USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 430 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 8 THR OG1 : rot 180:sc= 0.0203 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -4:sc= 1.21 USER MOD Single : A 12 SER OG : rot 72:sc= 0.0886 USER MOD Single : A 13 GLN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -134:sc= -10.5! (180deg=-16.1!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -77:sc= -0.194 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.78) USER MOD Single : A 39 THR OG1 : rot 150:sc= 0.348 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 161:sc= -6.2! (180deg=-6.58!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 5 1.071 -32.499 5.621 1.00 0.00 N ATOM 61 CA ASP A 5 0.363 -31.897 6.789 1.00 0.00 C ATOM 62 C ASP A 5 -0.900 -31.163 6.325 1.00 0.00 C ATOM 63 O ASP A 5 -0.832 -30.083 5.777 1.00 0.00 O ATOM 64 CB ASP A 5 1.364 -30.911 7.393 1.00 0.00 C ATOM 65 CG ASP A 5 2.568 -31.677 7.943 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.378 -32.466 8.853 1.00 0.00 O ATOM 67 OD2 ASP A 5 3.660 -31.460 7.443 1.00 0.00 O ATOM 0 HA ASP A 5 0.045 -32.650 7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.689 -30.197 6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.890 -30.337 8.190 1.00 0.00 H new ATOM 72 N CYS A 6 -2.051 -31.742 6.544 1.00 0.00 N ATOM 73 CA CYS A 6 -3.316 -31.075 6.116 1.00 0.00 C ATOM 74 C CYS A 6 -3.873 -30.217 7.256 1.00 0.00 C ATOM 75 O CYS A 6 -3.553 -30.420 8.410 1.00 0.00 O ATOM 76 CB CYS A 6 -4.273 -32.222 5.788 1.00 0.00 C ATOM 77 SG CYS A 6 -3.536 -33.278 4.516 1.00 0.00 S ATOM 0 H CYS A 6 -2.170 -32.647 7.000 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.168 -30.411 5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.479 -32.805 6.685 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.227 -31.826 5.439 1.00 0.00 H new ATOM 82 N CYS A 7 -4.700 -29.255 6.941 1.00 0.00 N ATOM 83 CA CYS A 7 -5.270 -28.382 8.008 1.00 0.00 C ATOM 84 C CYS A 7 -6.606 -28.941 8.507 1.00 0.00 C ATOM 85 O CYS A 7 -7.429 -29.394 7.735 1.00 0.00 O ATOM 86 CB CYS A 7 -5.490 -27.027 7.338 1.00 0.00 C ATOM 87 SG CYS A 7 -4.143 -25.902 7.779 1.00 0.00 S ATOM 0 H CYS A 7 -5.005 -29.037 5.992 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.609 -28.316 8.872 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.535 -27.149 6.256 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.445 -26.606 7.652 1.00 0.00 H new ATOM 92 N THR A 8 -6.833 -28.894 9.790 1.00 0.00 N ATOM 93 CA THR A 8 -8.122 -29.402 10.342 1.00 0.00 C ATOM 94 C THR A 8 -9.028 -28.219 10.690 1.00 0.00 C ATOM 95 O THR A 8 -10.216 -28.366 10.897 1.00 0.00 O ATOM 96 CB THR A 8 -7.741 -30.179 11.604 1.00 0.00 C ATOM 97 OG1 THR A 8 -6.980 -29.340 12.462 1.00 0.00 O ATOM 98 CG2 THR A 8 -6.912 -31.405 11.218 1.00 0.00 C ATOM 0 H THR A 8 -6.181 -28.525 10.482 1.00 0.00 H new ATOM 0 HA THR A 8 -8.663 -30.031 9.634 1.00 0.00 H new ATOM 0 HB THR A 8 -8.645 -30.503 12.120 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.736 -29.835 13.272 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.641 -31.958 12.117 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.497 -32.047 10.559 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.007 -31.084 10.702 1.00 0.00 H new ATOM 106 N SER A 9 -8.465 -27.043 10.750 1.00 0.00 N ATOM 107 CA SER A 9 -9.267 -25.832 11.078 1.00 0.00 C ATOM 108 C SER A 9 -8.429 -24.580 10.807 1.00 0.00 C ATOM 109 O SER A 9 -7.248 -24.546 11.085 1.00 0.00 O ATOM 110 CB SER A 9 -9.586 -25.958 12.569 1.00 0.00 C ATOM 111 OG SER A 9 -8.376 -26.069 13.305 1.00 0.00 O ATOM 0 H SER A 9 -7.474 -26.869 10.584 1.00 0.00 H new ATOM 0 HA SER A 9 -10.175 -25.752 10.481 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.150 -25.088 12.906 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.213 -26.832 12.745 1.00 0.00 H new ATOM 0 HG SER A 9 -8.580 -26.148 14.260 1.00 0.00 H new ATOM 117 N TYR A 10 -9.022 -23.556 10.255 1.00 0.00 N ATOM 118 CA TYR A 10 -8.242 -22.320 9.957 1.00 0.00 C ATOM 119 C TYR A 10 -8.280 -21.360 11.148 1.00 0.00 C ATOM 120 O TYR A 10 -8.933 -21.611 12.141 1.00 0.00 O ATOM 121 CB TYR A 10 -8.934 -21.698 8.744 1.00 0.00 C ATOM 122 CG TYR A 10 -9.030 -22.729 7.647 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.886 -23.093 6.927 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.261 -23.326 7.353 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.973 -24.055 5.914 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.349 -24.287 6.338 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.204 -24.652 5.619 1.00 0.00 C ATOM 128 OH TYR A 10 -9.291 -25.601 4.621 1.00 0.00 O ATOM 0 H TYR A 10 -10.009 -23.521 9.998 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.191 -22.536 9.763 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.929 -21.347 9.018 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.374 -20.830 8.396 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.936 -22.631 7.153 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.143 -23.046 7.909 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.090 -24.337 5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.299 -24.746 6.110 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.420 -25.696 4.183 1.00 0.00 H new ATOM 138 N ILE A 11 -7.579 -20.263 11.055 1.00 0.00 N ATOM 139 CA ILE A 11 -7.569 -19.288 12.180 1.00 0.00 C ATOM 140 C ILE A 11 -8.925 -18.572 12.260 1.00 0.00 C ATOM 141 O ILE A 11 -9.817 -18.832 11.477 1.00 0.00 O ATOM 142 CB ILE A 11 -6.432 -18.299 11.864 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.904 -17.249 10.851 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.221 -19.045 11.294 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.078 -17.897 9.476 1.00 0.00 C ATOM 0 H ILE A 11 -7.013 -20.001 10.248 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.408 -19.770 13.145 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.145 -17.801 12.790 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.847 -16.812 11.179 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.180 -16.437 10.791 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.425 -18.333 11.075 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.866 -19.773 12.023 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.509 -19.560 10.378 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.413 -17.147 8.760 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.126 -18.313 9.147 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.819 -18.694 9.540 1.00 0.00 H new ATOM 157 N SER A 12 -9.090 -17.679 13.199 1.00 0.00 N ATOM 158 CA SER A 12 -10.392 -16.962 13.322 1.00 0.00 C ATOM 159 C SER A 12 -10.268 -15.531 12.797 1.00 0.00 C ATOM 160 O SER A 12 -11.242 -14.813 12.683 1.00 0.00 O ATOM 161 CB SER A 12 -10.701 -16.958 14.820 1.00 0.00 C ATOM 162 OG SER A 12 -9.522 -17.264 15.550 1.00 0.00 O ATOM 0 H SER A 12 -8.382 -17.416 13.884 1.00 0.00 H new ATOM 0 HA SER A 12 -11.180 -17.442 12.742 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.084 -15.983 15.120 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.479 -17.688 15.043 1.00 0.00 H new ATOM 0 HG SER A 12 -8.906 -16.503 15.511 1.00 0.00 H new ATOM 168 N GLN A 13 -9.080 -15.114 12.475 1.00 0.00 N ATOM 169 CA GLN A 13 -8.887 -13.730 11.954 1.00 0.00 C ATOM 170 C GLN A 13 -7.784 -13.715 10.895 1.00 0.00 C ATOM 171 O GLN A 13 -7.321 -14.747 10.456 1.00 0.00 O ATOM 172 CB GLN A 13 -8.470 -12.906 13.172 1.00 0.00 C ATOM 173 CG GLN A 13 -7.061 -13.317 13.605 1.00 0.00 C ATOM 174 CD GLN A 13 -6.609 -12.438 14.772 1.00 0.00 C ATOM 175 OE1 GLN A 13 -5.477 -11.998 14.815 1.00 0.00 O ATOM 176 NE2 GLN A 13 -7.453 -12.161 15.728 1.00 0.00 N ATOM 0 H GLN A 13 -8.229 -15.671 12.549 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.787 -13.335 11.482 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.493 -11.843 12.931 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.174 -13.063 13.989 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.052 -14.366 13.901 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.368 -13.215 12.770 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.403 -12.530 15.692 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.162 -11.575 16.511 1.00 0.00 H new ATOM 185 N SER A 14 -7.359 -12.555 10.482 1.00 0.00 N ATOM 186 CA SER A 14 -6.284 -12.485 9.452 1.00 0.00 C ATOM 187 C SER A 14 -5.027 -13.202 9.956 1.00 0.00 C ATOM 188 O SER A 14 -4.729 -13.195 11.133 1.00 0.00 O ATOM 189 CB SER A 14 -6.015 -10.992 9.262 1.00 0.00 C ATOM 190 OG SER A 14 -5.136 -10.806 8.161 1.00 0.00 O ATOM 0 H SER A 14 -7.707 -11.654 10.811 1.00 0.00 H new ATOM 0 HA SER A 14 -6.571 -12.967 8.517 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.951 -10.462 9.087 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.576 -10.573 10.167 1.00 0.00 H new ATOM 0 HG SER A 14 -4.964 -9.849 8.037 1.00 0.00 H new ATOM 196 N ILE A 15 -4.289 -13.821 9.074 1.00 0.00 N ATOM 197 CA ILE A 15 -3.054 -14.538 9.506 1.00 0.00 C ATOM 198 C ILE A 15 -1.967 -13.529 9.893 1.00 0.00 C ATOM 199 O ILE A 15 -1.782 -12.531 9.223 1.00 0.00 O ATOM 200 CB ILE A 15 -2.615 -15.340 8.281 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.631 -16.453 7.999 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.231 -15.942 8.540 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.428 -17.609 8.982 1.00 0.00 C ATOM 0 H ILE A 15 -4.487 -13.861 8.074 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.229 -15.174 10.374 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.564 -14.684 7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.645 -16.062 8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.516 -16.811 6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.914 -16.515 7.668 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.515 -15.142 8.728 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.277 -16.599 9.409 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.154 -18.395 8.774 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.420 -18.008 8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.566 -17.248 10.001 1.00 0.00 H new ATOM 215 N PRO A 16 -1.283 -13.824 10.964 1.00 0.00 N ATOM 216 CA PRO A 16 -0.201 -12.933 11.449 1.00 0.00 C ATOM 217 C PRO A 16 1.061 -13.092 10.595 1.00 0.00 C ATOM 218 O PRO A 16 1.982 -13.795 10.960 1.00 0.00 O ATOM 219 CB PRO A 16 0.051 -13.419 12.871 1.00 0.00 C ATOM 220 CG PRO A 16 -0.395 -14.849 12.880 1.00 0.00 C ATOM 221 CD PRO A 16 -1.454 -15.004 11.818 1.00 0.00 C ATOM 0 HA PRO A 16 -0.469 -11.878 11.399 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.105 -13.333 13.136 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.509 -12.827 13.595 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.446 -15.513 12.682 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.792 -15.120 13.858 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.320 -15.927 11.254 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.453 -15.039 12.254 1.00 0.00 H new ATOM 229 N CYS A 17 1.112 -12.442 9.466 1.00 0.00 N ATOM 230 CA CYS A 17 2.320 -12.552 8.597 1.00 0.00 C ATOM 231 C CYS A 17 3.558 -12.064 9.357 1.00 0.00 C ATOM 232 O CYS A 17 4.666 -12.502 9.110 1.00 0.00 O ATOM 233 CB CYS A 17 2.049 -11.627 7.409 1.00 0.00 C ATOM 234 SG CYS A 17 0.431 -11.989 6.681 1.00 0.00 S ATOM 0 H CYS A 17 0.371 -11.840 9.107 1.00 0.00 H new ATOM 0 HA CYS A 17 2.504 -13.580 8.286 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.084 -10.587 7.735 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.829 -11.752 6.658 1.00 0.00 H new ATOM 239 N SER A 18 3.373 -11.151 10.273 1.00 0.00 N ATOM 240 CA SER A 18 4.531 -10.604 11.047 1.00 0.00 C ATOM 241 C SER A 18 5.115 -11.637 12.021 1.00 0.00 C ATOM 242 O SER A 18 5.950 -11.313 12.842 1.00 0.00 O ATOM 243 CB SER A 18 3.955 -9.418 11.820 1.00 0.00 C ATOM 244 OG SER A 18 4.956 -8.424 11.982 1.00 0.00 O ATOM 0 H SER A 18 2.465 -10.757 10.521 1.00 0.00 H new ATOM 0 HA SER A 18 5.350 -10.325 10.384 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.100 -9.004 11.286 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.594 -9.747 12.794 1.00 0.00 H new ATOM 0 HG SER A 18 4.585 -7.664 12.476 1.00 0.00 H new ATOM 250 N LEU A 19 4.694 -12.869 11.952 1.00 0.00 N ATOM 251 CA LEU A 19 5.244 -13.887 12.889 1.00 0.00 C ATOM 252 C LEU A 19 5.560 -15.188 12.147 1.00 0.00 C ATOM 253 O LEU A 19 6.017 -16.149 12.735 1.00 0.00 O ATOM 254 CB LEU A 19 4.130 -14.117 13.910 1.00 0.00 C ATOM 255 CG LEU A 19 4.654 -13.828 15.317 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.598 -13.043 16.099 1.00 0.00 C ATOM 257 CD2 LEU A 19 4.946 -15.148 16.033 1.00 0.00 C ATOM 0 H LEU A 19 3.997 -13.213 11.292 1.00 0.00 H new ATOM 0 HA LEU A 19 6.173 -13.557 13.354 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.281 -13.471 13.688 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.773 -15.145 13.848 1.00 0.00 H new ATOM 0 HG LEU A 19 5.570 -13.241 15.253 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.968 -12.835 17.103 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.390 -12.103 15.587 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.682 -13.631 16.165 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.320 -14.943 17.036 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.031 -15.736 16.100 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.696 -15.707 15.474 1.00 0.00 H new ATOM 269 N MET A 20 5.320 -15.235 10.865 1.00 0.00 N ATOM 270 CA MET A 20 5.609 -16.490 10.113 1.00 0.00 C ATOM 271 C MET A 20 6.907 -16.359 9.314 1.00 0.00 C ATOM 272 O MET A 20 7.151 -15.360 8.666 1.00 0.00 O ATOM 273 CB MET A 20 4.427 -16.688 9.157 1.00 0.00 C ATOM 274 CG MET A 20 3.102 -16.382 9.864 1.00 0.00 C ATOM 275 SD MET A 20 2.594 -17.809 10.852 1.00 0.00 S ATOM 276 CE MET A 20 0.808 -17.534 10.735 1.00 0.00 C ATOM 0 H MET A 20 4.940 -14.468 10.310 1.00 0.00 H new ATOM 0 HA MET A 20 5.732 -17.334 10.792 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.541 -16.037 8.290 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.419 -17.713 8.787 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.214 -15.506 10.503 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.333 -16.144 9.129 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.357 -17.645 11.721 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.619 -16.528 10.360 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.371 -18.264 10.053 1.00 0.00 H new ATOM 286 N LYS A 21 7.730 -17.370 9.337 1.00 0.00 N ATOM 287 CA LYS A 21 8.998 -17.314 8.560 1.00 0.00 C ATOM 288 C LYS A 21 8.789 -17.942 7.178 1.00 0.00 C ATOM 289 O LYS A 21 9.532 -17.685 6.253 1.00 0.00 O ATOM 290 CB LYS A 21 10.011 -18.122 9.377 1.00 0.00 C ATOM 291 CG LYS A 21 9.639 -19.606 9.343 1.00 0.00 C ATOM 292 CD LYS A 21 10.839 -20.420 8.854 1.00 0.00 C ATOM 293 CE LYS A 21 11.339 -21.318 9.986 1.00 0.00 C ATOM 294 NZ LYS A 21 12.808 -21.428 9.766 1.00 0.00 N ATOM 0 H LYS A 21 7.579 -18.232 9.860 1.00 0.00 H new ATOM 0 HA LYS A 21 9.341 -16.292 8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.014 -17.980 8.974 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.028 -17.766 10.407 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.340 -19.940 10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.786 -19.763 8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.555 -21.025 7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.636 -19.753 8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.117 -20.885 10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.860 -22.297 9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.225 -22.030 10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.989 -21.849 8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.237 -20.482 9.808 1.00 0.00 H new ATOM 308 N SER A 22 7.780 -18.765 7.029 1.00 0.00 N ATOM 309 CA SER A 22 7.534 -19.403 5.702 1.00 0.00 C ATOM 310 C SER A 22 6.088 -19.896 5.609 1.00 0.00 C ATOM 311 O SER A 22 5.339 -19.835 6.561 1.00 0.00 O ATOM 312 CB SER A 22 8.504 -20.582 5.644 1.00 0.00 C ATOM 313 OG SER A 22 9.109 -20.633 4.361 1.00 0.00 O ATOM 0 H SER A 22 7.121 -19.020 7.765 1.00 0.00 H new ATOM 0 HA SER A 22 7.685 -18.707 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.268 -20.477 6.414 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.974 -21.513 5.846 1.00 0.00 H new ATOM 0 HG SER A 22 9.733 -21.388 4.323 1.00 0.00 H new ATOM 319 N TYR A 23 5.692 -20.384 4.464 1.00 0.00 N ATOM 320 CA TYR A 23 4.298 -20.889 4.305 1.00 0.00 C ATOM 321 C TYR A 23 4.271 -22.014 3.265 1.00 0.00 C ATOM 322 O TYR A 23 5.100 -22.062 2.378 1.00 0.00 O ATOM 323 CB TYR A 23 3.488 -19.683 3.823 1.00 0.00 C ATOM 324 CG TYR A 23 3.801 -19.407 2.370 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.240 -20.209 1.371 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.653 -18.350 2.026 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.530 -19.956 0.025 1.00 0.00 C ATOM 328 CE2 TYR A 23 4.942 -18.097 0.679 1.00 0.00 C ATOM 329 CZ TYR A 23 4.380 -18.900 -0.321 1.00 0.00 C ATOM 330 OH TYR A 23 4.665 -18.652 -1.648 1.00 0.00 O ATOM 0 H TYR A 23 6.275 -20.455 3.630 1.00 0.00 H new ATOM 0 HA TYR A 23 3.893 -21.298 5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.422 -19.876 3.945 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.725 -18.808 4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.583 -21.024 1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.086 -17.731 2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.098 -20.576 -0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.599 -17.282 0.412 1.00 0.00 H new ATOM 0 HH TYR A 23 5.269 -17.884 -1.715 1.00 0.00 H new ATOM 340 N PHE A 24 3.332 -22.918 3.356 1.00 0.00 N ATOM 341 CA PHE A 24 3.285 -24.020 2.349 1.00 0.00 C ATOM 342 C PHE A 24 1.841 -24.463 2.096 1.00 0.00 C ATOM 343 O PHE A 24 1.017 -24.475 2.988 1.00 0.00 O ATOM 344 CB PHE A 24 4.123 -25.158 2.953 1.00 0.00 C ATOM 345 CG PHE A 24 3.284 -26.008 3.883 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.350 -26.912 3.358 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.446 -25.897 5.269 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.581 -27.702 4.219 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.677 -26.689 6.129 1.00 0.00 C ATOM 350 CZ PHE A 24 1.744 -27.591 5.605 1.00 0.00 C ATOM 0 H PHE A 24 2.606 -22.943 4.072 1.00 0.00 H new ATOM 0 HA PHE A 24 3.678 -23.707 1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.531 -25.778 2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.970 -24.742 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.224 -26.999 2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.164 -25.200 5.675 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.861 -28.398 3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.804 -26.604 7.198 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.150 -28.201 6.269 1.00 0.00 H new ATOM 360 N GLU A 25 1.535 -24.836 0.883 1.00 0.00 N ATOM 361 CA GLU A 25 0.151 -25.288 0.569 1.00 0.00 C ATOM 362 C GLU A 25 0.046 -26.800 0.774 1.00 0.00 C ATOM 363 O GLU A 25 0.968 -27.538 0.487 1.00 0.00 O ATOM 364 CB GLU A 25 -0.064 -24.929 -0.902 1.00 0.00 C ATOM 365 CG GLU A 25 -0.512 -23.471 -1.011 1.00 0.00 C ATOM 366 CD GLU A 25 -1.279 -23.269 -2.319 1.00 0.00 C ATOM 367 OE1 GLU A 25 -2.074 -24.132 -2.657 1.00 0.00 O ATOM 368 OE2 GLU A 25 -1.058 -22.255 -2.961 1.00 0.00 O ATOM 0 H GLU A 25 2.184 -24.847 0.096 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.597 -24.820 1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.858 -25.080 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.815 -25.585 -1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.144 -23.209 -0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.354 -22.810 -0.979 1.00 0.00 H new ATOM 375 N THR A 26 -1.063 -27.266 1.272 1.00 0.00 N ATOM 376 CA THR A 26 -1.212 -28.732 1.499 1.00 0.00 C ATOM 377 C THR A 26 -1.647 -29.431 0.209 1.00 0.00 C ATOM 378 O THR A 26 -1.945 -28.798 -0.784 1.00 0.00 O ATOM 379 CB THR A 26 -2.296 -28.858 2.571 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.534 -28.397 2.047 1.00 0.00 O ATOM 381 CG2 THR A 26 -1.907 -28.015 3.785 1.00 0.00 C ATOM 0 H THR A 26 -1.871 -26.700 1.531 1.00 0.00 H new ATOM 0 HA THR A 26 -0.276 -29.198 1.808 1.00 0.00 H new ATOM 0 HB THR A 26 -2.396 -29.901 2.871 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.540 -27.417 2.037 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.678 -28.103 4.551 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.957 -28.369 4.184 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.809 -26.971 3.487 1.00 0.00 H new ATOM 389 N SER A 27 -1.681 -30.736 0.218 1.00 0.00 N ATOM 390 CA SER A 27 -2.093 -31.481 -1.006 1.00 0.00 C ATOM 391 C SER A 27 -3.619 -31.510 -1.123 1.00 0.00 C ATOM 392 O SER A 27 -4.323 -31.713 -0.154 1.00 0.00 O ATOM 393 CB SER A 27 -1.547 -32.895 -0.809 1.00 0.00 C ATOM 394 OG SER A 27 -0.187 -32.824 -0.407 1.00 0.00 O ATOM 0 H SER A 27 -1.441 -31.319 1.020 1.00 0.00 H new ATOM 0 HA SER A 27 -1.714 -31.018 -1.917 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.133 -33.421 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.635 -33.463 -1.735 1.00 0.00 H new ATOM 0 HG SER A 27 0.164 -33.730 -0.279 1.00 0.00 H new ATOM 400 N SER A 28 -4.135 -31.310 -2.305 1.00 0.00 N ATOM 401 CA SER A 28 -5.614 -31.328 -2.490 1.00 0.00 C ATOM 402 C SER A 28 -6.158 -32.747 -2.304 1.00 0.00 C ATOM 403 O SER A 28 -7.351 -32.974 -2.340 1.00 0.00 O ATOM 404 CB SER A 28 -5.839 -30.848 -3.924 1.00 0.00 C ATOM 405 OG SER A 28 -7.107 -30.215 -4.017 1.00 0.00 O ATOM 0 H SER A 28 -3.595 -31.135 -3.152 1.00 0.00 H new ATOM 0 HA SER A 28 -6.128 -30.698 -1.764 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.051 -30.153 -4.214 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.790 -31.691 -4.613 1.00 0.00 H new ATOM 0 HG SER A 28 -7.252 -29.906 -4.936 1.00 0.00 H new ATOM 411 N GLU A 29 -5.293 -33.704 -2.107 1.00 0.00 N ATOM 412 CA GLU A 29 -5.762 -35.108 -1.921 1.00 0.00 C ATOM 413 C GLU A 29 -6.416 -35.264 -0.546 1.00 0.00 C ATOM 414 O GLU A 29 -7.223 -36.147 -0.329 1.00 0.00 O ATOM 415 CB GLU A 29 -4.498 -35.964 -2.015 1.00 0.00 C ATOM 416 CG GLU A 29 -4.883 -37.403 -2.361 1.00 0.00 C ATOM 417 CD GLU A 29 -3.984 -37.915 -3.489 1.00 0.00 C ATOM 418 OE1 GLU A 29 -2.918 -38.424 -3.185 1.00 0.00 O ATOM 419 OE2 GLU A 29 -4.378 -37.790 -4.637 1.00 0.00 O ATOM 0 H GLU A 29 -4.282 -33.575 -2.067 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.505 -35.399 -2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.829 -35.562 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.957 -35.938 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.780 -38.040 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.928 -37.448 -2.666 1.00 0.00 H new ATOM 426 N CYS A 30 -6.077 -34.414 0.383 1.00 0.00 N ATOM 427 CA CYS A 30 -6.682 -34.515 1.743 1.00 0.00 C ATOM 428 C CYS A 30 -8.152 -34.087 1.698 1.00 0.00 C ATOM 429 O CYS A 30 -8.550 -33.287 0.876 1.00 0.00 O ATOM 430 CB CYS A 30 -5.868 -33.555 2.610 1.00 0.00 C ATOM 431 SG CYS A 30 -5.048 -34.482 3.931 1.00 0.00 S ATOM 0 H CYS A 30 -5.408 -33.654 0.261 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.659 -35.533 2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.127 -33.037 2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.519 -32.792 3.037 1.00 0.00 H new ATOM 436 N SER A 31 -8.962 -34.612 2.579 1.00 0.00 N ATOM 437 CA SER A 31 -10.405 -34.233 2.585 1.00 0.00 C ATOM 438 C SER A 31 -10.566 -32.739 2.870 1.00 0.00 C ATOM 439 O SER A 31 -11.636 -32.180 2.731 1.00 0.00 O ATOM 440 CB SER A 31 -11.029 -35.065 3.706 1.00 0.00 C ATOM 441 OG SER A 31 -11.363 -36.353 3.212 1.00 0.00 O ATOM 0 H SER A 31 -8.687 -35.286 3.294 1.00 0.00 H new ATOM 0 HA SER A 31 -10.882 -34.421 1.623 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.331 -35.153 4.539 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.921 -34.568 4.088 1.00 0.00 H new ATOM 0 HG SER A 31 -11.761 -36.886 3.931 1.00 0.00 H new ATOM 447 N LYS A 32 -9.512 -32.088 3.271 1.00 0.00 N ATOM 448 CA LYS A 32 -9.602 -30.630 3.569 1.00 0.00 C ATOM 449 C LYS A 32 -8.252 -29.956 3.318 1.00 0.00 C ATOM 450 O LYS A 32 -7.360 -30.026 4.141 1.00 0.00 O ATOM 451 CB LYS A 32 -9.976 -30.553 5.050 1.00 0.00 C ATOM 452 CG LYS A 32 -10.848 -29.319 5.297 1.00 0.00 C ATOM 453 CD LYS A 32 -10.657 -28.842 6.738 1.00 0.00 C ATOM 454 CE LYS A 32 -10.817 -30.027 7.694 1.00 0.00 C ATOM 455 NZ LYS A 32 -12.223 -30.482 7.504 1.00 0.00 N ATOM 0 H LYS A 32 -8.590 -32.502 3.406 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.331 -30.122 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.512 -31.455 5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.075 -30.502 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.579 -28.525 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.896 -29.559 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.669 -28.396 6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.387 -28.068 6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.109 -30.822 7.460 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.633 -29.730 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.633 -30.736 8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.781 -29.716 7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.238 -31.312 6.878 1.00 0.00 H new ATOM 469 N PRO A 33 -8.147 -29.321 2.183 1.00 0.00 N ATOM 470 CA PRO A 33 -6.893 -28.625 1.813 1.00 0.00 C ATOM 471 C PRO A 33 -6.716 -27.355 2.646 1.00 0.00 C ATOM 472 O PRO A 33 -7.515 -27.046 3.507 1.00 0.00 O ATOM 473 CB PRO A 33 -7.091 -28.280 0.341 1.00 0.00 C ATOM 474 CG PRO A 33 -8.574 -28.234 0.151 1.00 0.00 C ATOM 475 CD PRO A 33 -9.178 -29.193 1.145 1.00 0.00 C ATOM 0 HA PRO A 33 -6.004 -29.231 1.989 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.632 -27.323 0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.633 -29.029 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.952 -27.224 0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.841 -28.516 -0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.112 -28.808 1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.404 -30.155 0.685 1.00 0.00 H new ATOM 483 N GLY A 34 -5.674 -26.617 2.391 1.00 0.00 N ATOM 484 CA GLY A 34 -5.439 -25.366 3.162 1.00 0.00 C ATOM 485 C GLY A 34 -3.940 -25.069 3.196 1.00 0.00 C ATOM 486 O GLY A 34 -3.124 -25.928 2.942 1.00 0.00 O ATOM 0 H GLY A 34 -4.973 -26.826 1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.976 -24.536 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.824 -25.472 4.176 1.00 0.00 H new ATOM 490 N VAL A 35 -3.573 -23.860 3.512 1.00 0.00 N ATOM 491 CA VAL A 35 -2.122 -23.513 3.565 1.00 0.00 C ATOM 492 C VAL A 35 -1.692 -23.300 5.018 1.00 0.00 C ATOM 493 O VAL A 35 -2.308 -22.555 5.753 1.00 0.00 O ATOM 494 CB VAL A 35 -1.982 -22.216 2.762 1.00 0.00 C ATOM 495 CG1 VAL A 35 -3.130 -21.266 3.109 1.00 0.00 C ATOM 496 CG2 VAL A 35 -0.649 -21.545 3.103 1.00 0.00 C ATOM 0 H VAL A 35 -4.211 -23.097 3.736 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.493 -24.304 3.156 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.014 -22.448 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.026 -20.345 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.081 -21.740 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.102 -21.035 4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.550 -20.622 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.618 -21.317 4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.171 -22.217 2.852 1.00 0.00 H new ATOM 506 N ILE A 36 -0.642 -23.949 5.441 1.00 0.00 N ATOM 507 CA ILE A 36 -0.184 -23.776 6.847 1.00 0.00 C ATOM 508 C ILE A 36 1.066 -22.899 6.889 1.00 0.00 C ATOM 509 O ILE A 36 2.032 -23.143 6.193 1.00 0.00 O ATOM 510 CB ILE A 36 0.128 -25.192 7.349 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.172 -25.866 7.794 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.102 -25.121 8.533 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.853 -27.180 8.512 1.00 0.00 C ATOM 0 H ILE A 36 -0.084 -24.589 4.876 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.935 -23.287 7.467 1.00 0.00 H new ATOM 0 HB ILE A 36 0.585 -25.770 6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.728 -25.203 8.458 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.808 -26.058 6.930 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.320 -26.129 8.886 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.027 -24.640 8.215 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.652 -24.544 9.340 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.781 -27.657 8.827 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.316 -27.844 7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.235 -26.976 9.386 1.00 0.00 H new ATOM 525 N PHE A 37 1.065 -21.890 7.711 1.00 0.00 N ATOM 526 CA PHE A 37 2.267 -21.019 7.802 1.00 0.00 C ATOM 527 C PHE A 37 3.163 -21.511 8.940 1.00 0.00 C ATOM 528 O PHE A 37 2.696 -21.804 10.023 1.00 0.00 O ATOM 529 CB PHE A 37 1.738 -19.616 8.114 1.00 0.00 C ATOM 530 CG PHE A 37 1.082 -19.028 6.887 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.248 -19.346 6.589 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.799 -18.160 6.051 1.00 0.00 C ATOM 533 CE1 PHE A 37 -0.861 -18.802 5.455 1.00 0.00 C ATOM 534 CE2 PHE A 37 1.185 -17.616 4.916 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.145 -17.937 4.618 1.00 0.00 C ATOM 0 H PHE A 37 0.289 -21.631 8.321 1.00 0.00 H new ATOM 0 HA PHE A 37 2.855 -21.028 6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.021 -19.662 8.933 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.556 -18.974 8.442 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.801 -20.012 7.235 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.824 -17.911 6.282 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.887 -19.049 5.225 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.737 -16.949 4.271 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.619 -17.518 3.743 1.00 0.00 H new ATOM 545 N LEU A 38 4.442 -21.596 8.715 1.00 0.00 N ATOM 546 CA LEU A 38 5.352 -22.059 9.797 1.00 0.00 C ATOM 547 C LEU A 38 5.987 -20.840 10.457 1.00 0.00 C ATOM 548 O LEU A 38 6.613 -20.030 9.803 1.00 0.00 O ATOM 549 CB LEU A 38 6.409 -22.913 9.097 1.00 0.00 C ATOM 550 CG LEU A 38 6.231 -24.377 9.501 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.502 -24.529 10.999 1.00 0.00 C ATOM 552 CD2 LEU A 38 4.799 -24.824 9.194 1.00 0.00 C ATOM 0 H LEU A 38 4.896 -21.366 7.831 1.00 0.00 H new ATOM 0 HA LEU A 38 4.840 -22.628 10.573 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.318 -22.809 8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.407 -22.569 9.367 1.00 0.00 H new ATOM 0 HG LEU A 38 6.931 -24.995 8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.375 -25.572 11.288 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.522 -24.213 11.218 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.802 -23.910 11.560 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.674 -25.868 9.483 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.097 -24.206 9.754 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.605 -24.717 8.127 1.00 0.00 H new ATOM 564 N THR A 39 5.815 -20.688 11.741 1.00 0.00 N ATOM 565 CA THR A 39 6.396 -19.499 12.424 1.00 0.00 C ATOM 566 C THR A 39 7.800 -19.806 12.928 1.00 0.00 C ATOM 567 O THR A 39 8.192 -20.947 13.067 1.00 0.00 O ATOM 568 CB THR A 39 5.458 -19.195 13.599 1.00 0.00 C ATOM 569 OG1 THR A 39 5.799 -20.020 14.702 1.00 0.00 O ATOM 570 CG2 THR A 39 4.005 -19.457 13.195 1.00 0.00 C ATOM 0 H THR A 39 5.301 -21.331 12.343 1.00 0.00 H new ATOM 0 HA THR A 39 6.481 -18.649 11.747 1.00 0.00 H new ATOM 0 HB THR A 39 5.565 -18.147 13.878 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.586 -19.554 15.537 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.348 -19.238 14.037 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.741 -18.818 12.353 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.890 -20.502 12.908 1.00 0.00 H new ATOM 578 N LYS A 40 8.560 -18.786 13.196 1.00 0.00 N ATOM 579 CA LYS A 40 9.951 -19.000 13.691 1.00 0.00 C ATOM 580 C LYS A 40 9.927 -19.699 15.055 1.00 0.00 C ATOM 581 O LYS A 40 10.838 -20.420 15.410 1.00 0.00 O ATOM 582 CB LYS A 40 10.543 -17.597 13.819 1.00 0.00 C ATOM 583 CG LYS A 40 11.563 -17.368 12.702 1.00 0.00 C ATOM 584 CD LYS A 40 11.486 -15.914 12.233 1.00 0.00 C ATOM 585 CE LYS A 40 12.326 -15.741 10.966 1.00 0.00 C ATOM 586 NZ LYS A 40 11.831 -14.476 10.351 1.00 0.00 N ATOM 0 H LYS A 40 8.281 -17.810 13.095 1.00 0.00 H new ATOM 0 HA LYS A 40 10.536 -19.631 13.022 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.751 -16.850 13.761 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.021 -17.480 14.792 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.568 -17.593 13.060 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.363 -18.041 11.869 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.450 -15.639 12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.849 -15.248 13.016 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.388 -15.677 11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.200 -16.586 10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.358 -14.286 9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.819 -14.569 10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.970 -13.689 11.016 1.00 0.00 H new ATOM 600 N LYS A 41 8.889 -19.492 15.823 1.00 0.00 N ATOM 601 CA LYS A 41 8.807 -20.145 17.164 1.00 0.00 C ATOM 602 C LYS A 41 8.560 -21.650 17.017 1.00 0.00 C ATOM 603 O LYS A 41 8.495 -22.376 17.989 1.00 0.00 O ATOM 604 CB LYS A 41 7.621 -19.475 17.860 1.00 0.00 C ATOM 605 CG LYS A 41 7.819 -19.537 19.376 1.00 0.00 C ATOM 606 CD LYS A 41 6.739 -18.701 20.067 1.00 0.00 C ATOM 607 CE LYS A 41 7.306 -17.324 20.416 1.00 0.00 C ATOM 608 NZ LYS A 41 6.905 -17.094 21.833 1.00 0.00 N ATOM 0 H LYS A 41 8.095 -18.900 15.580 1.00 0.00 H new ATOM 0 HA LYS A 41 9.732 -20.033 17.729 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.534 -18.438 17.536 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.693 -19.975 17.583 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.768 -20.571 19.718 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.808 -19.162 19.640 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.873 -18.595 19.414 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.397 -19.205 20.971 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.390 -17.303 20.303 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.902 -16.552 19.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.257 -16.167 22.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.868 -17.114 21.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.310 -17.840 22.434 1.00 0.00 H new ATOM 622 N GLY A 42 8.422 -22.123 15.811 1.00 0.00 N ATOM 623 CA GLY A 42 8.177 -23.578 15.601 1.00 0.00 C ATOM 624 C GLY A 42 6.673 -23.852 15.653 1.00 0.00 C ATOM 625 O GLY A 42 6.242 -24.976 15.807 1.00 0.00 O ATOM 0 H GLY A 42 8.468 -21.564 14.959 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.582 -23.891 14.639 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.690 -24.159 16.367 1.00 0.00 H new ATOM 629 N ARG A 43 5.872 -22.830 15.525 1.00 0.00 N ATOM 630 CA ARG A 43 4.395 -23.029 15.568 1.00 0.00 C ATOM 631 C ARG A 43 3.845 -23.229 14.154 1.00 0.00 C ATOM 632 O ARG A 43 4.564 -23.149 13.179 1.00 0.00 O ATOM 633 CB ARG A 43 3.844 -21.741 16.179 1.00 0.00 C ATOM 634 CG ARG A 43 2.759 -22.085 17.203 1.00 0.00 C ATOM 635 CD ARG A 43 1.658 -21.023 17.151 1.00 0.00 C ATOM 636 NE ARG A 43 0.864 -21.236 18.395 1.00 0.00 N ATOM 637 CZ ARG A 43 -0.195 -20.507 18.626 1.00 0.00 C ATOM 638 NH1 ARG A 43 -1.360 -20.888 18.177 1.00 0.00 N ATOM 639 NH2 ARG A 43 -0.088 -19.400 19.306 1.00 0.00 N ATOM 0 H ARG A 43 6.176 -21.865 15.392 1.00 0.00 H new ATOM 0 HA ARG A 43 4.113 -23.910 16.144 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.647 -21.181 16.658 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.432 -21.102 15.398 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.341 -23.069 16.990 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.189 -22.131 18.204 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.079 -20.018 17.118 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.038 -21.139 16.262 1.00 0.00 H new ATOM 0 HE ARG A 43 1.148 -21.951 19.065 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.443 -21.755 17.646 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.187 -20.319 18.357 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.822 -19.103 19.657 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.915 -18.830 19.487 1.00 0.00 H new ATOM 653 N GLN A 44 2.571 -23.483 14.039 1.00 0.00 N ATOM 654 CA GLN A 44 1.966 -23.682 12.693 1.00 0.00 C ATOM 655 C GLN A 44 0.542 -23.122 12.673 1.00 0.00 C ATOM 656 O GLN A 44 -0.238 -23.349 13.576 1.00 0.00 O ATOM 657 CB GLN A 44 1.949 -25.193 12.487 1.00 0.00 C ATOM 658 CG GLN A 44 1.374 -25.871 13.733 1.00 0.00 C ATOM 659 CD GLN A 44 0.572 -27.107 13.320 1.00 0.00 C ATOM 660 OE1 GLN A 44 -0.520 -27.327 13.804 1.00 0.00 O ATOM 661 NE2 GLN A 44 1.073 -27.932 12.440 1.00 0.00 N ATOM 0 H GLN A 44 1.921 -23.561 14.821 1.00 0.00 H new ATOM 0 HA GLN A 44 2.523 -23.171 11.907 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.348 -25.445 11.613 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.959 -25.556 12.295 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.180 -26.157 14.409 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.735 -25.175 14.276 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.990 -27.748 12.033 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.547 -28.760 12.160 1.00 0.00 H new ATOM 670 N VAL A 45 0.200 -22.390 11.649 1.00 0.00 N ATOM 671 CA VAL A 45 -1.173 -21.813 11.569 1.00 0.00 C ATOM 672 C VAL A 45 -1.938 -22.438 10.402 1.00 0.00 C ATOM 673 O VAL A 45 -1.350 -22.925 9.456 1.00 0.00 O ATOM 674 CB VAL A 45 -0.962 -20.319 11.330 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.310 -19.658 11.025 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.349 -19.682 12.578 1.00 0.00 C ATOM 0 H VAL A 45 0.811 -22.166 10.864 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.755 -22.003 12.471 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.288 -20.177 10.485 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.162 -18.592 10.854 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.744 -20.111 10.134 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.984 -19.800 11.870 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.199 -18.616 12.406 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.020 -19.822 13.425 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.610 -20.153 12.793 1.00 0.00 H new ATOM 686 N CYS A 46 -3.242 -22.422 10.457 1.00 0.00 N ATOM 687 CA CYS A 46 -4.038 -23.015 9.343 1.00 0.00 C ATOM 688 C CYS A 46 -4.858 -21.924 8.655 1.00 0.00 C ATOM 689 O CYS A 46 -5.632 -21.234 9.283 1.00 0.00 O ATOM 690 CB CYS A 46 -4.963 -24.032 10.011 1.00 0.00 C ATOM 691 SG CYS A 46 -4.296 -25.700 9.783 1.00 0.00 S ATOM 0 H CYS A 46 -3.789 -22.026 11.221 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.408 -23.477 8.583 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.058 -23.809 11.074 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.963 -23.967 9.581 1.00 0.00 H new ATOM 696 N ALA A 47 -4.696 -21.758 7.373 1.00 0.00 N ATOM 697 CA ALA A 47 -5.475 -20.703 6.665 1.00 0.00 C ATOM 698 C ALA A 47 -6.150 -21.275 5.419 1.00 0.00 C ATOM 699 O ALA A 47 -5.748 -22.289 4.887 1.00 0.00 O ATOM 700 CB ALA A 47 -4.449 -19.641 6.275 1.00 0.00 C ATOM 0 H ALA A 47 -4.063 -22.302 6.787 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.268 -20.296 7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.949 -18.829 5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.970 -19.250 7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.695 -20.085 5.626 1.00 0.00 H new ATOM 706 N LYS A 48 -7.174 -20.620 4.948 1.00 0.00 N ATOM 707 CA LYS A 48 -7.884 -21.109 3.732 1.00 0.00 C ATOM 708 C LYS A 48 -6.989 -20.941 2.502 1.00 0.00 C ATOM 709 O LYS A 48 -5.896 -20.420 2.596 1.00 0.00 O ATOM 710 CB LYS A 48 -9.123 -20.222 3.618 1.00 0.00 C ATOM 711 CG LYS A 48 -10.371 -21.044 3.938 1.00 0.00 C ATOM 712 CD LYS A 48 -11.562 -20.105 4.145 1.00 0.00 C ATOM 713 CE LYS A 48 -11.863 -19.367 2.839 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.189 -18.723 3.062 1.00 0.00 N ATOM 0 H LYS A 48 -7.552 -19.764 5.354 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.144 -22.166 3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.044 -19.379 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.195 -19.808 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.580 -21.739 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.206 -21.642 4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.436 -20.673 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.341 -19.389 4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.095 -18.625 2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.894 -20.055 1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.467 -18.196 2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.900 -19.454 3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.126 -18.069 3.868 1.00 0.00 H new ATOM 728 N PRO A 49 -7.489 -21.388 1.383 1.00 0.00 N ATOM 729 CA PRO A 49 -6.728 -21.280 0.116 1.00 0.00 C ATOM 730 C PRO A 49 -6.728 -19.830 -0.375 1.00 0.00 C ATOM 731 O PRO A 49 -5.750 -19.343 -0.908 1.00 0.00 O ATOM 732 CB PRO A 49 -7.500 -22.179 -0.843 1.00 0.00 C ATOM 733 CG PRO A 49 -8.894 -22.221 -0.300 1.00 0.00 C ATOM 734 CD PRO A 49 -8.797 -22.027 1.192 1.00 0.00 C ATOM 0 HA PRO A 49 -5.682 -21.572 0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.484 -21.780 -1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.063 -23.177 -0.886 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.506 -21.440 -0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.370 -23.173 -0.534 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.606 -21.400 1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.858 -22.977 1.723 1.00 0.00 H new ATOM 742 N SER A 50 -7.820 -19.138 -0.196 1.00 0.00 N ATOM 743 CA SER A 50 -7.890 -17.718 -0.647 1.00 0.00 C ATOM 744 C SER A 50 -8.357 -16.822 0.504 1.00 0.00 C ATOM 745 O SER A 50 -9.065 -15.855 0.305 1.00 0.00 O ATOM 746 CB SER A 50 -8.920 -17.716 -1.778 1.00 0.00 C ATOM 747 OG SER A 50 -8.323 -18.223 -2.963 1.00 0.00 O ATOM 0 H SER A 50 -8.668 -19.495 0.244 1.00 0.00 H new ATOM 0 HA SER A 50 -6.922 -17.338 -0.974 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.780 -18.326 -1.502 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.288 -16.704 -1.948 1.00 0.00 H new ATOM 0 HG SER A 50 -8.983 -18.224 -3.687 1.00 0.00 H new ATOM 753 N GLY A 51 -7.969 -17.139 1.710 1.00 0.00 N ATOM 754 CA GLY A 51 -8.391 -16.310 2.875 1.00 0.00 C ATOM 755 C GLY A 51 -7.808 -14.901 2.742 1.00 0.00 C ATOM 756 O GLY A 51 -6.695 -14.728 2.286 1.00 0.00 O ATOM 0 H GLY A 51 -7.377 -17.938 1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.479 -16.261 2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.050 -16.769 3.803 1.00 0.00 H new ATOM 760 N PRO A 52 -8.588 -13.937 3.152 1.00 0.00 N ATOM 761 CA PRO A 52 -8.152 -12.520 3.082 1.00 0.00 C ATOM 762 C PRO A 52 -7.022 -12.260 4.080 1.00 0.00 C ATOM 763 O PRO A 52 -7.254 -11.912 5.222 1.00 0.00 O ATOM 764 CB PRO A 52 -9.409 -11.739 3.459 1.00 0.00 C ATOM 765 CG PRO A 52 -10.224 -12.698 4.266 1.00 0.00 C ATOM 766 CD PRO A 52 -9.934 -14.072 3.720 1.00 0.00 C ATOM 0 HA PRO A 52 -7.761 -12.238 2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.163 -10.847 4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.950 -11.408 2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.961 -12.637 5.322 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.286 -12.466 4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.965 -14.830 4.503 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.662 -14.365 2.963 1.00 0.00 H new ATOM 774 N GLY A 53 -5.799 -12.427 3.657 1.00 0.00 N ATOM 775 CA GLY A 53 -4.653 -12.191 4.576 1.00 0.00 C ATOM 776 C GLY A 53 -3.587 -13.261 4.340 1.00 0.00 C ATOM 777 O GLY A 53 -2.406 -13.021 4.500 1.00 0.00 O ATOM 0 H GLY A 53 -5.545 -12.717 2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.233 -11.200 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.991 -12.220 5.612 1.00 0.00 H new ATOM 781 N VAL A 54 -3.992 -14.441 3.958 1.00 0.00 N ATOM 782 CA VAL A 54 -2.999 -15.525 3.711 1.00 0.00 C ATOM 783 C VAL A 54 -2.043 -15.112 2.594 1.00 0.00 C ATOM 784 O VAL A 54 -0.857 -15.370 2.653 1.00 0.00 O ATOM 785 CB VAL A 54 -3.832 -16.735 3.291 1.00 0.00 C ATOM 786 CG1 VAL A 54 -2.911 -17.837 2.761 1.00 0.00 C ATOM 787 CG2 VAL A 54 -4.610 -17.257 4.499 1.00 0.00 C ATOM 0 H VAL A 54 -4.966 -14.701 3.806 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.388 -15.740 4.588 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.529 -16.441 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.509 -18.698 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.356 -17.464 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.212 -18.134 3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.206 -18.121 4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.911 -17.550 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.269 -16.473 4.874 1.00 0.00 H new ATOM 797 N GLN A 55 -2.545 -14.468 1.578 1.00 0.00 N ATOM 798 CA GLN A 55 -1.650 -14.040 0.471 1.00 0.00 C ATOM 799 C GLN A 55 -0.704 -12.961 0.984 1.00 0.00 C ATOM 800 O GLN A 55 0.390 -12.793 0.489 1.00 0.00 O ATOM 801 CB GLN A 55 -2.579 -13.478 -0.606 1.00 0.00 C ATOM 802 CG GLN A 55 -2.577 -14.412 -1.818 1.00 0.00 C ATOM 803 CD GLN A 55 -3.738 -15.402 -1.702 1.00 0.00 C ATOM 804 OE1 GLN A 55 -4.884 -15.034 -1.868 1.00 0.00 O ATOM 805 NE2 GLN A 55 -3.488 -16.652 -1.425 1.00 0.00 N ATOM 0 H GLN A 55 -3.529 -14.222 1.467 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.041 -14.855 0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.591 -13.377 -0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.251 -12.481 -0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.670 -13.833 -2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.631 -14.950 -1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.526 -16.961 -1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.255 -17.320 -1.348 1.00 0.00 H new ATOM 814 N ASP A 56 -1.114 -12.242 1.992 1.00 0.00 N ATOM 815 CA ASP A 56 -0.233 -11.192 2.557 1.00 0.00 C ATOM 816 C ASP A 56 0.957 -11.853 3.254 1.00 0.00 C ATOM 817 O ASP A 56 2.085 -11.422 3.117 1.00 0.00 O ATOM 818 CB ASP A 56 -1.103 -10.439 3.559 1.00 0.00 C ATOM 819 CG ASP A 56 -1.604 -9.139 2.925 1.00 0.00 C ATOM 820 OD1 ASP A 56 -0.856 -8.175 2.932 1.00 0.00 O ATOM 821 OD2 ASP A 56 -2.725 -9.131 2.444 1.00 0.00 O ATOM 0 H ASP A 56 -2.022 -12.339 2.446 1.00 0.00 H new ATOM 0 HA ASP A 56 0.168 -10.520 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.948 -11.058 3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.531 -10.219 4.461 1.00 0.00 H new ATOM 826 N CYS A 57 0.720 -12.910 3.988 1.00 0.00 N ATOM 827 CA CYS A 57 1.853 -13.595 4.666 1.00 0.00 C ATOM 828 C CYS A 57 2.784 -14.189 3.612 1.00 0.00 C ATOM 829 O CYS A 57 3.993 -14.124 3.724 1.00 0.00 O ATOM 830 CB CYS A 57 1.221 -14.701 5.513 1.00 0.00 C ATOM 831 SG CYS A 57 0.232 -13.989 6.856 1.00 0.00 S ATOM 0 H CYS A 57 -0.200 -13.322 4.144 1.00 0.00 H new ATOM 0 HA CYS A 57 2.442 -12.916 5.283 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.592 -15.332 4.886 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.001 -15.340 5.927 1.00 0.00 H new ATOM 836 N MET A 58 2.227 -14.757 2.578 1.00 0.00 N ATOM 837 CA MET A 58 3.080 -15.342 1.509 1.00 0.00 C ATOM 838 C MET A 58 3.820 -14.223 0.775 1.00 0.00 C ATOM 839 O MET A 58 4.911 -14.413 0.274 1.00 0.00 O ATOM 840 CB MET A 58 2.115 -16.050 0.564 1.00 0.00 C ATOM 841 CG MET A 58 1.253 -17.040 1.351 1.00 0.00 C ATOM 842 SD MET A 58 -0.251 -17.404 0.412 1.00 0.00 S ATOM 843 CE MET A 58 -0.513 -19.077 1.047 1.00 0.00 C ATOM 0 H MET A 58 1.221 -14.841 2.429 1.00 0.00 H new ATOM 0 HA MET A 58 3.830 -16.028 1.904 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.480 -15.319 0.063 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.671 -16.575 -0.213 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.811 -17.958 1.536 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.995 -16.622 2.324 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.547 -19.374 0.873 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.155 -19.769 0.534 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.304 -19.097 2.117 1.00 0.00 H new ATOM 853 N LYS A 59 3.241 -13.053 0.718 1.00 0.00 N ATOM 854 CA LYS A 59 3.920 -11.927 0.030 1.00 0.00 C ATOM 855 C LYS A 59 5.165 -11.542 0.824 1.00 0.00 C ATOM 856 O LYS A 59 6.217 -11.289 0.272 1.00 0.00 O ATOM 857 CB LYS A 59 2.899 -10.792 0.033 1.00 0.00 C ATOM 858 CG LYS A 59 2.181 -10.750 -1.317 1.00 0.00 C ATOM 859 CD LYS A 59 1.621 -9.347 -1.555 1.00 0.00 C ATOM 860 CE LYS A 59 1.025 -9.269 -2.962 1.00 0.00 C ATOM 861 NZ LYS A 59 1.706 -8.107 -3.601 1.00 0.00 N ATOM 0 H LYS A 59 2.329 -12.833 1.119 1.00 0.00 H new ATOM 0 HA LYS A 59 4.239 -12.171 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.177 -10.940 0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.397 -9.841 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.872 -11.018 -2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.374 -11.483 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.858 -9.117 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.411 -8.604 -1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.205 -10.188 -3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.055 -9.124 -2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.351 -7.987 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.511 -7.245 -3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.732 -8.277 -3.626 1.00 0.00 H new ATOM 875 N LYS A 60 5.054 -11.519 2.124 1.00 0.00 N ATOM 876 CA LYS A 60 6.232 -11.176 2.962 1.00 0.00 C ATOM 877 C LYS A 60 7.269 -12.294 2.854 1.00 0.00 C ATOM 878 O LYS A 60 8.454 -12.076 3.022 1.00 0.00 O ATOM 879 CB LYS A 60 5.693 -11.076 4.390 1.00 0.00 C ATOM 880 CG LYS A 60 6.847 -10.786 5.350 1.00 0.00 C ATOM 881 CD LYS A 60 7.374 -9.371 5.102 1.00 0.00 C ATOM 882 CE LYS A 60 8.788 -9.246 5.673 1.00 0.00 C ATOM 883 NZ LYS A 60 9.625 -8.788 4.528 1.00 0.00 N ATOM 0 H LYS A 60 4.198 -11.723 2.640 1.00 0.00 H new ATOM 0 HA LYS A 60 6.715 -10.249 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.945 -10.285 4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.198 -12.006 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.509 -10.884 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.646 -11.514 5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.382 -9.156 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.715 -8.639 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.820 -8.532 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.142 -10.200 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.611 -8.679 4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.580 -9.491 3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.269 -7.875 4.181 1.00 0.00 H new ATOM 897 N LEU A 61 6.833 -13.493 2.566 1.00 0.00 N ATOM 898 CA LEU A 61 7.796 -14.623 2.437 1.00 0.00 C ATOM 899 C LEU A 61 8.578 -14.493 1.128 1.00 0.00 C ATOM 900 O LEU A 61 9.471 -15.267 0.845 1.00 0.00 O ATOM 901 CB LEU A 61 6.932 -15.886 2.422 1.00 0.00 C ATOM 902 CG LEU A 61 7.350 -16.824 3.561 1.00 0.00 C ATOM 903 CD1 LEU A 61 8.879 -16.908 3.629 1.00 0.00 C ATOM 904 CD2 LEU A 61 6.805 -16.290 4.888 1.00 0.00 C ATOM 0 H LEU A 61 5.854 -13.737 2.415 1.00 0.00 H new ATOM 0 HA LEU A 61 8.525 -14.642 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.881 -15.618 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.036 -16.396 1.464 1.00 0.00 H new ATOM 0 HG LEU A 61 6.945 -17.819 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.171 -17.576 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.265 -17.293 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.290 -15.915 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.102 -16.956 5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.207 -15.294 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.717 -16.239 4.840 1.00 0.00 H new