USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 634 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 67 CYS SG : rot 152:sc= 0.295 USER MOD Set 1.2: A 70 CYS SG : rot -37:sc= -3.17 USER MOD Set 1.3: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 1.4: A 83 HIS : no HE2:sc= 0.0222 K(o=-5.8,f=-8) USER MOD Set 1.5: A 88 HIS : no HD1:sc= -2.94! C(o=-5.8!,f=-10!) USER MOD Set 2.1: A 46 CYS SG : rot 130:sc= -1.45 USER MOD Set 2.2: A 48 SER OG : rot 41:sc= 0.868 USER MOD Set 3.1: A 39 CYS SG : rot 173:sc= -0.702 USER MOD Set 3.2: A 42 CYS SG : rot -41:sc= -1.01 USER MOD Set 3.3: A 55 HIS : no HE2:sc= -1.05 K(o=-3.1,f=-6.8) USER MOD Set 3.4: A 60 HIS : no HD1:sc= -0.306 K(o=-3.1,f=-8.3!) USER MOD Set 4.1: A 17 TYR OH : rot 165:sc= 0.175 USER MOD Set 4.2: A 19 SER OG : rot 116:sc= 0.168 USER MOD Set 5.1: A 12 CYS SG : rot -163:sc= 0.442 USER MOD Set 5.2: A 15 CYS SG : rot 180:sc= -3.91! USER MOD Set 5.3: A 28 HIS : no HD1:sc= -11! C(o=-16!,f=-23!) USER MOD Set 5.4: A 31 LYS NZ :NH3+ 150:sc=0.000735 (180deg=0) USER MOD Set 5.5: A 32 HIS : no HD1:sc= -1.94! K(o=-16!,f=-18) USER MOD Set 6.1: A 14 GLN : amide:sc= -2.56! C(o=-2.2!,f=-7.6!) USER MOD Set 6.2: A 36 LYS NZ :NH3+ 175:sc= 0.337 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= -0.0301 (180deg=-0.27) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= -0.0302 (180deg=-0.263) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.873 K(o=-0.87,f=-0.17) USER MOD Single : A 26 ASN : amide:sc= -2.57! K(o=-2.6!,f=-1.4) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -51:sc= 0.969 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 135:sc= -0.866 (180deg=-2.75!) USER MOD Single : A 65 GLN : amide:sc= -2.7! C(o=-2.7!,f=-2.4!) USER MOD Single : A 66 HIS : no HD1:sc= -0.785 X(o=-0.78,f=-0.56) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.529 K(o=-0.53,f=-0.017) USER MOD Single : A 82 LYS NZ :NH3+ 152:sc= -0.534 (180deg=-1.73!) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -15.306 -9.378 -53.761 1.00 0.00 N ATOM 67 CA LYS A 8 -14.501 -8.314 -53.173 1.00 0.00 C ATOM 68 C LYS A 8 -14.325 -8.530 -51.673 1.00 0.00 C ATOM 69 O LYS A 8 -14.629 -7.661 -50.856 1.00 0.00 O ATOM 70 CB LYS A 8 -15.153 -6.953 -53.429 1.00 0.00 C ATOM 71 CG LYS A 8 -15.359 -6.645 -54.902 1.00 0.00 C ATOM 72 CD LYS A 8 -16.523 -5.691 -55.115 1.00 0.00 C ATOM 73 CE LYS A 8 -16.914 -5.608 -56.582 1.00 0.00 C ATOM 74 NZ LYS A 8 -17.505 -6.884 -57.072 1.00 0.00 N ATOM 0 HA LYS A 8 -13.518 -8.334 -53.643 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.117 -6.920 -52.921 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.533 -6.173 -52.987 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.449 -6.208 -55.314 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.542 -7.571 -55.446 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -17.379 -6.023 -54.527 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.253 -4.699 -54.753 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.631 -4.799 -56.721 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.036 -5.362 -57.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.028 -6.708 -57.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.746 -7.572 -57.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.154 -7.264 -56.354 1.00 0.00 H new ATOM 88 N PRO A 9 -13.822 -9.717 -51.301 1.00 0.00 N ATOM 89 CA PRO A 9 -13.592 -10.074 -49.898 1.00 0.00 C ATOM 90 C PRO A 9 -12.446 -9.282 -49.278 1.00 0.00 C ATOM 91 O PRO A 9 -12.424 -9.045 -48.070 1.00 0.00 O ATOM 92 CB PRO A 9 -13.241 -11.562 -49.964 1.00 0.00 C ATOM 93 CG PRO A 9 -12.695 -11.762 -51.335 1.00 0.00 C ATOM 94 CD PRO A 9 -13.438 -10.800 -52.221 1.00 0.00 C ATOM 0 HA PRO A 9 -14.458 -9.854 -49.274 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.508 -11.830 -49.203 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.120 -12.184 -49.793 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.623 -11.567 -51.360 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.840 -12.790 -51.667 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.810 -10.434 -53.033 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.310 -11.267 -52.679 1.00 0.00 H new ATOM 102 N TYR A 10 -11.495 -8.876 -50.112 1.00 0.00 N ATOM 103 CA TYR A 10 -10.344 -8.112 -49.645 1.00 0.00 C ATOM 104 C TYR A 10 -10.763 -6.718 -49.191 1.00 0.00 C ATOM 105 O TYR A 10 -10.966 -5.819 -50.008 1.00 0.00 O ATOM 106 CB TYR A 10 -9.294 -8.006 -50.752 1.00 0.00 C ATOM 107 CG TYR A 10 -8.611 -9.317 -51.067 1.00 0.00 C ATOM 108 CD1 TYR A 10 -9.268 -10.528 -50.879 1.00 0.00 C ATOM 109 CD2 TYR A 10 -7.309 -9.347 -51.552 1.00 0.00 C ATOM 110 CE1 TYR A 10 -8.648 -11.729 -51.165 1.00 0.00 C ATOM 111 CE2 TYR A 10 -6.682 -10.543 -51.842 1.00 0.00 C ATOM 112 CZ TYR A 10 -7.355 -11.731 -51.647 1.00 0.00 C ATOM 113 OH TYR A 10 -6.733 -12.925 -51.933 1.00 0.00 O ATOM 0 H TYR A 10 -11.498 -9.063 -51.115 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.913 -8.637 -48.793 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.769 -7.627 -51.657 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.541 -7.275 -50.458 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.280 -10.530 -50.503 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.778 -8.419 -51.705 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.172 -12.661 -51.012 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.670 -10.548 -52.219 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.827 -12.751 -52.264 1.00 0.00 H new ATOM 123 N LYS A 11 -10.891 -6.543 -47.880 1.00 0.00 N ATOM 124 CA LYS A 11 -11.284 -5.259 -47.313 1.00 0.00 C ATOM 125 C LYS A 11 -10.059 -4.419 -46.968 1.00 0.00 C ATOM 126 O LYS A 11 -9.008 -4.952 -46.609 1.00 0.00 O ATOM 127 CB LYS A 11 -12.139 -5.471 -46.061 1.00 0.00 C ATOM 128 CG LYS A 11 -13.336 -6.379 -46.288 1.00 0.00 C ATOM 129 CD LYS A 11 -14.333 -5.756 -47.250 1.00 0.00 C ATOM 130 CE LYS A 11 -15.744 -6.263 -46.995 1.00 0.00 C ATOM 131 NZ LYS A 11 -16.297 -5.744 -45.714 1.00 0.00 N ATOM 0 H LYS A 11 -10.728 -7.276 -47.190 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.871 -4.725 -48.060 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.516 -5.895 -45.273 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.490 -4.503 -45.703 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.998 -7.337 -46.683 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.826 -6.582 -45.336 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.311 -4.671 -47.147 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.043 -5.985 -48.275 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.392 -5.963 -47.818 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.740 -7.353 -46.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.334 -5.817 -45.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.922 -6.304 -44.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.022 -4.748 -45.595 1.00 0.00 H new ATOM 145 N CYS A 12 -10.200 -3.102 -47.077 1.00 0.00 N ATOM 146 CA CYS A 12 -9.106 -2.187 -46.776 1.00 0.00 C ATOM 147 C CYS A 12 -9.040 -1.891 -45.280 1.00 0.00 C ATOM 148 O CYS A 12 -9.983 -1.371 -44.683 1.00 0.00 O ATOM 149 CB CYS A 12 -9.273 -0.883 -47.558 1.00 0.00 C ATOM 150 SG CYS A 12 -7.901 0.296 -47.342 1.00 0.00 S ATOM 0 H CYS A 12 -11.063 -2.644 -47.372 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.173 -2.665 -47.076 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.372 -1.118 -48.618 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.202 -0.403 -47.249 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.279 1.477 -47.732 1.00 0.00 H new ATOM 155 N PRO A 13 -7.900 -2.230 -44.660 1.00 0.00 N ATOM 156 CA PRO A 13 -7.683 -2.009 -43.227 1.00 0.00 C ATOM 157 C PRO A 13 -7.546 -0.530 -42.883 1.00 0.00 C ATOM 158 O PRO A 13 -7.347 -0.170 -41.723 1.00 0.00 O ATOM 159 CB PRO A 13 -6.371 -2.746 -42.949 1.00 0.00 C ATOM 160 CG PRO A 13 -5.662 -2.765 -44.260 1.00 0.00 C ATOM 161 CD PRO A 13 -6.735 -2.853 -45.309 1.00 0.00 C ATOM 0 HA PRO A 13 -8.522 -2.364 -42.628 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.783 -2.233 -42.188 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.554 -3.756 -42.583 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.060 -1.866 -44.391 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.983 -3.615 -44.324 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.452 -2.324 -46.219 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.937 -3.886 -45.591 1.00 0.00 H new ATOM 169 N GLN A 14 -7.655 0.322 -43.897 1.00 0.00 N ATOM 170 CA GLN A 14 -7.543 1.762 -43.700 1.00 0.00 C ATOM 171 C GLN A 14 -8.875 2.454 -43.972 1.00 0.00 C ATOM 172 O GLN A 14 -9.240 3.411 -43.288 1.00 0.00 O ATOM 173 CB GLN A 14 -6.459 2.340 -44.612 1.00 0.00 C ATOM 174 CG GLN A 14 -5.093 1.704 -44.412 1.00 0.00 C ATOM 175 CD GLN A 14 -3.955 2.673 -44.665 1.00 0.00 C ATOM 176 OE1 GLN A 14 -4.031 3.847 -44.300 1.00 0.00 O ATOM 177 NE2 GLN A 14 -2.892 2.186 -45.293 1.00 0.00 N ATOM 0 H GLN A 14 -7.821 0.040 -44.863 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.267 1.941 -42.661 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.763 2.210 -45.651 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.381 3.413 -44.435 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.020 1.322 -43.394 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.993 0.849 -45.081 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.872 1.207 -45.577 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.095 2.791 -45.491 1.00 0.00 H new ATOM 186 N CYS A 15 -9.597 1.964 -44.974 1.00 0.00 N ATOM 187 CA CYS A 15 -10.888 2.535 -45.337 1.00 0.00 C ATOM 188 C CYS A 15 -11.918 1.437 -45.586 1.00 0.00 C ATOM 189 O CYS A 15 -11.648 0.257 -45.364 1.00 0.00 O ATOM 190 CB CYS A 15 -10.749 3.411 -46.584 1.00 0.00 C ATOM 191 SG CYS A 15 -10.962 2.510 -48.153 1.00 0.00 S ATOM 0 H CYS A 15 -9.310 1.172 -45.549 1.00 0.00 H new ATOM 0 HA CYS A 15 -11.232 3.150 -44.505 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -11.485 4.213 -46.535 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.765 3.880 -46.578 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.828 3.335 -49.149 1.00 0.00 H new ATOM 196 N SER A 16 -13.099 1.834 -46.049 1.00 0.00 N ATOM 197 CA SER A 16 -14.171 0.885 -46.325 1.00 0.00 C ATOM 198 C SER A 16 -14.099 0.388 -47.765 1.00 0.00 C ATOM 199 O SER A 16 -15.124 0.194 -48.419 1.00 0.00 O ATOM 200 CB SER A 16 -15.533 1.531 -46.063 1.00 0.00 C ATOM 201 OG SER A 16 -15.640 1.968 -44.720 1.00 0.00 O ATOM 0 H SER A 16 -13.338 2.807 -46.241 1.00 0.00 H new ATOM 0 HA SER A 16 -14.048 0.032 -45.658 1.00 0.00 H new ATOM 0 HB2 SER A 16 -15.673 2.377 -46.736 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.326 0.816 -46.280 1.00 0.00 H new ATOM 0 HG SER A 16 -16.519 2.379 -44.579 1.00 0.00 H new ATOM 207 N TYR A 17 -12.881 0.185 -48.254 1.00 0.00 N ATOM 208 CA TYR A 17 -12.673 -0.286 -49.618 1.00 0.00 C ATOM 209 C TYR A 17 -12.633 -1.811 -49.667 1.00 0.00 C ATOM 210 O TYR A 17 -12.185 -2.462 -48.724 1.00 0.00 O ATOM 211 CB TYR A 17 -11.374 0.288 -50.187 1.00 0.00 C ATOM 212 CG TYR A 17 -10.928 -0.378 -51.469 1.00 0.00 C ATOM 213 CD1 TYR A 17 -11.502 -0.036 -52.688 1.00 0.00 C ATOM 214 CD2 TYR A 17 -9.935 -1.349 -51.462 1.00 0.00 C ATOM 215 CE1 TYR A 17 -11.098 -0.641 -53.862 1.00 0.00 C ATOM 216 CE2 TYR A 17 -9.524 -1.958 -52.632 1.00 0.00 C ATOM 217 CZ TYR A 17 -10.109 -1.602 -53.829 1.00 0.00 C ATOM 218 OH TYR A 17 -9.703 -2.208 -54.996 1.00 0.00 O ATOM 0 H TYR A 17 -12.022 0.339 -47.726 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.510 0.058 -50.225 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.507 1.355 -50.369 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.585 0.187 -49.442 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.277 0.716 -52.718 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.476 -1.633 -50.526 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.554 -0.363 -54.801 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -8.748 -2.709 -52.609 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.854 -2.673 -54.845 1.00 0.00 H new ATOM 228 N ALA A 18 -13.104 -2.373 -50.776 1.00 0.00 N ATOM 229 CA ALA A 18 -13.119 -3.820 -50.951 1.00 0.00 C ATOM 230 C ALA A 18 -12.626 -4.210 -52.340 1.00 0.00 C ATOM 231 O ALA A 18 -12.802 -3.465 -53.304 1.00 0.00 O ATOM 232 CB ALA A 18 -14.520 -4.365 -50.714 1.00 0.00 C ATOM 0 H ALA A 18 -13.480 -1.848 -51.566 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.441 -4.257 -50.218 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.517 -5.447 -50.848 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.836 -4.126 -49.699 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.211 -3.913 -51.425 1.00 0.00 H new ATOM 238 N SER A 19 -12.007 -5.383 -52.435 1.00 0.00 N ATOM 239 CA SER A 19 -11.484 -5.870 -53.706 1.00 0.00 C ATOM 240 C SER A 19 -11.409 -7.394 -53.714 1.00 0.00 C ATOM 241 O SER A 19 -11.609 -8.042 -52.687 1.00 0.00 O ATOM 242 CB SER A 19 -10.098 -5.279 -53.971 1.00 0.00 C ATOM 243 OG SER A 19 -9.828 -5.216 -55.361 1.00 0.00 O ATOM 0 H SER A 19 -11.856 -6.013 -51.647 1.00 0.00 H new ATOM 0 HA SER A 19 -12.164 -5.552 -54.496 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.037 -4.280 -53.540 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.340 -5.886 -53.477 1.00 0.00 H new ATOM 0 HG SER A 19 -9.733 -4.279 -55.634 1.00 0.00 H new ATOM 249 N ALA A 20 -11.119 -7.959 -54.881 1.00 0.00 N ATOM 250 CA ALA A 20 -11.015 -9.406 -55.025 1.00 0.00 C ATOM 251 C ALA A 20 -9.669 -9.804 -55.620 1.00 0.00 C ATOM 252 O ALA A 20 -9.541 -10.863 -56.236 1.00 0.00 O ATOM 253 CB ALA A 20 -12.153 -9.934 -55.886 1.00 0.00 C ATOM 0 H ALA A 20 -10.952 -7.437 -55.741 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.089 -9.851 -54.033 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.063 -11.016 -55.985 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.107 -9.691 -55.418 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.106 -9.474 -56.873 1.00 0.00 H new ATOM 259 N ILE A 21 -8.669 -8.949 -55.434 1.00 0.00 N ATOM 260 CA ILE A 21 -7.333 -9.212 -55.953 1.00 0.00 C ATOM 261 C ILE A 21 -6.264 -8.590 -55.062 1.00 0.00 C ATOM 262 O ILE A 21 -6.184 -7.368 -54.930 1.00 0.00 O ATOM 263 CB ILE A 21 -7.169 -8.671 -57.386 1.00 0.00 C ATOM 264 CG1 ILE A 21 -8.244 -9.259 -58.303 1.00 0.00 C ATOM 265 CG2 ILE A 21 -5.779 -8.991 -57.917 1.00 0.00 C ATOM 266 CD1 ILE A 21 -8.252 -8.655 -59.689 1.00 0.00 C ATOM 0 H ILE A 21 -8.759 -8.068 -54.928 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.207 -10.295 -55.965 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.289 -7.588 -57.366 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.091 -10.335 -58.385 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.222 -9.110 -57.845 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.678 -8.602 -58.930 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.029 -8.529 -57.275 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.633 -10.071 -57.926 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.039 -9.119 -60.284 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.436 -7.583 -59.618 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.287 -8.827 -60.166 1.00 0.00 H new ATOM 278 N LYS A 22 -5.443 -9.438 -54.452 1.00 0.00 N ATOM 279 CA LYS A 22 -4.375 -8.972 -53.574 1.00 0.00 C ATOM 280 C LYS A 22 -3.662 -7.767 -54.177 1.00 0.00 C ATOM 281 O LYS A 22 -3.511 -6.733 -53.527 1.00 0.00 O ATOM 282 CB LYS A 22 -3.371 -10.098 -53.318 1.00 0.00 C ATOM 283 CG LYS A 22 -2.742 -10.050 -51.936 1.00 0.00 C ATOM 284 CD LYS A 22 -2.497 -11.445 -51.386 1.00 0.00 C ATOM 285 CE LYS A 22 -1.595 -11.410 -50.161 1.00 0.00 C ATOM 286 NZ LYS A 22 -0.926 -12.720 -49.929 1.00 0.00 N ATOM 0 H LYS A 22 -5.496 -10.452 -54.549 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.822 -8.670 -52.627 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.873 -11.057 -53.446 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.582 -10.048 -54.069 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.799 -9.506 -51.983 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.394 -9.500 -51.257 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.449 -11.907 -51.125 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.042 -12.067 -52.157 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.840 -10.634 -50.287 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.184 -11.142 -49.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.320 -12.656 -49.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.646 -13.456 -49.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.344 -12.964 -50.756 1.00 0.00 H new ATOM 300 N ALA A 23 -3.225 -7.907 -55.425 1.00 0.00 N ATOM 301 CA ALA A 23 -2.530 -6.828 -56.117 1.00 0.00 C ATOM 302 C ALA A 23 -3.308 -5.520 -56.015 1.00 0.00 C ATOM 303 O ALA A 23 -2.732 -4.463 -55.765 1.00 0.00 O ATOM 304 CB ALA A 23 -2.302 -7.197 -57.575 1.00 0.00 C ATOM 0 H ALA A 23 -3.340 -8.757 -55.977 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.563 -6.684 -55.635 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.782 -6.382 -58.079 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.698 -8.103 -57.631 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.262 -7.371 -58.061 1.00 0.00 H new ATOM 310 N ASN A 24 -4.620 -5.601 -56.212 1.00 0.00 N ATOM 311 CA ASN A 24 -5.477 -4.423 -56.144 1.00 0.00 C ATOM 312 C ASN A 24 -5.391 -3.766 -54.769 1.00 0.00 C ATOM 313 O ASN A 24 -4.985 -2.610 -54.645 1.00 0.00 O ATOM 314 CB ASN A 24 -6.927 -4.802 -56.450 1.00 0.00 C ATOM 315 CG ASN A 24 -7.245 -4.725 -57.931 1.00 0.00 C ATOM 316 OD1 ASN A 24 -7.987 -3.847 -58.372 1.00 0.00 O ATOM 317 ND2 ASN A 24 -6.683 -5.645 -58.705 1.00 0.00 N ATOM 0 H ASN A 24 -5.113 -6.470 -56.420 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.130 -3.709 -56.891 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.118 -5.814 -56.092 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.596 -4.138 -55.903 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.859 -5.643 -59.710 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.075 -6.354 -58.295 1.00 0.00 H new ATOM 324 N LEU A 25 -5.774 -4.512 -53.739 1.00 0.00 N ATOM 325 CA LEU A 25 -5.740 -4.004 -52.372 1.00 0.00 C ATOM 326 C LEU A 25 -4.439 -3.254 -52.102 1.00 0.00 C ATOM 327 O LEU A 25 -4.419 -2.276 -51.356 1.00 0.00 O ATOM 328 CB LEU A 25 -5.896 -5.153 -51.375 1.00 0.00 C ATOM 329 CG LEU A 25 -6.126 -4.752 -49.917 1.00 0.00 C ATOM 330 CD1 LEU A 25 -7.409 -3.947 -49.782 1.00 0.00 C ATOM 331 CD2 LEU A 25 -6.170 -5.984 -49.025 1.00 0.00 C ATOM 0 H LEU A 25 -6.112 -5.471 -53.824 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.571 -3.309 -52.248 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.732 -5.775 -51.696 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.001 -5.773 -51.423 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.293 -4.126 -49.596 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.557 -3.670 -48.738 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.338 -3.045 -50.390 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.253 -4.548 -50.121 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.334 -5.679 -47.991 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.983 -6.636 -49.345 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.224 -6.521 -49.099 1.00 0.00 H new ATOM 343 N ASN A 26 -3.356 -3.719 -52.716 1.00 0.00 N ATOM 344 CA ASN A 26 -2.051 -3.091 -52.543 1.00 0.00 C ATOM 345 C ASN A 26 -2.027 -1.704 -53.177 1.00 0.00 C ATOM 346 O ASN A 26 -1.715 -0.713 -52.516 1.00 0.00 O ATOM 347 CB ASN A 26 -0.956 -3.965 -53.159 1.00 0.00 C ATOM 348 CG ASN A 26 -0.728 -5.243 -52.375 1.00 0.00 C ATOM 349 OD1 ASN A 26 -0.139 -5.225 -51.294 1.00 0.00 O ATOM 350 ND2 ASN A 26 -1.194 -6.361 -52.919 1.00 0.00 N ATOM 0 H ASN A 26 -3.356 -4.528 -53.337 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.864 -2.986 -51.474 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.228 -4.215 -54.185 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.026 -3.399 -53.205 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.070 -7.252 -52.439 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.676 -6.329 -53.817 1.00 0.00 H new ATOM 357 N VAL A 27 -2.358 -1.641 -54.462 1.00 0.00 N ATOM 358 CA VAL A 27 -2.376 -0.375 -55.186 1.00 0.00 C ATOM 359 C VAL A 27 -3.360 0.604 -54.556 1.00 0.00 C ATOM 360 O VAL A 27 -3.144 1.817 -54.574 1.00 0.00 O ATOM 361 CB VAL A 27 -2.749 -0.580 -56.666 1.00 0.00 C ATOM 362 CG1 VAL A 27 -4.256 -0.485 -56.855 1.00 0.00 C ATOM 363 CG2 VAL A 27 -2.029 0.434 -57.542 1.00 0.00 C ATOM 0 H VAL A 27 -2.618 -2.452 -55.024 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.369 0.038 -55.127 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.431 -1.578 -56.968 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.501 -0.632 -57.907 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.747 -1.253 -56.257 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.601 0.499 -56.536 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.304 0.275 -58.585 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.314 1.442 -57.241 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.952 0.313 -57.429 1.00 0.00 H new ATOM 373 N HIS A 28 -4.442 0.071 -53.998 1.00 0.00 N ATOM 374 CA HIS A 28 -5.461 0.898 -53.360 1.00 0.00 C ATOM 375 C HIS A 28 -4.943 1.482 -52.049 1.00 0.00 C ATOM 376 O HIS A 28 -5.317 2.589 -51.660 1.00 0.00 O ATOM 377 CB HIS A 28 -6.726 0.078 -53.103 1.00 0.00 C ATOM 378 CG HIS A 28 -7.729 0.781 -52.241 1.00 0.00 C ATOM 379 ND1 HIS A 28 -8.709 1.608 -52.749 1.00 0.00 N ATOM 380 CD2 HIS A 28 -7.902 0.775 -50.899 1.00 0.00 C ATOM 381 CE1 HIS A 28 -9.440 2.081 -51.756 1.00 0.00 C ATOM 382 NE2 HIS A 28 -8.972 1.591 -50.622 1.00 0.00 N ATOM 0 H HIS A 28 -4.636 -0.930 -53.974 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.701 1.720 -54.034 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.189 -0.169 -54.058 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.449 -0.864 -52.630 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.309 0.230 -50.179 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.279 2.754 -51.854 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.344 1.787 -49.693 1.00 0.00 H new ATOM 390 N LEU A 29 -4.083 0.731 -51.371 1.00 0.00 N ATOM 391 CA LEU A 29 -3.514 1.173 -50.103 1.00 0.00 C ATOM 392 C LEU A 29 -2.448 2.241 -50.327 1.00 0.00 C ATOM 393 O LEU A 29 -2.230 3.103 -49.475 1.00 0.00 O ATOM 394 CB LEU A 29 -2.912 -0.014 -49.349 1.00 0.00 C ATOM 395 CG LEU A 29 -3.911 -1.019 -48.773 1.00 0.00 C ATOM 396 CD1 LEU A 29 -3.240 -2.364 -48.540 1.00 0.00 C ATOM 397 CD2 LEU A 29 -4.515 -0.491 -47.480 1.00 0.00 C ATOM 0 H LEU A 29 -3.764 -0.188 -51.678 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.316 1.606 -49.505 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.241 -0.545 -50.024 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.303 0.372 -48.532 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.715 -1.157 -49.496 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.966 -3.066 -48.130 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.857 -2.748 -49.485 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.416 -2.242 -47.837 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.223 -1.219 -47.085 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.723 -0.323 -46.750 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.032 0.448 -47.677 1.00 0.00 H new ATOM 409 N ARG A 30 -1.788 2.179 -51.479 1.00 0.00 N ATOM 410 CA ARG A 30 -0.746 3.141 -51.816 1.00 0.00 C ATOM 411 C ARG A 30 -1.194 4.563 -51.492 1.00 0.00 C ATOM 412 O ARG A 30 -0.479 5.316 -50.830 1.00 0.00 O ATOM 413 CB ARG A 30 -0.383 3.033 -53.298 1.00 0.00 C ATOM 414 CG ARG A 30 0.133 1.662 -53.701 1.00 0.00 C ATOM 415 CD ARG A 30 0.509 1.618 -55.173 1.00 0.00 C ATOM 416 NE ARG A 30 -0.425 2.378 -55.999 1.00 0.00 N ATOM 417 CZ ARG A 30 -0.119 2.866 -57.197 1.00 0.00 C ATOM 418 NH1 ARG A 30 1.090 2.673 -57.705 1.00 0.00 N ATOM 419 NH2 ARG A 30 -1.024 3.547 -57.888 1.00 0.00 N ATOM 0 H ARG A 30 -1.957 1.472 -52.195 1.00 0.00 H new ATOM 0 HA ARG A 30 0.135 2.911 -51.216 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.262 3.271 -53.897 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.375 3.780 -53.533 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.002 1.407 -53.095 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.630 0.911 -53.497 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.515 2.017 -55.302 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.531 0.582 -55.511 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.364 2.544 -55.637 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.788 2.149 -57.176 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.323 3.048 -58.624 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.955 3.696 -57.500 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.788 3.921 -58.807 1.00 0.00 H new ATOM 433 N LYS A 31 -2.382 4.925 -51.964 1.00 0.00 N ATOM 434 CA LYS A 31 -2.927 6.257 -51.726 1.00 0.00 C ATOM 435 C LYS A 31 -3.128 6.503 -50.234 1.00 0.00 C ATOM 436 O LYS A 31 -3.041 7.638 -49.764 1.00 0.00 O ATOM 437 CB LYS A 31 -4.256 6.426 -52.465 1.00 0.00 C ATOM 438 CG LYS A 31 -5.424 5.737 -51.783 1.00 0.00 C ATOM 439 CD LYS A 31 -6.613 5.597 -52.718 1.00 0.00 C ATOM 440 CE LYS A 31 -6.316 4.634 -53.858 1.00 0.00 C ATOM 441 NZ LYS A 31 -7.531 4.340 -54.667 1.00 0.00 N ATOM 0 H LYS A 31 -2.986 4.315 -52.514 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.213 6.988 -52.104 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.477 7.489 -52.559 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.152 6.032 -53.476 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.114 4.751 -51.437 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.719 6.306 -50.901 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.478 5.243 -52.157 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.875 6.574 -53.124 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.546 5.059 -54.501 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.916 3.705 -53.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.254 4.139 -55.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.021 3.514 -54.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.168 5.162 -54.649 1.00 0.00 H new ATOM 455 N HIS A 32 -3.397 5.432 -49.493 1.00 0.00 N ATOM 456 CA HIS A 32 -3.609 5.533 -48.053 1.00 0.00 C ATOM 457 C HIS A 32 -2.289 5.769 -47.325 1.00 0.00 C ATOM 458 O HIS A 32 -2.271 6.212 -46.177 1.00 0.00 O ATOM 459 CB HIS A 32 -4.276 4.262 -47.525 1.00 0.00 C ATOM 460 CG HIS A 32 -5.752 4.213 -47.773 1.00 0.00 C ATOM 461 ND1 HIS A 32 -6.631 5.149 -47.272 1.00 0.00 N ATOM 462 CD2 HIS A 32 -6.502 3.333 -48.476 1.00 0.00 C ATOM 463 CE1 HIS A 32 -7.859 4.847 -47.654 1.00 0.00 C ATOM 464 NE2 HIS A 32 -7.808 3.749 -48.387 1.00 0.00 N ATOM 0 H HIS A 32 -3.473 4.486 -49.865 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.264 6.384 -47.865 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.808 3.395 -47.992 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.093 4.184 -46.453 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.141 2.465 -49.008 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.752 5.403 -47.409 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -8.608 3.286 -48.817 1.00 0.00 H new ATOM 508 N LYS A 36 3.031 7.590 -40.745 1.00 0.00 N ATOM 509 CA LYS A 36 2.239 6.813 -39.799 1.00 0.00 C ATOM 510 C LYS A 36 2.957 6.691 -38.459 1.00 0.00 C ATOM 511 O LYS A 36 3.949 5.971 -38.338 1.00 0.00 O ATOM 512 CB LYS A 36 1.954 5.420 -40.365 1.00 0.00 C ATOM 513 CG LYS A 36 1.039 5.431 -41.578 1.00 0.00 C ATOM 514 CD LYS A 36 0.169 4.187 -41.631 1.00 0.00 C ATOM 515 CE LYS A 36 -1.169 4.471 -42.297 1.00 0.00 C ATOM 516 NZ LYS A 36 -1.108 4.270 -43.772 1.00 0.00 N ATOM 0 HA LYS A 36 1.295 7.334 -39.639 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.898 4.947 -40.637 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.503 4.806 -39.586 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.406 6.318 -41.549 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.638 5.496 -42.486 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.689 3.401 -42.178 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.002 3.815 -40.620 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.932 3.818 -41.873 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.471 5.496 -42.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.058 4.391 -44.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.461 4.968 -44.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.763 3.311 -43.978 1.00 0.00 H new ATOM 530 N PHE A 37 2.450 7.399 -37.455 1.00 0.00 N ATOM 531 CA PHE A 37 3.043 7.370 -36.123 1.00 0.00 C ATOM 532 C PHE A 37 2.336 6.350 -35.235 1.00 0.00 C ATOM 533 O PHE A 37 1.215 6.579 -34.780 1.00 0.00 O ATOM 534 CB PHE A 37 2.975 8.757 -35.481 1.00 0.00 C ATOM 535 CG PHE A 37 3.615 9.833 -36.310 1.00 0.00 C ATOM 536 CD1 PHE A 37 4.988 10.016 -36.292 1.00 0.00 C ATOM 537 CD2 PHE A 37 2.843 10.662 -37.108 1.00 0.00 C ATOM 538 CE1 PHE A 37 5.579 11.007 -37.053 1.00 0.00 C ATOM 539 CE2 PHE A 37 3.428 11.654 -37.872 1.00 0.00 C ATOM 540 CZ PHE A 37 4.798 11.826 -37.845 1.00 0.00 C ATOM 0 H PHE A 37 1.630 8.000 -37.539 1.00 0.00 H new ATOM 0 HA PHE A 37 4.088 7.075 -36.224 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.931 9.017 -35.306 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.462 8.722 -34.507 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.604 9.377 -35.676 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.771 10.531 -37.133 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.650 11.141 -37.028 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.815 12.294 -38.489 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.258 12.600 -38.442 1.00 0.00 H new ATOM 550 N ALA A 38 2.999 5.224 -34.993 1.00 0.00 N ATOM 551 CA ALA A 38 2.435 4.170 -34.159 1.00 0.00 C ATOM 552 C ALA A 38 2.665 4.459 -32.680 1.00 0.00 C ATOM 553 O ALA A 38 3.676 5.052 -32.302 1.00 0.00 O ATOM 554 CB ALA A 38 3.034 2.823 -34.535 1.00 0.00 C ATOM 0 H ALA A 38 3.927 5.018 -35.363 1.00 0.00 H new ATOM 0 HA ALA A 38 1.359 4.138 -34.333 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.604 2.045 -33.904 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.814 2.606 -35.580 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.114 2.852 -34.390 1.00 0.00 H new ATOM 560 N CYS A 39 1.720 4.037 -31.846 1.00 0.00 N ATOM 561 CA CYS A 39 1.818 4.251 -30.407 1.00 0.00 C ATOM 562 C CYS A 39 2.850 3.314 -29.786 1.00 0.00 C ATOM 563 O CYS A 39 2.923 2.136 -30.136 1.00 0.00 O ATOM 564 CB CYS A 39 0.456 4.038 -29.744 1.00 0.00 C ATOM 565 SG CYS A 39 0.474 4.219 -27.932 1.00 0.00 S ATOM 0 H CYS A 39 0.877 3.545 -32.142 1.00 0.00 H new ATOM 0 HA CYS A 39 2.139 5.279 -30.240 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.255 4.750 -30.162 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.094 3.041 -29.995 1.00 0.00 H new ATOM 0 HG CYS A 39 -0.744 4.177 -27.480 1.00 0.00 H new ATOM 570 N ASP A 40 3.645 3.845 -28.864 1.00 0.00 N ATOM 571 CA ASP A 40 4.672 3.057 -28.194 1.00 0.00 C ATOM 572 C ASP A 40 4.097 2.336 -26.979 1.00 0.00 C ATOM 573 O ASP A 40 4.829 1.957 -26.064 1.00 0.00 O ATOM 574 CB ASP A 40 5.836 3.953 -27.766 1.00 0.00 C ATOM 575 CG ASP A 40 7.145 3.195 -27.668 1.00 0.00 C ATOM 576 OD1 ASP A 40 7.750 2.916 -28.725 1.00 0.00 O ATOM 577 OD2 ASP A 40 7.565 2.881 -26.535 1.00 0.00 O ATOM 0 H ASP A 40 3.598 4.819 -28.563 1.00 0.00 H new ATOM 0 HA ASP A 40 5.038 2.310 -28.898 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.945 4.769 -28.481 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.608 4.404 -26.800 1.00 0.00 H new ATOM 582 N TYR A 41 2.782 2.150 -26.976 1.00 0.00 N ATOM 583 CA TYR A 41 2.107 1.477 -25.872 1.00 0.00 C ATOM 584 C TYR A 41 1.177 0.383 -26.387 1.00 0.00 C ATOM 585 O TYR A 41 0.980 -0.641 -25.732 1.00 0.00 O ATOM 586 CB TYR A 41 1.314 2.487 -25.040 1.00 0.00 C ATOM 587 CG TYR A 41 2.169 3.578 -24.437 1.00 0.00 C ATOM 588 CD1 TYR A 41 2.915 4.429 -25.243 1.00 0.00 C ATOM 589 CD2 TYR A 41 2.230 3.759 -23.060 1.00 0.00 C ATOM 590 CE1 TYR A 41 3.698 5.427 -24.695 1.00 0.00 C ATOM 591 CE2 TYR A 41 3.009 4.755 -22.504 1.00 0.00 C ATOM 592 CZ TYR A 41 3.741 5.586 -23.326 1.00 0.00 C ATOM 593 OH TYR A 41 4.519 6.580 -22.777 1.00 0.00 O ATOM 0 H TYR A 41 2.162 2.456 -27.726 1.00 0.00 H new ATOM 0 HA TYR A 41 2.867 1.015 -25.242 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.549 2.942 -25.669 1.00 0.00 H new ATOM 0 HB3 TYR A 41 0.796 1.959 -24.240 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.882 4.308 -26.316 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.658 3.110 -22.414 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.273 6.079 -25.336 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.045 4.882 -21.432 1.00 0.00 H new ATOM 0 HH TYR A 41 4.437 6.558 -21.801 1.00 0.00 H new ATOM 603 N CYS A 42 0.606 0.608 -27.566 1.00 0.00 N ATOM 604 CA CYS A 42 -0.304 -0.356 -28.172 1.00 0.00 C ATOM 605 C CYS A 42 -0.153 -0.367 -29.691 1.00 0.00 C ATOM 606 O CYS A 42 0.715 0.308 -30.243 1.00 0.00 O ATOM 607 CB CYS A 42 -1.750 -0.032 -27.794 1.00 0.00 C ATOM 608 SG CYS A 42 -2.357 1.549 -28.466 1.00 0.00 S ATOM 0 H CYS A 42 0.758 1.450 -28.121 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.050 -1.346 -27.792 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.396 -0.836 -28.147 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.834 -0.009 -26.707 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.425 2.449 -28.366 1.00 0.00 H new ATOM 613 N SER A 43 -1.006 -1.137 -30.359 1.00 0.00 N ATOM 614 CA SER A 43 -0.966 -1.238 -31.813 1.00 0.00 C ATOM 615 C SER A 43 -1.742 -0.094 -32.459 1.00 0.00 C ATOM 616 O SER A 43 -2.398 -0.275 -33.485 1.00 0.00 O ATOM 617 CB SER A 43 -1.542 -2.581 -32.268 1.00 0.00 C ATOM 618 OG SER A 43 -1.461 -2.720 -33.676 1.00 0.00 O ATOM 0 H SER A 43 -1.733 -1.700 -29.917 1.00 0.00 H new ATOM 0 HA SER A 43 0.075 -1.171 -32.129 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.999 -3.395 -31.787 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.582 -2.661 -31.951 1.00 0.00 H new ATOM 0 HG SER A 43 -1.843 -1.926 -34.106 1.00 0.00 H new ATOM 624 N PHE A 44 -1.662 1.084 -31.850 1.00 0.00 N ATOM 625 CA PHE A 44 -2.357 2.259 -32.364 1.00 0.00 C ATOM 626 C PHE A 44 -1.486 3.011 -33.366 1.00 0.00 C ATOM 627 O PHE A 44 -0.263 2.865 -33.377 1.00 0.00 O ATOM 628 CB PHE A 44 -2.750 3.188 -31.214 1.00 0.00 C ATOM 629 CG PHE A 44 -3.271 4.521 -31.672 1.00 0.00 C ATOM 630 CD1 PHE A 44 -4.623 4.703 -31.917 1.00 0.00 C ATOM 631 CD2 PHE A 44 -2.410 5.590 -31.856 1.00 0.00 C ATOM 632 CE1 PHE A 44 -5.105 5.928 -32.339 1.00 0.00 C ATOM 633 CE2 PHE A 44 -2.887 6.818 -32.277 1.00 0.00 C ATOM 634 CZ PHE A 44 -4.236 6.987 -32.518 1.00 0.00 C ATOM 0 H PHE A 44 -1.123 1.251 -31.000 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.259 1.923 -32.875 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.511 2.699 -30.606 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.883 3.346 -30.573 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.307 3.879 -31.777 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.354 5.463 -31.669 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.160 6.057 -32.529 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.205 7.644 -32.417 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.611 7.945 -32.846 1.00 0.00 H new ATOM 644 N THR A 45 -2.125 3.818 -34.208 1.00 0.00 N ATOM 645 CA THR A 45 -1.410 4.592 -35.215 1.00 0.00 C ATOM 646 C THR A 45 -2.148 5.886 -35.539 1.00 0.00 C ATOM 647 O THR A 45 -3.363 5.981 -35.359 1.00 0.00 O ATOM 648 CB THR A 45 -1.218 3.785 -36.513 1.00 0.00 C ATOM 649 OG1 THR A 45 -2.450 3.159 -36.887 1.00 0.00 O ATOM 650 CG2 THR A 45 -0.139 2.728 -36.337 1.00 0.00 C ATOM 0 H THR A 45 -3.136 3.952 -34.212 1.00 0.00 H new ATOM 0 HA THR A 45 -0.432 4.829 -34.796 1.00 0.00 H new ATOM 0 HB THR A 45 -0.907 4.472 -37.300 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.320 2.649 -37.714 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.021 2.171 -37.266 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.804 3.210 -36.081 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.426 2.045 -35.538 1.00 0.00 H new ATOM 658 N CYS A 46 -1.408 6.880 -36.018 1.00 0.00 N ATOM 659 CA CYS A 46 -1.993 8.169 -36.368 1.00 0.00 C ATOM 660 C CYS A 46 -1.174 8.862 -37.452 1.00 0.00 C ATOM 661 O CYS A 46 0.054 8.768 -37.472 1.00 0.00 O ATOM 662 CB CYS A 46 -2.085 9.064 -35.131 1.00 0.00 C ATOM 663 SG CYS A 46 -3.464 10.232 -35.164 1.00 0.00 S ATOM 0 H CYS A 46 -0.402 6.818 -36.173 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.997 7.991 -36.754 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.178 8.434 -34.246 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.154 9.621 -35.029 1.00 0.00 H new ATOM 0 HG CYS A 46 -4.127 10.152 -34.049 1.00 0.00 H new ATOM 669 N LEU A 47 -1.861 9.557 -38.352 1.00 0.00 N ATOM 670 CA LEU A 47 -1.197 10.265 -39.441 1.00 0.00 C ATOM 671 C LEU A 47 -0.568 11.563 -38.943 1.00 0.00 C ATOM 672 O LEU A 47 0.418 12.041 -39.503 1.00 0.00 O ATOM 673 CB LEU A 47 -2.193 10.565 -40.563 1.00 0.00 C ATOM 674 CG LEU A 47 -2.970 9.366 -41.108 1.00 0.00 C ATOM 675 CD1 LEU A 47 -4.019 9.822 -42.111 1.00 0.00 C ATOM 676 CD2 LEU A 47 -2.022 8.360 -41.743 1.00 0.00 C ATOM 0 H LEU A 47 -2.877 9.645 -38.349 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.405 9.624 -39.829 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.909 11.302 -40.199 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.652 11.028 -41.388 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.480 8.879 -40.277 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.562 8.956 -42.489 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.716 10.504 -41.624 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.531 10.334 -42.940 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.592 7.514 -42.125 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.484 8.835 -42.563 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.310 8.010 -40.996 1.00 0.00 H new ATOM 688 N SER A 48 -1.145 12.126 -37.886 1.00 0.00 N ATOM 689 CA SER A 48 -0.642 13.370 -37.314 1.00 0.00 C ATOM 690 C SER A 48 0.000 13.120 -35.952 1.00 0.00 C ATOM 691 O SER A 48 -0.658 13.213 -34.916 1.00 0.00 O ATOM 692 CB SER A 48 -1.776 14.388 -37.177 1.00 0.00 C ATOM 693 OG SER A 48 -2.749 13.945 -36.247 1.00 0.00 O ATOM 0 H SER A 48 -1.960 11.741 -37.409 1.00 0.00 H new ATOM 0 HA SER A 48 0.117 13.771 -37.986 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.371 15.347 -36.855 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.244 14.549 -38.148 1.00 0.00 H new ATOM 0 HG SER A 48 -2.302 13.540 -35.474 1.00 0.00 H new ATOM 699 N LYS A 49 1.290 12.803 -35.963 1.00 0.00 N ATOM 700 CA LYS A 49 2.024 12.541 -34.731 1.00 0.00 C ATOM 701 C LYS A 49 1.471 13.375 -33.580 1.00 0.00 C ATOM 702 O LYS A 49 1.389 12.907 -32.445 1.00 0.00 O ATOM 703 CB LYS A 49 3.512 12.844 -34.925 1.00 0.00 C ATOM 704 CG LYS A 49 3.777 14.034 -35.830 1.00 0.00 C ATOM 705 CD LYS A 49 3.843 15.332 -35.042 1.00 0.00 C ATOM 706 CE LYS A 49 3.341 16.509 -35.863 1.00 0.00 C ATOM 707 NZ LYS A 49 3.632 17.811 -35.201 1.00 0.00 N ATOM 0 H LYS A 49 1.849 12.721 -36.812 1.00 0.00 H new ATOM 0 HA LYS A 49 1.903 11.486 -34.483 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.966 13.030 -33.952 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.002 11.964 -35.343 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.715 13.884 -36.364 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.990 14.103 -36.581 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.246 15.239 -34.135 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.871 15.517 -34.729 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.807 16.490 -36.848 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.266 16.412 -36.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.274 18.588 -35.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.166 17.840 -34.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.659 17.915 -35.077 1.00 0.00 H new ATOM 721 N GLY A 50 1.089 14.613 -33.881 1.00 0.00 N ATOM 722 CA GLY A 50 0.547 15.491 -32.861 1.00 0.00 C ATOM 723 C GLY A 50 -0.576 14.842 -32.075 1.00 0.00 C ATOM 724 O GLY A 50 -0.566 14.849 -30.844 1.00 0.00 O ATOM 0 H GLY A 50 1.145 15.023 -34.813 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.344 15.783 -32.177 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.178 16.403 -33.330 1.00 0.00 H new ATOM 728 N HIS A 51 -1.548 14.281 -32.788 1.00 0.00 N ATOM 729 CA HIS A 51 -2.684 13.627 -32.148 1.00 0.00 C ATOM 730 C HIS A 51 -2.238 12.373 -31.402 1.00 0.00 C ATOM 731 O HIS A 51 -2.731 12.079 -30.312 1.00 0.00 O ATOM 732 CB HIS A 51 -3.743 13.265 -33.190 1.00 0.00 C ATOM 733 CG HIS A 51 -5.141 13.285 -32.654 1.00 0.00 C ATOM 734 ND1 HIS A 51 -6.245 13.545 -33.439 1.00 0.00 N ATOM 735 CD2 HIS A 51 -5.613 13.072 -31.403 1.00 0.00 C ATOM 736 CE1 HIS A 51 -7.334 13.494 -32.693 1.00 0.00 C ATOM 737 NE2 HIS A 51 -6.978 13.208 -31.454 1.00 0.00 N ATOM 0 H HIS A 51 -1.572 14.266 -33.808 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.116 14.323 -31.428 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.673 13.962 -34.025 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.528 12.272 -33.585 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.025 12.839 -30.528 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.344 13.658 -33.038 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.614 13.105 -30.663 1.00 0.00 H new ATOM 745 N LEU A 52 -1.305 11.637 -31.995 1.00 0.00 N ATOM 746 CA LEU A 52 -0.794 10.413 -31.387 1.00 0.00 C ATOM 747 C LEU A 52 -0.395 10.653 -29.935 1.00 0.00 C ATOM 748 O LEU A 52 -0.515 9.765 -29.091 1.00 0.00 O ATOM 749 CB LEU A 52 0.406 9.890 -32.178 1.00 0.00 C ATOM 750 CG LEU A 52 1.285 8.863 -31.463 1.00 0.00 C ATOM 751 CD1 LEU A 52 0.503 7.587 -31.192 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.531 8.564 -32.284 1.00 0.00 C ATOM 0 H LEU A 52 -0.887 11.866 -32.897 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.588 9.667 -31.408 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.040 9.444 -33.103 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.029 10.739 -32.459 1.00 0.00 H new ATOM 0 HG LEU A 52 1.597 9.283 -30.507 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.145 6.868 -30.683 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.358 7.814 -30.563 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.161 7.163 -32.136 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.145 7.831 -31.760 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.239 8.165 -33.256 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.102 9.481 -32.425 1.00 0.00 H new ATOM 764 N LYS A 53 0.079 11.861 -29.649 1.00 0.00 N ATOM 765 CA LYS A 53 0.493 12.221 -28.298 1.00 0.00 C ATOM 766 C LYS A 53 -0.701 12.238 -27.349 1.00 0.00 C ATOM 767 O LYS A 53 -0.607 11.784 -26.208 1.00 0.00 O ATOM 768 CB LYS A 53 1.176 13.591 -28.299 1.00 0.00 C ATOM 769 CG LYS A 53 0.951 14.384 -27.024 1.00 0.00 C ATOM 770 CD LYS A 53 1.324 15.846 -27.203 1.00 0.00 C ATOM 771 CE LYS A 53 0.409 16.758 -26.400 1.00 0.00 C ATOM 772 NZ LYS A 53 -0.771 17.199 -27.194 1.00 0.00 N ATOM 0 H LYS A 53 0.186 12.608 -30.335 1.00 0.00 H new ATOM 0 HA LYS A 53 1.201 11.469 -27.950 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.247 13.453 -28.447 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.809 14.170 -29.146 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.095 14.308 -26.727 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.543 13.953 -26.217 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.357 16.000 -26.891 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.267 16.110 -28.259 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.070 16.236 -25.505 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.969 17.632 -26.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.370 17.819 -26.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.449 17.720 -28.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.320 16.367 -27.491 1.00 0.00 H new ATOM 786 N VAL A 54 -1.825 12.762 -27.828 1.00 0.00 N ATOM 787 CA VAL A 54 -3.038 12.836 -27.023 1.00 0.00 C ATOM 788 C VAL A 54 -3.587 11.444 -26.728 1.00 0.00 C ATOM 789 O VAL A 54 -4.114 11.190 -25.645 1.00 0.00 O ATOM 790 CB VAL A 54 -4.128 13.667 -27.726 1.00 0.00 C ATOM 791 CG1 VAL A 54 -5.415 13.654 -26.915 1.00 0.00 C ATOM 792 CG2 VAL A 54 -3.647 15.091 -27.955 1.00 0.00 C ATOM 0 H VAL A 54 -1.920 13.142 -28.770 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.767 13.323 -26.086 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.334 13.217 -28.697 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.174 14.246 -27.427 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.767 12.628 -26.807 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.228 14.079 -25.929 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.430 15.664 -28.453 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.412 15.554 -26.997 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.754 15.077 -28.580 1.00 0.00 H new ATOM 802 N HIS A 55 -3.458 10.545 -27.699 1.00 0.00 N ATOM 803 CA HIS A 55 -3.940 9.177 -27.543 1.00 0.00 C ATOM 804 C HIS A 55 -3.357 8.536 -26.287 1.00 0.00 C ATOM 805 O HIS A 55 -4.043 7.797 -25.581 1.00 0.00 O ATOM 806 CB HIS A 55 -3.577 8.343 -28.771 1.00 0.00 C ATOM 807 CG HIS A 55 -3.507 6.872 -28.497 1.00 0.00 C ATOM 808 ND1 HIS A 55 -4.616 6.052 -28.502 1.00 0.00 N ATOM 809 CD2 HIS A 55 -2.453 6.074 -28.211 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.247 4.814 -28.229 1.00 0.00 C ATOM 811 NE2 HIS A 55 -2.938 4.800 -28.048 1.00 0.00 N ATOM 0 H HIS A 55 -3.024 10.739 -28.601 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.025 9.209 -27.443 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.314 8.524 -29.553 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.614 8.679 -29.156 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.572 6.355 -28.688 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.421 6.382 -28.127 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.903 3.959 -28.165 1.00 0.00 H new ATOM 819 N ILE A 56 -2.088 8.823 -26.016 1.00 0.00 N ATOM 820 CA ILE A 56 -1.414 8.274 -24.846 1.00 0.00 C ATOM 821 C ILE A 56 -1.833 9.007 -23.576 1.00 0.00 C ATOM 822 O ILE A 56 -1.849 8.428 -22.491 1.00 0.00 O ATOM 823 CB ILE A 56 0.117 8.354 -24.990 1.00 0.00 C ATOM 824 CG1 ILE A 56 0.580 7.546 -26.204 1.00 0.00 C ATOM 825 CG2 ILE A 56 0.795 7.851 -23.724 1.00 0.00 C ATOM 826 CD1 ILE A 56 1.893 8.025 -26.784 1.00 0.00 C ATOM 0 H ILE A 56 -1.506 9.432 -26.591 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.710 7.227 -24.773 1.00 0.00 H new ATOM 0 HB ILE A 56 0.399 9.396 -25.141 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.679 6.499 -25.917 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.188 7.593 -26.976 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.877 7.914 -23.841 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.486 8.464 -22.877 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.509 6.815 -23.545 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.159 7.407 -27.641 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.793 9.063 -27.102 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.674 7.951 -26.027 1.00 0.00 H new ATOM 838 N GLU A 57 -2.173 10.284 -23.722 1.00 0.00 N ATOM 839 CA GLU A 57 -2.594 11.096 -22.585 1.00 0.00 C ATOM 840 C GLU A 57 -4.068 10.864 -22.267 1.00 0.00 C ATOM 841 O GLU A 57 -4.569 11.312 -21.236 1.00 0.00 O ATOM 842 CB GLU A 57 -2.349 12.579 -22.871 1.00 0.00 C ATOM 843 CG GLU A 57 -0.892 12.915 -23.140 1.00 0.00 C ATOM 844 CD GLU A 57 -0.538 14.335 -22.743 1.00 0.00 C ATOM 845 OE1 GLU A 57 -1.209 14.886 -21.846 1.00 0.00 O ATOM 846 OE2 GLU A 57 0.412 14.895 -23.330 1.00 0.00 O ATOM 0 H GLU A 57 -2.165 10.778 -24.614 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.003 10.798 -21.719 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.947 12.878 -23.732 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.698 13.166 -22.022 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.256 12.219 -22.593 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.680 12.775 -24.200 1.00 0.00 H new ATOM 853 N ARG A 58 -4.757 10.162 -23.161 1.00 0.00 N ATOM 854 CA ARG A 58 -6.174 9.873 -22.978 1.00 0.00 C ATOM 855 C ARG A 58 -6.401 8.378 -22.768 1.00 0.00 C ATOM 856 O ARG A 58 -7.290 7.974 -22.019 1.00 0.00 O ATOM 857 CB ARG A 58 -6.976 10.357 -24.187 1.00 0.00 C ATOM 858 CG ARG A 58 -7.156 9.297 -25.262 1.00 0.00 C ATOM 859 CD ARG A 58 -7.437 9.923 -26.619 1.00 0.00 C ATOM 860 NE ARG A 58 -8.787 10.476 -26.698 1.00 0.00 N ATOM 861 CZ ARG A 58 -9.428 10.687 -27.842 1.00 0.00 C ATOM 862 NH1 ARG A 58 -8.847 10.392 -28.997 1.00 0.00 N ATOM 863 NH2 ARG A 58 -10.655 11.193 -27.832 1.00 0.00 N ATOM 0 H ARG A 58 -4.357 9.783 -24.019 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.515 10.403 -22.089 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.957 10.692 -23.851 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.475 11.222 -24.622 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.258 8.682 -25.322 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.978 8.635 -24.988 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.710 10.712 -26.812 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.307 9.172 -27.398 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.263 10.713 -25.828 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.905 10.002 -29.009 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.342 10.555 -29.874 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.106 11.420 -26.946 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.147 11.355 -28.711 1.00 0.00 H new ATOM 877 N VAL A 59 -5.591 7.563 -23.436 1.00 0.00 N ATOM 878 CA VAL A 59 -5.702 6.114 -23.323 1.00 0.00 C ATOM 879 C VAL A 59 -4.736 5.568 -22.277 1.00 0.00 C ATOM 880 O VAL A 59 -5.153 4.991 -21.273 1.00 0.00 O ATOM 881 CB VAL A 59 -5.426 5.423 -24.671 1.00 0.00 C ATOM 882 CG1 VAL A 59 -5.465 3.910 -24.514 1.00 0.00 C ATOM 883 CG2 VAL A 59 -6.426 5.884 -25.721 1.00 0.00 C ATOM 0 H VAL A 59 -4.851 7.882 -24.061 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.725 5.898 -23.016 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.427 5.704 -25.005 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.268 3.439 -25.477 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.706 3.599 -23.796 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.449 3.607 -24.157 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.216 5.385 -26.667 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.436 5.634 -25.396 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.344 6.963 -25.853 1.00 0.00 H new ATOM 893 N HIS A 60 -3.443 5.755 -22.520 1.00 0.00 N ATOM 894 CA HIS A 60 -2.416 5.282 -21.598 1.00 0.00 C ATOM 895 C HIS A 60 -2.014 6.383 -20.621 1.00 0.00 C ATOM 896 O HIS A 60 -0.828 6.615 -20.383 1.00 0.00 O ATOM 897 CB HIS A 60 -1.189 4.799 -22.372 1.00 0.00 C ATOM 898 CG HIS A 60 -1.524 3.915 -23.534 1.00 0.00 C ATOM 899 ND1 HIS A 60 -1.825 2.576 -23.399 1.00 0.00 N ATOM 900 CD2 HIS A 60 -1.607 4.185 -24.857 1.00 0.00 C ATOM 901 CE1 HIS A 60 -2.076 2.061 -24.589 1.00 0.00 C ATOM 902 NE2 HIS A 60 -1.951 3.017 -25.491 1.00 0.00 N ATOM 0 H HIS A 60 -3.081 6.230 -23.347 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.829 4.449 -21.030 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -0.633 5.664 -22.733 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.531 4.258 -21.692 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.435 5.142 -25.327 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.339 1.033 -24.790 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.088 2.906 -26.496 1.00 0.00 H new ATOM 910 N LYS A 61 -3.009 7.061 -20.059 1.00 0.00 N ATOM 911 CA LYS A 61 -2.761 8.137 -19.107 1.00 0.00 C ATOM 912 C LYS A 61 -2.670 7.596 -17.684 1.00 0.00 C ATOM 913 O LYS A 61 -3.602 6.963 -17.189 1.00 0.00 O ATOM 914 CB LYS A 61 -3.870 9.188 -19.195 1.00 0.00 C ATOM 915 CG LYS A 61 -3.461 10.549 -18.658 1.00 0.00 C ATOM 916 CD LYS A 61 -3.605 10.619 -17.147 1.00 0.00 C ATOM 917 CE LYS A 61 -5.055 10.821 -16.734 1.00 0.00 C ATOM 918 NZ LYS A 61 -5.773 9.526 -16.577 1.00 0.00 N ATOM 0 H LYS A 61 -3.996 6.884 -20.247 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.808 8.600 -19.361 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.177 9.294 -20.236 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.739 8.834 -18.641 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.427 10.755 -18.936 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.075 11.323 -19.119 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.223 9.701 -16.701 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.998 11.437 -16.760 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.091 11.373 -15.795 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.564 11.430 -17.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.331 9.543 -15.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.407 9.380 -17.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.083 8.749 -16.533 1.00 0.00 H new ATOM 995 N GLN A 65 5.048 3.427 -16.061 1.00 0.00 N ATOM 996 CA GLN A 65 6.090 3.563 -17.071 1.00 0.00 C ATOM 997 C GLN A 65 7.234 2.589 -16.808 1.00 0.00 C ATOM 998 O GLN A 65 7.893 2.655 -15.770 1.00 0.00 O ATOM 999 CB GLN A 65 6.622 4.997 -17.096 1.00 0.00 C ATOM 1000 CG GLN A 65 5.875 5.907 -18.058 1.00 0.00 C ATOM 1001 CD GLN A 65 4.584 6.442 -17.472 1.00 0.00 C ATOM 1002 OE1 GLN A 65 3.510 6.279 -18.052 1.00 0.00 O ATOM 1003 NE2 GLN A 65 4.681 7.087 -16.315 1.00 0.00 N ATOM 0 HA GLN A 65 5.652 3.328 -18.041 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.561 5.416 -16.092 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.677 4.980 -17.371 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.518 6.743 -18.335 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.654 5.358 -18.974 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.591 7.199 -15.869 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.845 7.470 -15.873 1.00 0.00 H new ATOM 1012 N HIS A 66 7.464 1.685 -17.755 1.00 0.00 N ATOM 1013 CA HIS A 66 8.529 0.697 -17.626 1.00 0.00 C ATOM 1014 C HIS A 66 9.461 0.741 -18.833 1.00 0.00 C ATOM 1015 O HIS A 66 9.072 0.381 -19.944 1.00 0.00 O ATOM 1016 CB HIS A 66 7.937 -0.705 -17.476 1.00 0.00 C ATOM 1017 CG HIS A 66 7.069 -1.115 -18.625 1.00 0.00 C ATOM 1018 ND1 HIS A 66 5.750 -0.734 -18.746 1.00 0.00 N ATOM 1019 CD2 HIS A 66 7.340 -1.877 -19.711 1.00 0.00 C ATOM 1020 CE1 HIS A 66 5.246 -1.245 -19.856 1.00 0.00 C ATOM 1021 NE2 HIS A 66 6.191 -1.943 -20.460 1.00 0.00 N ATOM 0 H HIS A 66 6.927 1.616 -18.620 1.00 0.00 H new ATOM 0 HA HIS A 66 9.107 0.937 -16.734 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.749 -1.424 -17.371 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.353 -0.747 -16.557 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.284 -2.346 -19.945 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.234 -1.114 -20.209 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.085 -2.449 -21.339 1.00 0.00 H new ATOM 1029 N CYS A 67 10.693 1.186 -18.607 1.00 0.00 N ATOM 1030 CA CYS A 67 11.680 1.279 -19.675 1.00 0.00 C ATOM 1031 C CYS A 67 11.711 -0.004 -20.501 1.00 0.00 C ATOM 1032 O CYS A 67 11.296 -1.065 -20.035 1.00 0.00 O ATOM 1033 CB CYS A 67 13.068 1.557 -19.093 1.00 0.00 C ATOM 1034 SG CYS A 67 14.238 2.293 -20.278 1.00 0.00 S ATOM 0 H CYS A 67 11.031 1.488 -17.693 1.00 0.00 H new ATOM 0 HA CYS A 67 11.395 2.104 -20.328 1.00 0.00 H new ATOM 0 HB2 CYS A 67 12.964 2.226 -18.238 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.487 0.623 -18.718 1.00 0.00 H new ATOM 0 HG CYS A 67 15.112 3.011 -19.636 1.00 0.00 H new ATOM 1039 N ARG A 68 12.206 0.102 -21.730 1.00 0.00 N ATOM 1040 CA ARG A 68 12.290 -1.048 -22.622 1.00 0.00 C ATOM 1041 C ARG A 68 13.732 -1.531 -22.752 1.00 0.00 C ATOM 1042 O ARG A 68 13.983 -2.665 -23.159 1.00 0.00 O ATOM 1043 CB ARG A 68 11.732 -0.693 -24.001 1.00 0.00 C ATOM 1044 CG ARG A 68 12.516 0.398 -24.712 1.00 0.00 C ATOM 1045 CD ARG A 68 13.677 -0.179 -25.508 1.00 0.00 C ATOM 1046 NE ARG A 68 13.307 -0.456 -26.893 1.00 0.00 N ATOM 1047 CZ ARG A 68 13.782 -1.482 -27.590 1.00 0.00 C ATOM 1048 NH1 ARG A 68 14.642 -2.324 -27.033 1.00 0.00 N ATOM 1049 NH2 ARG A 68 13.398 -1.668 -28.846 1.00 0.00 N ATOM 0 H ARG A 68 12.555 0.973 -22.131 1.00 0.00 H new ATOM 0 HA ARG A 68 11.693 -1.853 -22.193 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.726 -1.588 -24.623 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.696 -0.373 -23.893 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.853 0.948 -25.380 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.894 1.112 -23.980 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.513 0.521 -25.489 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.020 -1.098 -25.034 1.00 0.00 H new ATOM 0 HE ARG A 68 12.647 0.173 -27.351 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.940 -2.184 -26.068 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.006 -3.111 -27.570 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.737 -1.023 -29.278 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.764 -2.456 -29.380 1.00 0.00 H new ATOM 1063 N PHE A 69 14.675 -0.661 -22.406 1.00 0.00 N ATOM 1064 CA PHE A 69 16.091 -0.997 -22.486 1.00 0.00 C ATOM 1065 C PHE A 69 16.547 -1.736 -21.231 1.00 0.00 C ATOM 1066 O PHE A 69 17.123 -2.822 -21.311 1.00 0.00 O ATOM 1067 CB PHE A 69 16.928 0.270 -22.677 1.00 0.00 C ATOM 1068 CG PHE A 69 16.529 1.077 -23.879 1.00 0.00 C ATOM 1069 CD1 PHE A 69 17.042 0.779 -25.131 1.00 0.00 C ATOM 1070 CD2 PHE A 69 15.639 2.132 -23.758 1.00 0.00 C ATOM 1071 CE1 PHE A 69 16.677 1.520 -26.239 1.00 0.00 C ATOM 1072 CE2 PHE A 69 15.270 2.876 -24.862 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.789 2.569 -26.105 1.00 0.00 C ATOM 0 H PHE A 69 14.484 0.282 -22.068 1.00 0.00 H new ATOM 0 HA PHE A 69 16.235 -1.652 -23.345 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.839 0.892 -21.786 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.978 -0.008 -22.768 1.00 0.00 H new ATOM 0 HD1 PHE A 69 17.735 -0.042 -25.242 1.00 0.00 H new ATOM 0 HD2 PHE A 69 15.229 2.376 -22.789 1.00 0.00 H new ATOM 0 HE1 PHE A 69 17.086 1.279 -27.209 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.577 3.697 -24.753 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.501 3.148 -26.970 1.00 0.00 H new ATOM 1083 N CYS A 70 16.284 -1.141 -20.073 1.00 0.00 N ATOM 1084 CA CYS A 70 16.667 -1.740 -18.800 1.00 0.00 C ATOM 1085 C CYS A 70 15.443 -2.276 -18.062 1.00 0.00 C ATOM 1086 O CYS A 70 15.489 -2.518 -16.855 1.00 0.00 O ATOM 1087 CB CYS A 70 17.394 -0.715 -17.927 1.00 0.00 C ATOM 1088 SG CYS A 70 16.433 0.798 -17.600 1.00 0.00 S ATOM 0 H CYS A 70 15.807 -0.243 -19.990 1.00 0.00 H new ATOM 0 HA CYS A 70 17.340 -2.573 -19.006 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.652 -1.181 -16.976 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.331 -0.440 -18.412 1.00 0.00 H new ATOM 0 HG CYS A 70 15.759 1.122 -18.663 1.00 0.00 H new ATOM 1093 N LYS A 71 14.351 -2.461 -18.795 1.00 0.00 N ATOM 1094 CA LYS A 71 13.115 -2.970 -18.212 1.00 0.00 C ATOM 1095 C LYS A 71 12.925 -2.443 -16.793 1.00 0.00 C ATOM 1096 O LYS A 71 12.464 -3.165 -15.909 1.00 0.00 O ATOM 1097 CB LYS A 71 13.123 -4.500 -18.204 1.00 0.00 C ATOM 1098 CG LYS A 71 12.675 -5.118 -19.516 1.00 0.00 C ATOM 1099 CD LYS A 71 11.161 -5.125 -19.641 1.00 0.00 C ATOM 1100 CE LYS A 71 10.535 -6.208 -18.775 1.00 0.00 C ATOM 1101 NZ LYS A 71 9.051 -6.226 -18.897 1.00 0.00 N ATOM 0 H LYS A 71 14.296 -2.266 -19.795 1.00 0.00 H new ATOM 0 HA LYS A 71 12.283 -2.621 -18.824 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.130 -4.848 -17.973 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.472 -4.854 -17.405 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.107 -4.561 -20.348 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.051 -6.139 -19.586 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.766 -4.152 -19.350 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.882 -5.284 -20.683 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.935 -7.180 -19.063 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.812 -6.046 -17.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.662 -6.977 -18.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.667 -5.307 -18.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.786 -6.406 -19.886 1.00 0.00 H new ATOM 1115 N LYS A 72 13.282 -1.181 -16.582 1.00 0.00 N ATOM 1116 CA LYS A 72 13.149 -0.557 -15.272 1.00 0.00 C ATOM 1117 C LYS A 72 11.753 0.030 -15.088 1.00 0.00 C ATOM 1118 O LYS A 72 10.929 -0.002 -16.002 1.00 0.00 O ATOM 1119 CB LYS A 72 14.202 0.541 -15.097 1.00 0.00 C ATOM 1120 CG LYS A 72 15.537 0.027 -14.587 1.00 0.00 C ATOM 1121 CD LYS A 72 16.487 1.168 -14.265 1.00 0.00 C ATOM 1122 CE LYS A 72 17.790 0.657 -13.669 1.00 0.00 C ATOM 1123 NZ LYS A 72 17.724 0.571 -12.184 1.00 0.00 N ATOM 0 H LYS A 72 13.666 -0.570 -17.303 1.00 0.00 H new ATOM 0 HA LYS A 72 13.304 -1.325 -14.515 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.356 1.041 -16.053 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.822 1.290 -14.403 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.378 -0.578 -13.695 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.988 -0.623 -15.337 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.698 1.734 -15.172 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.010 1.854 -13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.016 -0.327 -14.080 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.606 1.319 -13.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.631 0.219 -11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.533 1.514 -11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.962 -0.080 -11.908 1.00 0.00 H new ATOM 1137 N LYS A 73 11.494 0.567 -13.900 1.00 0.00 N ATOM 1138 CA LYS A 73 10.198 1.163 -13.596 1.00 0.00 C ATOM 1139 C LYS A 73 10.349 2.640 -13.242 1.00 0.00 C ATOM 1140 O LYS A 73 11.337 3.043 -12.629 1.00 0.00 O ATOM 1141 CB LYS A 73 9.528 0.417 -12.441 1.00 0.00 C ATOM 1142 CG LYS A 73 8.012 0.389 -12.532 1.00 0.00 C ATOM 1143 CD LYS A 73 7.372 0.325 -11.156 1.00 0.00 C ATOM 1144 CE LYS A 73 5.917 0.768 -11.198 1.00 0.00 C ATOM 1145 NZ LYS A 73 5.102 0.096 -10.148 1.00 0.00 N ATOM 0 H LYS A 73 12.164 0.602 -13.132 1.00 0.00 H new ATOM 0 HA LYS A 73 9.571 1.082 -14.484 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.901 -0.607 -12.416 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.818 0.885 -11.500 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.662 1.278 -13.056 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.698 -0.473 -13.121 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.433 -0.693 -10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.927 0.960 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.862 1.848 -11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.498 0.547 -12.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.117 0.424 -10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.133 -0.934 -10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.486 0.327 -9.210 1.00 0.00 H new ATOM 1159 N TYR A 74 9.363 3.440 -13.631 1.00 0.00 N ATOM 1160 CA TYR A 74 9.386 4.871 -13.355 1.00 0.00 C ATOM 1161 C TYR A 74 7.976 5.405 -13.125 1.00 0.00 C ATOM 1162 O TYR A 74 7.116 5.317 -14.002 1.00 0.00 O ATOM 1163 CB TYR A 74 10.046 5.624 -14.512 1.00 0.00 C ATOM 1164 CG TYR A 74 11.555 5.522 -14.518 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.189 4.336 -14.869 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.346 6.610 -14.172 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.567 4.238 -14.875 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.725 6.522 -14.177 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.331 5.334 -14.529 1.00 0.00 C ATOM 1170 OH TYR A 74 15.703 5.241 -14.534 1.00 0.00 O ATOM 0 H TYR A 74 8.538 3.122 -14.139 1.00 0.00 H new ATOM 0 HA TYR A 74 9.968 5.030 -12.447 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.660 5.236 -15.454 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.761 6.675 -14.460 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.594 3.477 -15.142 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.875 7.541 -13.894 1.00 0.00 H new ATOM 0 HE1 TYR A 74 14.044 3.309 -15.149 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.325 7.379 -13.907 1.00 0.00 H new ATOM 0 HH TYR A 74 16.090 6.101 -14.267 1.00 0.00 H new ATOM 1180 N SER A 75 7.746 5.960 -11.939 1.00 0.00 N ATOM 1181 CA SER A 75 6.440 6.506 -11.591 1.00 0.00 C ATOM 1182 C SER A 75 6.007 7.566 -12.600 1.00 0.00 C ATOM 1183 O SER A 75 4.920 7.486 -13.173 1.00 0.00 O ATOM 1184 CB SER A 75 6.473 7.108 -10.185 1.00 0.00 C ATOM 1185 OG SER A 75 6.590 6.097 -9.200 1.00 0.00 O ATOM 0 H SER A 75 8.447 6.043 -11.203 1.00 0.00 H new ATOM 0 HA SER A 75 5.716 5.691 -11.613 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.311 7.800 -10.102 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.565 7.685 -10.012 1.00 0.00 H new ATOM 0 HG SER A 75 6.611 6.508 -8.310 1.00 0.00 H new ATOM 1191 N ASP A 76 6.866 8.557 -12.812 1.00 0.00 N ATOM 1192 CA ASP A 76 6.575 9.633 -13.753 1.00 0.00 C ATOM 1193 C ASP A 76 7.278 9.395 -15.085 1.00 0.00 C ATOM 1194 O ASP A 76 8.470 9.091 -15.125 1.00 0.00 O ATOM 1195 CB ASP A 76 7.004 10.979 -13.169 1.00 0.00 C ATOM 1196 CG ASP A 76 5.917 11.620 -12.328 1.00 0.00 C ATOM 1197 OD1 ASP A 76 4.733 11.271 -12.523 1.00 0.00 O ATOM 1198 OD2 ASP A 76 6.249 12.469 -11.475 1.00 0.00 O ATOM 0 H ASP A 76 7.769 8.638 -12.345 1.00 0.00 H new ATOM 0 HA ASP A 76 5.499 9.648 -13.929 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.896 10.839 -12.559 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.276 11.654 -13.981 1.00 0.00 H new ATOM 1203 N VAL A 77 6.530 9.534 -16.176 1.00 0.00 N ATOM 1204 CA VAL A 77 7.082 9.334 -17.511 1.00 0.00 C ATOM 1205 C VAL A 77 8.084 10.428 -17.861 1.00 0.00 C ATOM 1206 O VAL A 77 9.112 10.166 -18.486 1.00 0.00 O ATOM 1207 CB VAL A 77 5.972 9.309 -18.579 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.219 10.631 -18.597 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.557 9.000 -19.948 1.00 0.00 C ATOM 0 H VAL A 77 5.541 9.784 -16.161 1.00 0.00 H new ATOM 0 HA VAL A 77 7.590 8.370 -17.502 1.00 0.00 H new ATOM 0 HB VAL A 77 5.265 8.519 -18.325 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.439 10.595 -19.357 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.767 10.805 -17.621 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.911 11.441 -18.826 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.759 8.986 -20.690 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.286 9.766 -20.213 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.046 8.026 -19.923 1.00 0.00 H new ATOM 1219 N LYS A 78 7.779 11.655 -17.454 1.00 0.00 N ATOM 1220 CA LYS A 78 8.653 12.790 -17.722 1.00 0.00 C ATOM 1221 C LYS A 78 10.111 12.428 -17.458 1.00 0.00 C ATOM 1222 O LYS A 78 10.978 12.654 -18.301 1.00 0.00 O ATOM 1223 CB LYS A 78 8.249 13.987 -16.857 1.00 0.00 C ATOM 1224 CG LYS A 78 7.105 14.799 -17.439 1.00 0.00 C ATOM 1225 CD LYS A 78 6.644 15.881 -16.477 1.00 0.00 C ATOM 1226 CE LYS A 78 6.064 17.076 -17.218 1.00 0.00 C ATOM 1227 NZ LYS A 78 6.016 18.292 -16.359 1.00 0.00 N ATOM 0 H LYS A 78 6.932 11.889 -16.937 1.00 0.00 H new ATOM 0 HA LYS A 78 8.548 13.057 -18.773 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.963 13.630 -15.868 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.114 14.637 -16.724 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.422 15.255 -18.377 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.270 14.138 -17.672 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.894 15.472 -15.800 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.484 16.205 -15.863 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.665 17.281 -18.104 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.059 16.836 -17.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.615 19.084 -16.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.422 18.106 -15.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.978 18.537 -16.050 1.00 0.00 H new ATOM 1241 N ASN A 79 10.373 11.865 -16.283 1.00 0.00 N ATOM 1242 CA ASN A 79 11.727 11.471 -15.910 1.00 0.00 C ATOM 1243 C ASN A 79 12.257 10.390 -16.847 1.00 0.00 C ATOM 1244 O ASN A 79 13.342 10.523 -17.416 1.00 0.00 O ATOM 1245 CB ASN A 79 11.754 10.967 -14.465 1.00 0.00 C ATOM 1246 CG ASN A 79 11.291 12.021 -13.477 1.00 0.00 C ATOM 1247 OD1 ASN A 79 11.840 13.122 -13.424 1.00 0.00 O ATOM 1248 ND2 ASN A 79 10.277 11.686 -12.687 1.00 0.00 N ATOM 0 H ASN A 79 9.666 11.671 -15.573 1.00 0.00 H new ATOM 0 HA ASN A 79 12.370 12.347 -15.995 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.117 10.087 -14.378 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.767 10.654 -14.211 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.923 12.353 -12.001 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.853 10.762 -12.766 1.00 0.00 H new ATOM 1255 N LEU A 80 11.485 9.320 -17.003 1.00 0.00 N ATOM 1256 CA LEU A 80 11.876 8.216 -17.872 1.00 0.00 C ATOM 1257 C LEU A 80 12.469 8.734 -19.179 1.00 0.00 C ATOM 1258 O LEU A 80 13.496 8.240 -19.644 1.00 0.00 O ATOM 1259 CB LEU A 80 10.671 7.320 -18.165 1.00 0.00 C ATOM 1260 CG LEU A 80 10.904 6.187 -19.165 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.844 5.145 -18.581 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.581 5.550 -19.567 1.00 0.00 C ATOM 0 H LEU A 80 10.585 9.194 -16.539 1.00 0.00 H new ATOM 0 HA LEU A 80 12.638 7.632 -17.355 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.331 6.884 -17.226 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.860 7.946 -18.538 1.00 0.00 H new ATOM 0 HG LEU A 80 11.369 6.606 -20.058 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.998 4.346 -19.307 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.801 5.610 -18.345 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.408 4.730 -17.672 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.766 4.746 -20.279 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.088 5.146 -18.683 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.940 6.302 -20.027 1.00 0.00 H new ATOM 1274 N ILE A 81 11.815 9.732 -19.764 1.00 0.00 N ATOM 1275 CA ILE A 81 12.280 10.319 -21.015 1.00 0.00 C ATOM 1276 C ILE A 81 13.745 10.731 -20.918 1.00 0.00 C ATOM 1277 O ILE A 81 14.569 10.332 -21.740 1.00 0.00 O ATOM 1278 CB ILE A 81 11.438 11.547 -21.407 1.00 0.00 C ATOM 1279 CG1 ILE A 81 9.955 11.176 -21.475 1.00 0.00 C ATOM 1280 CG2 ILE A 81 11.910 12.110 -22.740 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.639 10.142 -22.533 1.00 0.00 C ATOM 0 H ILE A 81 10.962 10.151 -19.392 1.00 0.00 H new ATOM 0 HA ILE A 81 12.171 9.553 -21.783 1.00 0.00 H new ATOM 0 HB ILE A 81 11.567 12.315 -20.644 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.638 10.798 -20.503 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.372 12.076 -21.672 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.305 12.978 -23.003 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.955 12.408 -22.660 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.808 11.348 -23.513 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.570 9.927 -22.524 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.924 10.525 -23.513 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.194 9.227 -22.325 1.00 0.00 H new ATOM 1293 N LYS A 82 14.063 11.531 -19.906 1.00 0.00 N ATOM 1294 CA LYS A 82 15.429 11.996 -19.698 1.00 0.00 C ATOM 1295 C LYS A 82 16.369 10.823 -19.435 1.00 0.00 C ATOM 1296 O LYS A 82 17.432 10.718 -20.047 1.00 0.00 O ATOM 1297 CB LYS A 82 15.483 12.979 -18.526 1.00 0.00 C ATOM 1298 CG LYS A 82 16.724 13.854 -18.523 1.00 0.00 C ATOM 1299 CD LYS A 82 16.521 15.106 -17.685 1.00 0.00 C ATOM 1300 CE LYS A 82 15.901 16.229 -18.502 1.00 0.00 C ATOM 1301 NZ LYS A 82 14.423 16.085 -18.612 1.00 0.00 N ATOM 0 H LYS A 82 13.393 11.871 -19.217 1.00 0.00 H new ATOM 0 HA LYS A 82 15.755 12.504 -20.606 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.599 13.616 -18.556 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.441 12.420 -17.591 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.569 13.287 -18.133 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.974 14.136 -19.546 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.879 14.876 -16.835 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.479 15.434 -17.281 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.139 17.188 -18.041 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.340 16.237 -19.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.991 17.023 -18.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.192 15.492 -19.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.052 15.639 -17.749 1.00 0.00 H new ATOM 1315 N HIS A 83 15.969 9.944 -18.523 1.00 0.00 N ATOM 1316 CA HIS A 83 16.775 8.777 -18.181 1.00 0.00 C ATOM 1317 C HIS A 83 17.320 8.106 -19.438 1.00 0.00 C ATOM 1318 O HIS A 83 18.505 7.780 -19.514 1.00 0.00 O ATOM 1319 CB HIS A 83 15.946 7.777 -17.374 1.00 0.00 C ATOM 1320 CG HIS A 83 16.357 6.352 -17.583 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.507 5.814 -17.045 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.763 5.351 -18.274 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.604 4.545 -17.398 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.557 4.239 -18.144 1.00 0.00 N ATOM 0 H HIS A 83 15.092 10.017 -18.007 1.00 0.00 H new ATOM 0 HA HIS A 83 17.617 9.112 -17.575 1.00 0.00 H new ATOM 0 HB2 HIS A 83 16.030 8.019 -16.315 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.896 7.887 -17.644 1.00 0.00 H new ATOM 0 HD1 HIS A 83 18.178 6.318 -16.465 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.836 5.415 -18.825 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.403 3.872 -17.124 1.00 0.00 H new ATOM 1332 N ILE A 84 16.449 7.903 -20.420 1.00 0.00 N ATOM 1333 CA ILE A 84 16.844 7.271 -21.672 1.00 0.00 C ATOM 1334 C ILE A 84 17.877 8.115 -22.411 1.00 0.00 C ATOM 1335 O ILE A 84 18.833 7.587 -22.980 1.00 0.00 O ATOM 1336 CB ILE A 84 15.632 7.041 -22.594 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.629 6.097 -21.928 1.00 0.00 C ATOM 1338 CG2 ILE A 84 16.084 6.481 -23.934 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.240 6.173 -22.522 1.00 0.00 C ATOM 0 H ILE A 84 15.465 8.167 -20.373 1.00 0.00 H new ATOM 0 HA ILE A 84 17.282 6.307 -21.414 1.00 0.00 H new ATOM 0 HB ILE A 84 15.141 7.998 -22.769 1.00 0.00 H new ATOM 0 HG12 ILE A 84 14.995 5.074 -22.011 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.574 6.330 -20.865 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.216 6.324 -24.574 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.765 7.186 -24.412 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.596 5.531 -23.778 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.583 5.477 -22.001 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.853 7.187 -22.415 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.281 5.910 -23.579 1.00 0.00 H new ATOM 1351 N ARG A 85 17.679 9.429 -22.397 1.00 0.00 N ATOM 1352 CA ARG A 85 18.594 10.347 -23.066 1.00 0.00 C ATOM 1353 C ARG A 85 19.910 10.456 -22.300 1.00 0.00 C ATOM 1354 O ARG A 85 20.891 10.999 -22.808 1.00 0.00 O ATOM 1355 CB ARG A 85 17.954 11.730 -23.202 1.00 0.00 C ATOM 1356 CG ARG A 85 16.488 11.686 -23.599 1.00 0.00 C ATOM 1357 CD ARG A 85 16.311 11.867 -25.099 1.00 0.00 C ATOM 1358 NE ARG A 85 16.862 13.137 -25.565 1.00 0.00 N ATOM 1359 CZ ARG A 85 18.080 13.265 -26.078 1.00 0.00 C ATOM 1360 NH1 ARG A 85 18.871 12.206 -26.191 1.00 0.00 N ATOM 1361 NH2 ARG A 85 18.510 14.454 -26.481 1.00 0.00 N ATOM 0 H ARG A 85 16.893 9.882 -21.930 1.00 0.00 H new ATOM 0 HA ARG A 85 18.803 9.952 -24.060 1.00 0.00 H new ATOM 0 HB2 ARG A 85 18.049 12.260 -22.254 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.506 12.305 -23.946 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.056 10.733 -23.293 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.943 12.468 -23.070 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.799 11.046 -25.624 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.251 11.819 -25.348 1.00 0.00 H new ATOM 0 HE ARG A 85 16.279 13.971 -25.492 1.00 0.00 H new ATOM 0 HH11 ARG A 85 18.544 11.290 -25.883 1.00 0.00 H new ATOM 0 HH12 ARG A 85 19.806 12.308 -26.586 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.905 15.271 -26.397 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.446 14.551 -26.875 1.00 0.00 H new ATOM 1375 N ASP A 86 19.921 9.938 -21.077 1.00 0.00 N ATOM 1376 CA ASP A 86 21.116 9.977 -20.242 1.00 0.00 C ATOM 1377 C ASP A 86 21.889 8.665 -20.338 1.00 0.00 C ATOM 1378 O ASP A 86 23.096 8.661 -20.578 1.00 0.00 O ATOM 1379 CB ASP A 86 20.737 10.255 -18.786 1.00 0.00 C ATOM 1380 CG ASP A 86 20.280 11.684 -18.569 1.00 0.00 C ATOM 1381 OD1 ASP A 86 20.686 12.563 -19.358 1.00 0.00 O ATOM 1382 OD2 ASP A 86 19.516 11.923 -17.611 1.00 0.00 O ATOM 0 H ASP A 86 19.117 9.486 -20.642 1.00 0.00 H new ATOM 0 HA ASP A 86 21.756 10.782 -20.603 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.942 9.573 -18.484 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.594 10.050 -18.145 1.00 0.00 H new ATOM 1387 N ALA A 87 21.185 7.554 -20.148 1.00 0.00 N ATOM 1388 CA ALA A 87 21.805 6.237 -20.214 1.00 0.00 C ATOM 1389 C ALA A 87 21.616 5.610 -21.591 1.00 0.00 C ATOM 1390 O ALA A 87 22.582 5.196 -22.234 1.00 0.00 O ATOM 1391 CB ALA A 87 21.233 5.329 -19.136 1.00 0.00 C ATOM 0 H ALA A 87 20.185 7.540 -19.947 1.00 0.00 H new ATOM 0 HA ALA A 87 22.875 6.358 -20.042 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.706 4.349 -19.198 1.00 0.00 H new ATOM 0 HB2 ALA A 87 21.425 5.763 -18.155 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.158 5.223 -19.282 1.00 0.00 H new ATOM 1397 N HIS A 88 20.366 5.541 -22.039 1.00 0.00 N ATOM 1398 CA HIS A 88 20.051 4.964 -23.340 1.00 0.00 C ATOM 1399 C HIS A 88 20.100 6.028 -24.433 1.00 0.00 C ATOM 1400 O HIS A 88 19.175 6.149 -25.237 1.00 0.00 O ATOM 1401 CB HIS A 88 18.669 4.310 -23.311 1.00 0.00 C ATOM 1402 CG HIS A 88 18.460 3.405 -22.136 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.288 2.341 -21.849 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.510 3.411 -21.172 1.00 0.00 C ATOM 1405 CE1 HIS A 88 18.856 1.730 -20.760 1.00 0.00 C ATOM 1406 NE2 HIS A 88 17.778 2.361 -20.329 1.00 0.00 N ATOM 0 H HIS A 88 19.555 5.878 -21.520 1.00 0.00 H new ATOM 0 HA HIS A 88 20.800 4.204 -23.563 1.00 0.00 H new ATOM 0 HB2 HIS A 88 17.907 5.090 -23.299 1.00 0.00 H new ATOM 0 HB3 HIS A 88 18.527 3.739 -24.229 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.693 4.112 -21.083 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.307 0.863 -20.301 1.00 0.00 H new ATOM 0 HE2 HIS A 88 17.233 2.109 -19.504 1.00 0.00 H new ATOM 1414 N ASP A 89 21.183 6.796 -24.456 1.00 0.00 N ATOM 1415 CA ASP A 89 21.353 7.850 -25.449 1.00 0.00 C ATOM 1416 C ASP A 89 21.950 7.291 -26.737 1.00 0.00 C ATOM 1417 O ASP A 89 23.012 6.668 -26.739 1.00 0.00 O ATOM 1418 CB ASP A 89 22.248 8.961 -24.898 1.00 0.00 C ATOM 1419 CG ASP A 89 23.037 9.662 -25.986 1.00 0.00 C ATOM 1420 OD1 ASP A 89 22.453 9.950 -27.051 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.241 9.921 -25.773 1.00 0.00 O ATOM 0 H ASP A 89 21.957 6.708 -23.798 1.00 0.00 H new ATOM 0 HA ASP A 89 20.370 8.265 -25.674 1.00 0.00 H new ATOM 0 HB2 ASP A 89 21.633 9.691 -24.371 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.938 8.539 -24.167 1.00 0.00 H new