00 C ATOM 861 OE1 GLN A 53 28.597 -0.993 1.650 1.00 0.00 O ATOM 862 NE2 GLN A 53 29.025 -1.160 -0.538 1.00 0.00 N ATOM 0 H GLN A 53 23.724 -0.526 -0.649 1.00 0.00 H new ATOM 0 HA GLN A 53 26.493 -0.025 -0.997 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.530 -1.143 0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 53 25.019 -2.499 0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.059 -3.054 1.267 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.363 -3.108 -0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.769 -1.563 -1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.822 -0.528 -0.470 1.00 0.00 H new ATOM 871 N GLN A 54 25.168 -2.464 -2.818 1.00 0.00 N ATOM 872 CA GLN A 54 25.340 -3.330 -3.990 1.00 0.00 C ATOM 873 C GLN A 54 25.578 -2.472 -5.234 1.00 0.00 C ATOM 874 O GLN A 54 26.554 -2.681 -5.938 1.00 0.00 O ATOM 875 CB GLN A 54 24.121 -4.268 -4.185 1.00 0.00 C ATOM 876 CG GLN A 54 23.833 -5.196 -2.984 1.00 0.00 C ATOM 877 CD GLN A 54 25.016 -6.086 -2.573 1.00 0.00 C ATOM 878 OE1 GLN A 54 25.838 -6.488 -3.400 1.00 0.00 O ATOM 879 NE2 GLN A 54 25.101 -6.408 -1.292 1.00 0.00 N ATOM 0 H GLN A 54 24.259 -2.563 -2.365 1.00 0.00 H new ATOM 0 HA GLN A 54 26.210 -3.965 -3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 54 23.237 -3.660 -4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.287 -4.881 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 54 23.540 -4.585 -2.130 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.982 -5.833 -3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.406 -6.060 -0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.862 -7.004 -0.965 1.00 0.00 H new ATOM 888 N HIS A 55 24.717 -1.449 -5.431 1.00 0.00 N ATOM 889 CA HIS A 55 24.852 -0.483 -6.541 1.00 0.00 C ATOM 890 C HIS A 55 26.259 0.149 -6.569 1.00 0.00 C ATOM 891 O HIS A 55 26.883 0.216 -7.629 1.00 0.00 O ATOM 892 CB HIS A 55 23.785 0.628 -6.430 1.00 0.00 C ATOM 893 CG HIS A 55 23.935 1.726 -7.458 1.00 0.00 C ATOM 894 ND1 HIS A 55 24.058 3.060 -7.129 1.00 0.00 N ATOM 895 CD2 HIS A 55 23.952 1.679 -8.819 1.00 0.00 C ATOM 896 CE1 HIS A 55 24.141 3.780 -8.234 1.00 0.00 C ATOM 897 NE2 HIS A 55 24.080 2.967 -9.272 1.00 0.00 N ATOM 0 H HIS A 55 23.914 -1.271 -4.828 1.00 0.00 H new ATOM 0 HA HIS A 55 24.702 -1.032 -7.471 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.796 0.180 -6.532 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.834 1.067 -5.434 1.00 0.00 H new ATOM 0 HD2 HIS A 55 23.878 0.791 -9.429 1.00 0.00 H new ATOM 0 HE1 HIS A 55 24.242 4.854 -8.280 1.00 0.00 H new ATOM 0 HE2 HIS A 55 24.121 3.250 -10.251 1.00 0.00 H new ATOM 906 N LYS A 56 26.743 0.576 -5.388 1.00 0.00 N ATOM 907 CA LYS A 56 28.048 1.241 -5.255 1.00 0.00 C ATOM 908 C LYS A 56 29.183 0.321 -5.746 1.00 0.00 C ATOM 909 O LYS A 56 29.902 0.676 -6.681 1.00 0.00 O ATOM 910 CB LYS A 56 28.315 1.676 -3.787 1.00 0.00 C ATOM 911 CG LYS A 56 29.709 2.317 -3.578 1.00 0.00 C ATOM 912 CD LYS A 56 30.018 2.666 -2.109 1.00 0.00 C ATOM 913 CE LYS A 56 31.461 3.179 -1.933 1.00 0.00 C ATOM 914 NZ LYS A 56 31.793 3.447 -0.514 1.00 0.00 N ATOM 0 H LYS A 56 26.242 0.470 -4.506 1.00 0.00 H new ATOM 0 HA LYS A 56 28.024 2.135 -5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 56 27.547 2.387 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 56 28.222 0.807 -3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 56 30.473 1.633 -3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 56 29.776 3.224 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 56 29.318 3.425 -1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 56 29.868 1.784 -1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.158 2.443 -2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 56 31.593 4.092 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.773 3.790 -0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 31.146 4.169 -0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.693 2.571 0.037 1.00 0.00 H new ATOM 928 N LEU A 57 29.286 -0.880 -5.139 1.00 0.00 N ATOM 929 CA LEU A 57 30.400 -1.815 -5.398 1.00 0.00 C ATOM 930 C LEU A 57 30.343 -2.390 -6.824 1.00 0.00 C ATOM 931 O LEU A 57 31.386 -2.673 -7.403 1.00 0.00 O ATOM 932 CB LEU A 57 30.459 -2.925 -4.295 1.00 0.00 C ATOM 933 CG LEU A 57 29.193 -3.835 -4.070 1.00 0.00 C ATOM 934 CD1 LEU A 57 29.109 -5.002 -5.077 1.00 0.00 C ATOM 935 CD2 LEU A 57 29.128 -4.351 -2.610 1.00 0.00 C ATOM 0 H LEU A 57 28.606 -1.226 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 57 31.335 -1.257 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 57 31.299 -3.579 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.689 -2.438 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 57 28.322 -3.205 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 57 28.217 -5.595 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 57 29.057 -4.605 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 57 29.993 -5.632 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 57 28.244 -4.976 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 57 30.021 -4.937 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 57 29.073 -3.504 -1.927 1.00 0.00 H new ATOM 947 N LYS A 58 29.122 -2.523 -7.386 1.00 0.00 N ATOM 948 CA LYS A 58 28.916 -3.038 -8.760 1.00 0.00 C ATOM 949 C LYS A 58 29.446 -2.051 -9.806 1.00 0.00 C ATOM 950 O LYS A 58 30.214 -2.436 -10.695 1.00 0.00 O ATOM 951 CB LYS A 58 27.416 -3.342 -9.019 1.00 0.00 C ATOM 952 CG LYS A 58 26.878 -4.594 -8.290 1.00 0.00 C ATOM 953 CD LYS A 58 25.339 -4.733 -8.371 1.00 0.00 C ATOM 954 CE LYS A 58 24.819 -4.898 -9.807 1.00 0.00 C ATOM 955 NZ LYS A 58 23.343 -5.010 -9.845 1.00 0.00 N ATOM 0 H LYS A 58 28.256 -2.279 -6.905 1.00 0.00 H new ATOM 0 HA LYS A 58 29.478 -3.967 -8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 58 26.826 -2.478 -8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 58 27.264 -3.469 -10.091 1.00 0.00 H new ATOM 0 HG2 LYS A 58 27.340 -5.483 -8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 58 27.178 -4.554 -7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.027 -5.593 -7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.877 -3.853 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 58 25.135 -4.046 -10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.263 -5.787 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.028 -5.120 -10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 23.043 -5.838 -9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 22.919 -4.151 -9.440 1.00 0.00 H new ATOM 969 N MET A 59 29.043 -0.774 -9.671 1.00 0.00 N ATOM 970 CA MET A 59 29.482 0.293 -10.583 1.00 0.00 C ATOM 971 C MET A 59 30.993 0.520 -10.434 1.00 0.00 C ATOM 972 O MET A 59 31.706 0.633 -11.420 1.00 0.00 O ATOM 973 CB MET A 59 28.728 1.625 -10.311 1.00 0.00 C ATOM 974 CG MET A 59 27.195 1.583 -10.456 1.00 0.00 C ATOM 975 SD MET A 59 26.610 1.055 -12.089 1.00 0.00 S ATOM 976 CE MET A 59 26.174 -0.668 -11.817 1.00 0.00 C ATOM 0 H MET A 59 28.411 -0.457 -8.935 1.00 0.00 H new ATOM 0 HA MET A 59 29.253 -0.025 -11.600 1.00 0.00 H new ATOM 0 HB2 MET A 59 28.967 1.953 -9.299 1.00 0.00 H new ATOM 0 HB3 MET A 59 29.116 2.383 -10.992 1.00 0.00 H new ATOM 0 HG2 MET A 59 26.790 0.908 -9.703 1.00 0.00 H new ATOM 0 HG3 MET A 59 26.795 2.574 -10.244 1.00 0.00 H new ATOM 0 HE1 MET A 59 25.802 -1.100 -12.746 1.00 0.00 H new ATOM 0 HE2 MET A 59 27.055 -1.219 -11.488 1.00 0.00 H new ATOM 0 HE3 MET A 59 25.400 -0.731 -11.052 1.00 0.00 H new ATOM 986 N GLU A 60 31.467 0.528 -9.180 1.00 0.00 N ATOM 987 CA GLU A 60 32.845 0.912 -8.856 1.00 0.00 C ATOM 988 C GLU A 60 33.874 -0.130 -9.341 1.00 0.00 C ATOM 989 O GLU A 60 34.905 0.251 -9.888 1.00 0.00 O ATOM 990 CB GLU A 60 32.983 1.155 -7.335 1.00 0.00 C ATOM 991 CG GLU A 60 34.341 1.743 -6.901 1.00 0.00 C ATOM 992 CD GLU A 60 34.428 2.020 -5.388 1.00 0.00 C ATOM 993 OE1 GLU A 60 34.052 3.130 -4.948 1.00 0.00 O ATOM 994 OE2 GLU A 60 34.900 1.141 -4.636 1.00 0.00 O ATOM 0 H GLU A 60 30.908 0.270 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 60 33.063 1.838 -9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.190 1.831 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.827 0.211 -6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 60 35.135 1.052 -7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 60 34.518 2.671 -7.444 1.00 0.00 H new ATOM 1001 N LYS A 61 33.570 -1.439 -9.168 1.00 0.00 N ATOM 1002 CA LYS A 61 34.531 -2.525 -9.492 1.00 0.00 C ATOM 1003 C LYS A 61 34.787 -2.613 -11.003 1.00 0.00 C ATOM 1004 O LYS A 61 35.940 -2.756 -11.432 1.00 0.00 O ATOM 1005 CB LYS A 61 34.076 -3.900 -8.914 1.00 0.00 C ATOM 1006 CG LYS A 61 32.758 -4.497 -9.468 1.00 0.00 C ATOM 1007 CD LYS A 61 32.337 -5.772 -8.696 1.00 0.00 C ATOM 1008 CE LYS A 61 30.986 -6.344 -9.153 1.00 0.00 C ATOM 1009 NZ LYS A 61 31.037 -6.888 -10.535 1.00 0.00 N ATOM 0 H LYS A 61 32.674 -1.768 -8.809 1.00 0.00 H new ATOM 0 HA LYS A 61 35.474 -2.271 -9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 61 34.874 -4.621 -9.089 1.00 0.00 H new ATOM 0 HB3 LYS A 61 33.972 -3.795 -7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 61 31.965 -3.752 -9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 61 32.882 -4.736 -10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 61 33.107 -6.534 -8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.285 -5.543 -7.632 1.00 0.00 H new ATOM 0 HE2 LYS A 61 30.678 -7.133 -8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.228 -5.563 -9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.102 -7.261 -10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 31.304 -6.131 -11.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 31.740 -7.653 -10.581 1.00 0.00 H new ATOM 1023 N GLU A 62 33.719 -2.479 -11.806 1.00 0.00 N ATOM 1024 CA GLU A 62 33.826 -2.507 -13.279 1.00 0.00 C ATOM 1025 C GLU A 62 34.427 -1.190 -13.801 1.00 0.00 C ATOM 1026 O GLU A 62 35.061 -1.167 -14.857 1.00 0.00 O ATOM 1027 CB GLU A 62 32.437 -2.791 -13.908 1.00 0.00 C ATOM 1028 CG GLU A 62 31.371 -1.678 -13.704 1.00 0.00 C ATOM 1029 CD GLU A 62 31.181 -0.752 -14.919 1.00 0.00 C ATOM 1030 OE1 GLU A 62 30.500 -1.159 -15.878 1.00 0.00 O ATOM 1031 OE2 GLU A 62 31.716 0.368 -14.929 1.00 0.00 O ATOM 0 H GLU A 62 32.768 -2.350 -11.461 1.00 0.00 H new ATOM 0 HA GLU A 62 34.499 -3.313 -13.573 1.00 0.00 H new ATOM 0 HB2 GLU A 62 32.568 -2.953 -14.978 1.00 0.00 H new ATOM 0 HB3 GLU A 62 32.051 -3.721 -13.490 1.00 0.00 H new ATOM 0 HG2 GLU A 62 30.416 -2.146 -13.465 1.00 0.00 H new ATOM 0 HG3 GLU A 62 31.654 -1.074 -12.842 1.00 0.00 H new ATOM 1038 N ARG A 63 34.213 -0.101 -13.034 1.00 0.00 N ATOM 1039 CA ARG A 63 34.754 1.237 -13.329 1.00 0.00 C ATOM 1040 C ARG A 63 36.280 1.242 -13.149 1.00 0.00 C ATOM 1041 O ARG A 63 37.009 1.832 -13.948 1.00 0.00 O ATOM 1042 CB ARG A 63 34.085 2.283 -12.406 1.00 0.00 C ATOM 1043 CG ARG A 63 34.507 3.739 -12.643 1.00 0.00 C ATOM 1044 CD ARG A 63 33.771 4.729 -11.722 1.00 0.00 C ATOM 1045 NE ARG A 63 34.292 6.103 -11.867 1.00 0.00 N ATOM 1046 CZ ARG A 63 33.585 7.227 -11.700 1.00 0.00 C ATOM 1047 NH1 ARG A 63 32.289 7.189 -11.408 1.00 0.00 N ATOM 1048 NH2 ARG A 63 34.186 8.392 -11.828 1.00 0.00 N ATOM 0 H ARG A 63 33.652 -0.129 -12.182 1.00 0.00 H new ATOM 0 HA ARG A 63 34.535 1.496 -14.365 1.00 0.00 H new ATOM 0 HB2 ARG A 63 33.004 2.212 -12.529 1.00 0.00 H new ATOM 0 HB3 ARG A 63 34.306 2.023 -11.371 1.00 0.00 H new ATOM 0 HG2 ARG A 63 35.581 3.832 -12.484 1.00 0.00 H new ATOM 0 HG3 ARG A 63 34.314 4.004 -13.683 1.00 0.00 H new ATOM 0 HD2 ARG A 63 32.706 4.718 -11.953 1.00 0.00 H new ATOM 0 HD3 ARG A 63 33.876 4.408 -10.686 1.00 0.00 H new ATOM 0 HE ARG A 63 35.276 6.204 -12.116 1.00 0.00 H new ATOM 0 HH11 ARG A 63 31.815 6.291 -11.307 1.00 0.00 H new ATOM 0 HH12 ARG A 63 31.768 8.057 -11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 63 35.180 8.431 -12.052 1.00 0.00 H new ATOM 0 HH22 ARG A 63 33.657 9.255 -11.703 1.00 0.00 H new ATOM 1062 N ASN A 64 36.741 0.551 -12.093 1.00 0.00 N ATOM 1063 CA ASN A 64 38.171 0.369 -11.802 1.00 0.00 C ATOM 1064 C ASN A 64 38.816 -0.508 -12.891 1.00 0.00 C ATOM 1065 O ASN A 64 39.942 -0.247 -13.330 1.00 0.00 O ATOM 1066 CB ASN A 64 38.357 -0.273 -10.396 1.00 0.00 C ATOM 1067 CG ASN A 64 37.887 0.618 -9.233 1.00 0.00 C ATOM 1068 OD1 ASN A 64 37.977 1.847 -9.296 1.00 0.00 O ATOM 1069 ND2 ASN A 64 37.373 0.011 -8.165 1.00 0.00 N ATOM 0 H ASN A 64 36.127 0.101 -11.414 1.00 0.00 H new ATOM 0 HA ASN A 64 38.663 1.342 -11.800 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.809 -1.215 -10.363 1.00 0.00 H new ATOM 0 HB3 ASN A 64 39.411 -0.512 -10.254 1.00 0.00 H new ATOM 0 HD21 ASN A 64 37.042 0.564 -7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 64 37.310 -1.007 -8.138 1.00 0.00 H new