USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 273 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 Single : A 1 ILE N :NH3+ 139:sc= -0.0755 (180deg=-0.245) USER MOD Single : A 2 ASN : amide:sc= -0.09 X(o=-0.09,f=-0.09) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.24) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.329 0.000 0.000 1.00 13.00 N ATOM 2 CA ILE A 1 2.092 -0.002 -1.242 1.00 1.13 C ATOM 3 C ILE A 1 3.537 -0.425 -0.998 1.00 51.41 C ATOM 4 O ILE A 1 4.148 -0.038 -0.003 1.00 32.12 O ATOM 5 CB ILE A 1 2.081 1.385 -1.912 1.00 32.24 C ATOM 6 CG1 ILE A 1 2.459 2.468 -0.899 1.00 20.30 C ATOM 7 CG2 ILE A 1 0.714 1.670 -2.515 1.00 14.41 C ATOM 8 CD1 ILE A 1 3.142 3.665 -1.522 1.00 23.05 C ATOM 0 H1 ILE A 1 0.708 0.834 0.025 1.00 13.00 H new ATOM 0 H2 ILE A 1 0.751 -0.863 0.054 1.00 13.00 H new ATOM 0 H3 ILE A 1 1.982 0.030 0.809 1.00 13.00 H new ATOM 0 HA ILE A 1 1.612 -0.721 -1.906 1.00 1.13 H new ATOM 0 HB ILE A 1 2.819 1.391 -2.714 1.00 32.24 H new ATOM 0 HG12 ILE A 1 1.559 2.801 -0.383 1.00 20.30 H new ATOM 0 HG13 ILE A 1 3.117 2.036 -0.145 1.00 20.30 H new ATOM 0 HG21 ILE A 1 0.721 2.654 -2.985 1.00 14.41 H new ATOM 0 HG22 ILE A 1 0.481 0.912 -3.263 1.00 14.41 H new ATOM 0 HG23 ILE A 1 -0.042 1.649 -1.730 1.00 14.41 H new ATOM 0 HD11 ILE A 1 3.381 4.392 -0.746 1.00 23.05 H new ATOM 0 HD12 ILE A 1 4.060 3.345 -2.014 1.00 23.05 H new ATOM 0 HD13 ILE A 1 2.478 4.122 -2.255 1.00 23.05 H new ATOM 20 N ASN A 2 4.078 -1.220 -1.916 1.00 13.43 N ATOM 21 CA ASN A 2 5.452 -1.694 -1.801 1.00 60.24 C ATOM 22 C ASN A 2 6.442 -0.567 -2.079 1.00 13.32 C ATOM 23 O ASN A 2 6.634 -0.163 -3.226 1.00 10.13 O ATOM 24 CB ASN A 2 5.696 -2.852 -2.771 1.00 70.13 C ATOM 25 CG ASN A 2 4.560 -3.857 -2.770 1.00 11.40 C ATOM 26 OD1 ASN A 2 3.801 -3.954 -3.735 1.00 3.13 O ATOM 27 ND2 ASN A 2 4.438 -4.610 -1.683 1.00 55.30 N ATOM 0 H ASN A 2 3.586 -1.549 -2.747 1.00 13.43 H new ATOM 0 HA ASN A 2 5.605 -2.044 -0.780 1.00 60.24 H new ATOM 0 HB2 ASN A 2 5.827 -2.457 -3.778 1.00 70.13 H new ATOM 0 HB3 ASN A 2 6.624 -3.357 -2.503 1.00 70.13 H new ATOM 0 HD21 ASN A 2 3.692 -5.303 -1.624 1.00 55.30 H new ATOM 0 HD22 ASN A 2 5.090 -4.495 -0.907 1.00 55.30 H new ATOM 34 N VAL A 3 7.068 -0.063 -1.020 1.00 41.32 N ATOM 35 CA VAL A 3 8.039 1.017 -1.149 1.00 25.10 C ATOM 36 C VAL A 3 9.362 0.648 -0.486 1.00 12.42 C ATOM 37 O VAL A 3 9.386 -0.022 0.546 1.00 21.34 O ATOM 38 CB VAL A 3 7.512 2.323 -0.527 1.00 3.53 C ATOM 39 CG1 VAL A 3 8.529 3.443 -0.693 1.00 73.34 C ATOM 40 CG2 VAL A 3 6.177 2.708 -1.147 1.00 24.33 C ATOM 0 H VAL A 3 6.920 -0.385 -0.064 1.00 41.32 H new ATOM 0 HA VAL A 3 8.201 1.172 -2.216 1.00 25.10 H new ATOM 0 HB VAL A 3 7.358 2.160 0.540 1.00 3.53 H new ATOM 0 HG11 VAL A 3 8.139 4.358 -0.247 1.00 73.34 H new ATOM 0 HG12 VAL A 3 9.459 3.166 -0.197 1.00 73.34 H new ATOM 0 HG13 VAL A 3 8.718 3.608 -1.754 1.00 73.34 H new ATOM 0 HG21 VAL A 3 5.819 3.633 -0.695 1.00 24.33 H new ATOM 0 HG22 VAL A 3 6.302 2.853 -2.220 1.00 24.33 H new ATOM 0 HG23 VAL A 3 5.451 1.914 -0.970 1.00 24.33 H new ATOM 50 N LYS A 4 10.462 1.092 -1.085 1.00 73.43 N ATOM 51 CA LYS A 4 11.790 0.811 -0.553 1.00 72.21 C ATOM 52 C LYS A 4 11.902 1.268 0.898 1.00 63.31 C ATOM 53 O LYS A 4 10.979 1.874 1.442 1.00 34.41 O ATOM 54 CB LYS A 4 12.859 1.504 -1.401 1.00 74.23 C ATOM 55 CG LYS A 4 12.684 3.010 -1.488 1.00 41.12 C ATOM 56 CD LYS A 4 13.963 3.694 -1.941 1.00 0.54 C ATOM 57 CE LYS A 4 14.121 3.637 -3.452 1.00 42.13 C ATOM 58 NZ LYS A 4 14.994 4.731 -3.961 1.00 4.05 N ATOM 0 H LYS A 4 10.460 1.648 -1.940 1.00 73.43 H new ATOM 0 HA LYS A 4 11.948 -0.267 -0.590 1.00 72.21 H new ATOM 0 HB2 LYS A 4 13.841 1.284 -0.983 1.00 74.23 H new ATOM 0 HB3 LYS A 4 12.840 1.086 -2.407 1.00 74.23 H new ATOM 0 HG2 LYS A 4 11.879 3.244 -2.184 1.00 41.12 H new ATOM 0 HG3 LYS A 4 12.387 3.400 -0.514 1.00 41.12 H new ATOM 0 HD2 LYS A 4 13.956 4.734 -1.614 1.00 0.54 H new ATOM 0 HD3 LYS A 4 14.820 3.216 -1.466 1.00 0.54 H new ATOM 0 HE2 LYS A 4 14.543 2.673 -3.737 1.00 42.13 H new ATOM 0 HE3 LYS A 4 13.140 3.707 -3.922 1.00 42.13 H new ATOM 0 HZ1 LYS A 4 15.076 4.657 -4.995 1.00 4.05 H new ATOM 0 HZ2 LYS A 4 14.578 5.651 -3.712 1.00 4.05 H new ATOM 0 HZ3 LYS A 4 15.938 4.650 -3.532 1.00 4.05 H new ATOM 72 N CYS A 5 13.040 0.975 1.519 1.00 32.22 N ATOM 73 CA CYS A 5 13.274 1.356 2.907 1.00 40.13 C ATOM 74 C CYS A 5 14.512 2.240 3.026 1.00 1.12 C ATOM 75 O CYS A 5 15.483 2.069 2.289 1.00 0.41 O ATOM 76 CB CYS A 5 13.437 0.110 3.779 1.00 3.13 C ATOM 77 SG CYS A 5 12.722 0.271 5.447 1.00 53.12 S ATOM 0 H CYS A 5 13.815 0.475 1.083 1.00 32.22 H new ATOM 0 HA CYS A 5 12.410 1.923 3.254 1.00 40.13 H new ATOM 0 HB2 CYS A 5 12.970 -0.736 3.275 1.00 3.13 H new ATOM 0 HB3 CYS A 5 14.499 -0.120 3.871 1.00 3.13 H new ATOM 82 N SER A 6 14.470 3.185 3.960 1.00 31.13 N ATOM 83 CA SER A 6 15.586 4.098 4.175 1.00 42.33 C ATOM 84 C SER A 6 15.334 4.989 5.387 1.00 11.32 C ATOM 85 O SER A 6 14.199 5.127 5.846 1.00 40.12 O ATOM 86 CB SER A 6 15.813 4.961 2.932 1.00 54.12 C ATOM 87 OG SER A 6 17.173 5.338 2.814 1.00 45.42 O ATOM 0 H SER A 6 13.675 3.338 4.580 1.00 31.13 H new ATOM 0 HA SER A 6 16.479 3.502 4.364 1.00 42.33 H new ATOM 0 HB2 SER A 6 15.507 4.411 2.043 1.00 54.12 H new ATOM 0 HB3 SER A 6 15.189 5.853 2.986 1.00 54.12 H new ATOM 0 HG SER A 6 17.292 5.887 2.011 1.00 45.42 H new ATOM 93 N LEU A 7 16.400 5.592 5.902 1.00 53.40 N ATOM 94 CA LEU A 7 16.296 6.471 7.062 1.00 52.12 C ATOM 95 C LEU A 7 15.283 7.584 6.813 1.00 40.23 C ATOM 96 O LEU A 7 14.950 7.911 5.673 1.00 23.42 O ATOM 97 CB LEU A 7 17.662 7.074 7.394 1.00 71.14 C ATOM 98 CG LEU A 7 18.594 6.202 8.235 1.00 31.44 C ATOM 99 CD1 LEU A 7 19.968 6.843 8.348 1.00 2.01 C ATOM 100 CD2 LEU A 7 18.000 5.964 9.616 1.00 75.21 C ATOM 0 H LEU A 7 17.346 5.488 5.535 1.00 53.40 H new ATOM 0 HA LEU A 7 15.953 5.876 7.908 1.00 52.12 H new ATOM 0 HB2 LEU A 7 18.168 7.314 6.459 1.00 71.14 H new ATOM 0 HB3 LEU A 7 17.503 8.015 7.921 1.00 71.14 H new ATOM 0 HG LEU A 7 18.705 5.238 7.738 1.00 31.44 H new ATOM 0 HD11 LEU A 7 20.617 6.208 8.950 1.00 2.01 H new ATOM 0 HD12 LEU A 7 20.397 6.961 7.353 1.00 2.01 H new ATOM 0 HD13 LEU A 7 19.876 7.820 8.822 1.00 2.01 H new ATOM 0 HD21 LEU A 7 18.677 5.341 10.201 1.00 75.21 H new ATOM 0 HD22 LEU A 7 17.859 6.920 10.121 1.00 75.21 H new ATOM 0 HD23 LEU A 7 17.038 5.460 9.517 1.00 75.21 H new ATOM 112 N PRO A 8 14.782 8.183 7.903 1.00 12.41 N ATOM 113 CA PRO A 8 13.802 9.271 7.829 1.00 50.24 C ATOM 114 C PRO A 8 14.406 10.559 7.279 1.00 71.25 C ATOM 115 O PRO A 8 13.684 11.470 6.876 1.00 12.51 O ATOM 116 CB PRO A 8 13.372 9.462 9.285 1.00 22.23 C ATOM 117 CG PRO A 8 14.526 8.967 10.088 1.00 15.23 C ATOM 118 CD PRO A 8 15.133 7.846 9.293 1.00 65.45 C ATOM 0 HA PRO A 8 12.979 9.032 7.155 1.00 50.24 H new ATOM 0 HB2 PRO A 8 13.159 10.509 9.501 1.00 22.23 H new ATOM 0 HB3 PRO A 8 12.465 8.900 9.507 1.00 22.23 H new ATOM 0 HG2 PRO A 8 15.252 9.762 10.259 1.00 15.23 H new ATOM 0 HG3 PRO A 8 14.199 8.618 11.067 1.00 15.23 H new ATOM 0 HD2 PRO A 8 16.213 7.793 9.433 1.00 65.45 H new ATOM 0 HD3 PRO A 8 14.726 6.879 9.587 1.00 65.45 H new ATOM 126 N GLN A 9 15.733 10.625 7.264 1.00 2.41 N ATOM 127 CA GLN A 9 16.433 11.802 6.763 1.00 1.41 C ATOM 128 C GLN A 9 16.405 11.845 5.239 1.00 72.22 C ATOM 129 O GLN A 9 16.490 12.915 4.637 1.00 10.04 O ATOM 130 CB GLN A 9 17.880 11.811 7.259 1.00 63.44 C ATOM 131 CG GLN A 9 18.710 10.650 6.733 1.00 11.31 C ATOM 132 CD GLN A 9 20.198 10.858 6.935 1.00 51.34 C ATOM 133 OE1 GLN A 9 20.622 11.503 7.894 1.00 50.51 O ATOM 134 NE2 GLN A 9 21.000 10.311 6.029 1.00 4.30 N ATOM 0 H GLN A 9 16.345 9.878 7.593 1.00 2.41 H new ATOM 0 HA GLN A 9 15.921 12.686 7.142 1.00 1.41 H new ATOM 0 HB2 GLN A 9 18.351 12.748 6.962 1.00 63.44 H new ATOM 0 HB3 GLN A 9 17.882 11.784 8.349 1.00 63.44 H new ATOM 0 HG2 GLN A 9 18.404 9.732 7.235 1.00 11.31 H new ATOM 0 HG3 GLN A 9 18.507 10.515 5.671 1.00 11.31 H new ATOM 0 HE21 GLN A 9 20.605 9.784 5.250 1.00 4.30 H new ATOM 0 HE22 GLN A 9 22.011 10.417 6.112 1.00 4.30 H new ATOM 143 N GLN A 10 16.285 10.674 4.621 1.00 22.03 N ATOM 144 CA GLN A 10 16.247 10.578 3.167 1.00 51.41 C ATOM 145 C GLN A 10 14.925 9.982 2.695 1.00 12.40 C ATOM 146 O GLN A 10 14.857 9.353 1.639 1.00 50.34 O ATOM 147 CB GLN A 10 17.413 9.728 2.660 1.00 41.23 C ATOM 148 CG GLN A 10 18.730 10.484 2.585 1.00 52.21 C ATOM 149 CD GLN A 10 19.636 9.971 1.483 1.00 33.21 C ATOM 150 OE1 GLN A 10 19.430 10.268 0.306 1.00 62.22 O ATOM 151 NE2 GLN A 10 20.646 9.196 1.860 1.00 72.42 N ATOM 0 H GLN A 10 16.212 9.779 5.105 1.00 22.03 H new ATOM 0 HA GLN A 10 16.337 11.585 2.759 1.00 51.41 H new ATOM 0 HB2 GLN A 10 17.535 8.866 3.316 1.00 41.23 H new ATOM 0 HB3 GLN A 10 17.168 9.343 1.670 1.00 41.23 H new ATOM 0 HG2 GLN A 10 18.528 11.542 2.421 1.00 52.21 H new ATOM 0 HG3 GLN A 10 19.246 10.403 3.542 1.00 52.21 H new ATOM 0 HE21 GLN A 10 20.779 8.976 2.847 1.00 72.42 H new ATOM 0 HE22 GLN A 10 21.289 8.821 1.163 1.00 72.42 H new ATOM 160 N CYS A 11 13.875 10.184 3.485 1.00 63.12 N ATOM 161 CA CYS A 11 12.554 9.666 3.149 1.00 5.23 C ATOM 162 C CYS A 11 11.573 10.806 2.892 1.00 71.25 C ATOM 163 O CYS A 11 10.357 10.616 2.948 1.00 45.31 O ATOM 164 CB CYS A 11 12.032 8.774 4.277 1.00 60.43 C ATOM 165 SG CYS A 11 12.093 6.992 3.903 1.00 24.34 S ATOM 0 H CYS A 11 13.914 10.703 4.362 1.00 63.12 H new ATOM 0 HA CYS A 11 12.643 9.074 2.238 1.00 5.23 H new ATOM 0 HB2 CYS A 11 12.616 8.966 5.177 1.00 60.43 H new ATOM 0 HB3 CYS A 11 11.002 9.053 4.499 1.00 60.43 H new ATOM 170 N ILE A 12 12.109 11.988 2.609 1.00 51.23 N ATOM 171 CA ILE A 12 11.281 13.157 2.341 1.00 53.50 C ATOM 172 C ILE A 12 10.547 13.018 1.012 1.00 54.43 C ATOM 173 O ILE A 12 9.398 13.441 0.877 1.00 41.14 O ATOM 174 CB ILE A 12 12.120 14.449 2.318 1.00 21.44 C ATOM 175 CG1 ILE A 12 12.637 14.771 3.722 1.00 41.31 C ATOM 176 CG2 ILE A 12 11.297 15.606 1.772 1.00 22.31 C ATOM 177 CD1 ILE A 12 13.840 13.948 4.127 1.00 74.11 C ATOM 0 H ILE A 12 13.113 12.162 2.559 1.00 51.23 H new ATOM 0 HA ILE A 12 10.554 13.220 3.151 1.00 53.50 H new ATOM 0 HB ILE A 12 12.977 14.297 1.661 1.00 21.44 H new ATOM 0 HG12 ILE A 12 12.897 15.828 3.771 1.00 41.31 H new ATOM 0 HG13 ILE A 12 11.835 14.607 4.442 1.00 41.31 H new ATOM 0 HG21 ILE A 12 11.904 16.511 1.762 1.00 22.31 H new ATOM 0 HG22 ILE A 12 10.973 15.375 0.757 1.00 22.31 H new ATOM 0 HG23 ILE A 12 10.423 15.762 2.405 1.00 22.31 H new ATOM 0 HD11 ILE A 12 14.152 14.230 5.133 1.00 74.11 H new ATOM 0 HD12 ILE A 12 13.579 12.890 4.111 1.00 74.11 H new ATOM 0 HD13 ILE A 12 14.657 14.131 3.429 1.00 74.11 H new ATOM 189 N LYS A 13 11.216 12.421 0.032 1.00 45.42 N ATOM 190 CA LYS A 13 10.628 12.222 -1.287 1.00 41.54 C ATOM 191 C LYS A 13 9.318 11.447 -1.188 1.00 1.43 C ATOM 192 O LYS A 13 8.255 11.925 -1.584 1.00 33.01 O ATOM 193 CB LYS A 13 11.606 11.476 -2.198 1.00 3.54 C ATOM 194 CG LYS A 13 12.315 12.376 -3.196 1.00 33.30 C ATOM 195 CD LYS A 13 12.838 11.586 -4.384 1.00 5.11 C ATOM 196 CE LYS A 13 12.395 12.202 -5.702 1.00 13.11 C ATOM 197 NZ LYS A 13 13.352 13.238 -6.180 1.00 61.43 N ATOM 0 H LYS A 13 12.168 12.066 0.127 1.00 45.42 H new ATOM 0 HA LYS A 13 10.419 13.203 -1.715 1.00 41.54 H new ATOM 0 HB2 LYS A 13 12.351 10.973 -1.582 1.00 3.54 H new ATOM 0 HB3 LYS A 13 11.065 10.701 -2.741 1.00 3.54 H new ATOM 0 HG2 LYS A 13 11.628 13.147 -3.544 1.00 33.30 H new ATOM 0 HG3 LYS A 13 13.143 12.886 -2.704 1.00 33.30 H new ATOM 0 HD2 LYS A 13 13.927 11.549 -4.346 1.00 5.11 H new ATOM 0 HD3 LYS A 13 12.481 10.558 -4.324 1.00 5.11 H new ATOM 0 HE2 LYS A 13 12.301 11.420 -6.455 1.00 13.11 H new ATOM 0 HE3 LYS A 13 11.408 12.648 -5.581 1.00 13.11 H new ATOM 0 HZ1 LYS A 13 13.014 13.633 -7.081 1.00 61.43 H new ATOM 0 HZ2 LYS A 13 13.423 13.998 -5.473 1.00 61.43 H new ATOM 0 HZ3 LYS A 13 14.288 12.807 -6.320 1.00 61.43 H new ATOM 211 N PRO A 14 9.394 10.223 -0.645 1.00 13.33 N ATOM 212 CA PRO A 14 8.223 9.357 -0.478 1.00 54.45 C ATOM 213 C PRO A 14 7.264 9.878 0.587 1.00 75.42 C ATOM 214 O PRO A 14 6.154 9.366 0.741 1.00 51.40 O ATOM 215 CB PRO A 14 8.829 8.020 -0.045 1.00 53.22 C ATOM 216 CG PRO A 14 10.127 8.381 0.589 1.00 24.13 C ATOM 217 CD PRO A 14 10.628 9.590 -0.151 1.00 1.42 C ATOM 0 HA PRO A 14 7.628 9.295 -1.389 1.00 54.45 H new ATOM 0 HB2 PRO A 14 8.177 7.498 0.656 1.00 53.22 H new ATOM 0 HB3 PRO A 14 8.976 7.357 -0.898 1.00 53.22 H new ATOM 0 HG2 PRO A 14 9.996 8.599 1.649 1.00 24.13 H new ATOM 0 HG3 PRO A 14 10.838 7.558 0.518 1.00 24.13 H new ATOM 0 HD2 PRO A 14 11.188 10.258 0.503 1.00 1.42 H new ATOM 0 HD3 PRO A 14 11.293 9.313 -0.969 1.00 1.42 H new ATOM 225 N CYS A 15 7.698 10.897 1.320 1.00 54.30 N ATOM 226 CA CYS A 15 6.878 11.488 2.371 1.00 21.53 C ATOM 227 C CYS A 15 6.686 12.983 2.136 1.00 2.14 C ATOM 228 O CYS A 15 6.598 13.766 3.083 1.00 64.41 O ATOM 229 CB CYS A 15 7.521 11.253 3.740 1.00 53.31 C ATOM 230 SG CYS A 15 7.718 9.496 4.178 1.00 43.14 S ATOM 0 H CYS A 15 8.614 11.331 1.206 1.00 54.30 H new ATOM 0 HA CYS A 15 5.900 11.007 2.349 1.00 21.53 H new ATOM 0 HB2 CYS A 15 8.500 11.732 3.757 1.00 53.31 H new ATOM 0 HB3 CYS A 15 6.914 11.741 4.503 1.00 53.31 H new ATOM 235 N LYS A 16 6.622 13.374 0.868 1.00 34.51 N ATOM 236 CA LYS A 16 6.439 14.774 0.507 1.00 55.25 C ATOM 237 C LYS A 16 4.958 15.140 0.481 1.00 41.51 C ATOM 238 O LYS A 16 4.547 16.144 1.064 1.00 30.31 O ATOM 239 CB LYS A 16 7.068 15.056 -0.859 1.00 44.14 C ATOM 240 CG LYS A 16 7.010 16.519 -1.266 1.00 22.52 C ATOM 241 CD LYS A 16 7.686 16.752 -2.606 1.00 41.05 C ATOM 242 CE LYS A 16 9.177 17.003 -2.443 1.00 2.24 C ATOM 243 NZ LYS A 16 9.807 17.452 -3.715 1.00 63.22 N ATOM 0 H LYS A 16 6.694 12.740 0.072 1.00 34.51 H new ATOM 0 HA LYS A 16 6.934 15.385 1.262 1.00 55.25 H new ATOM 0 HB2 LYS A 16 8.109 14.733 -0.844 1.00 44.14 H new ATOM 0 HB3 LYS A 16 6.559 14.457 -1.614 1.00 44.14 H new ATOM 0 HG2 LYS A 16 5.970 16.841 -1.321 1.00 22.52 H new ATOM 0 HG3 LYS A 16 7.493 17.129 -0.503 1.00 22.52 H new ATOM 0 HD2 LYS A 16 7.530 15.885 -3.249 1.00 41.05 H new ATOM 0 HD3 LYS A 16 7.225 17.605 -3.104 1.00 41.05 H new ATOM 0 HE2 LYS A 16 9.336 17.758 -1.673 1.00 2.24 H new ATOM 0 HE3 LYS A 16 9.663 16.090 -2.100 1.00 2.24 H new ATOM 0 HZ1 LYS A 16 10.823 17.612 -3.562 1.00 63.22 H new ATOM 0 HZ2 LYS A 16 9.678 16.721 -4.443 1.00 63.22 H new ATOM 0 HZ3 LYS A 16 9.361 18.337 -4.030 1.00 63.22 H new ATOM 257 N ASP A 17 4.162 14.321 -0.197 1.00 23.31 N ATOM 258 CA ASP A 17 2.727 14.557 -0.296 1.00 53.31 C ATOM 259 C ASP A 17 2.086 14.599 1.088 1.00 40.43 C ATOM 260 O ASP A 17 1.151 15.363 1.327 1.00 42.13 O ATOM 261 CB ASP A 17 2.066 13.470 -1.145 1.00 23.44 C ATOM 262 CG ASP A 17 2.631 13.409 -2.550 1.00 51.43 C ATOM 263 OD1 ASP A 17 2.639 14.456 -3.232 1.00 64.00 O ATOM 264 OD2 ASP A 17 3.065 12.316 -2.969 1.00 31.15 O ATOM 0 H ASP A 17 4.487 13.487 -0.687 1.00 23.31 H new ATOM 0 HA ASP A 17 2.576 15.524 -0.776 1.00 53.31 H new ATOM 0 HB2 ASP A 17 2.200 12.503 -0.660 1.00 23.44 H new ATOM 0 HB3 ASP A 17 0.993 13.655 -1.196 1.00 23.44 H new ATOM 269 N ALA A 18 2.595 13.773 1.995 1.00 21.42 N ATOM 270 CA ALA A 18 2.073 13.716 3.355 1.00 4.11 C ATOM 271 C ALA A 18 2.434 14.976 4.134 1.00 4.24 C ATOM 272 O ALA A 18 1.765 15.331 5.104 1.00 44.32 O ATOM 273 CB ALA A 18 2.600 12.481 4.071 1.00 14.24 C ATOM 0 H ALA A 18 3.369 13.134 1.813 1.00 21.42 H new ATOM 0 HA ALA A 18 0.986 13.654 3.299 1.00 4.11 H new ATOM 0 HB1 ALA A 18 2.202 12.451 5.085 1.00 14.24 H new ATOM 0 HB2 ALA A 18 2.287 11.587 3.532 1.00 14.24 H new ATOM 0 HB3 ALA A 18 3.689 12.519 4.109 1.00 14.24 H new ATOM 279 N GLY A 19 3.498 15.648 3.704 1.00 10.42 N ATOM 280 CA GLY A 19 3.930 16.861 4.374 1.00 52.20 C ATOM 281 C GLY A 19 4.630 16.580 5.689 1.00 71.34 C ATOM 282 O GLY A 19 4.736 17.458 6.544 1.00 55.43 O ATOM 0 H GLY A 19 4.068 15.374 2.904 1.00 10.42 H new ATOM 0 HA2 GLY A 19 4.603 17.414 3.719 1.00 52.20 H new ATOM 0 HA3 GLY A 19 3.065 17.500 4.555 1.00 52.20 H new ATOM 286 N MET A 20 5.108 15.350 5.851 1.00 10.33 N ATOM 287 CA MET A 20 5.801 14.956 7.072 1.00 22.31 C ATOM 288 C MET A 20 7.307 15.153 6.930 1.00 21.31 C ATOM 289 O MET A 20 7.803 15.462 5.846 1.00 35.52 O ATOM 290 CB MET A 20 5.496 13.495 7.408 1.00 74.30 C ATOM 291 CG MET A 20 4.016 13.152 7.340 1.00 42.10 C ATOM 292 SD MET A 20 3.054 13.969 8.628 1.00 63.30 S ATOM 293 CE MET A 20 1.899 12.671 9.062 1.00 21.42 C ATOM 0 H MET A 20 5.028 14.610 5.153 1.00 10.33 H new ATOM 0 HA MET A 20 5.444 15.590 7.883 1.00 22.31 H new ATOM 0 HB2 MET A 20 6.042 12.851 6.719 1.00 74.30 H new ATOM 0 HB3 MET A 20 5.866 13.276 8.410 1.00 74.30 H new ATOM 0 HG2 MET A 20 3.625 13.438 6.363 1.00 42.10 H new ATOM 0 HG3 MET A 20 3.893 12.073 7.429 1.00 42.10 H new ATOM 0 HE1 MET A 20 1.234 13.024 9.850 1.00 21.42 H new ATOM 0 HE2 MET A 20 1.311 12.399 8.185 1.00 21.42 H new ATOM 0 HE3 MET A 20 2.448 11.798 9.416 1.00 21.42 H new ATOM 303 N ARG A 21 8.029 14.973 8.031 1.00 24.50 N ATOM 304 CA ARG A 21 9.479 15.132 8.029 1.00 55.23 C ATOM 305 C ARG A 21 10.166 13.868 8.535 1.00 33.54 C ATOM 306 O ARG A 21 11.091 13.356 7.905 1.00 43.12 O ATOM 307 CB ARG A 21 9.883 16.327 8.895 1.00 73.15 C ATOM 308 CG ARG A 21 11.191 16.973 8.468 1.00 12.04 C ATOM 309 CD ARG A 21 11.784 17.819 9.584 1.00 14.22 C ATOM 310 NE ARG A 21 13.095 18.354 9.228 1.00 62.30 N ATOM 311 CZ ARG A 21 13.979 18.788 10.120 1.00 71.42 C ATOM 312 NH1 ARG A 21 13.693 18.750 11.414 1.00 71.11 N ATOM 313 NH2 ARG A 21 15.152 19.260 9.718 1.00 52.13 N ATOM 0 H ARG A 21 7.634 14.717 8.936 1.00 24.50 H new ATOM 0 HA ARG A 21 9.798 15.311 7.002 1.00 55.23 H new ATOM 0 HB2 ARG A 21 9.090 17.074 8.861 1.00 73.15 H new ATOM 0 HB3 ARG A 21 9.970 16.001 9.932 1.00 73.15 H new ATOM 0 HG2 ARG A 21 11.903 16.200 8.179 1.00 12.04 H new ATOM 0 HG3 ARG A 21 11.021 17.595 7.589 1.00 12.04 H new ATOM 0 HD2 ARG A 21 11.107 18.642 9.814 1.00 14.22 H new ATOM 0 HD3 ARG A 21 11.872 17.216 10.488 1.00 14.22 H new ATOM 0 HE ARG A 21 13.346 18.397 8.240 1.00 62.30 H new ATOM 0 HH11 ARG A 21 12.793 18.387 11.727 1.00 71.11 H new ATOM 0 HH12 ARG A 21 14.373 19.084 12.097 1.00 71.11 H new ATOM 0 HH21 ARG A 21 15.376 19.290 8.723 1.00 52.13 H new ATOM 0 HH22 ARG A 21 15.830 19.593 10.404 1.00 52.13 H new ATOM 327 N PHE A 22 9.707 13.368 9.678 1.00 14.32 N ATOM 328 CA PHE A 22 10.278 12.164 10.271 1.00 53.52 C ATOM 329 C PHE A 22 9.830 10.919 9.511 1.00 45.34 C ATOM 330 O PHE A 22 9.124 11.011 8.508 1.00 55.20 O ATOM 331 CB PHE A 22 9.870 12.052 11.741 1.00 25.33 C ATOM 332 CG PHE A 22 10.578 13.029 12.636 1.00 51.11 C ATOM 333 CD1 PHE A 22 10.228 14.370 12.633 1.00 61.12 C ATOM 334 CD2 PHE A 22 11.592 12.607 13.480 1.00 1.23 C ATOM 335 CE1 PHE A 22 10.878 15.271 13.454 1.00 10.44 C ATOM 336 CE2 PHE A 22 12.245 13.504 14.304 1.00 4.25 C ATOM 337 CZ PHE A 22 11.887 14.838 14.292 1.00 30.11 C ATOM 0 H PHE A 22 8.941 13.778 10.212 1.00 14.32 H new ATOM 0 HA PHE A 22 11.364 12.237 10.207 1.00 53.52 H new ATOM 0 HB2 PHE A 22 8.795 12.209 11.824 1.00 25.33 H new ATOM 0 HB3 PHE A 22 10.072 11.039 12.090 1.00 25.33 H new ATOM 0 HD1 PHE A 22 9.438 14.714 11.982 1.00 61.12 H new ATOM 0 HD2 PHE A 22 11.876 11.565 13.494 1.00 1.23 H new ATOM 0 HE1 PHE A 22 10.597 16.314 13.441 1.00 10.44 H new ATOM 0 HE2 PHE A 22 13.035 13.162 14.957 1.00 4.25 H new ATOM 0 HZ PHE A 22 12.395 15.541 14.936 1.00 30.11 H new ATOM 347 N GLY A 23 10.249 9.754 9.996 1.00 2.41 N ATOM 348 CA GLY A 23 9.883 8.507 9.351 1.00 43.24 C ATOM 349 C GLY A 23 10.399 7.294 10.099 1.00 51.00 C ATOM 350 O GLY A 23 11.118 7.425 11.090 1.00 42.25 O ATOM 0 H GLY A 23 10.835 9.652 10.824 1.00 2.41 H new ATOM 0 HA2 GLY A 23 8.797 8.447 9.273 1.00 43.24 H new ATOM 0 HA3 GLY A 23 10.277 8.498 8.335 1.00 43.24 H new ATOM 354 N LYS A 24 10.030 6.108 9.626 1.00 12.33 N ATOM 355 CA LYS A 24 10.459 4.866 10.257 1.00 73.52 C ATOM 356 C LYS A 24 10.636 3.762 9.219 1.00 71.11 C ATOM 357 O LYS A 24 9.711 3.445 8.471 1.00 74.41 O ATOM 358 CB LYS A 24 9.442 4.428 11.313 1.00 13.13 C ATOM 359 CG LYS A 24 9.476 5.271 12.576 1.00 11.23 C ATOM 360 CD LYS A 24 10.725 4.996 13.397 1.00 41.35 C ATOM 361 CE LYS A 24 10.663 3.632 14.067 1.00 52.51 C ATOM 362 NZ LYS A 24 11.519 3.573 15.284 1.00 61.12 N ATOM 0 H LYS A 24 9.435 5.981 8.808 1.00 12.33 H new ATOM 0 HA LYS A 24 11.420 5.046 10.739 1.00 73.52 H new ATOM 0 HB2 LYS A 24 8.442 4.473 10.883 1.00 13.13 H new ATOM 0 HB3 LYS A 24 9.629 3.387 11.576 1.00 13.13 H new ATOM 0 HG2 LYS A 24 9.440 6.328 12.310 1.00 11.23 H new ATOM 0 HG3 LYS A 24 8.591 5.063 13.177 1.00 11.23 H new ATOM 0 HD2 LYS A 24 11.603 5.047 12.753 1.00 41.35 H new ATOM 0 HD3 LYS A 24 10.841 5.770 14.156 1.00 41.35 H new ATOM 0 HE2 LYS A 24 9.631 3.407 14.337 1.00 52.51 H new ATOM 0 HE3 LYS A 24 10.982 2.866 13.361 1.00 52.51 H new ATOM 0 HZ1 LYS A 24 11.450 2.628 15.712 1.00 61.12 H new ATOM 0 HZ2 LYS A 24 12.508 3.763 15.023 1.00 61.12 H new ATOM 0 HZ3 LYS A 24 11.199 4.287 15.969 1.00 61.12 H new ATOM 376 N CYS A 25 11.829 3.179 9.179 1.00 5.15 N ATOM 377 CA CYS A 25 12.128 2.110 8.234 1.00 22.05 C ATOM 378 C CYS A 25 11.908 0.742 8.873 1.00 32.24 C ATOM 379 O CYS A 25 12.505 0.422 9.901 1.00 14.10 O ATOM 380 CB CYS A 25 13.571 2.227 7.739 1.00 11.20 C ATOM 381 SG CYS A 25 14.126 0.818 6.727 1.00 43.13 S ATOM 0 H CYS A 25 12.606 3.429 9.791 1.00 5.15 H new ATOM 0 HA CYS A 25 11.451 2.209 7.386 1.00 22.05 H new ATOM 0 HB2 CYS A 25 13.670 3.142 7.155 1.00 11.20 H new ATOM 0 HB3 CYS A 25 14.232 2.325 8.600 1.00 11.20 H new ATOM 386 N MET A 26 11.047 -0.061 8.257 1.00 72.21 N ATOM 387 CA MET A 26 10.749 -1.395 8.765 1.00 73.45 C ATOM 388 C MET A 26 9.959 -2.203 7.740 1.00 55.03 C ATOM 389 O MET A 26 9.232 -1.642 6.921 1.00 72.13 O ATOM 390 CB MET A 26 9.963 -1.302 10.074 1.00 75.43 C ATOM 391 CG MET A 26 8.542 -0.790 9.895 1.00 65.52 C ATOM 392 SD MET A 26 7.623 -0.736 11.445 1.00 62.40 S ATOM 393 CE MET A 26 6.496 -2.110 11.218 1.00 1.23 C ATOM 0 H MET A 26 10.544 0.189 7.406 1.00 72.21 H new ATOM 0 HA MET A 26 11.694 -1.905 8.953 1.00 73.45 H new ATOM 0 HB2 MET A 26 9.930 -2.287 10.539 1.00 75.43 H new ATOM 0 HB3 MET A 26 10.494 -0.643 10.761 1.00 75.43 H new ATOM 0 HG2 MET A 26 8.572 0.209 9.460 1.00 65.52 H new ATOM 0 HG3 MET A 26 8.016 -1.430 9.187 1.00 65.52 H new ATOM 0 HE1 MET A 26 5.858 -2.206 12.097 1.00 1.23 H new ATOM 0 HE2 MET A 26 5.878 -1.932 10.338 1.00 1.23 H new ATOM 0 HE3 MET A 26 7.066 -3.029 11.081 1.00 1.23 H new ATOM 403 N ASN A 27 10.106 -3.523 7.791 1.00 4.24 N ATOM 404 CA ASN A 27 9.407 -4.407 6.867 1.00 72.15 C ATOM 405 C ASN A 27 9.690 -4.015 5.420 1.00 52.34 C ATOM 406 O ASN A 27 8.805 -4.071 4.565 1.00 64.02 O ATOM 407 CB ASN A 27 7.901 -4.368 7.132 1.00 75.40 C ATOM 408 CG ASN A 27 7.163 -5.503 6.447 1.00 24.34 C ATOM 409 OD1 ASN A 27 7.376 -6.675 6.760 1.00 4.34 O ATOM 410 ND2 ASN A 27 6.291 -5.160 5.507 1.00 10.21 N ATOM 0 H ASN A 27 10.704 -4.004 8.463 1.00 4.24 H new ATOM 0 HA ASN A 27 9.772 -5.422 7.028 1.00 72.15 H new ATOM 0 HB2 ASN A 27 7.723 -4.418 8.206 1.00 75.40 H new ATOM 0 HB3 ASN A 27 7.499 -3.416 6.786 1.00 75.40 H new ATOM 0 HD21 ASN A 27 5.765 -5.880 5.012 1.00 10.21 H new ATOM 0 HD22 ASN A 27 6.146 -4.176 5.280 1.00 10.21 H new ATOM 417 N LYS A 28 10.929 -3.617 5.152 1.00 60.43 N ATOM 418 CA LYS A 28 11.331 -3.217 3.809 1.00 61.05 C ATOM 419 C LYS A 28 10.458 -2.076 3.297 1.00 41.24 C ATOM 420 O LYS A 28 10.250 -1.931 2.092 1.00 65.33 O ATOM 421 CB LYS A 28 11.245 -4.408 2.852 1.00 74.23 C ATOM 422 CG LYS A 28 12.304 -5.467 3.102 1.00 60.53 C ATOM 423 CD LYS A 28 13.629 -5.094 2.458 1.00 73.23 C ATOM 424 CE LYS A 28 13.687 -5.540 1.005 1.00 43.03 C ATOM 425 NZ LYS A 28 15.087 -5.768 0.550 1.00 20.25 N ATOM 0 H LYS A 28 11.673 -3.563 5.848 1.00 60.43 H new ATOM 0 HA LYS A 28 12.363 -2.869 3.854 1.00 61.05 H new ATOM 0 HB2 LYS A 28 10.259 -4.864 2.941 1.00 74.23 H new ATOM 0 HB3 LYS A 28 11.338 -4.048 1.828 1.00 74.23 H new ATOM 0 HG2 LYS A 28 12.444 -5.597 4.175 1.00 60.53 H new ATOM 0 HG3 LYS A 28 11.963 -6.424 2.707 1.00 60.53 H new ATOM 0 HD2 LYS A 28 13.771 -4.015 2.514 1.00 73.23 H new ATOM 0 HD3 LYS A 28 14.447 -5.553 3.014 1.00 73.23 H new ATOM 0 HE2 LYS A 28 13.112 -6.458 0.884 1.00 43.03 H new ATOM 0 HE3 LYS A 28 13.219 -4.784 0.374 1.00 43.03 H new ATOM 0 HZ1 LYS A 28 15.084 -6.071 -0.445 1.00 20.25 H new ATOM 0 HZ2 LYS A 28 15.630 -4.886 0.642 1.00 20.25 H new ATOM 0 HZ3 LYS A 28 15.526 -6.507 1.135 1.00 20.25 H new ATOM 439 N LYS A 29 9.950 -1.266 4.219 1.00 32.14 N ATOM 440 CA LYS A 29 9.101 -0.135 3.862 1.00 24.42 C ATOM 441 C LYS A 29 9.390 1.066 4.757 1.00 20.42 C ATOM 442 O LYS A 29 9.731 0.911 5.930 1.00 23.22 O ATOM 443 CB LYS A 29 7.625 -0.524 3.973 1.00 63.04 C ATOM 444 CG LYS A 29 6.671 0.609 3.638 1.00 42.33 C ATOM 445 CD LYS A 29 5.226 0.141 3.643 1.00 54.24 C ATOM 446 CE LYS A 29 4.260 1.315 3.703 1.00 31.33 C ATOM 447 NZ LYS A 29 2.866 0.872 3.986 1.00 4.31 N ATOM 0 H LYS A 29 10.111 -1.372 5.221 1.00 32.14 H new ATOM 0 HA LYS A 29 9.321 0.141 2.831 1.00 24.42 H new ATOM 0 HB2 LYS A 29 7.428 -1.363 3.306 1.00 63.04 H new ATOM 0 HB3 LYS A 29 7.424 -0.869 4.987 1.00 63.04 H new ATOM 0 HG2 LYS A 29 6.795 1.416 4.360 1.00 42.33 H new ATOM 0 HG3 LYS A 29 6.919 1.017 2.658 1.00 42.33 H new ATOM 0 HD2 LYS A 29 5.030 -0.447 2.747 1.00 54.24 H new ATOM 0 HD3 LYS A 29 5.058 -0.514 4.498 1.00 54.24 H new ATOM 0 HE2 LYS A 29 4.583 2.012 4.476 1.00 31.33 H new ATOM 0 HE3 LYS A 29 4.285 1.854 2.756 1.00 31.33 H new ATOM 0 HZ1 LYS A 29 2.238 1.701 4.019 1.00 4.31 H new ATOM 0 HZ2 LYS A 29 2.548 0.226 3.235 1.00 4.31 H new ATOM 0 HZ3 LYS A 29 2.837 0.379 4.902 1.00 4.31 H new ATOM 461 N CYS A 30 9.250 2.262 4.197 1.00 14.42 N ATOM 462 CA CYS A 30 9.494 3.490 4.944 1.00 1.22 C ATOM 463 C CYS A 30 8.182 4.196 5.276 1.00 62.51 C ATOM 464 O CYS A 30 7.399 4.523 4.384 1.00 2.52 O ATOM 465 CB CYS A 30 10.401 4.427 4.144 1.00 63.11 C ATOM 466 SG CYS A 30 10.641 6.063 4.909 1.00 73.14 S ATOM 0 H CYS A 30 8.969 2.407 3.227 1.00 14.42 H new ATOM 0 HA CYS A 30 9.990 3.224 5.878 1.00 1.22 H new ATOM 0 HB2 CYS A 30 11.373 3.952 4.016 1.00 63.11 H new ATOM 0 HB3 CYS A 30 9.978 4.562 3.148 1.00 63.11 H new ATOM 471 N ARG A 31 7.950 4.426 6.564 1.00 73.30 N ATOM 472 CA ARG A 31 6.733 5.091 7.014 1.00 70.02 C ATOM 473 C ARG A 31 6.985 6.575 7.263 1.00 41.21 C ATOM 474 O ARG A 31 8.070 6.968 7.693 1.00 32.05 O ATOM 475 CB ARG A 31 6.207 4.431 8.290 1.00 63.12 C ATOM 476 CG ARG A 31 6.210 2.912 8.236 1.00 65.15 C ATOM 477 CD ARG A 31 5.620 2.308 9.500 1.00 1.01 C ATOM 478 NE ARG A 31 4.220 2.680 9.682 1.00 75.10 N ATOM 479 CZ ARG A 31 3.563 2.534 10.828 1.00 42.14 C ATOM 480 NH1 ARG A 31 4.178 2.027 11.888 1.00 53.34 N ATOM 481 NH2 ARG A 31 2.290 2.896 10.915 1.00 74.02 N ATOM 0 H ARG A 31 8.589 4.162 7.314 1.00 73.30 H new ATOM 0 HA ARG A 31 5.984 4.994 6.228 1.00 70.02 H new ATOM 0 HB2 ARG A 31 6.814 4.757 9.134 1.00 63.12 H new ATOM 0 HB3 ARG A 31 5.190 4.777 8.476 1.00 63.12 H new ATOM 0 HG2 ARG A 31 5.639 2.577 7.370 1.00 65.15 H new ATOM 0 HG3 ARG A 31 7.231 2.554 8.103 1.00 65.15 H new ATOM 0 HD2 ARG A 31 5.704 1.222 9.456 1.00 1.01 H new ATOM 0 HD3 ARG A 31 6.198 2.638 10.363 1.00 1.01 H new ATOM 0 HE ARG A 31 3.719 3.074 8.886 1.00 75.10 H new ATOM 0 HH11 ARG A 31 5.157 1.748 11.825 1.00 53.34 H new ATOM 0 HH12 ARG A 31 3.672 1.916 12.767 1.00 53.34 H new ATOM 0 HH21 ARG A 31 1.814 3.287 10.102 1.00 74.02 H new ATOM 0 HH22 ARG A 31 1.787 2.783 11.795 1.00 74.02 H new ATOM 495 N CYS A 32 5.976 7.396 6.989 1.00 64.53 N ATOM 496 CA CYS A 32 6.088 8.836 7.181 1.00 14.35 C ATOM 497 C CYS A 32 5.542 9.246 8.547 1.00 45.14 C ATOM 498 O CYS A 32 4.432 8.870 8.922 1.00 73.14 O ATOM 499 CB CYS A 32 5.336 9.580 6.076 1.00 74.53 C ATOM 500 SG CYS A 32 5.693 8.972 4.396 1.00 51.12 S ATOM 0 H CYS A 32 5.071 7.087 6.633 1.00 64.53 H new ATOM 0 HA CYS A 32 7.144 9.102 7.135 1.00 14.35 H new ATOM 0 HB2 CYS A 32 4.265 9.498 6.261 1.00 74.53 H new ATOM 0 HB3 CYS A 32 5.588 10.639 6.129 1.00 74.53 H new ATOM 505 N TYR A 33 6.331 10.019 9.284 1.00 4.14 N ATOM 506 CA TYR A 33 5.930 10.479 10.609 1.00 75.44 C ATOM 507 C TYR A 33 6.101 11.989 10.736 1.00 11.23 C ATOM 508 O TYR A 33 7.061 12.562 10.222 1.00 44.01 O ATOM 509 CB TYR A 33 6.748 9.768 11.688 1.00 11.21 C ATOM 510 CG TYR A 33 6.106 8.498 12.197 1.00 74.52 C ATOM 511 CD1 TYR A 33 6.341 7.279 11.572 1.00 21.23 C ATOM 512 CD2 TYR A 33 5.263 8.516 13.301 1.00 75.50 C ATOM 513 CE1 TYR A 33 5.756 6.115 12.033 1.00 10.21 C ATOM 514 CE2 TYR A 33 4.674 7.357 13.770 1.00 63.25 C ATOM 515 CZ TYR A 33 4.924 6.159 13.132 1.00 12.32 C ATOM 516 OH TYR A 33 4.339 5.003 13.595 1.00 54.10 O ATOM 0 H TYR A 33 7.252 10.341 8.987 1.00 4.14 H new ATOM 0 HA TYR A 33 4.876 10.239 10.746 1.00 75.44 H new ATOM 0 HB2 TYR A 33 7.734 9.531 11.288 1.00 11.21 H new ATOM 0 HB3 TYR A 33 6.899 10.449 12.525 1.00 11.21 H new ATOM 0 HD1 TYR A 33 6.992 7.241 10.711 1.00 21.23 H new ATOM 0 HD2 TYR A 33 5.064 9.452 13.802 1.00 75.50 H new ATOM 0 HE1 TYR A 33 5.949 5.176 11.535 1.00 10.21 H new ATOM 0 HE2 TYR A 33 4.022 7.389 14.630 1.00 63.25 H new ATOM 0 HH TYR A 33 3.784 5.208 14.376 1.00 54.10 H new ATOM 526 N SER A 34 5.162 12.628 11.427 1.00 40.42 N ATOM 527 CA SER A 34 5.206 14.073 11.621 1.00 51.04 C ATOM 528 C SER A 34 6.557 14.505 12.183 1.00 32.11 C ATOM 529 O SER A 34 7.205 13.755 12.911 1.00 44.02 O ATOM 530 CB SER A 34 4.084 14.517 12.561 1.00 73.01 C ATOM 531 OG SER A 34 4.112 13.781 13.771 1.00 34.15 O ATOM 0 H SER A 34 4.362 12.168 11.862 1.00 40.42 H new ATOM 0 HA SER A 34 5.067 14.549 10.651 1.00 51.04 H new ATOM 0 HB2 SER A 34 4.185 15.581 12.776 1.00 73.01 H new ATOM 0 HB3 SER A 34 3.120 14.381 12.071 1.00 73.01 H new ATOM 0 HG SER A 34 3.386 14.085 14.355 1.00 34.15 H new TER 537 SER A 34