USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 507 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -38:sc= 1.21 USER MOD Single : A 9 ASN : amide:sc= -0.0249 K(o=-0.025,f=-2.5!) USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00549) USER MOD Single : A 14 ASN : amide:sc= -0.0526 K(o=-0.053,f=-0.84) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.21) USER MOD Single : A 25 SER OG : rot 54:sc= 1.26 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.0326 K(o=-0.033,f=-1.3) USER MOD Single : A 31 MET CE :methyl 148:sc= -0.17 (180deg=-1.2) USER MOD Single : A 32 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.3) USER MOD Single : A 34 ASN : amide:sc= -0.0276 K(o=-0.028,f=-1.3) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.563 K(o=-0.56,f=-2.4) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 46 ASN : amide:sc= 0.412 K(o=0.41,f=-8.6!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 49 SER OG : rot -130:sc= 1.73 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 17.828 32.506 14.279 1.00 0.00 N ATOM 2 CA PRO A 1 18.353 33.713 14.950 1.00 0.00 C ATOM 3 C PRO A 1 19.805 33.546 15.436 1.00 0.00 C ATOM 4 O PRO A 1 20.491 32.605 15.027 1.00 0.00 O ATOM 5 CB PRO A 1 17.352 34.043 16.072 1.00 0.00 C ATOM 6 CG PRO A 1 16.165 33.100 15.858 1.00 0.00 C ATOM 7 CD PRO A 1 16.373 32.630 14.427 1.00 0.00 C ATOM 0 H2 PRO A 1 18.178 31.653 14.715 1.00 0.00 H new ATOM 0 H3 PRO A 1 18.103 32.473 13.297 1.00 0.00 H new ATOM 0 HA PRO A 1 18.427 34.550 14.255 1.00 0.00 H new ATOM 0 HB2 PRO A 1 17.800 33.892 17.054 1.00 0.00 H new ATOM 0 HB3 PRO A 1 17.038 35.086 16.022 1.00 0.00 H new ATOM 0 HG2 PRO A 1 16.174 32.269 16.564 1.00 0.00 H new ATOM 0 HG3 PRO A 1 15.211 33.613 15.982 1.00 0.00 H new ATOM 0 HD2 PRO A 1 15.875 31.677 14.248 1.00 0.00 H new ATOM 0 HD3 PRO A 1 15.962 33.344 13.713 1.00 0.00 H new ATOM 15 N LYS A 2 20.276 34.463 16.291 1.00 0.00 N ATOM 16 CA LYS A 2 21.598 34.444 16.936 1.00 0.00 C ATOM 17 C LYS A 2 21.489 34.516 18.464 1.00 0.00 C ATOM 18 O LYS A 2 20.779 35.347 19.030 1.00 0.00 O ATOM 19 CB LYS A 2 22.466 35.592 16.393 1.00 0.00 C ATOM 20 CG LYS A 2 22.808 35.415 14.902 1.00 0.00 C ATOM 21 CD LYS A 2 23.724 36.525 14.371 1.00 0.00 C ATOM 22 CE LYS A 2 23.014 37.881 14.393 1.00 0.00 C ATOM 23 NZ LYS A 2 23.898 38.974 13.934 1.00 0.00 N ATOM 0 H LYS A 2 19.723 35.275 16.565 1.00 0.00 H new ATOM 0 HA LYS A 2 22.076 33.494 16.695 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.942 36.538 16.533 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.389 35.650 16.970 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.292 34.449 14.756 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.886 35.401 14.321 1.00 0.00 H new ATOM 0 HD2 LYS A 2 24.629 36.575 14.976 1.00 0.00 H new ATOM 0 HD3 LYS A 2 24.034 36.289 13.353 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.130 37.838 13.757 1.00 0.00 H new ATOM 0 HE3 LYS A 2 22.669 38.094 15.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 23.380 39.875 13.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 24.730 39.032 14.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 24.207 38.784 12.959 1.00 0.00 H new ATOM 37 N SER A 3 22.239 33.650 19.132 1.00 0.00 N ATOM 38 CA SER A 3 22.350 33.525 20.587 1.00 0.00 C ATOM 39 C SER A 3 23.801 33.223 20.973 1.00 0.00 C ATOM 40 O SER A 3 24.648 33.035 20.099 1.00 0.00 O ATOM 41 CB SER A 3 21.395 32.432 21.081 1.00 0.00 C ATOM 42 OG SER A 3 20.722 32.848 22.251 1.00 0.00 O ATOM 0 H SER A 3 22.825 32.971 18.645 1.00 0.00 H new ATOM 0 HA SER A 3 22.067 34.463 21.064 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.669 32.197 20.302 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.954 31.518 21.282 1.00 0.00 H new ATOM 0 HG SER A 3 21.337 33.357 22.819 1.00 0.00 H new ATOM 48 N ARG A 4 24.138 33.215 22.265 1.00 0.00 N ATOM 49 CA ARG A 4 25.524 33.145 22.757 1.00 0.00 C ATOM 50 C ARG A 4 25.609 32.323 24.049 1.00 0.00 C ATOM 51 O ARG A 4 24.732 32.432 24.903 1.00 0.00 O ATOM 52 CB ARG A 4 26.037 34.585 22.941 1.00 0.00 C ATOM 53 CG ARG A 4 26.228 35.329 21.603 1.00 0.00 C ATOM 54 CD ARG A 4 26.691 36.770 21.796 1.00 0.00 C ATOM 55 NE ARG A 4 25.612 37.620 22.328 1.00 0.00 N ATOM 56 CZ ARG A 4 25.737 38.594 23.206 1.00 0.00 C ATOM 57 NH1 ARG A 4 26.877 38.934 23.725 1.00 0.00 N ATOM 58 NH2 ARG A 4 24.682 39.244 23.583 1.00 0.00 N ATOM 0 H ARG A 4 23.447 33.258 23.014 1.00 0.00 H new ATOM 0 HA ARG A 4 26.159 32.631 22.035 1.00 0.00 H new ATOM 0 HB2 ARG A 4 25.334 35.139 23.562 1.00 0.00 H new ATOM 0 HB3 ARG A 4 26.986 34.562 23.477 1.00 0.00 H new ATOM 0 HG2 ARG A 4 26.958 34.795 20.995 1.00 0.00 H new ATOM 0 HG3 ARG A 4 25.288 35.324 21.051 1.00 0.00 H new ATOM 0 HD2 ARG A 4 27.541 36.791 22.478 1.00 0.00 H new ATOM 0 HD3 ARG A 4 27.036 37.173 20.844 1.00 0.00 H new ATOM 0 HE ARG A 4 24.671 37.435 21.981 1.00 0.00 H new ATOM 0 HH11 ARG A 4 27.728 38.439 23.456 1.00 0.00 H new ATOM 0 HH12 ARG A 4 26.922 39.696 24.402 1.00 0.00 H new ATOM 0 HH21 ARG A 4 23.769 38.999 23.201 1.00 0.00 H new ATOM 0 HH22 ARG A 4 24.765 40.000 24.262 1.00 0.00 H new ATOM 72 N LEU A 5 26.631 31.476 24.151 1.00 0.00 N ATOM 73 CA LEU A 5 26.851 30.502 25.221 1.00 0.00 C ATOM 74 C LEU A 5 28.325 30.531 25.652 1.00 0.00 C ATOM 75 O LEU A 5 29.220 30.334 24.833 1.00 0.00 O ATOM 76 CB LEU A 5 26.421 29.118 24.685 1.00 0.00 C ATOM 77 CG LEU A 5 26.397 27.971 25.716 1.00 0.00 C ATOM 78 CD1 LEU A 5 25.693 26.744 25.135 1.00 0.00 C ATOM 79 CD2 LEU A 5 27.797 27.518 26.132 1.00 0.00 C ATOM 0 H LEU A 5 27.371 31.449 23.449 1.00 0.00 H new ATOM 0 HA LEU A 5 26.261 30.737 26.107 1.00 0.00 H new ATOM 0 HB2 LEU A 5 25.425 29.212 24.252 1.00 0.00 H new ATOM 0 HB3 LEU A 5 27.095 28.838 23.876 1.00 0.00 H new ATOM 0 HG LEU A 5 25.871 28.368 26.584 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.685 25.944 25.876 1.00 0.00 H new ATOM 0 HD12 LEU A 5 24.668 27.004 24.871 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.223 26.408 24.244 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.717 26.709 26.858 1.00 0.00 H new ATOM 0 HD22 LEU A 5 28.341 27.166 25.256 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.333 28.356 26.579 1.00 0.00 H new ATOM 91 N PHE A 6 28.584 30.710 26.946 1.00 0.00 N ATOM 92 CA PHE A 6 29.924 30.659 27.538 1.00 0.00 C ATOM 93 C PHE A 6 30.054 29.522 28.554 1.00 0.00 C ATOM 94 O PHE A 6 29.116 29.284 29.315 1.00 0.00 O ATOM 95 CB PHE A 6 30.200 32.006 28.209 1.00 0.00 C ATOM 96 CG PHE A 6 31.593 32.147 28.779 1.00 0.00 C ATOM 97 CD1 PHE A 6 32.665 32.426 27.918 1.00 0.00 C ATOM 98 CD2 PHE A 6 31.819 32.031 30.163 1.00 0.00 C ATOM 99 CE1 PHE A 6 33.955 32.607 28.438 1.00 0.00 C ATOM 100 CE2 PHE A 6 33.108 32.235 30.686 1.00 0.00 C ATOM 101 CZ PHE A 6 34.178 32.523 29.823 1.00 0.00 C ATOM 0 H PHE A 6 27.852 30.899 27.630 1.00 0.00 H new ATOM 0 HA PHE A 6 30.654 30.465 26.752 1.00 0.00 H new ATOM 0 HB2 PHE A 6 30.036 32.801 27.481 1.00 0.00 H new ATOM 0 HB3 PHE A 6 29.476 32.154 29.010 1.00 0.00 H new ATOM 0 HD1 PHE A 6 32.497 32.501 26.854 1.00 0.00 H new ATOM 0 HD2 PHE A 6 31.001 31.785 30.824 1.00 0.00 H new ATOM 0 HE1 PHE A 6 34.780 32.812 27.772 1.00 0.00 H new ATOM 0 HE2 PHE A 6 33.275 32.170 31.751 1.00 0.00 H new ATOM 0 HZ PHE A 6 35.169 32.679 30.223 1.00 0.00 H new ATOM 111 N ILE A 7 31.224 28.876 28.622 1.00 0.00 N ATOM 112 CA ILE A 7 31.587 27.917 29.674 1.00 0.00 C ATOM 113 C ILE A 7 32.947 28.310 30.263 1.00 0.00 C ATOM 114 O ILE A 7 33.975 28.245 29.583 1.00 0.00 O ATOM 115 CB ILE A 7 31.603 26.445 29.185 1.00 0.00 C ATOM 116 CG1 ILE A 7 30.512 26.045 28.164 1.00 0.00 C ATOM 117 CG2 ILE A 7 31.458 25.548 30.428 1.00 0.00 C ATOM 118 CD1 ILE A 7 30.924 26.293 26.705 1.00 0.00 C ATOM 0 H ILE A 7 31.963 29.008 27.931 1.00 0.00 H new ATOM 0 HA ILE A 7 30.815 27.964 30.442 1.00 0.00 H new ATOM 0 HB ILE A 7 32.543 26.320 28.648 1.00 0.00 H new ATOM 0 HG12 ILE A 7 30.274 24.989 28.292 1.00 0.00 H new ATOM 0 HG13 ILE A 7 29.602 26.605 28.377 1.00 0.00 H new ATOM 0 HG21 ILE A 7 31.465 24.501 30.124 1.00 0.00 H new ATOM 0 HG22 ILE A 7 32.288 25.734 31.109 1.00 0.00 H new ATOM 0 HG23 ILE A 7 30.518 25.773 30.932 1.00 0.00 H new ATOM 0 HD11 ILE A 7 30.114 25.991 26.042 1.00 0.00 H new ATOM 0 HD12 ILE A 7 31.134 27.353 26.561 1.00 0.00 H new ATOM 0 HD13 ILE A 7 31.817 25.712 26.475 1.00 0.00 H new ATOM 130 N GLY A 8 32.962 28.711 31.537 1.00 0.00 N ATOM 131 CA GLY A 8 34.156 29.259 32.185 1.00 0.00 C ATOM 132 C GLY A 8 35.221 28.213 32.513 1.00 0.00 C ATOM 133 O GLY A 8 36.408 28.484 32.350 1.00 0.00 O ATOM 0 H GLY A 8 32.147 28.665 32.148 1.00 0.00 H new ATOM 0 HA2 GLY A 8 34.594 30.017 31.535 1.00 0.00 H new ATOM 0 HA3 GLY A 8 33.859 29.761 33.106 1.00 0.00 H new ATOM 137 N ASN A 9 34.818 27.008 32.934 1.00 0.00 N ATOM 138 CA ASN A 9 35.726 25.925 33.330 1.00 0.00 C ATOM 139 C ASN A 9 35.110 24.539 33.058 1.00 0.00 C ATOM 140 O ASN A 9 34.576 23.891 33.958 1.00 0.00 O ATOM 141 CB ASN A 9 36.095 26.130 34.810 1.00 0.00 C ATOM 142 CG ASN A 9 37.000 25.047 35.369 1.00 0.00 C ATOM 143 OD1 ASN A 9 37.819 24.445 34.691 1.00 0.00 O ATOM 144 ND2 ASN A 9 36.899 24.763 36.640 1.00 0.00 N ATOM 0 H ASN A 9 33.833 26.754 33.010 1.00 0.00 H new ATOM 0 HA ASN A 9 36.635 25.958 32.729 1.00 0.00 H new ATOM 0 HB2 ASN A 9 36.587 27.096 34.922 1.00 0.00 H new ATOM 0 HB3 ASN A 9 35.180 26.168 35.401 1.00 0.00 H new ATOM 0 HD21 ASN A 9 37.499 24.048 37.052 1.00 0.00 H new ATOM 0 HD22 ASN A 9 36.220 25.256 37.220 1.00 0.00 H new ATOM 151 N LEU A 10 35.165 24.093 31.799 1.00 0.00 N ATOM 152 CA LEU A 10 34.831 22.721 31.381 1.00 0.00 C ATOM 153 C LEU A 10 35.583 22.303 30.092 1.00 0.00 C ATOM 154 O LEU A 10 36.230 21.257 30.116 1.00 0.00 O ATOM 155 CB LEU A 10 33.296 22.550 31.267 1.00 0.00 C ATOM 156 CG LEU A 10 32.753 21.175 31.706 1.00 0.00 C ATOM 157 CD1 LEU A 10 31.224 21.214 31.719 1.00 0.00 C ATOM 158 CD2 LEU A 10 33.179 20.034 30.782 1.00 0.00 C ATOM 0 H LEU A 10 35.450 24.688 31.021 1.00 0.00 H new ATOM 0 HA LEU A 10 35.178 22.035 32.154 1.00 0.00 H new ATOM 0 HB2 LEU A 10 32.815 23.321 31.869 1.00 0.00 H new ATOM 0 HB3 LEU A 10 33.003 22.724 30.232 1.00 0.00 H new ATOM 0 HG LEU A 10 33.168 20.983 32.696 1.00 0.00 H new ATOM 0 HD11 LEU A 10 30.838 20.243 32.029 1.00 0.00 H new ATOM 0 HD12 LEU A 10 30.885 21.979 32.418 1.00 0.00 H new ATOM 0 HD13 LEU A 10 30.857 21.448 30.719 1.00 0.00 H new ATOM 0 HD21 LEU A 10 32.763 19.095 31.148 1.00 0.00 H new ATOM 0 HD22 LEU A 10 32.811 20.225 29.774 1.00 0.00 H new ATOM 0 HD23 LEU A 10 34.267 19.967 30.765 1.00 0.00 H new ATOM 170 N PRO A 11 35.624 23.103 28.999 1.00 0.00 N ATOM 171 CA PRO A 11 36.293 22.719 27.744 1.00 0.00 C ATOM 172 C PRO A 11 37.819 22.964 27.757 1.00 0.00 C ATOM 173 O PRO A 11 38.400 23.465 26.789 1.00 0.00 O ATOM 174 CB PRO A 11 35.540 23.485 26.650 1.00 0.00 C ATOM 175 CG PRO A 11 35.193 24.791 27.355 1.00 0.00 C ATOM 176 CD PRO A 11 34.870 24.337 28.775 1.00 0.00 C ATOM 0 HA PRO A 11 36.244 21.644 27.572 1.00 0.00 H new ATOM 0 HB2 PRO A 11 36.159 23.650 25.768 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.649 22.952 26.319 1.00 0.00 H new ATOM 0 HG2 PRO A 11 36.026 25.494 27.335 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.344 25.289 26.887 1.00 0.00 H new ATOM 0 HD2 PRO A 11 35.152 25.101 29.500 1.00 0.00 H new ATOM 0 HD3 PRO A 11 33.800 24.165 28.893 1.00 0.00 H new ATOM 184 N LEU A 12 38.490 22.605 28.856 1.00 0.00 N ATOM 185 CA LEU A 12 39.944 22.746 29.044 1.00 0.00 C ATOM 186 C LEU A 12 40.752 21.867 28.075 1.00 0.00 C ATOM 187 O LEU A 12 41.891 22.198 27.744 1.00 0.00 O ATOM 188 CB LEU A 12 40.300 22.423 30.513 1.00 0.00 C ATOM 189 CG LEU A 12 40.163 23.574 31.529 1.00 0.00 C ATOM 190 CD1 LEU A 12 41.183 24.683 31.273 1.00 0.00 C ATOM 191 CD2 LEU A 12 38.762 24.189 31.558 1.00 0.00 C ATOM 0 H LEU A 12 38.025 22.195 29.666 1.00 0.00 H new ATOM 0 HA LEU A 12 40.216 23.777 28.817 1.00 0.00 H new ATOM 0 HB2 LEU A 12 39.666 21.600 30.844 1.00 0.00 H new ATOM 0 HB3 LEU A 12 41.329 22.064 30.543 1.00 0.00 H new ATOM 0 HG LEU A 12 40.354 23.116 32.500 1.00 0.00 H new ATOM 0 HD11 LEU A 12 41.052 25.475 32.011 1.00 0.00 H new ATOM 0 HD12 LEU A 12 42.191 24.276 31.352 1.00 0.00 H new ATOM 0 HD13 LEU A 12 41.034 25.091 30.273 1.00 0.00 H new ATOM 0 HD21 LEU A 12 38.733 24.993 32.293 1.00 0.00 H new ATOM 0 HD22 LEU A 12 38.520 24.589 30.573 1.00 0.00 H new ATOM 0 HD23 LEU A 12 38.034 23.424 31.828 1.00 0.00 H new ATOM 203 N LYS A 13 40.155 20.789 27.553 1.00 0.00 N ATOM 204 CA LYS A 13 40.692 19.925 26.485 1.00 0.00 C ATOM 205 C LYS A 13 40.673 20.583 25.088 1.00 0.00 C ATOM 206 O LYS A 13 41.070 19.962 24.105 1.00 0.00 O ATOM 207 CB LYS A 13 39.898 18.606 26.539 1.00 0.00 C ATOM 208 CG LYS A 13 40.554 17.417 25.829 1.00 0.00 C ATOM 209 CD LYS A 13 39.733 16.140 26.046 1.00 0.00 C ATOM 210 CE LYS A 13 40.430 14.909 25.465 1.00 0.00 C ATOM 211 NZ LYS A 13 40.516 14.960 23.989 1.00 0.00 N ATOM 0 H LYS A 13 39.240 20.477 27.877 1.00 0.00 H new ATOM 0 HA LYS A 13 41.752 19.740 26.658 1.00 0.00 H new ATOM 0 HB2 LYS A 13 39.737 18.340 27.584 1.00 0.00 H new ATOM 0 HB3 LYS A 13 38.915 18.774 26.098 1.00 0.00 H new ATOM 0 HG2 LYS A 13 40.639 17.625 24.762 1.00 0.00 H new ATOM 0 HG3 LYS A 13 41.566 17.274 26.207 1.00 0.00 H new ATOM 0 HD2 LYS A 13 39.566 15.993 27.113 1.00 0.00 H new ATOM 0 HD3 LYS A 13 38.753 16.255 25.583 1.00 0.00 H new ATOM 0 HE2 LYS A 13 41.434 14.831 25.883 1.00 0.00 H new ATOM 0 HE3 LYS A 13 39.889 14.012 25.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 40.965 14.090 23.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 39.560 15.043 23.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 41.084 15.783 23.703 1.00 0.00 H new ATOM 225 N ASN A 14 40.196 21.829 24.973 1.00 0.00 N ATOM 226 CA ASN A 14 40.066 22.569 23.710 1.00 0.00 C ATOM 227 C ASN A 14 39.308 21.759 22.635 1.00 0.00 C ATOM 228 O ASN A 14 39.821 21.468 21.551 1.00 0.00 O ATOM 229 CB ASN A 14 41.449 23.087 23.283 1.00 0.00 C ATOM 230 CG ASN A 14 41.427 23.963 22.046 1.00 0.00 C ATOM 231 OD1 ASN A 14 40.405 24.491 21.624 1.00 0.00 O ATOM 232 ND2 ASN A 14 42.568 24.157 21.436 1.00 0.00 N ATOM 0 H ASN A 14 39.880 22.367 25.780 1.00 0.00 H new ATOM 0 HA ASN A 14 39.435 23.446 23.855 1.00 0.00 H new ATOM 0 HB2 ASN A 14 41.884 23.652 24.107 1.00 0.00 H new ATOM 0 HB3 ASN A 14 42.104 22.235 23.100 1.00 0.00 H new ATOM 0 HD21 ASN A 14 42.609 24.749 20.607 1.00 0.00 H new ATOM 0 HD22 ASN A 14 43.417 23.716 21.790 1.00 0.00 H new ATOM 239 N VAL A 15 38.085 21.350 22.984 1.00 0.00 N ATOM 240 CA VAL A 15 37.201 20.523 22.147 1.00 0.00 C ATOM 241 C VAL A 15 36.911 21.190 20.794 1.00 0.00 C ATOM 242 O VAL A 15 36.787 22.413 20.724 1.00 0.00 O ATOM 243 CB VAL A 15 35.904 20.170 22.908 1.00 0.00 C ATOM 244 CG1 VAL A 15 36.220 19.348 24.165 1.00 0.00 C ATOM 245 CG2 VAL A 15 35.071 21.392 23.316 1.00 0.00 C ATOM 0 H VAL A 15 37.667 21.591 23.883 1.00 0.00 H new ATOM 0 HA VAL A 15 37.721 19.590 21.928 1.00 0.00 H new ATOM 0 HB VAL A 15 35.307 19.589 22.205 1.00 0.00 H new ATOM 0 HG11 VAL A 15 35.293 19.110 24.687 1.00 0.00 H new ATOM 0 HG12 VAL A 15 36.723 18.424 23.879 1.00 0.00 H new ATOM 0 HG13 VAL A 15 36.869 19.925 24.824 1.00 0.00 H new ATOM 0 HG21 VAL A 15 34.177 21.063 23.845 1.00 0.00 H new ATOM 0 HG22 VAL A 15 35.663 22.034 23.968 1.00 0.00 H new ATOM 0 HG23 VAL A 15 34.781 21.948 22.425 1.00 0.00 H new ATOM 255 N SER A 16 36.850 20.420 19.704 1.00 0.00 N ATOM 256 CA SER A 16 36.649 20.954 18.346 1.00 0.00 C ATOM 257 C SER A 16 35.185 21.307 18.041 1.00 0.00 C ATOM 258 O SER A 16 34.284 20.993 18.822 1.00 0.00 O ATOM 259 CB SER A 16 37.180 19.957 17.317 1.00 0.00 C ATOM 260 OG SER A 16 37.403 20.619 16.090 1.00 0.00 O ATOM 0 H SER A 16 36.939 19.404 19.734 1.00 0.00 H new ATOM 0 HA SER A 16 37.207 21.888 18.286 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.107 19.509 17.674 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.466 19.145 17.180 1.00 0.00 H new ATOM 0 HG SER A 16 37.745 19.980 15.431 1.00 0.00 H new ATOM 266 N LYS A 17 34.933 21.908 16.868 1.00 0.00 N ATOM 267 CA LYS A 17 33.598 22.288 16.368 1.00 0.00 C ATOM 268 C LYS A 17 32.599 21.129 16.429 1.00 0.00 C ATOM 269 O LYS A 17 31.496 21.283 16.946 1.00 0.00 O ATOM 270 CB LYS A 17 33.743 22.816 14.929 1.00 0.00 C ATOM 271 CG LYS A 17 32.430 23.399 14.377 1.00 0.00 C ATOM 272 CD LYS A 17 32.620 24.320 13.159 1.00 0.00 C ATOM 273 CE LYS A 17 33.480 23.746 12.024 1.00 0.00 C ATOM 274 NZ LYS A 17 32.892 22.548 11.389 1.00 0.00 N ATOM 0 H LYS A 17 35.679 22.153 16.216 1.00 0.00 H new ATOM 0 HA LYS A 17 33.195 23.068 17.014 1.00 0.00 H new ATOM 0 HB2 LYS A 17 34.516 23.584 14.904 1.00 0.00 H new ATOM 0 HB3 LYS A 17 34.077 22.006 14.281 1.00 0.00 H new ATOM 0 HG2 LYS A 17 31.768 22.579 14.100 1.00 0.00 H new ATOM 0 HG3 LYS A 17 31.931 23.958 15.169 1.00 0.00 H new ATOM 0 HD2 LYS A 17 31.638 24.569 12.757 1.00 0.00 H new ATOM 0 HD3 LYS A 17 33.072 25.253 13.498 1.00 0.00 H new ATOM 0 HE2 LYS A 17 33.627 24.515 11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 17 34.465 23.493 12.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 33.487 22.252 10.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 32.839 21.777 12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 31.936 22.771 11.045 1.00 0.00 H new ATOM 288 N GLU A 18 33.012 19.951 15.972 1.00 0.00 N ATOM 289 CA GLU A 18 32.200 18.730 16.013 1.00 0.00 C ATOM 290 C GLU A 18 32.100 18.127 17.423 1.00 0.00 C ATOM 291 O GLU A 18 31.125 17.445 17.712 1.00 0.00 O ATOM 292 CB GLU A 18 32.794 17.683 15.061 1.00 0.00 C ATOM 293 CG GLU A 18 32.593 17.964 13.569 1.00 0.00 C ATOM 294 CD GLU A 18 33.200 19.291 13.111 1.00 0.00 C ATOM 295 OE1 GLU A 18 34.408 19.523 13.352 1.00 0.00 O ATOM 296 OE2 GLU A 18 32.448 20.115 12.538 1.00 0.00 O ATOM 0 H GLU A 18 33.933 19.811 15.556 1.00 0.00 H new ATOM 0 HA GLU A 18 31.193 19.009 15.703 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.863 17.603 15.258 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.353 16.714 15.294 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.036 17.152 12.992 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.526 17.966 13.348 1.00 0.00 H new ATOM 303 N ASP A 19 33.051 18.388 18.323 1.00 0.00 N ATOM 304 CA ASP A 19 33.049 17.826 19.683 1.00 0.00 C ATOM 305 C ASP A 19 32.106 18.581 20.620 1.00 0.00 C ATOM 306 O ASP A 19 31.387 17.962 21.402 1.00 0.00 O ATOM 307 CB ASP A 19 34.462 17.838 20.265 1.00 0.00 C ATOM 308 CG ASP A 19 35.433 16.957 19.499 1.00 0.00 C ATOM 309 OD1 ASP A 19 35.080 15.794 19.206 1.00 0.00 O ATOM 310 OD2 ASP A 19 36.557 17.428 19.211 1.00 0.00 O ATOM 0 H ASP A 19 33.848 18.996 18.132 1.00 0.00 H new ATOM 0 HA ASP A 19 32.690 16.800 19.602 1.00 0.00 H new ATOM 0 HB2 ASP A 19 34.837 18.861 20.270 1.00 0.00 H new ATOM 0 HB3 ASP A 19 34.423 17.507 21.303 1.00 0.00 H new ATOM 315 N LEU A 20 32.056 19.912 20.521 1.00 0.00 N ATOM 316 CA LEU A 20 31.010 20.707 21.174 1.00 0.00 C ATOM 317 C LEU A 20 29.656 20.521 20.473 1.00 0.00 C ATOM 318 O LEU A 20 28.621 20.460 21.138 1.00 0.00 O ATOM 319 CB LEU A 20 31.458 22.176 21.303 1.00 0.00 C ATOM 320 CG LEU A 20 31.754 22.899 19.973 1.00 0.00 C ATOM 321 CD1 LEU A 20 30.549 23.662 19.417 1.00 0.00 C ATOM 322 CD2 LEU A 20 32.900 23.887 20.164 1.00 0.00 C ATOM 0 H LEU A 20 32.731 20.465 19.992 1.00 0.00 H new ATOM 0 HA LEU A 20 30.858 20.346 22.191 1.00 0.00 H new ATOM 0 HB2 LEU A 20 30.682 22.729 21.832 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.354 22.211 21.923 1.00 0.00 H new ATOM 0 HG LEU A 20 32.015 22.121 19.256 1.00 0.00 H new ATOM 0 HD11 LEU A 20 30.826 24.147 18.481 1.00 0.00 H new ATOM 0 HD12 LEU A 20 29.729 22.966 19.237 1.00 0.00 H new ATOM 0 HD13 LEU A 20 30.232 24.417 20.137 1.00 0.00 H new ATOM 0 HD21 LEU A 20 33.104 24.394 19.221 1.00 0.00 H new ATOM 0 HD22 LEU A 20 32.624 24.623 20.919 1.00 0.00 H new ATOM 0 HD23 LEU A 20 33.792 23.351 20.488 1.00 0.00 H new ATOM 334 N PHE A 21 29.626 20.352 19.146 1.00 0.00 N ATOM 335 CA PHE A 21 28.352 20.172 18.454 1.00 0.00 C ATOM 336 C PHE A 21 27.746 18.780 18.663 1.00 0.00 C ATOM 337 O PHE A 21 26.535 18.698 18.848 1.00 0.00 O ATOM 338 CB PHE A 21 28.455 20.545 16.972 1.00 0.00 C ATOM 339 CG PHE A 21 27.130 20.510 16.229 1.00 0.00 C ATOM 340 CD1 PHE A 21 25.969 21.088 16.788 1.00 0.00 C ATOM 341 CD2 PHE A 21 27.052 19.900 14.963 1.00 0.00 C ATOM 342 CE1 PHE A 21 24.753 21.067 16.085 1.00 0.00 C ATOM 343 CE2 PHE A 21 25.833 19.877 14.265 1.00 0.00 C ATOM 344 CZ PHE A 21 24.688 20.468 14.821 1.00 0.00 C ATOM 0 H PHE A 21 30.450 20.337 18.545 1.00 0.00 H new ATOM 0 HA PHE A 21 27.652 20.869 18.914 1.00 0.00 H new ATOM 0 HB2 PHE A 21 28.879 21.546 16.889 1.00 0.00 H new ATOM 0 HB3 PHE A 21 29.151 19.862 16.484 1.00 0.00 H new ATOM 0 HD1 PHE A 21 26.016 21.550 17.763 1.00 0.00 H new ATOM 0 HD2 PHE A 21 27.931 19.449 14.527 1.00 0.00 H new ATOM 0 HE1 PHE A 21 23.870 21.512 16.519 1.00 0.00 H new ATOM 0 HE2 PHE A 21 25.777 19.402 13.296 1.00 0.00 H new ATOM 0 HZ PHE A 21 23.757 20.461 14.274 1.00 0.00 H new ATOM 354 N ARG A 22 28.522 17.688 18.716 1.00 0.00 N ATOM 355 CA ARG A 22 27.972 16.334 18.935 1.00 0.00 C ATOM 356 C ARG A 22 27.351 16.154 20.320 1.00 0.00 C ATOM 357 O ARG A 22 26.445 15.330 20.459 1.00 0.00 O ATOM 358 CB ARG A 22 29.030 15.254 18.649 1.00 0.00 C ATOM 359 CG ARG A 22 30.066 15.081 19.777 1.00 0.00 C ATOM 360 CD ARG A 22 31.313 14.288 19.368 1.00 0.00 C ATOM 361 NE ARG A 22 30.964 13.022 18.699 1.00 0.00 N ATOM 362 CZ ARG A 22 30.945 12.814 17.396 1.00 0.00 C ATOM 363 NH1 ARG A 22 31.420 13.675 16.542 1.00 0.00 N ATOM 364 NH2 ARG A 22 30.406 11.733 16.921 1.00 0.00 N ATOM 0 H ARG A 22 29.536 17.712 18.610 1.00 0.00 H new ATOM 0 HA ARG A 22 27.157 16.214 18.221 1.00 0.00 H new ATOM 0 HB2 ARG A 22 28.527 14.302 18.482 1.00 0.00 H new ATOM 0 HB3 ARG A 22 29.551 15.506 17.725 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.374 16.066 20.126 1.00 0.00 H new ATOM 0 HG3 ARG A 22 29.590 14.579 20.619 1.00 0.00 H new ATOM 0 HD2 ARG A 22 31.926 14.894 18.701 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.916 14.078 20.252 1.00 0.00 H new ATOM 0 HE ARG A 22 30.714 12.235 19.298 1.00 0.00 H new ATOM 0 HH11 ARG A 22 31.827 14.550 16.873 1.00 0.00 H new ATOM 0 HH12 ARG A 22 31.385 13.474 15.543 1.00 0.00 H new ATOM 0 HH21 ARG A 22 29.998 11.046 17.555 1.00 0.00 H new ATOM 0 HH22 ARG A 22 30.391 11.571 15.914 1.00 0.00 H new ATOM 378 N ILE A 23 27.812 16.921 21.312 1.00 0.00 N ATOM 379 CA ILE A 23 27.276 16.908 22.680 1.00 0.00 C ATOM 380 C ILE A 23 26.121 17.903 22.855 1.00 0.00 C ATOM 381 O ILE A 23 25.132 17.535 23.474 1.00 0.00 O ATOM 382 CB ILE A 23 28.396 17.005 23.748 1.00 0.00 C ATOM 383 CG1 ILE A 23 29.236 18.297 23.741 1.00 0.00 C ATOM 384 CG2 ILE A 23 29.365 15.825 23.571 1.00 0.00 C ATOM 385 CD1 ILE A 23 28.680 19.408 24.622 1.00 0.00 C ATOM 0 H ILE A 23 28.581 17.580 21.187 1.00 0.00 H new ATOM 0 HA ILE A 23 26.823 15.932 22.854 1.00 0.00 H new ATOM 0 HB ILE A 23 27.863 16.995 24.699 1.00 0.00 H new ATOM 0 HG12 ILE A 23 30.248 18.061 24.069 1.00 0.00 H new ATOM 0 HG13 ILE A 23 29.310 18.663 22.717 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.155 15.888 24.319 1.00 0.00 H new ATOM 0 HG22 ILE A 23 28.823 14.887 23.693 1.00 0.00 H new ATOM 0 HG23 ILE A 23 29.805 15.862 22.575 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.330 20.281 24.560 1.00 0.00 H new ATOM 0 HD12 ILE A 23 27.680 19.676 24.282 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.632 19.064 25.655 1.00 0.00 H new ATOM 397 N PHE A 24 26.150 19.096 22.241 1.00 0.00 N ATOM 398 CA PHE A 24 25.031 20.056 22.330 1.00 0.00 C ATOM 399 C PHE A 24 23.919 19.861 21.275 1.00 0.00 C ATOM 400 O PHE A 24 22.822 20.385 21.458 1.00 0.00 O ATOM 401 CB PHE A 24 25.554 21.502 22.337 1.00 0.00 C ATOM 402 CG PHE A 24 26.400 21.906 23.540 1.00 0.00 C ATOM 403 CD1 PHE A 24 25.933 21.697 24.855 1.00 0.00 C ATOM 404 CD2 PHE A 24 27.656 22.519 23.349 1.00 0.00 C ATOM 405 CE1 PHE A 24 26.707 22.105 25.958 1.00 0.00 C ATOM 406 CE2 PHE A 24 28.439 22.896 24.455 1.00 0.00 C ATOM 407 CZ PHE A 24 27.961 22.701 25.760 1.00 0.00 C ATOM 0 H PHE A 24 26.935 19.422 21.677 1.00 0.00 H new ATOM 0 HA PHE A 24 24.544 19.844 23.282 1.00 0.00 H new ATOM 0 HB2 PHE A 24 26.146 21.657 21.435 1.00 0.00 H new ATOM 0 HB3 PHE A 24 24.699 22.176 22.277 1.00 0.00 H new ATOM 0 HD1 PHE A 24 24.977 21.222 25.016 1.00 0.00 H new ATOM 0 HD2 PHE A 24 28.018 22.700 22.348 1.00 0.00 H new ATOM 0 HE1 PHE A 24 26.334 21.958 26.961 1.00 0.00 H new ATOM 0 HE2 PHE A 24 29.412 23.337 24.299 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.556 23.008 26.607 1.00 0.00 H new ATOM 417 N SER A 25 24.146 19.090 20.203 1.00 0.00 N ATOM 418 CA SER A 25 23.151 18.783 19.149 1.00 0.00 C ATOM 419 C SER A 25 21.776 18.347 19.687 1.00 0.00 C ATOM 420 O SER A 25 20.775 18.934 19.276 1.00 0.00 O ATOM 421 CB SER A 25 23.656 17.683 18.202 1.00 0.00 C ATOM 422 OG SER A 25 24.532 18.178 17.215 1.00 0.00 O ATOM 0 H SER A 25 25.049 18.647 20.034 1.00 0.00 H new ATOM 0 HA SER A 25 23.023 19.727 18.619 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.166 16.915 18.783 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.804 17.205 17.719 1.00 0.00 H new ATOM 0 HG SER A 25 25.263 18.671 17.644 1.00 0.00 H new ATOM 428 N PRO A 26 21.671 17.373 20.616 1.00 0.00 N ATOM 429 CA PRO A 26 20.378 16.967 21.170 1.00 0.00 C ATOM 430 C PRO A 26 19.769 17.952 22.185 1.00 0.00 C ATOM 431 O PRO A 26 18.748 17.617 22.783 1.00 0.00 O ATOM 432 CB PRO A 26 20.612 15.573 21.759 1.00 0.00 C ATOM 433 CG PRO A 26 22.092 15.558 22.118 1.00 0.00 C ATOM 434 CD PRO A 26 22.717 16.450 21.053 1.00 0.00 C ATOM 0 HA PRO A 26 19.622 16.959 20.385 1.00 0.00 H new ATOM 0 HB2 PRO A 26 19.988 15.402 22.637 1.00 0.00 H new ATOM 0 HB3 PRO A 26 20.370 14.791 21.039 1.00 0.00 H new ATOM 0 HG2 PRO A 26 22.267 15.946 23.122 1.00 0.00 H new ATOM 0 HG3 PRO A 26 22.503 14.549 22.090 1.00 0.00 H new ATOM 0 HD2 PRO A 26 23.571 16.995 21.456 1.00 0.00 H new ATOM 0 HD3 PRO A 26 23.084 15.856 20.216 1.00 0.00 H new ATOM 442 N TYR A 27 20.363 19.132 22.400 1.00 0.00 N ATOM 443 CA TYR A 27 19.906 20.141 23.369 1.00 0.00 C ATOM 444 C TYR A 27 19.601 21.516 22.748 1.00 0.00 C ATOM 445 O TYR A 27 18.846 22.288 23.340 1.00 0.00 O ATOM 446 CB TYR A 27 20.964 20.313 24.463 1.00 0.00 C ATOM 447 CG TYR A 27 21.328 19.065 25.244 1.00 0.00 C ATOM 448 CD1 TYR A 27 22.359 18.226 24.787 1.00 0.00 C ATOM 449 CD2 TYR A 27 20.673 18.768 26.452 1.00 0.00 C ATOM 450 CE1 TYR A 27 22.754 17.106 25.540 1.00 0.00 C ATOM 451 CE2 TYR A 27 21.065 17.649 27.211 1.00 0.00 C ATOM 452 CZ TYR A 27 22.118 16.823 26.764 1.00 0.00 C ATOM 453 OH TYR A 27 22.480 15.727 27.480 1.00 0.00 O ATOM 0 H TYR A 27 21.198 19.421 21.891 1.00 0.00 H new ATOM 0 HA TYR A 27 18.966 19.767 23.776 1.00 0.00 H new ATOM 0 HB2 TYR A 27 21.871 20.707 24.004 1.00 0.00 H new ATOM 0 HB3 TYR A 27 20.610 21.067 25.167 1.00 0.00 H new ATOM 0 HD1 TYR A 27 22.851 18.443 23.851 1.00 0.00 H new ATOM 0 HD2 TYR A 27 19.868 19.399 26.798 1.00 0.00 H new ATOM 0 HE1 TYR A 27 23.544 16.464 25.180 1.00 0.00 H new ATOM 0 HE2 TYR A 27 20.559 17.422 28.138 1.00 0.00 H new ATOM 0 HH TYR A 27 21.944 15.680 28.299 1.00 0.00 H new ATOM 463 N GLY A 28 20.159 21.843 21.576 1.00 0.00 N ATOM 464 CA GLY A 28 20.001 23.163 20.957 1.00 0.00 C ATOM 465 C GLY A 28 20.248 23.203 19.445 1.00 0.00 C ATOM 466 O GLY A 28 20.297 22.164 18.791 1.00 0.00 O ATOM 0 H GLY A 28 20.733 21.199 21.031 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.991 23.522 21.155 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.687 23.859 21.441 1.00 0.00 H new ATOM 470 N HIS A 29 20.337 24.408 18.871 1.00 0.00 N ATOM 471 CA HIS A 29 20.332 24.627 17.409 1.00 0.00 C ATOM 472 C HIS A 29 21.658 25.137 16.812 1.00 0.00 C ATOM 473 O HIS A 29 21.846 24.956 15.614 1.00 0.00 O ATOM 474 CB HIS A 29 19.156 25.542 17.031 1.00 0.00 C ATOM 475 CG HIS A 29 17.797 24.998 17.394 1.00 0.00 C ATOM 476 ND1 HIS A 29 17.103 25.297 18.566 1.00 0.00 N ATOM 477 CD2 HIS A 29 17.033 24.154 16.642 1.00 0.00 C ATOM 478 CE1 HIS A 29 15.944 24.621 18.508 1.00 0.00 C ATOM 479 NE2 HIS A 29 15.877 23.927 17.361 1.00 0.00 N ATOM 0 H HIS A 29 20.416 25.271 19.409 1.00 0.00 H new ATOM 0 HA HIS A 29 20.207 23.642 16.959 1.00 0.00 H new ATOM 0 HB2 HIS A 29 19.290 26.506 17.522 1.00 0.00 H new ATOM 0 HB3 HIS A 29 19.185 25.724 15.957 1.00 0.00 H new ATOM 0 HD2 HIS A 29 17.283 23.744 15.675 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.180 24.634 19.271 1.00 0.00 H new ATOM 0 HE2 HIS A 29 15.102 23.332 17.070 1.00 0.00 H new ATOM 487 N ILE A 30 22.588 25.676 17.619 1.00 0.00 N ATOM 488 CA ILE A 30 23.983 26.057 17.260 1.00 0.00 C ATOM 489 C ILE A 30 24.155 27.111 16.131 1.00 0.00 C ATOM 490 O ILE A 30 23.284 27.302 15.284 1.00 0.00 O ATOM 491 CB ILE A 30 24.849 24.778 17.058 1.00 0.00 C ATOM 492 CG1 ILE A 30 26.099 24.717 17.968 1.00 0.00 C ATOM 493 CG2 ILE A 30 25.217 24.490 15.590 1.00 0.00 C ATOM 494 CD1 ILE A 30 27.250 25.684 17.662 1.00 0.00 C ATOM 0 H ILE A 30 22.384 25.873 18.599 1.00 0.00 H new ATOM 0 HA ILE A 30 24.359 26.613 18.119 1.00 0.00 H new ATOM 0 HB ILE A 30 24.185 23.974 17.376 1.00 0.00 H new ATOM 0 HG12 ILE A 30 25.776 24.893 18.994 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.494 23.702 17.928 1.00 0.00 H new ATOM 0 HG21 ILE A 30 25.820 23.583 15.537 1.00 0.00 H new ATOM 0 HG22 ILE A 30 24.306 24.355 15.006 1.00 0.00 H new ATOM 0 HG23 ILE A 30 25.786 25.328 15.186 1.00 0.00 H new ATOM 0 HD11 ILE A 30 28.056 25.528 18.379 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.621 25.501 16.654 1.00 0.00 H new ATOM 0 HD13 ILE A 30 26.892 26.711 17.736 1.00 0.00 H new ATOM 506 N MET A 31 25.305 27.801 16.118 1.00 0.00 N ATOM 507 CA MET A 31 25.786 28.638 15.005 1.00 0.00 C ATOM 508 C MET A 31 27.293 28.473 14.748 1.00 0.00 C ATOM 509 O MET A 31 27.673 27.966 13.690 1.00 0.00 O ATOM 510 CB MET A 31 25.443 30.125 15.227 1.00 0.00 C ATOM 511 CG MET A 31 24.088 30.551 14.659 1.00 0.00 C ATOM 512 SD MET A 31 24.094 30.794 12.863 1.00 0.00 S ATOM 513 CE MET A 31 23.423 29.228 12.263 1.00 0.00 C ATOM 0 H MET A 31 25.949 27.792 16.909 1.00 0.00 H new ATOM 0 HA MET A 31 25.262 28.287 14.116 1.00 0.00 H new ATOM 0 HB2 MET A 31 25.457 30.333 16.297 1.00 0.00 H new ATOM 0 HB3 MET A 31 26.222 30.737 14.773 1.00 0.00 H new ATOM 0 HG2 MET A 31 23.344 29.795 14.912 1.00 0.00 H new ATOM 0 HG3 MET A 31 23.777 31.478 15.141 1.00 0.00 H new ATOM 0 HE1 MET A 31 22.857 29.401 11.347 1.00 0.00 H new ATOM 0 HE2 MET A 31 24.240 28.536 12.059 1.00 0.00 H new ATOM 0 HE3 MET A 31 22.766 28.800 13.020 1.00 0.00 H new ATOM 523 N GLN A 32 28.141 28.911 15.689 1.00 0.00 N ATOM 524 CA GLN A 32 29.580 29.153 15.494 1.00 0.00 C ATOM 525 C GLN A 32 30.367 29.054 16.818 1.00 0.00 C ATOM 526 O GLN A 32 29.770 28.924 17.879 1.00 0.00 O ATOM 527 CB GLN A 32 29.731 30.548 14.845 1.00 0.00 C ATOM 528 CG GLN A 32 31.088 30.814 14.185 1.00 0.00 C ATOM 529 CD GLN A 32 31.513 29.662 13.291 1.00 0.00 C ATOM 530 OE1 GLN A 32 32.422 28.917 13.627 1.00 0.00 O ATOM 531 NE2 GLN A 32 30.829 29.414 12.199 1.00 0.00 N ATOM 0 H GLN A 32 27.835 29.114 16.640 1.00 0.00 H new ATOM 0 HA GLN A 32 30.001 28.386 14.844 1.00 0.00 H new ATOM 0 HB2 GLN A 32 28.950 30.669 14.095 1.00 0.00 H new ATOM 0 HB3 GLN A 32 29.561 31.307 15.608 1.00 0.00 H new ATOM 0 HG2 GLN A 32 31.033 31.730 13.597 1.00 0.00 H new ATOM 0 HG3 GLN A 32 31.842 30.974 14.955 1.00 0.00 H new ATOM 0 HE21 GLN A 32 30.071 30.036 11.920 1.00 0.00 H new ATOM 0 HE22 GLN A 32 31.056 28.599 11.629 1.00 0.00 H new ATOM 540 N ILE A 33 31.703 29.100 16.791 1.00 0.00 N ATOM 541 CA ILE A 33 32.562 28.781 17.955 1.00 0.00 C ATOM 542 C ILE A 33 33.628 29.857 18.228 1.00 0.00 C ATOM 543 O ILE A 33 33.988 30.610 17.320 1.00 0.00 O ATOM 544 CB ILE A 33 33.207 27.388 17.753 1.00 0.00 C ATOM 545 CG1 ILE A 33 34.328 27.448 16.689 1.00 0.00 C ATOM 546 CG2 ILE A 33 32.129 26.341 17.396 1.00 0.00 C ATOM 547 CD1 ILE A 33 34.912 26.093 16.306 1.00 0.00 C ATOM 0 H ILE A 33 32.231 29.361 15.958 1.00 0.00 H new ATOM 0 HA ILE A 33 31.927 28.763 18.841 1.00 0.00 H new ATOM 0 HB ILE A 33 33.670 27.078 18.690 1.00 0.00 H new ATOM 0 HG12 ILE A 33 33.934 27.926 15.792 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.132 28.083 17.062 1.00 0.00 H new ATOM 0 HG21 ILE A 33 32.599 25.367 17.257 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.400 26.280 18.204 1.00 0.00 H new ATOM 0 HG23 ILE A 33 31.627 26.636 16.475 1.00 0.00 H new ATOM 0 HD11 ILE A 33 35.690 26.231 15.555 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.340 25.618 17.189 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.124 25.459 15.899 1.00 0.00 H new ATOM 559 N ASN A 34 34.183 29.895 19.442 1.00 0.00 N ATOM 560 CA ASN A 34 35.487 30.496 19.757 1.00 0.00 C ATOM 561 C ASN A 34 36.041 29.896 21.066 1.00 0.00 C ATOM 562 O ASN A 34 35.461 30.084 22.133 1.00 0.00 O ATOM 563 CB ASN A 34 35.340 32.024 19.876 1.00 0.00 C ATOM 564 CG ASN A 34 36.665 32.750 20.006 1.00 0.00 C ATOM 565 OD1 ASN A 34 37.742 32.172 19.985 1.00 0.00 O ATOM 566 ND2 ASN A 34 36.618 34.051 20.127 1.00 0.00 N ATOM 0 H ASN A 34 33.724 29.496 20.261 1.00 0.00 H new ATOM 0 HA ASN A 34 36.191 30.276 18.954 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.813 32.400 18.999 1.00 0.00 H new ATOM 0 HB3 ASN A 34 34.721 32.255 20.743 1.00 0.00 H new ATOM 0 HD21 ASN A 34 37.482 34.588 20.204 1.00 0.00 H new ATOM 0 HD22 ASN A 34 35.717 34.529 20.144 1.00 0.00 H new ATOM 573 N ILE A 35 37.156 29.165 21.019 1.00 0.00 N ATOM 574 CA ILE A 35 37.724 28.485 22.194 1.00 0.00 C ATOM 575 C ILE A 35 39.196 28.866 22.321 1.00 0.00 C ATOM 576 O ILE A 35 40.000 28.541 21.447 1.00 0.00 O ATOM 577 CB ILE A 35 37.482 26.959 22.112 1.00 0.00 C ATOM 578 CG1 ILE A 35 35.962 26.674 22.160 1.00 0.00 C ATOM 579 CG2 ILE A 35 38.191 26.231 23.268 1.00 0.00 C ATOM 580 CD1 ILE A 35 35.576 25.201 22.036 1.00 0.00 C ATOM 0 H ILE A 35 37.695 29.025 20.165 1.00 0.00 H new ATOM 0 HA ILE A 35 37.223 28.811 23.106 1.00 0.00 H new ATOM 0 HB ILE A 35 37.893 26.589 21.173 1.00 0.00 H new ATOM 0 HG12 ILE A 35 35.565 27.060 23.099 1.00 0.00 H new ATOM 0 HG13 ILE A 35 35.478 27.230 21.357 1.00 0.00 H new ATOM 0 HG21 ILE A 35 38.007 25.159 23.190 1.00 0.00 H new ATOM 0 HG22 ILE A 35 39.263 26.420 23.214 1.00 0.00 H new ATOM 0 HG23 ILE A 35 37.805 26.597 24.220 1.00 0.00 H new ATOM 0 HD11 ILE A 35 34.491 25.104 22.081 1.00 0.00 H new ATOM 0 HD12 ILE A 35 35.936 24.809 21.085 1.00 0.00 H new ATOM 0 HD13 ILE A 35 36.025 24.637 22.854 1.00 0.00 H new ATOM 592 N LYS A 36 39.540 29.560 23.408 1.00 0.00 N ATOM 593 CA LYS A 36 40.877 30.094 23.694 1.00 0.00 C ATOM 594 C LYS A 36 41.089 30.258 25.199 1.00 0.00 C ATOM 595 O LYS A 36 40.121 30.306 25.958 1.00 0.00 O ATOM 596 CB LYS A 36 41.084 31.413 22.926 1.00 0.00 C ATOM 597 CG LYS A 36 40.167 32.562 23.369 1.00 0.00 C ATOM 598 CD LYS A 36 40.347 33.765 22.435 1.00 0.00 C ATOM 599 CE LYS A 36 39.611 34.980 23.001 1.00 0.00 C ATOM 600 NZ LYS A 36 39.833 36.177 22.163 1.00 0.00 N ATOM 0 H LYS A 36 38.868 29.775 24.145 1.00 0.00 H new ATOM 0 HA LYS A 36 41.630 29.385 23.350 1.00 0.00 H new ATOM 0 HB2 LYS A 36 42.121 31.727 23.043 1.00 0.00 H new ATOM 0 HB3 LYS A 36 40.925 31.228 21.864 1.00 0.00 H new ATOM 0 HG2 LYS A 36 39.128 32.234 23.357 1.00 0.00 H new ATOM 0 HG3 LYS A 36 40.399 32.849 24.395 1.00 0.00 H new ATOM 0 HD2 LYS A 36 41.407 33.992 22.321 1.00 0.00 H new ATOM 0 HD3 LYS A 36 39.963 33.527 21.443 1.00 0.00 H new ATOM 0 HE2 LYS A 36 38.544 34.767 23.060 1.00 0.00 H new ATOM 0 HE3 LYS A 36 39.954 35.175 24.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 39.322 36.986 22.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 40.850 36.392 22.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 39.484 35.996 21.200 1.00 0.00 H new ATOM 614 N ASN A 37 42.351 30.343 25.622 1.00 0.00 N ATOM 615 CA ASN A 37 42.759 30.391 27.029 1.00 0.00 C ATOM 616 C ASN A 37 42.094 29.243 27.839 1.00 0.00 C ATOM 617 O ASN A 37 41.876 28.159 27.290 1.00 0.00 O ATOM 618 CB ASN A 37 42.533 31.838 27.524 1.00 0.00 C ATOM 619 CG ASN A 37 43.251 32.180 28.814 1.00 0.00 C ATOM 620 OD1 ASN A 37 43.879 31.347 29.449 1.00 0.00 O ATOM 621 ND2 ASN A 37 43.154 33.403 29.265 1.00 0.00 N ATOM 0 H ASN A 37 43.141 30.382 24.978 1.00 0.00 H new ATOM 0 HA ASN A 37 43.819 30.186 27.177 1.00 0.00 H new ATOM 0 HB2 ASN A 37 42.859 32.529 26.747 1.00 0.00 H new ATOM 0 HB3 ASN A 37 41.464 31.998 27.665 1.00 0.00 H new ATOM 0 HD21 ASN A 37 43.602 33.659 30.145 1.00 0.00 H new ATOM 0 HD22 ASN A 37 42.630 34.101 28.737 1.00 0.00 H new ATOM 628 N ALA A 38 41.772 29.419 29.125 1.00 0.00 N ATOM 629 CA ALA A 38 41.240 28.358 29.989 1.00 0.00 C ATOM 630 C ALA A 38 39.717 28.104 29.852 1.00 0.00 C ATOM 631 O ALA A 38 39.156 27.360 30.657 1.00 0.00 O ATOM 632 CB ALA A 38 41.651 28.669 31.434 1.00 0.00 C ATOM 0 H ALA A 38 41.875 30.315 29.602 1.00 0.00 H new ATOM 0 HA ALA A 38 41.676 27.415 29.661 1.00 0.00 H new ATOM 0 HB1 ALA A 38 41.267 27.893 32.097 1.00 0.00 H new ATOM 0 HB2 ALA A 38 42.738 28.700 31.504 1.00 0.00 H new ATOM 0 HB3 ALA A 38 41.240 29.635 31.729 1.00 0.00 H new ATOM 638 N PHE A 39 39.035 28.722 28.881 1.00 0.00 N ATOM 639 CA PHE A 39 37.569 28.722 28.751 1.00 0.00 C ATOM 640 C PHE A 39 37.092 28.219 27.373 1.00 0.00 C ATOM 641 O PHE A 39 37.891 27.774 26.544 1.00 0.00 O ATOM 642 CB PHE A 39 37.049 30.133 29.089 1.00 0.00 C ATOM 643 CG PHE A 39 37.547 31.269 28.204 1.00 0.00 C ATOM 644 CD1 PHE A 39 36.938 31.535 26.961 1.00 0.00 C ATOM 645 CD2 PHE A 39 38.599 32.096 28.646 1.00 0.00 C ATOM 646 CE1 PHE A 39 37.376 32.612 26.168 1.00 0.00 C ATOM 647 CE2 PHE A 39 39.024 33.184 27.863 1.00 0.00 C ATOM 648 CZ PHE A 39 38.421 33.437 26.619 1.00 0.00 C ATOM 0 H PHE A 39 39.498 29.251 28.142 1.00 0.00 H new ATOM 0 HA PHE A 39 37.146 28.009 29.459 1.00 0.00 H new ATOM 0 HB2 PHE A 39 35.960 30.116 29.042 1.00 0.00 H new ATOM 0 HB3 PHE A 39 37.320 30.359 30.120 1.00 0.00 H new ATOM 0 HD1 PHE A 39 36.130 30.908 26.615 1.00 0.00 H new ATOM 0 HD2 PHE A 39 39.081 31.893 29.591 1.00 0.00 H new ATOM 0 HE1 PHE A 39 36.909 32.805 25.213 1.00 0.00 H new ATOM 0 HE2 PHE A 39 39.816 33.827 28.218 1.00 0.00 H new ATOM 0 HZ PHE A 39 38.760 34.263 26.011 1.00 0.00 H new ATOM 658 N GLY A 40 35.779 28.280 27.125 1.00 0.00 N ATOM 659 CA GLY A 40 35.188 28.121 25.793 1.00 0.00 C ATOM 660 C GLY A 40 33.949 28.998 25.592 1.00 0.00 C ATOM 661 O GLY A 40 33.201 29.265 26.533 1.00 0.00 O ATOM 0 H GLY A 40 35.087 28.444 27.856 1.00 0.00 H new ATOM 0 HA2 GLY A 40 35.932 28.371 25.037 1.00 0.00 H new ATOM 0 HA3 GLY A 40 34.918 27.076 25.641 1.00 0.00 H new ATOM 665 N PHE A 41 33.743 29.460 24.360 1.00 0.00 N ATOM 666 CA PHE A 41 32.598 30.266 23.941 1.00 0.00 C ATOM 667 C PHE A 41 32.007 29.716 22.636 1.00 0.00 C ATOM 668 O PHE A 41 32.713 29.202 21.765 1.00 0.00 O ATOM 669 CB PHE A 41 33.033 31.734 23.812 1.00 0.00 C ATOM 670 CG PHE A 41 31.936 32.680 23.363 1.00 0.00 C ATOM 671 CD1 PHE A 41 30.858 32.971 24.219 1.00 0.00 C ATOM 672 CD2 PHE A 41 31.984 33.264 22.085 1.00 0.00 C ATOM 673 CE1 PHE A 41 29.839 33.841 23.800 1.00 0.00 C ATOM 674 CE2 PHE A 41 30.968 34.138 21.666 1.00 0.00 C ATOM 675 CZ PHE A 41 29.894 34.426 22.523 1.00 0.00 C ATOM 0 H PHE A 41 34.394 29.276 23.597 1.00 0.00 H new ATOM 0 HA PHE A 41 31.809 30.213 24.691 1.00 0.00 H new ATOM 0 HB2 PHE A 41 33.415 32.072 24.775 1.00 0.00 H new ATOM 0 HB3 PHE A 41 33.859 31.794 23.103 1.00 0.00 H new ATOM 0 HD1 PHE A 41 30.814 32.524 25.201 1.00 0.00 H new ATOM 0 HD2 PHE A 41 32.807 33.039 21.422 1.00 0.00 H new ATOM 0 HE1 PHE A 41 29.012 34.061 24.459 1.00 0.00 H new ATOM 0 HE2 PHE A 41 31.013 34.588 20.685 1.00 0.00 H new ATOM 0 HZ PHE A 41 29.111 35.096 22.201 1.00 0.00 H new ATOM 685 N ILE A 42 30.685 29.785 22.507 1.00 0.00 N ATOM 686 CA ILE A 42 29.934 29.214 21.393 1.00 0.00 C ATOM 687 C ILE A 42 28.787 30.166 21.054 1.00 0.00 C ATOM 688 O ILE A 42 27.951 30.492 21.893 1.00 0.00 O ATOM 689 CB ILE A 42 29.416 27.792 21.726 1.00 0.00 C ATOM 690 CG1 ILE A 42 30.480 26.868 22.371 1.00 0.00 C ATOM 691 CG2 ILE A 42 28.897 27.150 20.427 1.00 0.00 C ATOM 692 CD1 ILE A 42 29.917 25.547 22.901 1.00 0.00 C ATOM 0 H ILE A 42 30.091 30.252 23.192 1.00 0.00 H new ATOM 0 HA ILE A 42 30.587 29.104 20.527 1.00 0.00 H new ATOM 0 HB ILE A 42 28.626 27.903 22.469 1.00 0.00 H new ATOM 0 HG12 ILE A 42 31.254 26.652 21.634 1.00 0.00 H new ATOM 0 HG13 ILE A 42 30.961 27.401 23.191 1.00 0.00 H new ATOM 0 HG21 ILE A 42 28.527 26.147 20.639 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.088 27.756 20.019 1.00 0.00 H new ATOM 0 HG23 ILE A 42 29.708 27.092 19.701 1.00 0.00 H new ATOM 0 HD11 ILE A 42 30.723 24.957 23.337 1.00 0.00 H new ATOM 0 HD12 ILE A 42 29.164 25.752 23.663 1.00 0.00 H new ATOM 0 HD13 ILE A 42 29.462 24.991 22.082 1.00 0.00 H new ATOM 704 N GLN A 43 28.717 30.604 19.804 1.00 0.00 N ATOM 705 CA GLN A 43 27.557 31.313 19.279 1.00 0.00 C ATOM 706 C GLN A 43 26.528 30.284 18.800 1.00 0.00 C ATOM 707 O GLN A 43 26.852 29.256 18.207 1.00 0.00 O ATOM 708 CB GLN A 43 27.981 32.315 18.199 1.00 0.00 C ATOM 709 CG GLN A 43 28.956 33.367 18.763 1.00 0.00 C ATOM 710 CD GLN A 43 29.343 34.438 17.750 1.00 0.00 C ATOM 711 OE1 GLN A 43 29.347 34.239 16.544 1.00 0.00 O ATOM 712 NE2 GLN A 43 29.676 35.634 18.174 1.00 0.00 N ATOM 0 H GLN A 43 29.466 30.477 19.123 1.00 0.00 H new ATOM 0 HA GLN A 43 27.082 31.911 20.057 1.00 0.00 H new ATOM 0 HB2 GLN A 43 28.454 31.784 17.373 1.00 0.00 H new ATOM 0 HB3 GLN A 43 27.099 32.813 17.795 1.00 0.00 H new ATOM 0 HG2 GLN A 43 28.501 33.845 19.630 1.00 0.00 H new ATOM 0 HG3 GLN A 43 29.858 32.865 19.113 1.00 0.00 H new ATOM 0 HE21 GLN A 43 29.684 35.837 19.174 1.00 0.00 H new ATOM 0 HE22 GLN A 43 29.927 36.361 17.504 1.00 0.00 H new ATOM 721 N PHE A 44 25.263 30.547 19.075 1.00 0.00 N ATOM 722 CA PHE A 44 24.154 29.613 18.939 1.00 0.00 C ATOM 723 C PHE A 44 23.043 30.176 18.058 1.00 0.00 C ATOM 724 O PHE A 44 23.002 31.366 17.758 1.00 0.00 O ATOM 725 CB PHE A 44 23.637 29.255 20.341 1.00 0.00 C ATOM 726 CG PHE A 44 24.090 27.895 20.827 1.00 0.00 C ATOM 727 CD1 PHE A 44 25.406 27.705 21.286 1.00 0.00 C ATOM 728 CD2 PHE A 44 23.185 26.819 20.842 1.00 0.00 C ATOM 729 CE1 PHE A 44 25.807 26.443 21.752 1.00 0.00 C ATOM 730 CE2 PHE A 44 23.586 25.557 21.316 1.00 0.00 C ATOM 731 CZ PHE A 44 24.900 25.372 21.774 1.00 0.00 C ATOM 0 H PHE A 44 24.964 31.461 19.416 1.00 0.00 H new ATOM 0 HA PHE A 44 24.506 28.710 18.441 1.00 0.00 H new ATOM 0 HB2 PHE A 44 23.973 30.014 21.047 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.547 29.285 20.335 1.00 0.00 H new ATOM 0 HD1 PHE A 44 26.106 28.528 21.280 1.00 0.00 H new ATOM 0 HD2 PHE A 44 22.175 26.963 20.487 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.820 26.295 22.096 1.00 0.00 H new ATOM 0 HE2 PHE A 44 22.886 24.734 21.328 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.213 24.406 22.143 1.00 0.00 H new ATOM 741 N ASP A 45 22.102 29.312 17.707 1.00 0.00 N ATOM 742 CA ASP A 45 20.749 29.708 17.338 1.00 0.00 C ATOM 743 C ASP A 45 19.813 29.384 18.521 1.00 0.00 C ATOM 744 O ASP A 45 20.027 28.385 19.212 1.00 0.00 O ATOM 745 CB ASP A 45 20.391 29.015 16.018 1.00 0.00 C ATOM 746 CG ASP A 45 19.075 29.478 15.408 1.00 0.00 C ATOM 747 OD1 ASP A 45 18.412 30.392 15.950 1.00 0.00 O ATOM 748 OD2 ASP A 45 18.718 28.957 14.331 1.00 0.00 O ATOM 0 H ASP A 45 22.257 28.305 17.670 1.00 0.00 H new ATOM 0 HA ASP A 45 20.648 30.778 17.156 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.193 29.189 15.300 1.00 0.00 H new ATOM 0 HB3 ASP A 45 20.342 27.939 16.187 1.00 0.00 H new ATOM 753 N ASN A 46 18.812 30.239 18.742 1.00 0.00 N ATOM 754 CA ASN A 46 17.797 30.225 19.808 1.00 0.00 C ATOM 755 C ASN A 46 18.296 30.220 21.291 1.00 0.00 C ATOM 756 O ASN A 46 19.056 29.337 21.694 1.00 0.00 O ATOM 757 CB ASN A 46 16.797 29.102 19.491 1.00 0.00 C ATOM 758 CG ASN A 46 15.715 29.020 20.539 1.00 0.00 C ATOM 759 OD1 ASN A 46 15.748 28.216 21.456 1.00 0.00 O ATOM 760 ND2 ASN A 46 14.770 29.911 20.492 1.00 0.00 N ATOM 0 H ASN A 46 18.675 31.037 18.121 1.00 0.00 H new ATOM 0 HA ASN A 46 17.315 31.202 19.785 1.00 0.00 H new ATOM 0 HB2 ASN A 46 16.347 29.278 18.514 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.323 28.149 19.433 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.057 29.937 21.221 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.741 30.584 19.726 1.00 0.00 H new ATOM 767 N PRO A 47 17.823 31.143 22.162 1.00 0.00 N ATOM 768 CA PRO A 47 18.275 31.223 23.559 1.00 0.00 C ATOM 769 C PRO A 47 17.738 30.115 24.474 1.00 0.00 C ATOM 770 O PRO A 47 18.447 29.717 25.398 1.00 0.00 O ATOM 771 CB PRO A 47 17.858 32.610 24.058 1.00 0.00 C ATOM 772 CG PRO A 47 16.643 32.942 23.200 1.00 0.00 C ATOM 773 CD PRO A 47 16.973 32.289 21.860 1.00 0.00 C ATOM 0 HA PRO A 47 19.354 31.074 23.591 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.609 32.598 25.119 1.00 0.00 H new ATOM 0 HB3 PRO A 47 18.655 33.341 23.926 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.725 32.540 23.629 1.00 0.00 H new ATOM 0 HG3 PRO A 47 16.503 34.018 23.100 1.00 0.00 H new ATOM 0 HD2 PRO A 47 16.064 31.975 21.346 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.485 32.990 21.201 1.00 0.00 H new ATOM 781 N GLN A 48 16.543 29.561 24.228 1.00 0.00 N ATOM 782 CA GLN A 48 16.066 28.397 24.995 1.00 0.00 C ATOM 783 C GLN A 48 16.947 27.162 24.722 1.00 0.00 C ATOM 784 O GLN A 48 17.293 26.415 25.636 1.00 0.00 O ATOM 785 CB GLN A 48 14.586 28.113 24.720 1.00 0.00 C ATOM 786 CG GLN A 48 13.679 29.251 25.214 1.00 0.00 C ATOM 787 CD GLN A 48 12.199 28.960 24.980 1.00 0.00 C ATOM 788 OE1 GLN A 48 11.775 27.819 24.839 1.00 0.00 O ATOM 789 NE2 GLN A 48 11.360 29.966 24.915 1.00 0.00 N ATOM 0 H GLN A 48 15.895 29.893 23.514 1.00 0.00 H new ATOM 0 HA GLN A 48 16.152 28.635 26.055 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.437 27.970 23.650 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.299 27.182 25.209 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.851 29.413 26.278 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.950 30.175 24.703 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.699 30.921 25.031 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.369 29.793 24.749 1.00 0.00 H new ATOM 798 N SER A 49 17.411 27.033 23.479 1.00 0.00 N ATOM 799 CA SER A 49 18.436 26.092 23.024 1.00 0.00 C ATOM 800 C SER A 49 19.785 26.291 23.738 1.00 0.00 C ATOM 801 O SER A 49 20.384 25.308 24.171 1.00 0.00 O ATOM 802 CB SER A 49 18.516 26.211 21.492 1.00 0.00 C ATOM 803 OG SER A 49 19.819 26.363 20.972 1.00 0.00 O ATOM 0 H SER A 49 17.062 27.616 22.718 1.00 0.00 H new ATOM 0 HA SER A 49 18.162 25.071 23.290 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.066 25.322 21.050 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.914 27.063 21.177 1.00 0.00 H new ATOM 0 HG SER A 49 19.837 27.121 20.351 1.00 0.00 H new ATOM 809 N VAL A 50 20.226 27.535 23.977 1.00 0.00 N ATOM 810 CA VAL A 50 21.430 27.825 24.789 1.00 0.00 C ATOM 811 C VAL A 50 21.281 27.348 26.233 1.00 0.00 C ATOM 812 O VAL A 50 22.158 26.648 26.741 1.00 0.00 O ATOM 813 CB VAL A 50 21.788 29.326 24.782 1.00 0.00 C ATOM 814 CG1 VAL A 50 22.860 29.682 25.821 1.00 0.00 C ATOM 815 CG2 VAL A 50 22.317 29.746 23.413 1.00 0.00 C ATOM 0 H VAL A 50 19.764 28.370 23.617 1.00 0.00 H new ATOM 0 HA VAL A 50 22.242 27.269 24.320 1.00 0.00 H new ATOM 0 HB VAL A 50 20.866 29.854 25.026 1.00 0.00 H new ATOM 0 HG11 VAL A 50 23.073 30.750 25.772 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.499 29.429 26.818 1.00 0.00 H new ATOM 0 HG13 VAL A 50 23.770 29.120 25.612 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.564 30.808 23.428 1.00 0.00 H new ATOM 0 HG22 VAL A 50 23.211 29.169 23.176 1.00 0.00 H new ATOM 0 HG23 VAL A 50 21.555 29.562 22.656 1.00 0.00 H new ATOM 825 N ARG A 51 20.192 27.723 26.917 1.00 0.00 N ATOM 826 CA ARG A 51 19.991 27.340 28.327 1.00 0.00 C ATOM 827 C ARG A 51 19.719 25.852 28.513 1.00 0.00 C ATOM 828 O ARG A 51 20.027 25.309 29.564 1.00 0.00 O ATOM 829 CB ARG A 51 18.982 28.248 29.044 1.00 0.00 C ATOM 830 CG ARG A 51 17.594 28.318 28.404 1.00 0.00 C ATOM 831 CD ARG A 51 16.646 27.172 28.763 1.00 0.00 C ATOM 832 NE ARG A 51 16.231 27.271 30.165 1.00 0.00 N ATOM 833 CZ ARG A 51 15.338 26.530 30.775 1.00 0.00 C ATOM 834 NH1 ARG A 51 14.817 25.472 30.234 1.00 0.00 N ATOM 835 NH2 ARG A 51 14.921 26.858 31.956 1.00 0.00 N ATOM 0 H ARG A 51 19.439 28.288 26.523 1.00 0.00 H new ATOM 0 HA ARG A 51 20.944 27.511 28.827 1.00 0.00 H new ATOM 0 HB2 ARG A 51 18.873 27.901 30.072 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.394 29.256 29.090 1.00 0.00 H new ATOM 0 HG2 ARG A 51 17.126 29.258 28.695 1.00 0.00 H new ATOM 0 HG3 ARG A 51 17.713 28.342 27.321 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.770 27.200 28.115 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.140 26.216 28.590 1.00 0.00 H new ATOM 0 HE ARG A 51 16.685 27.993 30.725 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.100 25.187 29.296 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.125 24.925 30.746 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.287 27.693 32.412 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.226 26.281 32.430 1.00 0.00 H new ATOM 849 N ASP A 52 19.202 25.162 27.502 1.00 0.00 N ATOM 850 CA ASP A 52 19.119 23.700 27.517 1.00 0.00 C ATOM 851 C ASP A 52 20.484 23.052 27.259 1.00 0.00 C ATOM 852 O ASP A 52 20.829 22.092 27.945 1.00 0.00 O ATOM 853 CB ASP A 52 18.051 23.238 26.525 1.00 0.00 C ATOM 854 CG ASP A 52 16.620 23.509 27.005 1.00 0.00 C ATOM 855 OD1 ASP A 52 16.384 23.715 28.223 1.00 0.00 O ATOM 856 OD2 ASP A 52 15.703 23.401 26.157 1.00 0.00 O ATOM 0 H ASP A 52 18.831 25.592 26.655 1.00 0.00 H new ATOM 0 HA ASP A 52 18.820 23.371 28.512 1.00 0.00 H new ATOM 0 HB2 ASP A 52 18.209 23.742 25.571 1.00 0.00 H new ATOM 0 HB3 ASP A 52 18.170 22.170 26.345 1.00 0.00 H new ATOM 861 N ALA A 53 21.294 23.609 26.354 1.00 0.00 N ATOM 862 CA ALA A 53 22.645 23.132 26.077 1.00 0.00 C ATOM 863 C ALA A 53 23.516 23.098 27.346 1.00 0.00 C ATOM 864 O ALA A 53 23.904 22.013 27.779 1.00 0.00 O ATOM 865 CB ALA A 53 23.240 23.965 24.933 1.00 0.00 C ATOM 0 H ALA A 53 21.023 24.413 25.788 1.00 0.00 H new ATOM 0 HA ALA A 53 22.611 22.094 25.747 1.00 0.00 H new ATOM 0 HB1 ALA A 53 24.250 23.617 24.717 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.621 23.856 24.043 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.272 25.014 25.226 1.00 0.00 H new ATOM 871 N ILE A 54 23.792 24.235 27.997 1.00 0.00 N ATOM 872 CA ILE A 54 24.657 24.209 29.192 1.00 0.00 C ATOM 873 C ILE A 54 23.988 23.613 30.434 1.00 0.00 C ATOM 874 O ILE A 54 24.617 22.779 31.075 1.00 0.00 O ATOM 875 CB ILE A 54 25.395 25.536 29.501 1.00 0.00 C ATOM 876 CG1 ILE A 54 24.726 26.836 29.018 1.00 0.00 C ATOM 877 CG2 ILE A 54 26.816 25.454 28.930 1.00 0.00 C ATOM 878 CD1 ILE A 54 23.384 27.094 29.701 1.00 0.00 C ATOM 0 H ILE A 54 23.445 25.157 27.732 1.00 0.00 H new ATOM 0 HA ILE A 54 25.444 23.512 28.904 1.00 0.00 H new ATOM 0 HB ILE A 54 25.376 25.616 30.588 1.00 0.00 H new ATOM 0 HG12 ILE A 54 25.394 27.676 29.208 1.00 0.00 H new ATOM 0 HG13 ILE A 54 24.577 26.785 27.939 1.00 0.00 H new ATOM 0 HG21 ILE A 54 27.347 26.382 29.141 1.00 0.00 H new ATOM 0 HG22 ILE A 54 27.346 24.620 29.391 1.00 0.00 H new ATOM 0 HG23 ILE A 54 26.767 25.301 27.852 1.00 0.00 H new ATOM 0 HD11 ILE A 54 22.956 28.023 29.324 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.704 26.269 29.490 1.00 0.00 H new ATOM 0 HD13 ILE A 54 23.533 27.175 30.778 1.00 0.00 H new ATOM 890 N GLU A 55 22.741 23.945 30.779 1.00 0.00 N ATOM 891 CA GLU A 55 22.165 23.483 32.055 1.00 0.00 C ATOM 892 C GLU A 55 21.907 21.965 32.077 1.00 0.00 C ATOM 893 O GLU A 55 22.023 21.341 33.139 1.00 0.00 O ATOM 894 CB GLU A 55 20.876 24.249 32.401 1.00 0.00 C ATOM 895 CG GLU A 55 21.096 25.771 32.511 1.00 0.00 C ATOM 896 CD GLU A 55 19.851 26.529 32.988 1.00 0.00 C ATOM 897 OE1 GLU A 55 18.718 26.298 32.509 1.00 0.00 O ATOM 898 OE2 GLU A 55 19.964 27.391 33.891 1.00 0.00 O ATOM 0 H GLU A 55 22.119 24.519 30.210 1.00 0.00 H new ATOM 0 HA GLU A 55 22.914 23.696 32.818 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.124 24.050 31.637 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.479 23.875 33.345 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.917 25.964 33.201 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.399 26.159 31.539 1.00 0.00 H new ATOM 905 N CYS A 56 21.604 21.363 30.917 1.00 0.00 N ATOM 906 CA CYS A 56 21.176 19.967 30.800 1.00 0.00 C ATOM 907 C CYS A 56 22.265 19.018 30.251 1.00 0.00 C ATOM 908 O CYS A 56 22.281 17.850 30.644 1.00 0.00 O ATOM 909 CB CYS A 56 19.887 19.954 29.970 1.00 0.00 C ATOM 910 SG CYS A 56 18.896 18.470 30.284 1.00 0.00 S ATOM 0 H CYS A 56 21.652 21.845 30.019 1.00 0.00 H new ATOM 0 HA CYS A 56 20.986 19.565 31.795 1.00 0.00 H new ATOM 0 HB2 CYS A 56 19.297 20.840 30.202 1.00 0.00 H new ATOM 0 HB3 CYS A 56 20.137 20.006 28.910 1.00 0.00 H new ATOM 0 HG CYS A 56 17.817 18.508 29.560 1.00 0.00 H new ATOM 916 N GLU A 57 23.205 19.483 29.412 1.00 0.00 N ATOM 917 CA GLU A 57 24.406 18.708 29.045 1.00 0.00 C ATOM 918 C GLU A 57 25.523 18.909 30.076 1.00 0.00 C ATOM 919 O GLU A 57 26.083 17.935 30.587 1.00 0.00 O ATOM 920 CB GLU A 57 24.912 19.101 27.640 1.00 0.00 C ATOM 921 CG GLU A 57 25.869 18.101 26.966 1.00 0.00 C ATOM 922 CD GLU A 57 27.235 17.914 27.648 1.00 0.00 C ATOM 923 OE1 GLU A 57 27.849 18.876 28.169 1.00 0.00 O ATOM 924 OE2 GLU A 57 27.713 16.755 27.700 1.00 0.00 O ATOM 0 H GLU A 57 23.157 20.401 28.970 1.00 0.00 H new ATOM 0 HA GLU A 57 24.126 17.655 29.032 1.00 0.00 H new ATOM 0 HB2 GLU A 57 24.048 19.242 26.990 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.417 20.064 27.713 1.00 0.00 H new ATOM 0 HG2 GLU A 57 25.374 17.131 26.916 1.00 0.00 H new ATOM 0 HG3 GLU A 57 26.039 18.426 25.939 1.00 0.00 H new ATOM 1095 N ILE A 68 31.358 28.217 36.162 1.00 0.00 N ATOM 1096 CA ILE A 68 30.141 28.912 35.714 1.00 0.00 C ATOM 1097 C ILE A 68 29.906 28.748 34.204 1.00 0.00 C ATOM 1098 O ILE A 68 30.794 28.346 33.445 1.00 0.00 O ATOM 1099 CB ILE A 68 30.114 30.399 36.165 1.00 0.00 C ATOM 1100 CG1 ILE A 68 31.284 31.300 35.705 1.00 0.00 C ATOM 1101 CG2 ILE A 68 30.037 30.468 37.699 1.00 0.00 C ATOM 1102 CD1 ILE A 68 31.331 31.616 34.205 1.00 0.00 C ATOM 0 HA ILE A 68 29.300 28.428 36.211 1.00 0.00 H new ATOM 0 HB ILE A 68 29.232 30.800 35.665 1.00 0.00 H new ATOM 0 HG12 ILE A 68 31.232 32.240 36.254 1.00 0.00 H new ATOM 0 HG13 ILE A 68 32.221 30.819 35.986 1.00 0.00 H new ATOM 0 HG21 ILE A 68 30.018 31.511 38.016 1.00 0.00 H new ATOM 0 HG22 ILE A 68 29.130 29.968 38.041 1.00 0.00 H new ATOM 0 HG23 ILE A 68 30.908 29.974 38.130 1.00 0.00 H new ATOM 0 HD11 ILE A 68 32.190 32.253 33.994 1.00 0.00 H new ATOM 0 HD12 ILE A 68 31.421 30.688 33.640 1.00 0.00 H new ATOM 0 HD13 ILE A 68 30.416 32.132 33.913 1.00 0.00 H new ATOM 1114 N LEU A 69 28.695 29.100 33.778 1.00 0.00 N ATOM 1115 CA LEU A 69 28.297 29.331 32.388 1.00 0.00 C ATOM 1116 C LEU A 69 27.754 30.754 32.233 1.00 0.00 C ATOM 1117 O LEU A 69 27.413 31.390 33.234 1.00 0.00 O ATOM 1118 CB LEU A 69 27.296 28.247 31.922 1.00 0.00 C ATOM 1119 CG LEU A 69 25.825 28.289 32.401 1.00 0.00 C ATOM 1120 CD1 LEU A 69 25.666 28.390 33.910 1.00 0.00 C ATOM 1121 CD2 LEU A 69 24.959 29.394 31.781 1.00 0.00 C ATOM 0 H LEU A 69 27.921 29.240 34.428 1.00 0.00 H new ATOM 0 HA LEU A 69 29.167 29.246 31.736 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.282 28.267 30.832 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.705 27.281 32.218 1.00 0.00 H new ATOM 0 HG LEU A 69 25.467 27.323 32.046 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.606 28.414 34.163 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.133 27.526 34.384 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.145 29.302 34.266 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.948 29.334 32.185 1.00 0.00 H new ATOM 0 HD22 LEU A 69 25.387 30.368 32.018 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.926 29.266 30.699 1.00 0.00 H new ATOM 1133 N GLU A 70 27.598 31.238 31.000 1.00 0.00 N ATOM 1134 CA GLU A 70 26.763 32.419 30.718 1.00 0.00 C ATOM 1135 C GLU A 70 25.844 32.179 29.516 1.00 0.00 C ATOM 1136 O GLU A 70 26.319 31.930 28.405 1.00 0.00 O ATOM 1137 CB GLU A 70 27.586 33.709 30.528 1.00 0.00 C ATOM 1138 CG GLU A 70 28.655 33.906 31.611 1.00 0.00 C ATOM 1139 CD GLU A 70 29.287 35.292 31.568 1.00 0.00 C ATOM 1140 OE1 GLU A 70 29.675 35.763 30.476 1.00 0.00 O ATOM 1141 OE2 GLU A 70 29.404 35.912 32.651 1.00 0.00 O ATOM 0 H GLU A 70 28.038 30.832 30.174 1.00 0.00 H new ATOM 0 HA GLU A 70 26.145 32.569 31.603 1.00 0.00 H new ATOM 0 HB2 GLU A 70 28.068 33.685 29.551 1.00 0.00 H new ATOM 0 HB3 GLU A 70 26.913 34.566 30.530 1.00 0.00 H new ATOM 0 HG2 GLU A 70 28.207 33.746 32.592 1.00 0.00 H new ATOM 0 HG3 GLU A 70 29.433 33.152 31.489 1.00 0.00 H new ATOM 1148 N VAL A 71 24.529 32.282 29.732 1.00 0.00 N ATOM 1149 CA VAL A 71 23.509 32.270 28.671 1.00 0.00 C ATOM 1150 C VAL A 71 23.262 33.691 28.175 1.00 0.00 C ATOM 1151 O VAL A 71 23.139 34.622 28.974 1.00 0.00 O ATOM 1152 CB VAL A 71 22.202 31.573 29.117 1.00 0.00 C ATOM 1153 CG1 VAL A 71 21.721 31.973 30.518 1.00 0.00 C ATOM 1154 CG2 VAL A 71 21.044 31.826 28.138 1.00 0.00 C ATOM 0 H VAL A 71 24.133 32.378 30.667 1.00 0.00 H new ATOM 0 HA VAL A 71 23.890 31.676 27.840 1.00 0.00 H new ATOM 0 HB VAL A 71 22.470 30.516 29.132 1.00 0.00 H new ATOM 0 HG11 VAL A 71 20.800 31.439 30.753 1.00 0.00 H new ATOM 0 HG12 VAL A 71 22.485 31.717 31.252 1.00 0.00 H new ATOM 0 HG13 VAL A 71 21.536 33.047 30.546 1.00 0.00 H new ATOM 0 HG21 VAL A 71 20.149 31.316 28.494 1.00 0.00 H new ATOM 0 HG22 VAL A 71 20.850 32.897 28.072 1.00 0.00 H new ATOM 0 HG23 VAL A 71 21.311 31.444 27.152 1.00 0.00 H new ATOM 1164 N SER A 72 23.191 33.873 26.856 1.00 0.00 N ATOM 1165 CA SER A 72 22.929 35.171 26.240 1.00 0.00 C ATOM 1166 C SER A 72 22.288 35.051 24.846 1.00 0.00 C ATOM 1167 O SER A 72 22.224 33.974 24.241 1.00 0.00 O ATOM 1168 CB SER A 72 24.247 35.954 26.230 1.00 0.00 C ATOM 1169 OG SER A 72 24.043 37.298 25.853 1.00 0.00 O ATOM 0 H SER A 72 23.315 33.118 26.182 1.00 0.00 H new ATOM 0 HA SER A 72 22.187 35.715 26.825 1.00 0.00 H new ATOM 0 HB2 SER A 72 24.702 35.917 27.220 1.00 0.00 H new ATOM 0 HB3 SER A 72 24.947 35.483 25.540 1.00 0.00 H new ATOM 0 HG SER A 72 24.900 37.773 25.857 1.00 0.00 H new