USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 7 CYS SG : rot 16:sc= -2.13! USER MOD Set 1.2: A 9 CYS SG : rot 180:sc= -1.9! USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0601) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0788 (180deg=-0.271) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.196 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 170:sc= -0.125 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.8) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0357) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 49:sc= 0.0104 USER MOD Single : A 63 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.63) USER MOD Single : A 65 THR OG1 : rot 54:sc= 0.154 USER MOD Single : A 66 ASN : amide:sc= -0.499 X(o=-0.5,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -124:sc= 0.019 (180deg=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.919 -12.746 6.814 1.00 0.00 N ATOM 2 CA MET A 1 -7.918 -12.119 5.911 1.00 0.00 C ATOM 3 C MET A 1 -7.794 -10.623 6.178 1.00 0.00 C ATOM 4 O MET A 1 -8.571 -10.052 6.943 1.00 0.00 O ATOM 5 CB MET A 1 -8.351 -12.365 4.464 1.00 0.00 C ATOM 6 CG MET A 1 -9.740 -11.838 4.145 1.00 0.00 C ATOM 7 SD MET A 1 -10.919 -13.155 3.792 1.00 0.00 S ATOM 8 CE MET A 1 -12.430 -12.444 4.442 1.00 0.00 C ATOM 0 H1 MET A 1 -9.551 -13.358 6.260 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.429 -13.315 7.533 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.478 -12.004 7.282 1.00 0.00 H new ATOM 0 HA MET A 1 -6.940 -12.565 6.093 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.631 -11.896 3.794 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.323 -13.436 4.263 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.102 -11.247 4.986 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.682 -11.168 3.287 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.211 -13.204 4.460 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.255 -12.080 5.454 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.744 -11.615 3.808 1.00 0.00 H new ATOM 20 N TYR A 2 -6.811 -9.993 5.542 1.00 0.00 N ATOM 21 CA TYR A 2 -6.587 -8.561 5.708 1.00 0.00 C ATOM 22 C TYR A 2 -6.344 -7.884 4.361 1.00 0.00 C ATOM 23 O TYR A 2 -6.003 -8.539 3.376 1.00 0.00 O ATOM 24 CB TYR A 2 -5.398 -8.308 6.639 1.00 0.00 C ATOM 25 CG TYR A 2 -5.698 -8.559 8.101 1.00 0.00 C ATOM 26 CD1 TYR A 2 -6.816 -7.999 8.709 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.856 -9.347 8.877 1.00 0.00 C ATOM 28 CE1 TYR A 2 -7.089 -8.223 10.045 1.00 0.00 C ATOM 29 CE2 TYR A 2 -5.123 -9.576 10.214 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.241 -9.012 10.792 1.00 0.00 C ATOM 31 OH TYR A 2 -6.510 -9.237 12.123 1.00 0.00 O ATOM 0 H TYR A 2 -6.157 -10.451 4.907 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.485 -8.133 6.153 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -4.568 -8.946 6.334 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.068 -7.276 6.518 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.482 -7.379 8.128 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -3.978 -9.788 8.428 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.963 -7.782 10.502 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -4.460 -10.193 10.802 1.00 0.00 H new ATOM 0 HH TYR A 2 -5.816 -9.814 12.504 1.00 0.00 H new ATOM 41 N ILE A 3 -6.540 -6.572 4.329 1.00 0.00 N ATOM 42 CA ILE A 3 -6.348 -5.789 3.116 1.00 0.00 C ATOM 43 C ILE A 3 -5.447 -4.590 3.385 1.00 0.00 C ATOM 44 O ILE A 3 -5.319 -4.147 4.524 1.00 0.00 O ATOM 45 CB ILE A 3 -7.692 -5.279 2.562 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.471 -4.545 3.654 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.515 -6.427 2.003 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.389 -3.471 3.119 1.00 0.00 C ATOM 0 H ILE A 3 -6.835 -6.024 5.137 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.881 -6.445 2.381 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.486 -4.581 1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.060 -5.268 4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.766 -4.095 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.460 -6.043 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.964 -6.911 1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.713 -7.151 2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.910 -2.992 3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.803 -2.727 2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.117 -3.919 2.443 1.00 0.00 H new ATOM 60 N ILE A 4 -4.847 -4.049 2.329 1.00 0.00 N ATOM 61 CA ILE A 4 -3.987 -2.881 2.459 1.00 0.00 C ATOM 62 C ILE A 4 -4.473 -1.762 1.535 1.00 0.00 C ATOM 63 O ILE A 4 -5.070 -2.022 0.490 1.00 0.00 O ATOM 64 CB ILE A 4 -2.509 -3.240 2.167 1.00 0.00 C ATOM 65 CG1 ILE A 4 -1.875 -3.881 3.404 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.702 -2.022 1.742 1.00 0.00 C ATOM 67 CD1 ILE A 4 -1.994 -5.387 3.439 1.00 0.00 C ATOM 0 H ILE A 4 -4.941 -4.401 1.376 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.041 -2.527 3.489 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.498 -3.948 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.820 -3.608 3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.344 -3.468 4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.671 -2.318 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.135 -1.597 0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.721 -1.277 2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.522 -5.768 4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.047 -5.669 3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.499 -5.811 2.565 1.00 0.00 H new ATOM 79 N PHE A 5 -4.259 -0.517 1.947 1.00 0.00 N ATOM 80 CA PHE A 5 -4.714 0.632 1.171 1.00 0.00 C ATOM 81 C PHE A 5 -3.710 1.777 1.257 1.00 0.00 C ATOM 82 O PHE A 5 -2.577 1.579 1.690 1.00 0.00 O ATOM 83 CB PHE A 5 -6.082 1.104 1.669 1.00 0.00 C ATOM 84 CG PHE A 5 -6.442 0.622 3.045 1.00 0.00 C ATOM 85 CD1 PHE A 5 -7.012 -0.627 3.232 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.238 1.431 4.149 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.349 -1.067 4.497 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.585 1.001 5.413 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.134 -0.251 5.588 1.00 0.00 C ATOM 0 H PHE A 5 -3.774 -0.278 2.812 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.801 0.322 0.130 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.101 2.194 1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.846 0.768 0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.195 -1.264 2.379 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.802 2.411 4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.780 -2.048 4.632 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.427 1.645 6.265 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.396 -0.593 6.579 1.00 0.00 H new ATOM 99 N ARG A 6 -4.120 2.971 0.832 1.00 0.00 N ATOM 100 CA ARG A 6 -3.229 4.127 0.853 1.00 0.00 C ATOM 101 C ARG A 6 -3.975 5.414 1.196 1.00 0.00 C ATOM 102 O ARG A 6 -4.899 5.819 0.488 1.00 0.00 O ATOM 103 CB ARG A 6 -2.536 4.281 -0.503 1.00 0.00 C ATOM 104 CG ARG A 6 -1.380 3.317 -0.712 1.00 0.00 C ATOM 105 CD ARG A 6 -0.233 3.974 -1.461 1.00 0.00 C ATOM 106 NE ARG A 6 -0.189 3.566 -2.863 1.00 0.00 N ATOM 107 CZ ARG A 6 -0.621 4.324 -3.867 1.00 0.00 C ATOM 108 NH1 ARG A 6 -1.128 5.526 -3.624 1.00 0.00 N ATOM 109 NH2 ARG A 6 -0.547 3.880 -5.114 1.00 0.00 N ATOM 0 H ARG A 6 -5.055 3.161 0.472 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.485 3.952 1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.270 4.131 -1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.167 5.302 -0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.026 2.957 0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.727 2.446 -1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.335 5.058 -1.402 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.710 3.716 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 6 0.195 2.647 -3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.187 5.870 -2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.459 6.106 -4.396 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.159 2.956 -5.304 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.879 4.462 -5.883 1.00 0.00 H new ATOM 123 N CYS A 7 -3.549 6.073 2.269 1.00 0.00 N ATOM 124 CA CYS A 7 -4.145 7.339 2.668 1.00 0.00 C ATOM 125 C CYS A 7 -3.607 8.466 1.796 1.00 0.00 C ATOM 126 O CYS A 7 -2.508 8.358 1.248 1.00 0.00 O ATOM 127 CB CYS A 7 -3.865 7.632 4.140 1.00 0.00 C ATOM 128 SG CYS A 7 -4.880 8.956 4.836 1.00 0.00 S ATOM 0 H CYS A 7 -2.795 5.751 2.875 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.224 7.269 2.534 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.028 6.722 4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.814 7.897 4.253 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.884 9.194 4.045 1.00 0.00 H new ATOM 134 N ASP A 8 -4.351 9.570 1.736 1.00 0.00 N ATOM 135 CA ASP A 8 -3.975 10.703 0.892 1.00 0.00 C ATOM 136 C ASP A 8 -2.621 11.269 1.297 1.00 0.00 C ATOM 137 O ASP A 8 -1.963 11.948 0.508 1.00 0.00 O ATOM 138 CB ASP A 8 -5.041 11.797 0.974 1.00 0.00 C ATOM 139 CG ASP A 8 -6.430 11.278 0.658 1.00 0.00 C ATOM 140 OD1 ASP A 8 -6.584 10.581 -0.367 1.00 0.00 O ATOM 141 OD2 ASP A 8 -7.363 11.569 1.435 1.00 0.00 O ATOM 0 H ASP A 8 -5.216 9.704 2.261 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.901 10.346 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.037 12.230 1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.789 12.598 0.279 1.00 0.00 H new ATOM 146 N CYS A 9 -2.193 10.959 2.514 1.00 0.00 N ATOM 147 CA CYS A 9 -0.884 11.387 2.990 1.00 0.00 C ATOM 148 C CYS A 9 0.212 10.580 2.302 1.00 0.00 C ATOM 149 O CYS A 9 1.394 10.712 2.620 1.00 0.00 O ATOM 150 CB CYS A 9 -0.787 11.214 4.505 1.00 0.00 C ATOM 151 SG CYS A 9 -2.156 11.955 5.422 1.00 0.00 S ATOM 0 H CYS A 9 -2.731 10.414 3.188 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.753 12.442 2.749 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.743 10.150 4.736 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.148 11.654 4.851 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.985 11.754 6.695 1.00 0.00 H new ATOM 157 N GLY A 10 -0.201 9.731 1.363 1.00 0.00 N ATOM 158 CA GLY A 10 0.734 8.884 0.651 1.00 0.00 C ATOM 159 C GLY A 10 1.139 7.677 1.468 1.00 0.00 C ATOM 160 O GLY A 10 2.062 6.949 1.101 1.00 0.00 O ATOM 0 H GLY A 10 -1.175 9.617 1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.284 8.554 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.622 9.461 0.392 1.00 0.00 H new ATOM 164 N ARG A 11 0.507 7.519 2.627 1.00 0.00 N ATOM 165 CA ARG A 11 0.809 6.394 3.512 1.00 0.00 C ATOM 166 C ARG A 11 -0.004 5.157 3.136 1.00 0.00 C ATOM 167 O ARG A 11 -0.554 5.073 2.038 1.00 0.00 O ATOM 168 CB ARG A 11 0.571 6.776 4.978 1.00 0.00 C ATOM 169 CG ARG A 11 -0.894 6.904 5.355 1.00 0.00 C ATOM 170 CD ARG A 11 -1.064 7.302 6.813 1.00 0.00 C ATOM 171 NE ARG A 11 -0.094 6.638 7.682 1.00 0.00 N ATOM 172 CZ ARG A 11 0.513 7.237 8.704 1.00 0.00 C ATOM 173 NH1 ARG A 11 0.252 8.506 8.985 1.00 0.00 N ATOM 174 NH2 ARG A 11 1.382 6.564 9.444 1.00 0.00 N ATOM 0 H ARG A 11 -0.214 8.151 2.976 1.00 0.00 H new ATOM 0 HA ARG A 11 1.864 6.148 3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.036 6.026 5.618 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.072 7.723 5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.371 7.647 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.401 5.956 5.174 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.955 8.382 6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.073 7.053 7.141 1.00 0.00 H new ATOM 0 HE ARG A 11 0.130 5.661 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.416 9.027 8.417 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.719 8.961 9.769 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.585 5.588 9.230 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.848 7.022 10.227 1.00 0.00 H new ATOM 188 N ALA A 12 -0.079 4.203 4.061 1.00 0.00 N ATOM 189 CA ALA A 12 -0.825 2.969 3.837 1.00 0.00 C ATOM 190 C ALA A 12 -1.256 2.344 5.161 1.00 0.00 C ATOM 191 O ALA A 12 -0.641 2.592 6.199 1.00 0.00 O ATOM 192 CB ALA A 12 0.015 1.986 3.038 1.00 0.00 C ATOM 0 H ALA A 12 0.370 4.262 4.975 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.723 3.211 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.552 1.069 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.273 2.427 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.928 1.756 3.588 1.00 0.00 H new ATOM 198 N LEU A 13 -2.320 1.544 5.124 1.00 0.00 N ATOM 199 CA LEU A 13 -2.812 0.881 6.332 1.00 0.00 C ATOM 200 C LEU A 13 -3.369 -0.508 6.017 1.00 0.00 C ATOM 201 O LEU A 13 -3.308 -0.967 4.876 1.00 0.00 O ATOM 202 CB LEU A 13 -3.883 1.737 7.010 1.00 0.00 C ATOM 203 CG LEU A 13 -3.347 2.863 7.895 1.00 0.00 C ATOM 204 CD1 LEU A 13 -4.311 4.039 7.904 1.00 0.00 C ATOM 205 CD2 LEU A 13 -3.105 2.357 9.309 1.00 0.00 C ATOM 0 H LEU A 13 -2.854 1.340 4.280 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.969 0.760 7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.520 2.173 6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.515 1.088 7.617 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.397 3.203 7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.913 4.831 8.539 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.435 4.416 6.889 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.277 3.715 8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.724 3.170 9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.041 1.991 9.730 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.376 1.547 9.286 1.00 0.00 H new ATOM 217 N TYR A 14 -3.907 -1.172 7.039 1.00 0.00 N ATOM 218 CA TYR A 14 -4.465 -2.514 6.880 1.00 0.00 C ATOM 219 C TYR A 14 -5.785 -2.658 7.643 1.00 0.00 C ATOM 220 O TYR A 14 -5.949 -2.100 8.728 1.00 0.00 O ATOM 221 CB TYR A 14 -3.466 -3.564 7.371 1.00 0.00 C ATOM 222 CG TYR A 14 -3.219 -3.525 8.862 1.00 0.00 C ATOM 223 CD1 TYR A 14 -2.364 -2.583 9.421 1.00 0.00 C ATOM 224 CD2 TYR A 14 -3.840 -4.433 9.711 1.00 0.00 C ATOM 225 CE1 TYR A 14 -2.136 -2.546 10.783 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.616 -4.403 11.074 1.00 0.00 C ATOM 227 CZ TYR A 14 -2.765 -3.458 11.605 1.00 0.00 C ATOM 228 OH TYR A 14 -2.541 -3.426 12.963 1.00 0.00 O ATOM 0 H TYR A 14 -3.968 -0.802 7.987 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.662 -2.671 5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.832 -4.554 7.099 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.518 -3.420 6.852 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.870 -1.868 8.780 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.509 -5.174 9.299 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.469 -1.807 11.202 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.105 -5.117 11.720 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.061 -4.134 13.397 1.00 0.00 H new ATOM 238 N SER A 15 -6.720 -3.410 7.066 1.00 0.00 N ATOM 239 CA SER A 15 -8.019 -3.644 7.693 1.00 0.00 C ATOM 240 C SER A 15 -8.640 -4.938 7.176 1.00 0.00 C ATOM 241 O SER A 15 -7.990 -5.706 6.472 1.00 0.00 O ATOM 242 CB SER A 15 -8.963 -2.470 7.424 1.00 0.00 C ATOM 243 OG SER A 15 -10.111 -2.537 8.252 1.00 0.00 O ATOM 0 H SER A 15 -6.602 -3.869 6.163 1.00 0.00 H new ATOM 0 HA SER A 15 -7.865 -3.734 8.768 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.439 -1.531 7.600 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.266 -2.475 6.377 1.00 0.00 H new ATOM 0 HG SER A 15 -10.697 -1.775 8.061 1.00 0.00 H new ATOM 249 N ARG A 16 -9.895 -5.182 7.537 1.00 0.00 N ATOM 250 CA ARG A 16 -10.593 -6.382 7.091 1.00 0.00 C ATOM 251 C ARG A 16 -11.030 -6.252 5.634 1.00 0.00 C ATOM 252 O ARG A 16 -11.349 -5.159 5.167 1.00 0.00 O ATOM 253 CB ARG A 16 -11.803 -6.664 7.982 1.00 0.00 C ATOM 254 CG ARG A 16 -12.999 -5.769 7.702 1.00 0.00 C ATOM 255 CD ARG A 16 -14.284 -6.577 7.624 1.00 0.00 C ATOM 256 NE ARG A 16 -14.821 -6.881 8.947 1.00 0.00 N ATOM 257 CZ ARG A 16 -14.809 -8.096 9.487 1.00 0.00 C ATOM 258 NH1 ARG A 16 -14.290 -9.119 8.819 1.00 0.00 N ATOM 259 NH2 ARG A 16 -15.316 -8.291 10.696 1.00 0.00 N ATOM 0 H ARG A 16 -10.448 -4.568 8.135 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.900 -7.220 7.167 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.102 -7.704 7.852 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.509 -6.545 9.025 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.086 -5.018 8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.845 -5.234 6.765 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -15.026 -6.022 7.050 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.095 -7.507 7.087 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.228 -6.118 9.488 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.899 -8.974 7.888 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.283 -10.050 9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.716 -7.508 11.214 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.306 -9.224 11.109 1.00 0.00 H new ATOM 273 N GLU A 17 -11.033 -7.376 4.922 1.00 0.00 N ATOM 274 CA GLU A 17 -11.431 -7.395 3.518 1.00 0.00 C ATOM 275 C GLU A 17 -12.827 -6.810 3.331 1.00 0.00 C ATOM 276 O GLU A 17 -13.825 -7.433 3.696 1.00 0.00 O ATOM 277 CB GLU A 17 -11.391 -8.826 2.978 1.00 0.00 C ATOM 278 CG GLU A 17 -11.352 -8.902 1.460 1.00 0.00 C ATOM 279 CD GLU A 17 -12.292 -9.954 0.905 1.00 0.00 C ATOM 280 OE1 GLU A 17 -13.471 -9.626 0.659 1.00 0.00 O ATOM 281 OE2 GLU A 17 -11.848 -11.106 0.713 1.00 0.00 O ATOM 0 H GLU A 17 -10.764 -8.286 5.295 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.725 -6.778 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.515 -9.334 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.266 -9.366 3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.615 -7.929 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.335 -9.122 1.137 1.00 0.00 H new ATOM 288 N GLY A 18 -12.893 -5.616 2.748 1.00 0.00 N ATOM 289 CA GLY A 18 -14.176 -4.978 2.510 1.00 0.00 C ATOM 290 C GLY A 18 -14.138 -3.477 2.718 1.00 0.00 C ATOM 291 O GLY A 18 -15.116 -2.784 2.438 1.00 0.00 O ATOM 0 H GLY A 18 -12.083 -5.080 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.498 -5.190 1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.921 -5.413 3.176 1.00 0.00 H new ATOM 295 N ALA A 19 -13.017 -2.973 3.228 1.00 0.00 N ATOM 296 CA ALA A 19 -12.867 -1.543 3.472 1.00 0.00 C ATOM 297 C ALA A 19 -12.652 -0.783 2.169 1.00 0.00 C ATOM 298 O ALA A 19 -11.619 -0.932 1.517 1.00 0.00 O ATOM 299 CB ALA A 19 -11.720 -1.285 4.435 1.00 0.00 C ATOM 0 H ALA A 19 -12.202 -3.533 3.479 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.790 -1.180 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.622 -0.213 4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.920 -1.786 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.794 -1.670 4.009 1.00 0.00 H new ATOM 305 N LYS A 20 -13.635 0.029 1.794 1.00 0.00 N ATOM 306 CA LYS A 20 -13.549 0.821 0.574 1.00 0.00 C ATOM 307 C LYS A 20 -12.900 2.172 0.853 1.00 0.00 C ATOM 308 O LYS A 20 -12.055 2.639 0.088 1.00 0.00 O ATOM 309 CB LYS A 20 -14.942 1.026 -0.024 1.00 0.00 C ATOM 310 CG LYS A 20 -15.553 -0.244 -0.594 1.00 0.00 C ATOM 311 CD LYS A 20 -16.685 -0.759 0.280 1.00 0.00 C ATOM 312 CE LYS A 20 -17.026 -2.204 -0.047 1.00 0.00 C ATOM 313 NZ LYS A 20 -18.025 -2.768 0.904 1.00 0.00 N ATOM 0 H LYS A 20 -14.501 0.155 2.318 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.931 0.279 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.604 1.424 0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.883 1.776 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.928 -0.049 -1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.783 -1.011 -0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.401 -0.679 1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.568 -0.135 0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.417 -2.264 -1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.118 -2.806 -0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.231 -3.755 0.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.642 -2.735 1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.901 -2.209 0.859 1.00 0.00 H new ATOM 327 N THR A 21 -13.303 2.799 1.954 1.00 0.00 N ATOM 328 CA THR A 21 -12.760 4.096 2.334 1.00 0.00 C ATOM 329 C THR A 21 -12.645 4.221 3.849 1.00 0.00 C ATOM 330 O THR A 21 -13.651 4.300 4.554 1.00 0.00 O ATOM 331 CB THR A 21 -13.639 5.221 1.785 1.00 0.00 C ATOM 332 OG1 THR A 21 -14.976 4.779 1.624 1.00 0.00 O ATOM 333 CG2 THR A 21 -13.166 5.753 0.450 1.00 0.00 C ATOM 0 H THR A 21 -14.003 2.429 2.597 1.00 0.00 H new ATOM 0 HA THR A 21 -11.761 4.180 1.906 1.00 0.00 H new ATOM 0 HB THR A 21 -13.574 6.023 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.523 5.513 1.274 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.834 6.548 0.118 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.155 6.147 0.553 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.168 4.947 -0.284 1.00 0.00 H new ATOM 341 N ARG A 22 -11.411 4.259 4.341 1.00 0.00 N ATOM 342 CA ARG A 22 -11.163 4.398 5.770 1.00 0.00 C ATOM 343 C ARG A 22 -11.107 5.870 6.157 1.00 0.00 C ATOM 344 O ARG A 22 -11.391 6.745 5.339 1.00 0.00 O ATOM 345 CB ARG A 22 -9.854 3.705 6.154 1.00 0.00 C ATOM 346 CG ARG A 22 -10.018 2.662 7.247 1.00 0.00 C ATOM 347 CD ARG A 22 -8.823 2.648 8.188 1.00 0.00 C ATOM 348 NE ARG A 22 -9.199 2.244 9.539 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.614 2.711 10.638 1.00 0.00 C ATOM 350 NH1 ARG A 22 -7.629 3.595 10.545 1.00 0.00 N ATOM 351 NH2 ARG A 22 -9.013 2.294 11.831 1.00 0.00 N ATOM 0 H ARG A 22 -10.568 4.195 3.771 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.982 3.923 6.310 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.431 3.229 5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.138 4.457 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.926 2.867 7.814 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.139 1.677 6.796 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.065 1.966 7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.373 3.640 8.218 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.953 1.565 9.646 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.319 3.918 9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.182 3.951 11.390 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.770 1.614 11.907 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.563 2.653 12.673 1.00 0.00 H new ATOM 365 N LYS A 23 -10.750 6.143 7.408 1.00 0.00 N ATOM 366 CA LYS A 23 -10.671 7.515 7.890 1.00 0.00 C ATOM 367 C LYS A 23 -9.639 7.646 9.001 1.00 0.00 C ATOM 368 O LYS A 23 -9.543 6.789 9.879 1.00 0.00 O ATOM 369 CB LYS A 23 -12.040 7.974 8.394 1.00 0.00 C ATOM 370 CG LYS A 23 -12.174 9.483 8.505 1.00 0.00 C ATOM 371 CD LYS A 23 -13.631 9.914 8.500 1.00 0.00 C ATOM 372 CE LYS A 23 -14.070 10.414 9.867 1.00 0.00 C ATOM 373 NZ LYS A 23 -15.540 10.642 9.929 1.00 0.00 N ATOM 0 H LYS A 23 -10.512 5.435 8.103 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.362 8.149 7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.810 7.598 7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.226 7.528 9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.695 9.825 9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.650 9.958 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.776 10.701 7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.259 9.075 8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.783 9.689 10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.548 11.343 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.799 10.982 10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.811 11.353 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.038 9.750 9.733 1.00 0.00 H new ATOM 387 N CYS A 24 -8.880 8.734 8.962 1.00 0.00 N ATOM 388 CA CYS A 24 -7.865 8.992 9.974 1.00 0.00 C ATOM 389 C CYS A 24 -8.404 9.944 11.034 1.00 0.00 C ATOM 390 O CYS A 24 -8.875 11.038 10.723 1.00 0.00 O ATOM 391 CB CYS A 24 -6.607 9.579 9.330 1.00 0.00 C ATOM 392 SG CYS A 24 -5.076 8.744 9.807 1.00 0.00 S ATOM 0 H CYS A 24 -8.949 9.452 8.240 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.605 8.047 10.451 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.711 9.533 8.246 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.532 10.633 9.598 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.069 9.310 9.210 1.00 0.00 H new ATOM 398 N VAL A 25 -8.351 9.510 12.288 1.00 0.00 N ATOM 399 CA VAL A 25 -8.850 10.313 13.399 1.00 0.00 C ATOM 400 C VAL A 25 -7.977 11.543 13.617 1.00 0.00 C ATOM 401 O VAL A 25 -8.390 12.505 14.266 1.00 0.00 O ATOM 402 CB VAL A 25 -8.906 9.492 14.701 1.00 0.00 C ATOM 403 CG1 VAL A 25 -9.977 10.038 15.634 1.00 0.00 C ATOM 404 CG2 VAL A 25 -9.157 8.023 14.392 1.00 0.00 C ATOM 0 H VAL A 25 -7.967 8.605 12.561 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.860 10.631 13.138 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.943 9.577 15.205 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.001 9.444 16.548 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.750 11.075 15.881 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.949 9.986 15.143 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.194 7.457 15.323 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.106 7.919 13.866 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.351 7.640 13.766 1.00 0.00 H new ATOM 414 N CYS A 26 -6.773 11.509 13.058 1.00 0.00 N ATOM 415 CA CYS A 26 -5.842 12.626 13.173 1.00 0.00 C ATOM 416 C CYS A 26 -6.344 13.832 12.384 1.00 0.00 C ATOM 417 O CYS A 26 -6.170 14.977 12.804 1.00 0.00 O ATOM 418 CB CYS A 26 -4.455 12.216 12.675 1.00 0.00 C ATOM 419 SG CYS A 26 -3.111 13.248 13.305 1.00 0.00 S ATOM 0 H CYS A 26 -6.418 10.719 12.520 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.773 12.904 14.225 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.269 11.181 12.961 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.446 12.252 11.586 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.969 12.703 13.007 1.00 0.00 H new ATOM 425 N GLY A 27 -6.968 13.565 11.239 1.00 0.00 N ATOM 426 CA GLY A 27 -7.490 14.638 10.411 1.00 0.00 C ATOM 427 C GLY A 27 -7.290 14.380 8.930 1.00 0.00 C ATOM 428 O GLY A 27 -6.677 15.188 8.230 1.00 0.00 O ATOM 0 H GLY A 27 -7.121 12.626 10.871 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.553 14.764 10.614 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.000 15.573 10.683 1.00 0.00 H new ATOM 432 N ARG A 28 -7.812 13.252 8.448 1.00 0.00 N ATOM 433 CA ARG A 28 -7.692 12.884 7.037 1.00 0.00 C ATOM 434 C ARG A 28 -8.567 11.679 6.708 1.00 0.00 C ATOM 435 O ARG A 28 -9.353 11.223 7.538 1.00 0.00 O ATOM 436 CB ARG A 28 -6.236 12.561 6.667 1.00 0.00 C ATOM 437 CG ARG A 28 -5.322 12.311 7.856 1.00 0.00 C ATOM 438 CD ARG A 28 -4.190 13.324 7.911 1.00 0.00 C ATOM 439 NE ARG A 28 -3.293 13.084 9.038 1.00 0.00 N ATOM 440 CZ ARG A 28 -2.363 13.947 9.438 1.00 0.00 C ATOM 441 NH1 ARG A 28 -2.207 15.102 8.804 1.00 0.00 N ATOM 442 NH2 ARG A 28 -1.587 13.654 10.472 1.00 0.00 N ATOM 0 H ARG A 28 -8.323 12.576 9.015 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.027 13.743 6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.225 11.680 6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.832 13.387 6.082 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.901 12.360 8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.908 11.305 7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.622 13.284 6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.606 14.329 7.987 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.385 12.205 9.547 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.801 15.331 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.493 15.761 9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.703 12.767 10.961 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.874 14.316 10.778 1.00 0.00 H new ATOM 456 N THR A 29 -8.422 11.171 5.486 1.00 0.00 N ATOM 457 CA THR A 29 -9.194 10.020 5.032 1.00 0.00 C ATOM 458 C THR A 29 -8.324 9.081 4.201 1.00 0.00 C ATOM 459 O THR A 29 -7.559 9.527 3.345 1.00 0.00 O ATOM 460 CB THR A 29 -10.396 10.485 4.209 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.173 11.418 4.941 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.310 9.357 3.788 1.00 0.00 C ATOM 0 H THR A 29 -7.774 11.541 4.791 1.00 0.00 H new ATOM 0 HA THR A 29 -9.550 9.477 5.908 1.00 0.00 H new ATOM 0 HB THR A 29 -9.972 10.938 3.313 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.937 11.705 4.398 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.141 9.759 3.208 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.753 8.645 3.179 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.696 8.852 4.673 1.00 0.00 H new ATOM 470 N VAL A 30 -8.439 7.782 4.462 1.00 0.00 N ATOM 471 CA VAL A 30 -7.650 6.788 3.742 1.00 0.00 C ATOM 472 C VAL A 30 -8.442 6.171 2.596 1.00 0.00 C ATOM 473 O VAL A 30 -9.457 5.509 2.811 1.00 0.00 O ATOM 474 CB VAL A 30 -7.163 5.667 4.676 1.00 0.00 C ATOM 475 CG1 VAL A 30 -6.114 4.815 3.981 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.612 6.253 5.962 1.00 0.00 C ATOM 0 H VAL A 30 -9.069 7.394 5.164 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.785 7.314 3.337 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.011 5.029 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.780 4.027 4.656 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.544 4.368 3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.264 5.439 3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.271 5.447 6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.775 6.912 5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.393 6.821 6.467 1.00 0.00 H new ATOM 486 N ASN A 31 -7.984 6.421 1.375 1.00 0.00 N ATOM 487 CA ASN A 31 -8.641 5.887 0.185 1.00 0.00 C ATOM 488 C ASN A 31 -7.950 4.618 -0.306 1.00 0.00 C ATOM 489 O ASN A 31 -6.792 4.656 -0.725 1.00 0.00 O ATOM 490 CB ASN A 31 -8.655 6.937 -0.928 1.00 0.00 C ATOM 491 CG ASN A 31 -9.803 6.734 -1.899 1.00 0.00 C ATOM 492 OD1 ASN A 31 -9.772 5.829 -2.733 1.00 0.00 O ATOM 493 ND2 ASN A 31 -10.823 7.577 -1.794 1.00 0.00 N ATOM 0 H ASN A 31 -7.160 6.990 1.182 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.667 5.634 0.454 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.728 7.931 -0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.711 6.899 -1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.624 7.489 -2.420 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.806 8.313 -1.088 1.00 0.00 H new ATOM 500 N VAL A 32 -8.654 3.491 -0.247 1.00 0.00 N ATOM 501 CA VAL A 32 -8.092 2.230 -0.718 1.00 0.00 C ATOM 502 C VAL A 32 -7.841 2.279 -2.225 1.00 0.00 C ATOM 503 O VAL A 32 -7.933 3.341 -2.841 1.00 0.00 O ATOM 504 CB VAL A 32 -8.984 1.021 -0.354 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.526 1.171 1.060 1.00 0.00 C ATOM 506 CG2 VAL A 32 -10.123 0.838 -1.348 1.00 0.00 C ATOM 0 H VAL A 32 -9.604 3.425 0.118 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.139 2.093 -0.207 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.364 0.126 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.152 0.313 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.696 1.225 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.119 2.083 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.726 -0.022 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.746 1.732 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.713 0.672 -2.344 1.00 0.00 H new ATOM 516 N LYS A 33 -7.509 1.134 -2.811 1.00 0.00 N ATOM 517 CA LYS A 33 -7.236 1.060 -4.244 1.00 0.00 C ATOM 518 C LYS A 33 -8.429 1.556 -5.058 1.00 0.00 C ATOM 519 O LYS A 33 -9.442 1.981 -4.500 1.00 0.00 O ATOM 520 CB LYS A 33 -6.895 -0.376 -4.644 1.00 0.00 C ATOM 521 CG LYS A 33 -5.513 -0.524 -5.261 1.00 0.00 C ATOM 522 CD LYS A 33 -5.584 -1.150 -6.644 1.00 0.00 C ATOM 523 CE LYS A 33 -4.270 -0.995 -7.393 1.00 0.00 C ATOM 524 NZ LYS A 33 -3.838 -2.272 -8.026 1.00 0.00 N ATOM 0 H LYS A 33 -7.422 0.245 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.383 1.705 -4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.961 -1.015 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.641 -0.733 -5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.037 0.454 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.888 -1.140 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.830 -2.208 -6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.387 -0.684 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.377 -0.228 -8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.498 -0.652 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.938 -2.124 -8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.711 -2.998 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.563 -2.587 -8.702 1.00 0.00 H new ATOM 538 N ASP A 34 -8.311 1.483 -6.380 1.00 0.00 N ATOM 539 CA ASP A 34 -9.384 1.923 -7.264 1.00 0.00 C ATOM 540 C ASP A 34 -10.335 0.771 -7.555 1.00 0.00 C ATOM 541 O ASP A 34 -11.554 0.927 -7.489 1.00 0.00 O ATOM 542 CB ASP A 34 -8.809 2.472 -8.571 1.00 0.00 C ATOM 543 CG ASP A 34 -9.042 3.962 -8.726 1.00 0.00 C ATOM 544 OD1 ASP A 34 -8.867 4.698 -7.731 1.00 0.00 O ATOM 545 OD2 ASP A 34 -9.398 4.395 -9.842 1.00 0.00 O ATOM 0 H ASP A 34 -7.486 1.125 -6.861 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.937 2.718 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.739 2.269 -8.607 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.262 1.947 -9.412 1.00 0.00 H new ATOM 550 N ARG A 35 -9.769 -0.394 -7.852 1.00 0.00 N ATOM 551 CA ARG A 35 -10.565 -1.584 -8.112 1.00 0.00 C ATOM 552 C ARG A 35 -10.917 -2.283 -6.799 1.00 0.00 C ATOM 553 O ARG A 35 -11.724 -1.777 -6.019 1.00 0.00 O ATOM 554 CB ARG A 35 -9.811 -2.535 -9.046 1.00 0.00 C ATOM 555 CG ARG A 35 -9.468 -1.919 -10.392 1.00 0.00 C ATOM 556 CD ARG A 35 -9.130 -2.984 -11.422 1.00 0.00 C ATOM 557 NE ARG A 35 -10.265 -3.861 -11.694 1.00 0.00 N ATOM 558 CZ ARG A 35 -10.760 -4.072 -12.910 1.00 0.00 C ATOM 559 NH1 ARG A 35 -10.220 -3.474 -13.963 1.00 0.00 N ATOM 560 NH2 ARG A 35 -11.795 -4.884 -13.074 1.00 0.00 N ATOM 0 H ARG A 35 -8.761 -0.538 -7.918 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.492 -1.286 -8.602 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.891 -2.857 -8.558 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.415 -3.428 -9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.310 -1.323 -10.746 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.623 -1.240 -10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.812 -2.505 -12.348 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.289 -3.579 -11.066 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.703 -4.339 -10.907 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.422 -2.850 -13.842 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.602 -3.638 -14.894 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.212 -5.348 -12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.174 -5.045 -14.007 1.00 0.00 H new ATOM 574 N ARG A 36 -10.307 -3.441 -6.553 1.00 0.00 N ATOM 575 CA ARG A 36 -10.550 -4.185 -5.323 1.00 0.00 C ATOM 576 C ARG A 36 -9.818 -3.547 -4.144 1.00 0.00 C ATOM 577 O ARG A 36 -10.343 -2.650 -3.483 1.00 0.00 O ATOM 578 CB ARG A 36 -10.110 -5.642 -5.483 1.00 0.00 C ATOM 579 CG ARG A 36 -10.801 -6.368 -6.623 1.00 0.00 C ATOM 580 CD ARG A 36 -11.844 -7.346 -6.108 1.00 0.00 C ATOM 581 NE ARG A 36 -13.114 -7.217 -6.815 1.00 0.00 N ATOM 582 CZ ARG A 36 -14.265 -6.925 -6.217 1.00 0.00 C ATOM 583 NH1 ARG A 36 -14.306 -6.734 -4.905 1.00 0.00 N ATOM 584 NH2 ARG A 36 -15.378 -6.828 -6.932 1.00 0.00 N ATOM 0 H ARG A 36 -9.643 -3.882 -7.189 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.621 -4.157 -5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.033 -5.671 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.306 -6.175 -4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.276 -5.642 -7.284 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.060 -6.903 -7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.471 -8.364 -6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.004 -7.177 -5.043 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.119 -7.359 -7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.453 -6.811 -4.352 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.191 -6.510 -4.450 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.351 -6.977 -7.941 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.261 -6.604 -6.473 1.00 0.00 H new ATOM 598 N ILE A 37 -8.606 -4.028 -3.880 1.00 0.00 N ATOM 599 CA ILE A 37 -7.800 -3.527 -2.772 1.00 0.00 C ATOM 600 C ILE A 37 -6.313 -3.752 -3.039 1.00 0.00 C ATOM 601 O ILE A 37 -5.937 -4.652 -3.790 1.00 0.00 O ATOM 602 CB ILE A 37 -8.212 -4.212 -1.444 1.00 0.00 C ATOM 603 CG1 ILE A 37 -9.005 -3.232 -0.572 1.00 0.00 C ATOM 604 CG2 ILE A 37 -7.000 -4.754 -0.687 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.149 -2.205 0.138 1.00 0.00 C ATOM 0 H ILE A 37 -8.159 -4.768 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.978 -2.455 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.847 -5.064 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.733 -2.714 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.568 -3.797 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.330 -5.227 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.483 -5.488 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.321 -3.934 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.785 -1.550 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.438 -2.712 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.606 -1.612 -0.598 1.00 0.00 H new ATOM 617 N PHE A 38 -5.475 -2.940 -2.405 1.00 0.00 N ATOM 618 CA PHE A 38 -4.033 -3.074 -2.546 1.00 0.00 C ATOM 619 C PHE A 38 -3.480 -3.988 -1.457 1.00 0.00 C ATOM 620 O PHE A 38 -4.031 -4.058 -0.362 1.00 0.00 O ATOM 621 CB PHE A 38 -3.359 -1.704 -2.470 1.00 0.00 C ATOM 622 CG PHE A 38 -2.052 -1.638 -3.206 1.00 0.00 C ATOM 623 CD1 PHE A 38 -0.883 -2.078 -2.607 1.00 0.00 C ATOM 624 CD2 PHE A 38 -1.992 -1.138 -4.496 1.00 0.00 C ATOM 625 CE1 PHE A 38 0.321 -2.021 -3.281 1.00 0.00 C ATOM 626 CE2 PHE A 38 -0.790 -1.078 -5.176 1.00 0.00 C ATOM 627 CZ PHE A 38 0.368 -1.520 -4.567 1.00 0.00 C ATOM 0 H PHE A 38 -5.771 -2.183 -1.789 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.821 -3.515 -3.520 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.035 -0.952 -2.878 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.191 -1.448 -1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.914 -2.470 -1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.895 -0.791 -4.976 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.225 -2.368 -2.803 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.757 -0.686 -6.182 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.309 -1.474 -5.096 1.00 0.00 H new ATOM 637 N GLY A 39 -2.410 -4.703 -1.779 1.00 0.00 N ATOM 638 CA GLY A 39 -1.800 -5.611 -0.823 1.00 0.00 C ATOM 639 C GLY A 39 -2.814 -6.490 -0.115 1.00 0.00 C ATOM 640 O GLY A 39 -3.358 -6.109 0.922 1.00 0.00 O ATOM 0 H GLY A 39 -1.951 -4.671 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.077 -6.242 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.247 -5.033 -0.082 1.00 0.00 H new ATOM 644 N ARG A 40 -3.070 -7.667 -0.670 1.00 0.00 N ATOM 645 CA ARG A 40 -4.007 -8.601 -0.063 1.00 0.00 C ATOM 646 C ARG A 40 -3.271 -9.522 0.898 1.00 0.00 C ATOM 647 O ARG A 40 -2.753 -10.568 0.505 1.00 0.00 O ATOM 648 CB ARG A 40 -4.729 -9.421 -1.130 1.00 0.00 C ATOM 649 CG ARG A 40 -6.236 -9.466 -0.935 1.00 0.00 C ATOM 650 CD ARG A 40 -6.647 -10.600 -0.009 1.00 0.00 C ATOM 651 NE ARG A 40 -6.975 -11.818 -0.745 1.00 0.00 N ATOM 652 CZ ARG A 40 -7.918 -12.677 -0.367 1.00 0.00 C ATOM 653 NH1 ARG A 40 -8.624 -12.452 0.733 1.00 0.00 N ATOM 654 NH2 ARG A 40 -8.156 -13.762 -1.091 1.00 0.00 N ATOM 0 H ARG A 40 -2.644 -7.996 -1.536 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.754 -8.030 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.509 -9.002 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.338 -10.438 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.579 -8.517 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.725 -9.589 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.838 -10.807 0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.509 -10.291 0.582 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.452 -12.022 -1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.445 -11.618 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.346 -13.113 1.020 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.616 -13.938 -1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.879 -14.420 -0.801 1.00 0.00 H new ATOM 668 N ALA A 41 -3.192 -9.097 2.150 1.00 0.00 N ATOM 669 CA ALA A 41 -2.481 -9.851 3.171 1.00 0.00 C ATOM 670 C ALA A 41 -3.418 -10.758 3.954 1.00 0.00 C ATOM 671 O ALA A 41 -4.221 -10.291 4.757 1.00 0.00 O ATOM 672 CB ALA A 41 -1.761 -8.900 4.111 1.00 0.00 C ATOM 0 H ALA A 41 -3.613 -8.230 2.484 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.750 -10.486 2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.231 -9.473 4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.047 -8.301 3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.487 -8.243 4.591 1.00 0.00 H new ATOM 678 N ASP A 42 -3.294 -12.061 3.731 1.00 0.00 N ATOM 679 CA ASP A 42 -4.111 -13.033 4.443 1.00 0.00 C ATOM 680 C ASP A 42 -3.516 -13.313 5.817 1.00 0.00 C ATOM 681 O ASP A 42 -4.234 -13.631 6.766 1.00 0.00 O ATOM 682 CB ASP A 42 -4.213 -14.332 3.640 1.00 0.00 C ATOM 683 CG ASP A 42 -5.648 -14.715 3.339 1.00 0.00 C ATOM 684 OD1 ASP A 42 -6.222 -14.158 2.380 1.00 0.00 O ATOM 685 OD2 ASP A 42 -6.197 -15.572 4.062 1.00 0.00 O ATOM 0 H ASP A 42 -2.637 -12.467 3.065 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.112 -12.620 4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.666 -14.221 2.704 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.734 -15.138 4.196 1.00 0.00 H new ATOM 690 N ASP A 43 -2.193 -13.211 5.906 1.00 0.00 N ATOM 691 CA ASP A 43 -1.488 -13.429 7.163 1.00 0.00 C ATOM 692 C ASP A 43 -1.406 -12.138 7.967 1.00 0.00 C ATOM 693 O ASP A 43 -0.998 -11.098 7.446 1.00 0.00 O ATOM 694 CB ASP A 43 -0.083 -13.970 6.896 1.00 0.00 C ATOM 695 CG ASP A 43 -0.071 -15.053 5.836 1.00 0.00 C ATOM 696 OD1 ASP A 43 -0.832 -16.033 5.981 1.00 0.00 O ATOM 697 OD2 ASP A 43 0.698 -14.921 4.861 1.00 0.00 O ATOM 0 H ASP A 43 -1.587 -12.978 5.119 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.046 -14.163 7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.565 -13.151 6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.332 -14.368 7.822 1.00 0.00 H new ATOM 702 N PHE A 44 -1.793 -12.206 9.238 1.00 0.00 N ATOM 703 CA PHE A 44 -1.752 -11.038 10.112 1.00 0.00 C ATOM 704 C PHE A 44 -0.352 -10.434 10.141 1.00 0.00 C ATOM 705 O PHE A 44 -0.191 -9.215 10.184 1.00 0.00 O ATOM 706 CB PHE A 44 -2.192 -11.413 11.531 1.00 0.00 C ATOM 707 CG PHE A 44 -1.751 -12.784 11.961 1.00 0.00 C ATOM 708 CD1 PHE A 44 -0.454 -13.006 12.394 1.00 0.00 C ATOM 709 CD2 PHE A 44 -2.638 -13.848 11.940 1.00 0.00 C ATOM 710 CE1 PHE A 44 -0.047 -14.266 12.791 1.00 0.00 C ATOM 711 CE2 PHE A 44 -2.238 -15.110 12.337 1.00 0.00 C ATOM 712 CZ PHE A 44 -0.940 -15.318 12.762 1.00 0.00 C ATOM 0 H PHE A 44 -2.138 -13.056 9.685 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.443 -10.294 9.715 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.795 -10.678 12.231 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.279 -11.356 11.591 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.247 -12.185 12.422 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.654 -13.689 11.610 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.968 -14.427 13.123 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.939 -15.932 12.315 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.624 -16.303 13.071 1.00 0.00 H new ATOM 722 N GLU A 45 0.660 -11.297 10.113 1.00 0.00 N ATOM 723 CA GLU A 45 2.048 -10.853 10.125 1.00 0.00 C ATOM 724 C GLU A 45 2.399 -10.133 8.827 1.00 0.00 C ATOM 725 O GLU A 45 3.078 -9.106 8.838 1.00 0.00 O ATOM 726 CB GLU A 45 2.986 -12.044 10.331 1.00 0.00 C ATOM 727 CG GLU A 45 4.180 -11.730 11.218 1.00 0.00 C ATOM 728 CD GLU A 45 5.388 -11.270 10.426 1.00 0.00 C ATOM 729 OE1 GLU A 45 5.974 -12.101 9.700 1.00 0.00 O ATOM 730 OE2 GLU A 45 5.748 -10.079 10.531 1.00 0.00 O ATOM 0 H GLU A 45 0.543 -12.310 10.082 1.00 0.00 H new ATOM 0 HA GLU A 45 2.173 -10.155 10.953 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.423 -12.867 10.771 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.345 -12.386 9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.903 -10.956 11.934 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.444 -12.617 11.794 1.00 0.00 H new ATOM 737 N GLU A 46 1.935 -10.682 7.708 1.00 0.00 N ATOM 738 CA GLU A 46 2.203 -10.098 6.400 1.00 0.00 C ATOM 739 C GLU A 46 1.479 -8.764 6.239 1.00 0.00 C ATOM 740 O GLU A 46 1.864 -7.935 5.417 1.00 0.00 O ATOM 741 CB GLU A 46 1.774 -11.060 5.290 1.00 0.00 C ATOM 742 CG GLU A 46 2.262 -10.651 3.909 1.00 0.00 C ATOM 743 CD GLU A 46 2.258 -11.804 2.923 1.00 0.00 C ATOM 744 OE1 GLU A 46 2.810 -12.873 3.259 1.00 0.00 O ATOM 745 OE2 GLU A 46 1.706 -11.635 1.816 1.00 0.00 O ATOM 0 H GLU A 46 1.371 -11.532 7.682 1.00 0.00 H new ATOM 0 HA GLU A 46 3.276 -9.920 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.150 -12.057 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.686 -11.125 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.630 -9.849 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.272 -10.250 3.989 1.00 0.00 H new ATOM 752 N ALA A 47 0.419 -8.574 7.017 1.00 0.00 N ATOM 753 CA ALA A 47 -0.357 -7.340 6.964 1.00 0.00 C ATOM 754 C ALA A 47 0.507 -6.128 7.297 1.00 0.00 C ATOM 755 O ALA A 47 0.667 -5.223 6.478 1.00 0.00 O ATOM 756 CB ALA A 47 -1.542 -7.422 7.914 1.00 0.00 C ATOM 0 H ALA A 47 0.077 -9.258 7.692 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.727 -7.218 5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.113 -6.495 7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.181 -8.257 7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.183 -7.573 8.932 1.00 0.00 H new ATOM 762 N SER A 48 1.053 -6.113 8.510 1.00 0.00 N ATOM 763 CA SER A 48 1.890 -5.007 8.962 1.00 0.00 C ATOM 764 C SER A 48 3.108 -4.827 8.060 1.00 0.00 C ATOM 765 O SER A 48 3.553 -3.704 7.823 1.00 0.00 O ATOM 766 CB SER A 48 2.344 -5.244 10.405 1.00 0.00 C ATOM 767 OG SER A 48 1.233 -5.422 11.267 1.00 0.00 O ATOM 0 H SER A 48 0.930 -6.856 9.198 1.00 0.00 H new ATOM 0 HA SER A 48 1.293 -4.096 8.914 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.986 -6.124 10.448 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.940 -4.398 10.745 1.00 0.00 H new ATOM 0 HG SER A 48 1.550 -5.573 12.182 1.00 0.00 H new ATOM 773 N GLU A 49 3.640 -5.936 7.556 1.00 0.00 N ATOM 774 CA GLU A 49 4.810 -5.897 6.690 1.00 0.00 C ATOM 775 C GLU A 49 4.470 -5.271 5.340 1.00 0.00 C ATOM 776 O GLU A 49 5.264 -4.521 4.774 1.00 0.00 O ATOM 777 CB GLU A 49 5.370 -7.313 6.508 1.00 0.00 C ATOM 778 CG GLU A 49 4.920 -8.013 5.233 1.00 0.00 C ATOM 779 CD GLU A 49 5.904 -9.071 4.771 1.00 0.00 C ATOM 780 OE1 GLU A 49 7.123 -8.864 4.942 1.00 0.00 O ATOM 781 OE2 GLU A 49 5.453 -10.106 4.236 1.00 0.00 O ATOM 0 H GLU A 49 3.278 -6.873 7.733 1.00 0.00 H new ATOM 0 HA GLU A 49 5.571 -5.275 7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.459 -7.263 6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.074 -7.920 7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.947 -8.475 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.790 -7.273 4.443 1.00 0.00 H new ATOM 788 N LEU A 50 3.278 -5.578 4.840 1.00 0.00 N ATOM 789 CA LEU A 50 2.821 -5.049 3.562 1.00 0.00 C ATOM 790 C LEU A 50 2.594 -3.544 3.650 1.00 0.00 C ATOM 791 O LEU A 50 2.970 -2.794 2.748 1.00 0.00 O ATOM 792 CB LEU A 50 1.528 -5.751 3.136 1.00 0.00 C ATOM 793 CG LEU A 50 1.639 -6.601 1.868 1.00 0.00 C ATOM 794 CD1 LEU A 50 0.323 -7.309 1.585 1.00 0.00 C ATOM 795 CD2 LEU A 50 2.051 -5.742 0.683 1.00 0.00 C ATOM 0 H LEU A 50 2.609 -6.193 5.303 1.00 0.00 H new ATOM 0 HA LEU A 50 3.593 -5.237 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.192 -6.388 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.757 -4.996 2.983 1.00 0.00 H new ATOM 0 HG LEU A 50 2.409 -7.357 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.420 -7.909 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.071 -7.957 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.466 -6.569 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.125 -6.364 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.306 -4.963 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.018 -5.282 0.886 1.00 0.00 H new ATOM 807 N VAL A 51 2.005 -3.108 4.759 1.00 0.00 N ATOM 808 CA VAL A 51 1.731 -1.695 4.984 1.00 0.00 C ATOM 809 C VAL A 51 3.026 -0.890 5.070 1.00 0.00 C ATOM 810 O VAL A 51 3.171 0.140 4.411 1.00 0.00 O ATOM 811 CB VAL A 51 0.925 -1.489 6.281 1.00 0.00 C ATOM 812 CG1 VAL A 51 0.706 -0.009 6.552 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.402 -2.227 6.207 1.00 0.00 C ATOM 0 H VAL A 51 1.707 -3.718 5.520 1.00 0.00 H new ATOM 0 HA VAL A 51 1.145 -1.342 4.135 1.00 0.00 H new ATOM 0 HB VAL A 51 1.500 -1.901 7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.135 0.112 7.472 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.670 0.489 6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.156 0.435 5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.958 -2.070 7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.983 -1.848 5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.219 -3.293 6.070 1.00 0.00 H new ATOM 823 N ARG A 52 3.960 -1.358 5.893 1.00 0.00 N ATOM 824 CA ARG A 52 5.241 -0.679 6.055 1.00 0.00 C ATOM 825 C ARG A 52 6.019 -0.692 4.748 1.00 0.00 C ATOM 826 O ARG A 52 6.673 0.290 4.395 1.00 0.00 O ATOM 827 CB ARG A 52 6.062 -1.344 7.163 1.00 0.00 C ATOM 828 CG ARG A 52 5.966 -0.631 8.502 1.00 0.00 C ATOM 829 CD ARG A 52 7.104 -1.031 9.428 1.00 0.00 C ATOM 830 NE ARG A 52 6.666 -1.969 10.457 1.00 0.00 N ATOM 831 CZ ARG A 52 7.156 -3.199 10.593 1.00 0.00 C ATOM 832 NH1 ARG A 52 8.096 -3.638 9.767 1.00 0.00 N ATOM 833 NH2 ARG A 52 6.704 -3.991 11.555 1.00 0.00 N ATOM 0 H ARG A 52 3.854 -2.202 6.456 1.00 0.00 H new ATOM 0 HA ARG A 52 5.048 0.356 6.336 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.726 -2.374 7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.107 -1.383 6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.986 0.447 8.344 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.012 -0.866 8.973 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.906 -1.482 8.843 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.517 -0.140 9.901 1.00 0.00 H new ATOM 0 HE ARG A 52 5.943 -1.664 11.109 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.446 -3.032 9.024 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.469 -4.581 9.874 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.980 -3.658 12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.080 -4.933 11.658 1.00 0.00 H new ATOM 847 N LYS A 53 5.926 -1.799 4.019 1.00 0.00 N ATOM 848 CA LYS A 53 6.577 -1.906 2.722 1.00 0.00 C ATOM 849 C LYS A 53 5.939 -0.915 1.762 1.00 0.00 C ATOM 850 O LYS A 53 6.604 -0.344 0.898 1.00 0.00 O ATOM 851 CB LYS A 53 6.459 -3.328 2.172 1.00 0.00 C ATOM 852 CG LYS A 53 7.706 -3.803 1.446 1.00 0.00 C ATOM 853 CD LYS A 53 7.412 -4.999 0.557 1.00 0.00 C ATOM 854 CE LYS A 53 8.691 -5.680 0.097 1.00 0.00 C ATOM 855 NZ LYS A 53 8.512 -6.376 -1.207 1.00 0.00 N ATOM 0 H LYS A 53 5.408 -2.630 4.304 1.00 0.00 H new ATOM 0 HA LYS A 53 7.637 -1.677 2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.245 -4.010 2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.611 -3.376 1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.108 -2.990 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.473 -4.069 2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.793 -5.714 1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.838 -4.676 -0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.485 -4.938 0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.011 -6.399 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.407 -6.827 -1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.772 -7.101 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.232 -5.686 -1.933 1.00 0.00 H new ATOM 869 N LEU A 54 4.641 -0.697 1.952 1.00 0.00 N ATOM 870 CA LEU A 54 3.901 0.273 1.161 1.00 0.00 C ATOM 871 C LEU A 54 4.408 1.678 1.461 1.00 0.00 C ATOM 872 O LEU A 54 4.510 2.522 0.570 1.00 0.00 O ATOM 873 CB LEU A 54 2.406 0.178 1.481 1.00 0.00 C ATOM 874 CG LEU A 54 1.520 -0.374 0.360 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.455 0.608 -0.800 1.00 0.00 C ATOM 876 CD2 LEU A 54 2.022 -1.733 -0.110 1.00 0.00 C ATOM 0 H LEU A 54 4.080 -1.183 2.651 1.00 0.00 H new ATOM 0 HA LEU A 54 4.051 0.058 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.281 -0.452 2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.046 1.172 1.747 1.00 0.00 H new ATOM 0 HG LEU A 54 0.513 -0.506 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.821 0.200 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.039 1.554 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.458 0.775 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.376 -2.104 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.041 -1.635 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.009 -2.434 0.724 1.00 0.00 H new ATOM 888 N GLN A 55 4.731 1.914 2.732 1.00 0.00 N ATOM 889 CA GLN A 55 5.239 3.207 3.170 1.00 0.00 C ATOM 890 C GLN A 55 6.633 3.462 2.612 1.00 0.00 C ATOM 891 O GLN A 55 7.250 2.575 2.023 1.00 0.00 O ATOM 892 CB GLN A 55 5.270 3.279 4.697 1.00 0.00 C ATOM 893 CG GLN A 55 3.906 3.103 5.340 1.00 0.00 C ATOM 894 CD GLN A 55 3.977 3.025 6.853 1.00 0.00 C ATOM 895 OE1 GLN A 55 3.628 2.007 7.451 1.00 0.00 O ATOM 896 NE2 GLN A 55 4.430 4.103 7.480 1.00 0.00 N ATOM 0 H GLN A 55 4.648 1.222 3.477 1.00 0.00 H new ATOM 0 HA GLN A 55 4.568 3.977 2.791 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.943 2.510 5.075 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.684 4.241 4.999 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.264 3.936 5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.442 2.195 4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.708 4.925 6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.500 4.109 8.498 1.00 0.00 H new ATOM 905 N GLU A 56 7.121 4.685 2.793 1.00 0.00 N ATOM 906 CA GLU A 56 8.449 5.060 2.319 1.00 0.00 C ATOM 907 C GLU A 56 9.532 4.572 3.280 1.00 0.00 C ATOM 908 O GLU A 56 10.511 5.275 3.537 1.00 0.00 O ATOM 909 CB GLU A 56 8.542 6.578 2.151 1.00 0.00 C ATOM 910 CG GLU A 56 8.707 7.017 0.705 1.00 0.00 C ATOM 911 CD GLU A 56 9.089 8.480 0.580 1.00 0.00 C ATOM 912 OE1 GLU A 56 10.116 8.877 1.167 1.00 0.00 O ATOM 913 OE2 GLU A 56 8.358 9.227 -0.104 1.00 0.00 O ATOM 0 H GLU A 56 6.616 5.435 3.265 1.00 0.00 H new ATOM 0 HA GLU A 56 8.610 4.584 1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.643 7.037 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.385 6.950 2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.471 6.404 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.775 6.841 0.167 1.00 0.00 H new ATOM 920 N GLU A 57 9.350 3.366 3.810 1.00 0.00 N ATOM 921 CA GLU A 57 10.306 2.789 4.747 1.00 0.00 C ATOM 922 C GLU A 57 11.544 2.273 4.021 1.00 0.00 C ATOM 923 O GLU A 57 11.479 1.906 2.847 1.00 0.00 O ATOM 924 CB GLU A 57 9.652 1.653 5.535 1.00 0.00 C ATOM 925 CG GLU A 57 8.611 2.129 6.535 1.00 0.00 C ATOM 926 CD GLU A 57 9.222 2.560 7.853 1.00 0.00 C ATOM 927 OE1 GLU A 57 9.578 1.676 8.660 1.00 0.00 O ATOM 928 OE2 GLU A 57 9.347 3.782 8.078 1.00 0.00 O ATOM 0 H GLU A 57 8.548 2.770 3.606 1.00 0.00 H new ATOM 0 HA GLU A 57 10.617 3.573 5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.183 0.960 4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.425 1.097 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.056 2.963 6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.894 1.328 6.716 1.00 0.00 H new ATOM 935 N LYS A 58 12.669 2.243 4.729 1.00 0.00 N ATOM 936 CA LYS A 58 13.922 1.773 4.158 1.00 0.00 C ATOM 937 C LYS A 58 13.969 0.249 4.126 1.00 0.00 C ATOM 938 O LYS A 58 12.950 -0.415 4.318 1.00 0.00 O ATOM 939 CB LYS A 58 15.106 2.317 4.960 1.00 0.00 C ATOM 940 CG LYS A 58 15.648 3.634 4.428 1.00 0.00 C ATOM 941 CD LYS A 58 17.167 3.660 4.449 1.00 0.00 C ATOM 942 CE LYS A 58 17.712 4.885 3.734 1.00 0.00 C ATOM 943 NZ LYS A 58 17.295 6.149 4.402 1.00 0.00 N ATOM 0 H LYS A 58 12.736 2.540 5.702 1.00 0.00 H new ATOM 0 HA LYS A 58 13.987 2.140 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.800 2.452 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.906 1.577 4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.294 3.789 3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.261 4.457 5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.518 3.653 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.554 2.758 3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.800 4.833 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.363 4.888 2.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.755 6.956 3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.262 6.253 4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.576 6.122 5.403 1.00 0.00 H new ATOM 957 N TYR A 59 15.156 -0.300 3.885 1.00 0.00 N ATOM 958 CA TYR A 59 15.332 -1.746 3.832 1.00 0.00 C ATOM 959 C TYR A 59 15.659 -2.307 5.212 1.00 0.00 C ATOM 960 O TYR A 59 15.803 -1.559 6.179 1.00 0.00 O ATOM 961 CB TYR A 59 16.443 -2.111 2.842 1.00 0.00 C ATOM 962 CG TYR A 59 16.093 -3.275 1.941 1.00 0.00 C ATOM 963 CD1 TYR A 59 15.075 -3.169 1.001 1.00 0.00 C ATOM 964 CD2 TYR A 59 16.782 -4.478 2.029 1.00 0.00 C ATOM 965 CE1 TYR A 59 14.752 -4.230 0.177 1.00 0.00 C ATOM 966 CE2 TYR A 59 16.466 -5.544 1.208 1.00 0.00 C ATOM 967 CZ TYR A 59 15.450 -5.415 0.284 1.00 0.00 C ATOM 968 OH TYR A 59 15.132 -6.473 -0.537 1.00 0.00 O ATOM 0 H TYR A 59 16.009 0.235 3.724 1.00 0.00 H new ATOM 0 HA TYR A 59 14.395 -2.188 3.494 1.00 0.00 H new ATOM 0 HB2 TYR A 59 16.670 -1.241 2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 59 17.349 -2.352 3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 59 14.527 -2.242 0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 59 17.578 -4.582 2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.957 -4.132 -0.547 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.011 -6.473 1.289 1.00 0.00 H new ATOM 0 HH TYR A 59 15.718 -7.232 -0.335 1.00 0.00 H new ATOM 978 N GLY A 60 15.771 -3.630 5.295 1.00 0.00 N ATOM 979 CA GLY A 60 16.072 -4.273 6.562 1.00 0.00 C ATOM 980 C GLY A 60 17.428 -3.875 7.111 1.00 0.00 C ATOM 981 O GLY A 60 17.515 -3.109 8.072 1.00 0.00 O ATOM 0 H GLY A 60 15.659 -4.268 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.301 -4.016 7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.040 -5.355 6.433 1.00 0.00 H new ATOM 985 N SER A 61 18.488 -4.401 6.505 1.00 0.00 N ATOM 986 CA SER A 61 19.846 -4.101 6.945 1.00 0.00 C ATOM 987 C SER A 61 20.382 -2.853 6.254 1.00 0.00 C ATOM 988 O SER A 61 20.206 -2.674 5.048 1.00 0.00 O ATOM 989 CB SER A 61 20.769 -5.289 6.662 1.00 0.00 C ATOM 990 OG SER A 61 20.525 -6.353 7.566 1.00 0.00 O ATOM 0 H SER A 61 18.433 -5.036 5.709 1.00 0.00 H new ATOM 0 HA SER A 61 19.819 -3.915 8.019 1.00 0.00 H new ATOM 0 HB2 SER A 61 20.618 -5.635 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 61 21.809 -4.972 6.741 1.00 0.00 H new ATOM 0 HG SER A 61 21.126 -7.100 7.362 1.00 0.00 H new ATOM 996 N CYS A 62 21.037 -1.992 7.027 1.00 0.00 N ATOM 997 CA CYS A 62 21.603 -0.758 6.494 1.00 0.00 C ATOM 998 C CYS A 62 22.574 -0.130 7.488 1.00 0.00 C ATOM 999 O CYS A 62 23.233 0.863 7.181 1.00 0.00 O ATOM 1000 CB CYS A 62 20.489 0.236 6.156 1.00 0.00 C ATOM 1001 SG CYS A 62 20.223 0.470 4.383 1.00 0.00 S ATOM 0 H CYS A 62 21.189 -2.127 8.027 1.00 0.00 H new ATOM 0 HA CYS A 62 22.150 -1.004 5.584 1.00 0.00 H new ATOM 0 HB2 CYS A 62 19.560 -0.108 6.610 1.00 0.00 H new ATOM 0 HB3 CYS A 62 20.727 1.199 6.607 1.00 0.00 H new ATOM 0 HG CYS A 62 20.134 -0.689 3.801 1.00 0.00 H new ATOM 1007 N HIS A 63 22.657 -0.720 8.679 1.00 0.00 N ATOM 1008 CA HIS A 63 23.547 -0.224 9.724 1.00 0.00 C ATOM 1009 C HIS A 63 23.246 1.235 10.052 1.00 0.00 C ATOM 1010 O HIS A 63 23.829 2.147 9.466 1.00 0.00 O ATOM 1011 CB HIS A 63 25.009 -0.373 9.295 1.00 0.00 C ATOM 1012 CG HIS A 63 25.971 -0.393 10.441 1.00 0.00 C ATOM 1013 ND1 HIS A 63 26.040 0.647 11.336 1.00 0.00 N ATOM 1014 CD2 HIS A 63 26.872 -1.342 10.792 1.00 0.00 C ATOM 1015 CE1 HIS A 63 26.975 0.313 12.207 1.00 0.00 C ATOM 1016 NE2 HIS A 63 27.506 -0.883 11.917 1.00 0.00 N ATOM 0 H HIS A 63 22.117 -1.544 8.944 1.00 0.00 H new ATOM 0 HA HIS A 63 23.377 -0.820 10.621 1.00 0.00 H new ATOM 0 HB2 HIS A 63 25.119 -1.294 8.723 1.00 0.00 H new ATOM 0 HB3 HIS A 63 25.269 0.449 8.628 1.00 0.00 H new ATOM 0 HD2 HIS A 63 27.055 -2.278 10.284 1.00 0.00 H new ATOM 0 HE1 HIS A 63 27.273 0.925 13.045 1.00 0.00 H new ATOM 0 HE2 HIS A 63 28.243 -1.361 12.436 1.00 0.00 H new ATOM 1024 N PHE A 64 22.330 1.446 10.993 1.00 0.00 N ATOM 1025 CA PHE A 64 21.949 2.792 11.405 1.00 0.00 C ATOM 1026 C PHE A 64 23.157 3.563 11.929 1.00 0.00 C ATOM 1027 O PHE A 64 23.585 3.367 13.066 1.00 0.00 O ATOM 1028 CB PHE A 64 20.865 2.728 12.481 1.00 0.00 C ATOM 1029 CG PHE A 64 19.469 2.835 11.936 1.00 0.00 C ATOM 1030 CD1 PHE A 64 18.909 1.790 11.218 1.00 0.00 C ATOM 1031 CD2 PHE A 64 18.714 3.978 12.149 1.00 0.00 C ATOM 1032 CE1 PHE A 64 17.624 1.885 10.718 1.00 0.00 C ATOM 1033 CE2 PHE A 64 17.428 4.077 11.652 1.00 0.00 C ATOM 1034 CZ PHE A 64 16.882 3.030 10.935 1.00 0.00 C ATOM 0 H PHE A 64 21.838 0.700 11.485 1.00 0.00 H new ATOM 0 HA PHE A 64 21.557 3.316 10.533 1.00 0.00 H new ATOM 0 HB2 PHE A 64 20.962 1.790 13.027 1.00 0.00 H new ATOM 0 HB3 PHE A 64 21.029 3.532 13.198 1.00 0.00 H new ATOM 0 HD1 PHE A 64 19.483 0.891 11.047 1.00 0.00 H new ATOM 0 HD2 PHE A 64 19.135 4.800 12.709 1.00 0.00 H new ATOM 0 HE1 PHE A 64 17.200 1.065 10.158 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.850 4.973 11.824 1.00 0.00 H new ATOM 0 HZ PHE A 64 15.878 3.106 10.545 1.00 0.00 H new ATOM 1044 N THR A 65 23.704 4.437 11.090 1.00 0.00 N ATOM 1045 CA THR A 65 24.865 5.234 11.466 1.00 0.00 C ATOM 1046 C THR A 65 24.443 6.617 11.949 1.00 0.00 C ATOM 1047 O THR A 65 24.103 7.489 11.149 1.00 0.00 O ATOM 1048 CB THR A 65 25.824 5.366 10.279 1.00 0.00 C ATOM 1049 OG1 THR A 65 26.162 4.090 9.766 1.00 0.00 O ATOM 1050 CG2 THR A 65 27.112 6.081 10.625 1.00 0.00 C ATOM 0 H THR A 65 23.361 4.611 10.145 1.00 0.00 H new ATOM 0 HA THR A 65 25.375 4.724 12.283 1.00 0.00 H new ATOM 0 HB THR A 65 25.289 5.960 9.539 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.343 3.594 9.557 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.745 6.140 9.739 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.886 7.088 10.977 1.00 0.00 H new ATOM 0 HG23 THR A 65 27.634 5.531 11.408 1.00 0.00 H new ATOM 1058 N ASN A 66 24.469 6.810 13.265 1.00 0.00 N ATOM 1059 CA ASN A 66 24.094 8.088 13.857 1.00 0.00 C ATOM 1060 C ASN A 66 25.079 9.183 13.456 1.00 0.00 C ATOM 1061 O ASN A 66 26.265 8.915 13.255 1.00 0.00 O ATOM 1062 CB ASN A 66 24.036 7.969 15.382 1.00 0.00 C ATOM 1063 CG ASN A 66 22.736 7.357 15.864 1.00 0.00 C ATOM 1064 OD1 ASN A 66 22.734 6.330 16.543 1.00 0.00 O ATOM 1065 ND2 ASN A 66 21.620 7.987 15.516 1.00 0.00 N ATOM 0 H ASN A 66 24.746 6.097 13.940 1.00 0.00 H new ATOM 0 HA ASN A 66 23.107 8.359 13.483 1.00 0.00 H new ATOM 0 HB2 ASN A 66 24.871 7.361 15.728 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.156 8.957 15.826 1.00 0.00 H new ATOM 0 HD21 ASN A 66 20.715 7.622 15.813 1.00 0.00 H new ATOM 0 HD22 ASN A 66 21.668 8.836 14.952 1.00 0.00 H new ATOM 1072 N PRO A 67 24.603 10.436 13.328 1.00 0.00 N ATOM 1073 CA PRO A 67 25.454 11.569 12.949 1.00 0.00 C ATOM 1074 C PRO A 67 26.586 11.797 13.945 1.00 0.00 C ATOM 1075 O PRO A 67 27.710 12.116 13.558 1.00 0.00 O ATOM 1076 CB PRO A 67 24.494 12.766 12.945 1.00 0.00 C ATOM 1077 CG PRO A 67 23.321 12.329 13.756 1.00 0.00 C ATOM 1078 CD PRO A 67 23.206 10.847 13.550 1.00 0.00 C ATOM 0 HA PRO A 67 25.943 11.403 11.989 1.00 0.00 H new ATOM 0 HB2 PRO A 67 24.964 13.649 13.377 1.00 0.00 H new ATOM 0 HB3 PRO A 67 24.195 13.028 11.930 1.00 0.00 H new ATOM 0 HG2 PRO A 67 23.465 12.567 14.810 1.00 0.00 H new ATOM 0 HG3 PRO A 67 22.413 12.839 13.435 1.00 0.00 H new ATOM 0 HD2 PRO A 67 22.772 10.351 14.418 1.00 0.00 H new ATOM 0 HD3 PRO A 67 22.573 10.606 12.696 1.00 0.00 H new ATOM 1086 N SER A 68 26.281 11.631 15.228 1.00 0.00 N ATOM 1087 CA SER A 68 27.271 11.817 16.280 1.00 0.00 C ATOM 1088 C SER A 68 28.115 10.560 16.464 1.00 0.00 C ATOM 1089 O SER A 68 29.124 10.576 17.170 1.00 0.00 O ATOM 1090 CB SER A 68 26.582 12.179 17.597 1.00 0.00 C ATOM 1091 OG SER A 68 26.817 13.534 17.942 1.00 0.00 O ATOM 0 H SER A 68 25.354 11.368 15.563 1.00 0.00 H new ATOM 0 HA SER A 68 27.929 12.634 15.984 1.00 0.00 H new ATOM 0 HB2 SER A 68 25.510 12.004 17.510 1.00 0.00 H new ATOM 0 HB3 SER A 68 26.948 11.530 18.392 1.00 0.00 H new ATOM 0 HG SER A 68 26.364 13.740 18.787 1.00 0.00 H new ATOM 1097 N LYS A 69 27.694 9.472 15.826 1.00 0.00 N ATOM 1098 CA LYS A 69 28.411 8.205 15.921 1.00 0.00 C ATOM 1099 C LYS A 69 29.485 8.104 14.844 1.00 0.00 C ATOM 1100 O LYS A 69 29.530 8.915 13.919 1.00 0.00 O ATOM 1101 CB LYS A 69 27.436 7.033 15.794 1.00 0.00 C ATOM 1102 CG LYS A 69 27.708 5.904 16.776 1.00 0.00 C ATOM 1103 CD LYS A 69 27.401 4.548 16.164 1.00 0.00 C ATOM 1104 CE LYS A 69 28.513 3.548 16.439 1.00 0.00 C ATOM 1105 NZ LYS A 69 29.618 3.658 15.448 1.00 0.00 N ATOM 0 H LYS A 69 26.861 9.442 15.238 1.00 0.00 H new ATOM 0 HA LYS A 69 28.895 8.164 16.897 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.420 7.398 15.946 1.00 0.00 H new ATOM 0 HB3 LYS A 69 27.485 6.639 14.779 1.00 0.00 H new ATOM 0 HG2 LYS A 69 28.752 5.936 17.088 1.00 0.00 H new ATOM 0 HG3 LYS A 69 27.103 6.046 17.672 1.00 0.00 H new ATOM 0 HD2 LYS A 69 26.462 4.170 16.568 1.00 0.00 H new ATOM 0 HD3 LYS A 69 27.265 4.656 15.088 1.00 0.00 H new ATOM 0 HE2 LYS A 69 28.908 3.711 17.442 1.00 0.00 H new ATOM 0 HE3 LYS A 69 28.105 2.537 16.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 29.772 2.734 14.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 29.366 4.361 14.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 30.489 3.956 15.931 1.00 0.00 H new ATOM 1119 N ARG A 70 30.350 7.103 14.973 1.00 0.00 N ATOM 1120 CA ARG A 70 31.428 6.895 14.013 1.00 0.00 C ATOM 1121 C ARG A 70 30.929 6.134 12.789 1.00 0.00 C ATOM 1122 O ARG A 70 29.834 5.572 12.799 1.00 0.00 O ATOM 1123 CB ARG A 70 32.579 6.129 14.667 1.00 0.00 C ATOM 1124 CG ARG A 70 33.261 6.896 15.788 1.00 0.00 C ATOM 1125 CD ARG A 70 34.740 7.100 15.506 1.00 0.00 C ATOM 1126 NE ARG A 70 35.400 7.859 16.565 1.00 0.00 N ATOM 1127 CZ ARG A 70 35.798 9.121 16.431 1.00 0.00 C ATOM 1128 NH1 ARG A 70 35.603 9.765 15.287 1.00 0.00 N ATOM 1129 NH2 ARG A 70 36.391 9.741 17.442 1.00 0.00 N ATOM 0 H ARG A 70 30.325 6.423 15.733 1.00 0.00 H new ATOM 0 HA ARG A 70 31.786 7.873 13.690 1.00 0.00 H new ATOM 0 HB2 ARG A 70 32.199 5.187 15.062 1.00 0.00 H new ATOM 0 HB3 ARG A 70 33.318 5.881 13.905 1.00 0.00 H new ATOM 0 HG2 ARG A 70 32.777 7.864 15.914 1.00 0.00 H new ATOM 0 HG3 ARG A 70 33.140 6.355 16.726 1.00 0.00 H new ATOM 0 HD2 ARG A 70 35.226 6.130 15.399 1.00 0.00 H new ATOM 0 HD3 ARG A 70 34.859 7.623 14.557 1.00 0.00 H new ATOM 0 HE ARG A 70 35.565 7.395 17.458 1.00 0.00 H new ATOM 0 HH11 ARG A 70 35.147 9.292 14.507 1.00 0.00 H new ATOM 0 HH12 ARG A 70 35.910 10.733 15.188 1.00 0.00 H new ATOM 0 HH21 ARG A 70 36.542 9.250 18.323 1.00 0.00 H new ATOM 0 HH22 ARG A 70 36.696 10.709 17.338 1.00 0.00 H new ATOM 1143 N GLU A 71 31.741 6.122 11.738 1.00 0.00 N ATOM 1144 CA GLU A 71 31.387 5.430 10.504 1.00 0.00 C ATOM 1145 C GLU A 71 31.883 3.988 10.527 1.00 0.00 C ATOM 1146 O GLU A 71 31.178 3.112 9.984 1.00 0.00 O ATOM 1147 CB GLU A 71 31.977 6.164 9.297 1.00 0.00 C ATOM 1148 CG GLU A 71 31.553 5.579 7.960 1.00 0.00 C ATOM 1149 CD GLU A 71 30.094 5.839 7.644 1.00 0.00 C ATOM 1150 OE1 GLU A 71 29.793 6.905 7.066 1.00 0.00 O ATOM 1151 OE2 GLU A 71 29.251 4.979 7.975 1.00 0.00 O ATOM 1152 OXT GLU A 71 32.972 3.747 11.088 1.00 0.00 O ATOM 0 H GLU A 71 32.650 6.584 11.716 1.00 0.00 H new ATOM 0 HA GLU A 71 30.300 5.420 10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 71 31.677 7.211 9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 71 33.065 6.141 9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 71 32.173 6.003 7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 71 31.733 4.504 7.965 1.00 0.00 H new TER 1159 GLU A 71