USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 859 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 19 LYS NZ :NH3+ -154:sc= 2 (180deg=0.358) USER MOD Set 1.2: A 109 SER OG : rot -95:sc= 2.16 USER MOD Set 2.1: A 69 SER OG : rot -61:sc= 1.23 USER MOD Set 2.2: A 76 GLN : amide:sc= 0.385 K(o=1.6,f=-1.1!) USER MOD Set 3.1: A 41 GLN : amide:sc= 0.871 K(o=1.9,f=-5.9!) USER MOD Set 3.2: A 44 LYS NZ :NH3+ -143:sc= 1.05 (180deg=0) USER MOD Set 4.1: A 24 MET CE :methyl -162:sc= -0.364 (180deg=-1.21) USER MOD Set 4.2: A 52 SER OG : rot -160:sc= 0 USER MOD Set 5.1: A 17 SER OG : rot -89:sc= 1.67 USER MOD Set 5.2: A 18 HIS : no HE2:sc= 0.236 K(o=1.9,f=-1.9!) USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00443) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0139 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -75:sc= 1.1 USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.13) USER MOD Single : A 9 THR OG1 : rot 148:sc= 0.703 USER MOD Single : A 10 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -79:sc= 1.08 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.342 USER MOD Single : A 28 LYS NZ :NH3+ -149:sc= 0.946 (180deg=-0.0642) USER MOD Single : A 32 GLN : amide:sc= -0.0546 X(o=-0.055,f=-0.12) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.0151 USER MOD Single : A 36 SER OG : rot 68:sc= 0.356 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 80:sc= 1.17 USER MOD Single : A 45 SER OG : rot 87:sc= 1.24 USER MOD Single : A 47 ASN : amide:sc= -0.0119 K(o=-0.012,f=-0.79) USER MOD Single : A 54 ASN : amide:sc= 1.45 K(o=1.4,f=-1.8) USER MOD Single : A 58 ASN : amide:sc= 0.418 K(o=0.42,f=-8.3!) USER MOD Single : A 63 GLN : amide:sc= 0.801 K(o=0.8,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -15:sc= 1.24 USER MOD Single : A 73 THR OG1 : rot -28:sc= 1.19 USER MOD Single : A 78 TYR OH : rot 180:sc= 0.318 USER MOD Single : A 87 CYS SG : rot 115:sc= -0.0016 USER MOD Single : A 90 THR OG1 : rot 78:sc= 1.14 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 84:sc= 1.32 USER MOD Single : A 100 GLN : amide:sc= 0.846 K(o=0.85,f=-0.33) USER MOD Single : A 102 GLN : amide:sc= 0.759 K(o=0.76,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -168:sc=-0.00501 (180deg=-0.147) USER MOD Single : A 108 CYS SG : rot 77:sc= 0.544 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.531 2.219 -3.468 1.00 0.00 N ATOM 2 CA MET A 1 -6.610 3.240 -2.883 1.00 0.00 C ATOM 3 C MET A 1 -5.959 4.092 -3.987 1.00 0.00 C ATOM 4 O MET A 1 -5.639 3.574 -5.055 1.00 0.00 O ATOM 5 CB MET A 1 -5.541 2.569 -1.979 1.00 0.00 C ATOM 6 CG MET A 1 -4.736 3.556 -1.114 1.00 0.00 C ATOM 7 SD MET A 1 -3.439 2.773 -0.114 1.00 0.00 S ATOM 8 CE MET A 1 -2.760 4.233 0.723 1.00 0.00 C ATOM 0 H1 MET A 1 -7.382 1.305 -2.994 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.517 2.523 -3.333 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.336 2.118 -4.485 1.00 0.00 H new ATOM 0 HA MET A 1 -7.200 3.909 -2.256 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.034 1.849 -1.326 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.850 2.008 -2.608 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.279 4.303 -1.763 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.421 4.085 -0.452 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.912 3.937 1.341 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.431 4.959 -0.021 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.528 4.682 1.353 1.00 0.00 H new ATOM 20 N ALA A 2 -5.732 5.390 -3.738 1.00 0.00 N ATOM 21 CA ALA A 2 -5.153 6.330 -4.721 1.00 0.00 C ATOM 22 C ALA A 2 -3.658 6.100 -5.014 1.00 0.00 C ATOM 23 O ALA A 2 -3.184 6.463 -6.092 1.00 0.00 O ATOM 24 CB ALA A 2 -5.398 7.753 -4.196 1.00 0.00 C ATOM 0 H ALA A 2 -5.946 5.825 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.645 6.164 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.983 8.476 -4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.470 7.923 -4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.916 7.871 -3.226 1.00 0.00 H new ATOM 30 N LEU A 3 -2.905 5.505 -4.082 1.00 0.00 N ATOM 31 CA LEU A 3 -1.463 5.234 -4.201 1.00 0.00 C ATOM 32 C LEU A 3 -1.207 4.138 -5.263 1.00 0.00 C ATOM 33 O LEU A 3 -1.270 2.948 -4.958 1.00 0.00 O ATOM 34 CB LEU A 3 -0.902 4.907 -2.793 1.00 0.00 C ATOM 35 CG LEU A 3 0.615 5.130 -2.599 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.970 4.813 -1.138 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.507 4.303 -3.536 1.00 0.00 C ATOM 0 H LEU A 3 -3.293 5.187 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.924 6.110 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.435 5.514 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.128 3.865 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 3 0.814 6.172 -2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.038 4.965 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.409 5.473 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.715 3.776 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.554 4.523 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.320 3.242 -3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.280 4.556 -4.572 1.00 0.00 H new ATOM 49 N THR A 4 -0.951 4.603 -6.502 1.00 0.00 N ATOM 50 CA THR A 4 -0.510 3.974 -7.781 1.00 0.00 C ATOM 51 C THR A 4 -1.348 4.430 -8.989 1.00 0.00 C ATOM 52 O THR A 4 -0.717 4.877 -9.949 1.00 0.00 O ATOM 53 CB THR A 4 -0.256 2.451 -7.799 1.00 0.00 C ATOM 54 OG1 THR A 4 -1.313 1.712 -7.255 1.00 0.00 O ATOM 55 CG2 THR A 4 1.035 2.097 -7.059 1.00 0.00 C ATOM 0 H THR A 4 -1.068 5.604 -6.661 1.00 0.00 H new ATOM 0 HA THR A 4 0.499 4.375 -7.872 1.00 0.00 H new ATOM 0 HB THR A 4 -0.166 2.181 -8.851 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.306 1.801 -6.279 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.187 1.018 -7.089 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.878 2.596 -7.538 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.962 2.425 -6.022 1.00 0.00 H new ATOM 63 N PRO A 5 -2.703 4.406 -8.981 1.00 0.00 N ATOM 64 CA PRO A 5 -3.498 4.883 -10.120 1.00 0.00 C ATOM 65 C PRO A 5 -3.625 6.413 -10.191 1.00 0.00 C ATOM 66 O PRO A 5 -3.662 6.957 -11.297 1.00 0.00 O ATOM 67 CB PRO A 5 -4.876 4.233 -9.950 1.00 0.00 C ATOM 68 CG PRO A 5 -5.009 4.071 -8.438 1.00 0.00 C ATOM 69 CD PRO A 5 -3.580 3.734 -8.025 1.00 0.00 C ATOM 0 HA PRO A 5 -3.008 4.609 -11.054 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.669 4.860 -10.358 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -4.933 3.273 -10.463 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.367 4.983 -7.960 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.708 3.277 -8.173 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.379 4.074 -7.009 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.416 2.657 -8.039 1.00 0.00 H new ATOM 77 N ALA A 6 -3.694 7.115 -9.047 1.00 0.00 N ATOM 78 CA ALA A 6 -4.034 8.548 -8.998 1.00 0.00 C ATOM 79 C ALA A 6 -2.978 9.428 -8.311 1.00 0.00 C ATOM 80 O ALA A 6 -2.617 10.476 -8.849 1.00 0.00 O ATOM 81 CB ALA A 6 -5.400 8.664 -8.302 1.00 0.00 C ATOM 0 H ALA A 6 -3.516 6.705 -8.130 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.069 8.930 -10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.691 9.713 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.147 8.111 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.332 8.250 -7.296 1.00 0.00 H new ATOM 87 N LEU A 7 -2.465 9.034 -7.139 1.00 0.00 N ATOM 88 CA LEU A 7 -1.552 9.867 -6.348 1.00 0.00 C ATOM 89 C LEU A 7 -0.204 10.047 -7.042 1.00 0.00 C ATOM 90 O LEU A 7 0.225 11.173 -7.247 1.00 0.00 O ATOM 91 CB LEU A 7 -1.399 9.267 -4.936 1.00 0.00 C ATOM 92 CG LEU A 7 -0.552 10.134 -3.981 1.00 0.00 C ATOM 93 CD1 LEU A 7 -1.241 11.467 -3.643 1.00 0.00 C ATOM 94 CD2 LEU A 7 -0.284 9.350 -2.694 1.00 0.00 C ATOM 0 H LEU A 7 -2.671 8.130 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.980 10.865 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.389 9.125 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.943 8.281 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 7 0.385 10.371 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.608 12.043 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.405 12.034 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.199 11.270 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.314 9.958 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.231 9.099 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.256 8.434 -2.932 1.00 0.00 H new ATOM 106 N LYS A 8 0.449 8.963 -7.471 1.00 0.00 N ATOM 107 CA LYS A 8 1.762 9.043 -8.139 1.00 0.00 C ATOM 108 C LYS A 8 1.669 9.786 -9.490 1.00 0.00 C ATOM 109 O LYS A 8 2.558 10.566 -9.833 1.00 0.00 O ATOM 110 CB LYS A 8 2.358 7.627 -8.267 1.00 0.00 C ATOM 111 CG LYS A 8 2.658 7.004 -6.886 1.00 0.00 C ATOM 112 CD LYS A 8 3.339 5.629 -6.977 1.00 0.00 C ATOM 113 CE LYS A 8 4.776 5.711 -7.520 1.00 0.00 C ATOM 114 NZ LYS A 8 5.435 4.377 -7.508 1.00 0.00 N ATOM 0 H LYS A 8 0.092 8.013 -7.369 1.00 0.00 H new ATOM 0 HA LYS A 8 2.443 9.637 -7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.663 6.988 -8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.276 7.671 -8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.297 7.682 -6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.726 6.905 -6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.355 5.170 -5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.748 4.978 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.761 6.102 -8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.355 6.411 -6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.340 4.432 -8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.608 4.084 -6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.818 3.681 -7.974 1.00 0.00 H new ATOM 128 N THR A 9 0.535 9.637 -10.188 1.00 0.00 N ATOM 129 CA THR A 9 0.120 10.379 -11.391 1.00 0.00 C ATOM 130 C THR A 9 -0.025 11.881 -11.116 1.00 0.00 C ATOM 131 O THR A 9 0.455 12.695 -11.902 1.00 0.00 O ATOM 132 CB THR A 9 -1.193 9.784 -11.907 1.00 0.00 C ATOM 133 OG1 THR A 9 -1.170 8.377 -11.780 1.00 0.00 O ATOM 134 CG2 THR A 9 -1.405 10.112 -13.376 1.00 0.00 C ATOM 0 H THR A 9 -0.165 8.949 -9.910 1.00 0.00 H new ATOM 0 HA THR A 9 0.894 10.279 -12.152 1.00 0.00 H new ATOM 0 HB THR A 9 -2.000 10.214 -11.314 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.077 8.050 -11.604 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.345 9.676 -13.714 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.439 11.194 -13.506 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.583 9.702 -13.963 1.00 0.00 H new ATOM 142 N THR A 10 -0.634 12.253 -9.979 1.00 0.00 N ATOM 143 CA THR A 10 -0.782 13.648 -9.518 1.00 0.00 C ATOM 144 C THR A 10 0.565 14.241 -9.117 1.00 0.00 C ATOM 145 O THR A 10 0.879 15.364 -9.506 1.00 0.00 O ATOM 146 CB THR A 10 -1.785 13.728 -8.357 1.00 0.00 C ATOM 147 OG1 THR A 10 -3.023 13.198 -8.781 1.00 0.00 O ATOM 148 CG2 THR A 10 -2.035 15.169 -7.909 1.00 0.00 C ATOM 0 H THR A 10 -1.048 11.577 -9.337 1.00 0.00 H new ATOM 0 HA THR A 10 -1.170 14.240 -10.347 1.00 0.00 H new ATOM 0 HB THR A 10 -1.362 13.166 -7.524 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.942 12.228 -8.895 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.750 15.175 -7.087 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.097 15.615 -7.578 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.436 15.745 -8.743 1.00 0.00 H new ATOM 156 N LEU A 11 1.393 13.483 -8.393 1.00 0.00 N ATOM 157 CA LEU A 11 2.752 13.883 -8.023 1.00 0.00 C ATOM 158 C LEU A 11 3.617 14.148 -9.260 1.00 0.00 C ATOM 159 O LEU A 11 4.297 15.169 -9.292 1.00 0.00 O ATOM 160 CB LEU A 11 3.380 12.829 -7.090 1.00 0.00 C ATOM 161 CG LEU A 11 2.766 12.767 -5.673 1.00 0.00 C ATOM 162 CD1 LEU A 11 3.356 11.569 -4.916 1.00 0.00 C ATOM 163 CD2 LEU A 11 3.027 14.058 -4.875 1.00 0.00 C ATOM 0 H LEU A 11 1.134 12.561 -8.043 1.00 0.00 H new ATOM 0 HA LEU A 11 2.700 14.825 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.283 11.848 -7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.447 13.034 -6.999 1.00 0.00 H new ATOM 0 HG LEU A 11 1.687 12.656 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.925 11.522 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.125 10.649 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.437 11.683 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.578 13.971 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.101 14.212 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.586 14.906 -5.400 1.00 0.00 H new ATOM 175 N ASP A 12 3.527 13.331 -10.314 1.00 0.00 N ATOM 176 CA ASP A 12 4.207 13.593 -11.590 1.00 0.00 C ATOM 177 C ASP A 12 3.729 14.894 -12.258 1.00 0.00 C ATOM 178 O ASP A 12 4.550 15.707 -12.694 1.00 0.00 O ATOM 179 CB ASP A 12 4.023 12.391 -12.526 1.00 0.00 C ATOM 180 CG ASP A 12 4.785 12.584 -13.845 1.00 0.00 C ATOM 181 OD1 ASP A 12 6.029 12.415 -13.848 1.00 0.00 O ATOM 182 OD2 ASP A 12 4.140 12.890 -14.875 1.00 0.00 O ATOM 0 H ASP A 12 2.981 12.469 -10.308 1.00 0.00 H new ATOM 0 HA ASP A 12 5.268 13.731 -11.381 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.374 11.486 -12.031 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.962 12.250 -12.734 1.00 0.00 H new ATOM 187 N LYS A 13 2.415 15.159 -12.267 1.00 0.00 N ATOM 188 CA LYS A 13 1.854 16.433 -12.742 1.00 0.00 C ATOM 189 C LYS A 13 2.320 17.620 -11.880 1.00 0.00 C ATOM 190 O LYS A 13 2.707 18.659 -12.418 1.00 0.00 O ATOM 191 CB LYS A 13 0.316 16.332 -12.806 1.00 0.00 C ATOM 192 CG LYS A 13 -0.150 15.436 -13.964 1.00 0.00 C ATOM 193 CD LYS A 13 -1.677 15.292 -13.973 1.00 0.00 C ATOM 194 CE LYS A 13 -2.118 14.401 -15.144 1.00 0.00 C ATOM 195 NZ LYS A 13 -3.600 14.288 -15.223 1.00 0.00 N ATOM 0 H LYS A 13 1.710 14.496 -11.945 1.00 0.00 H new ATOM 0 HA LYS A 13 2.228 16.625 -13.748 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.061 15.934 -11.864 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.109 17.329 -12.924 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.184 15.859 -14.912 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.310 14.452 -13.874 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.015 14.860 -13.031 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.142 16.274 -14.058 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.734 14.811 -16.078 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.683 13.408 -15.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.859 13.679 -16.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.964 13.873 -14.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.014 15.233 -15.358 1.00 0.00 H new ATOM 209 N VAL A 14 2.378 17.464 -10.554 1.00 0.00 N ATOM 210 CA VAL A 14 2.958 18.453 -9.625 1.00 0.00 C ATOM 211 C VAL A 14 4.445 18.684 -9.931 1.00 0.00 C ATOM 212 O VAL A 14 4.836 19.821 -10.165 1.00 0.00 O ATOM 213 CB VAL A 14 2.709 18.071 -8.150 1.00 0.00 C ATOM 214 CG1 VAL A 14 3.608 18.807 -7.139 1.00 0.00 C ATOM 215 CG2 VAL A 14 1.238 18.307 -7.777 1.00 0.00 C ATOM 0 H VAL A 14 2.018 16.634 -10.083 1.00 0.00 H new ATOM 0 HA VAL A 14 2.446 19.402 -9.782 1.00 0.00 H new ATOM 0 HB VAL A 14 2.965 17.014 -8.083 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.365 18.478 -6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.653 18.584 -7.352 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.443 19.881 -7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.079 18.033 -6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.991 19.359 -7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.599 17.696 -8.414 1.00 0.00 H new ATOM 225 N VAL A 15 5.255 17.625 -10.013 1.00 0.00 N ATOM 226 CA VAL A 15 6.697 17.676 -10.310 1.00 0.00 C ATOM 227 C VAL A 15 6.992 18.438 -11.606 1.00 0.00 C ATOM 228 O VAL A 15 7.834 19.334 -11.602 1.00 0.00 O ATOM 229 CB VAL A 15 7.282 16.247 -10.348 1.00 0.00 C ATOM 230 CG1 VAL A 15 8.553 16.081 -11.199 1.00 0.00 C ATOM 231 CG2 VAL A 15 7.549 15.762 -8.912 1.00 0.00 C ATOM 0 H VAL A 15 4.917 16.673 -9.870 1.00 0.00 H new ATOM 0 HA VAL A 15 7.185 18.230 -9.508 1.00 0.00 H new ATOM 0 HB VAL A 15 6.526 15.636 -10.841 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.884 15.043 -11.160 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.338 16.355 -12.232 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.339 16.727 -10.809 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.962 14.754 -8.939 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.260 16.432 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.615 15.757 -8.350 1.00 0.00 H new ATOM 241 N THR A 16 6.292 18.096 -12.696 1.00 0.00 N ATOM 242 CA THR A 16 6.539 18.653 -14.037 1.00 0.00 C ATOM 243 C THR A 16 6.036 20.085 -14.212 1.00 0.00 C ATOM 244 O THR A 16 6.648 20.844 -14.959 1.00 0.00 O ATOM 245 CB THR A 16 5.967 17.742 -15.133 1.00 0.00 C ATOM 246 OG1 THR A 16 4.625 17.411 -14.858 1.00 0.00 O ATOM 247 CG2 THR A 16 6.764 16.440 -15.250 1.00 0.00 C ATOM 0 H THR A 16 5.530 17.418 -12.674 1.00 0.00 H new ATOM 0 HA THR A 16 7.623 18.696 -14.140 1.00 0.00 H new ATOM 0 HB THR A 16 6.034 18.296 -16.070 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.595 16.697 -14.188 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.333 15.819 -16.035 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.801 16.669 -15.497 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.727 15.904 -14.301 1.00 0.00 H new ATOM 255 N SER A 17 4.965 20.479 -13.521 1.00 0.00 N ATOM 256 CA SER A 17 4.417 21.848 -13.611 1.00 0.00 C ATOM 257 C SER A 17 5.005 22.831 -12.576 1.00 0.00 C ATOM 258 O SER A 17 5.197 24.006 -12.890 1.00 0.00 O ATOM 259 CB SER A 17 2.884 21.812 -13.482 1.00 0.00 C ATOM 260 OG SER A 17 2.470 21.303 -12.224 1.00 0.00 O ATOM 0 H SER A 17 4.451 19.869 -12.886 1.00 0.00 H new ATOM 0 HA SER A 17 4.711 22.225 -14.591 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.485 22.817 -13.616 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.467 21.195 -14.278 1.00 0.00 H new ATOM 0 HG SER A 17 2.380 20.329 -12.279 1.00 0.00 H new ATOM 266 N HIS A 18 5.291 22.385 -11.344 1.00 0.00 N ATOM 267 CA HIS A 18 5.765 23.260 -10.258 1.00 0.00 C ATOM 268 C HIS A 18 7.303 23.397 -10.248 1.00 0.00 C ATOM 269 O HIS A 18 7.829 24.469 -9.946 1.00 0.00 O ATOM 270 CB HIS A 18 5.295 22.713 -8.893 1.00 0.00 C ATOM 271 CG HIS A 18 3.802 22.627 -8.643 1.00 0.00 C ATOM 272 ND1 HIS A 18 2.790 22.462 -9.564 1.00 0.00 N ATOM 273 CD2 HIS A 18 3.204 22.645 -7.409 1.00 0.00 C ATOM 274 CE1 HIS A 18 1.621 22.387 -8.904 1.00 0.00 C ATOM 275 NE2 HIS A 18 1.820 22.497 -7.578 1.00 0.00 N ATOM 0 H HIS A 18 5.201 21.406 -11.071 1.00 0.00 H new ATOM 0 HA HIS A 18 5.340 24.248 -10.434 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.713 21.714 -8.770 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.730 23.339 -8.114 1.00 0.00 H new ATOM 0 HD1 HIS A 18 2.908 22.406 -10.576 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.715 22.755 -6.464 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.657 22.257 -9.373 1.00 0.00 H new ATOM 283 N LYS A 19 8.035 22.307 -10.525 1.00 0.00 N ATOM 284 CA LYS A 19 9.501 22.187 -10.705 1.00 0.00 C ATOM 285 C LYS A 19 10.404 22.572 -9.512 1.00 0.00 C ATOM 286 O LYS A 19 11.492 22.012 -9.392 1.00 0.00 O ATOM 287 CB LYS A 19 9.943 22.914 -11.989 1.00 0.00 C ATOM 288 CG LYS A 19 9.233 22.350 -13.233 1.00 0.00 C ATOM 289 CD LYS A 19 10.022 22.580 -14.529 1.00 0.00 C ATOM 290 CE LYS A 19 10.338 24.058 -14.796 1.00 0.00 C ATOM 291 NZ LYS A 19 11.072 24.214 -16.080 1.00 0.00 N ATOM 0 H LYS A 19 7.580 21.401 -10.640 1.00 0.00 H new ATOM 0 HA LYS A 19 9.659 21.112 -10.786 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.727 23.979 -11.898 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.022 22.817 -12.110 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.070 21.281 -13.098 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.251 22.813 -13.325 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.956 22.019 -14.482 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.452 22.181 -15.368 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.413 24.633 -14.828 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.936 24.461 -13.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.647 25.080 -16.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.692 23.392 -16.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.391 24.279 -16.863 1.00 0.00 H new ATOM 305 N VAL A 20 9.984 23.472 -8.622 1.00 0.00 N ATOM 306 CA VAL A 20 10.676 23.864 -7.379 1.00 0.00 C ATOM 307 C VAL A 20 9.664 23.764 -6.232 1.00 0.00 C ATOM 308 O VAL A 20 8.709 24.540 -6.193 1.00 0.00 O ATOM 309 CB VAL A 20 11.251 25.302 -7.483 1.00 0.00 C ATOM 310 CG1 VAL A 20 12.002 25.698 -6.201 1.00 0.00 C ATOM 311 CG2 VAL A 20 12.196 25.481 -8.685 1.00 0.00 C ATOM 0 H VAL A 20 9.107 23.977 -8.749 1.00 0.00 H new ATOM 0 HA VAL A 20 11.522 23.200 -7.199 1.00 0.00 H new ATOM 0 HB VAL A 20 10.388 25.953 -7.624 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.392 26.710 -6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.319 25.659 -5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.828 25.006 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.567 26.506 -8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.036 24.793 -8.593 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.655 25.272 -9.608 1.00 0.00 H new ATOM 321 N VAL A 21 9.834 22.792 -5.324 1.00 0.00 N ATOM 322 CA VAL A 21 8.828 22.490 -4.280 1.00 0.00 C ATOM 323 C VAL A 21 9.445 22.187 -2.912 1.00 0.00 C ATOM 324 O VAL A 21 10.606 21.790 -2.812 1.00 0.00 O ATOM 325 CB VAL A 21 7.858 21.344 -4.678 1.00 0.00 C ATOM 326 CG1 VAL A 21 7.182 21.582 -6.038 1.00 0.00 C ATOM 327 CG2 VAL A 21 8.530 19.970 -4.696 1.00 0.00 C ATOM 0 H VAL A 21 10.661 22.196 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 21 8.252 23.411 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 21 7.097 21.351 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.516 20.749 -6.264 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.607 22.507 -6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.943 21.658 -6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.801 19.212 -4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.349 19.975 -5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.920 19.743 -3.704 1.00 0.00 H new ATOM 337 N LEU A 22 8.635 22.352 -1.863 1.00 0.00 N ATOM 338 CA LEU A 22 9.006 22.119 -0.466 1.00 0.00 C ATOM 339 C LEU A 22 7.889 21.330 0.231 1.00 0.00 C ATOM 340 O LEU A 22 6.761 21.813 0.340 1.00 0.00 O ATOM 341 CB LEU A 22 9.279 23.512 0.151 1.00 0.00 C ATOM 342 CG LEU A 22 9.885 23.594 1.567 1.00 0.00 C ATOM 343 CD1 LEU A 22 8.873 23.284 2.674 1.00 0.00 C ATOM 344 CD2 LEU A 22 11.121 22.702 1.725 1.00 0.00 C ATOM 0 H LEU A 22 7.669 22.662 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 22 9.904 21.511 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.947 24.047 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.335 24.057 0.164 1.00 0.00 H new ATOM 0 HG LEU A 22 10.192 24.634 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.362 23.359 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.051 23.998 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.485 22.274 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.510 22.795 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.847 21.664 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.886 23.011 1.013 1.00 0.00 H new ATOM 356 N PHE A 23 8.191 20.115 0.697 1.00 0.00 N ATOM 357 CA PHE A 23 7.270 19.240 1.427 1.00 0.00 C ATOM 358 C PHE A 23 7.331 19.553 2.930 1.00 0.00 C ATOM 359 O PHE A 23 8.410 19.474 3.516 1.00 0.00 O ATOM 360 CB PHE A 23 7.661 17.770 1.177 1.00 0.00 C ATOM 361 CG PHE A 23 7.646 17.316 -0.272 1.00 0.00 C ATOM 362 CD1 PHE A 23 6.425 17.151 -0.950 1.00 0.00 C ATOM 363 CD2 PHE A 23 8.853 17.022 -0.936 1.00 0.00 C ATOM 364 CE1 PHE A 23 6.408 16.731 -2.293 1.00 0.00 C ATOM 365 CE2 PHE A 23 8.836 16.595 -2.275 1.00 0.00 C ATOM 366 CZ PHE A 23 7.616 16.459 -2.958 1.00 0.00 C ATOM 0 H PHE A 23 9.114 19.700 0.572 1.00 0.00 H new ATOM 0 HA PHE A 23 6.252 19.409 1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.661 17.607 1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.983 17.133 1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.495 17.348 -0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.793 17.125 -0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.468 16.618 -2.812 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.764 16.371 -2.780 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.606 16.146 -3.992 1.00 0.00 H new ATOM 376 N MET A 24 6.190 19.858 3.563 1.00 0.00 N ATOM 377 CA MET A 24 6.093 20.114 5.016 1.00 0.00 C ATOM 378 C MET A 24 4.657 20.045 5.567 1.00 0.00 C ATOM 379 O MET A 24 3.683 19.977 4.825 1.00 0.00 O ATOM 380 CB MET A 24 6.749 21.465 5.365 1.00 0.00 C ATOM 381 CG MET A 24 6.057 22.657 4.698 1.00 0.00 C ATOM 382 SD MET A 24 6.671 24.214 5.367 1.00 0.00 S ATOM 383 CE MET A 24 5.768 25.309 4.270 1.00 0.00 C ATOM 0 H MET A 24 5.295 19.936 3.079 1.00 0.00 H new ATOM 0 HA MET A 24 6.636 19.305 5.506 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.733 21.601 6.446 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.796 21.443 5.062 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.228 22.626 3.622 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.980 22.590 4.852 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.226 26.298 4.285 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.796 24.912 3.255 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.733 25.384 4.602 1.00 0.00 H new ATOM 393 N LYS A 25 4.529 20.124 6.893 1.00 0.00 N ATOM 394 CA LYS A 25 3.251 20.153 7.631 1.00 0.00 C ATOM 395 C LYS A 25 2.444 21.460 7.445 1.00 0.00 C ATOM 396 O LYS A 25 1.239 21.484 7.699 1.00 0.00 O ATOM 397 CB LYS A 25 3.598 19.938 9.115 1.00 0.00 C ATOM 398 CG LYS A 25 4.072 18.500 9.416 1.00 0.00 C ATOM 399 CD LYS A 25 5.176 18.438 10.487 1.00 0.00 C ATOM 400 CE LYS A 25 4.842 19.164 11.801 1.00 0.00 C ATOM 401 NZ LYS A 25 3.771 18.483 12.585 1.00 0.00 N ATOM 0 H LYS A 25 5.339 20.172 7.511 1.00 0.00 H new ATOM 0 HA LYS A 25 2.601 19.371 7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.378 20.641 9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.722 20.162 9.724 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.220 17.905 9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.441 18.046 8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.388 17.392 10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.089 18.867 10.073 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.743 19.234 12.411 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.529 20.184 11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.588 19.016 13.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.900 18.439 12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.077 17.518 12.825 1.00 0.00 H new ATOM 415 N GLY A 26 3.102 22.549 7.015 1.00 0.00 N ATOM 416 CA GLY A 26 2.488 23.868 6.759 1.00 0.00 C ATOM 417 C GLY A 26 1.877 23.998 5.358 1.00 0.00 C ATOM 418 O GLY A 26 1.582 22.992 4.706 1.00 0.00 O ATOM 0 H GLY A 26 4.105 22.539 6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.712 24.049 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.243 24.643 6.891 1.00 0.00 H new ATOM 422 N THR A 27 1.692 25.244 4.909 1.00 0.00 N ATOM 423 CA THR A 27 1.149 25.629 3.590 1.00 0.00 C ATOM 424 C THR A 27 1.971 26.773 2.989 1.00 0.00 C ATOM 425 O THR A 27 3.002 27.165 3.536 1.00 0.00 O ATOM 426 CB THR A 27 -0.340 26.009 3.709 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.462 27.144 4.529 1.00 0.00 O ATOM 428 CG2 THR A 27 -1.202 24.890 4.301 1.00 0.00 C ATOM 0 H THR A 27 1.927 26.056 5.480 1.00 0.00 H new ATOM 0 HA THR A 27 1.221 24.775 2.917 1.00 0.00 H new ATOM 0 HB THR A 27 -0.698 26.201 2.698 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.407 27.391 4.607 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.239 25.221 4.358 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.137 24.006 3.666 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.844 24.645 5.301 1.00 0.00 H new ATOM 436 N LYS A 28 1.542 27.319 1.847 1.00 0.00 N ATOM 437 CA LYS A 28 2.150 28.530 1.263 1.00 0.00 C ATOM 438 C LYS A 28 1.643 29.823 1.935 1.00 0.00 C ATOM 439 O LYS A 28 2.376 30.808 2.026 1.00 0.00 O ATOM 440 CB LYS A 28 1.890 28.515 -0.253 1.00 0.00 C ATOM 441 CG LYS A 28 2.876 29.424 -1.004 1.00 0.00 C ATOM 442 CD LYS A 28 2.663 29.340 -2.522 1.00 0.00 C ATOM 443 CE LYS A 28 3.777 30.092 -3.261 1.00 0.00 C ATOM 444 NZ LYS A 28 3.595 30.008 -4.733 1.00 0.00 N ATOM 0 H LYS A 28 0.769 26.941 1.300 1.00 0.00 H new ATOM 0 HA LYS A 28 3.225 28.521 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.976 27.495 -0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.869 28.842 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.749 30.455 -0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.898 29.135 -0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.650 28.296 -2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.694 29.764 -2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.782 31.137 -2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.746 29.674 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.524 30.027 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.105 29.122 -4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.028 30.816 -5.059 1.00 0.00 H new ATOM 458 N ASP A 29 0.405 29.805 2.449 1.00 0.00 N ATOM 459 CA ASP A 29 -0.191 30.898 3.232 1.00 0.00 C ATOM 460 C ASP A 29 0.406 30.983 4.650 1.00 0.00 C ATOM 461 O ASP A 29 0.594 32.083 5.175 1.00 0.00 O ATOM 462 CB ASP A 29 -1.710 30.678 3.293 1.00 0.00 C ATOM 463 CG ASP A 29 -2.429 31.824 4.022 1.00 0.00 C ATOM 464 OD1 ASP A 29 -2.518 32.938 3.453 1.00 0.00 O ATOM 465 OD2 ASP A 29 -2.923 31.602 5.154 1.00 0.00 O ATOM 0 H ASP A 29 -0.225 29.012 2.329 1.00 0.00 H new ATOM 0 HA ASP A 29 0.033 31.847 2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.104 30.588 2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.920 29.737 3.801 1.00 0.00 H new ATOM 470 N PHE A 30 0.754 29.829 5.243 1.00 0.00 N ATOM 471 CA PHE A 30 1.437 29.723 6.531 1.00 0.00 C ATOM 472 C PHE A 30 2.604 28.713 6.441 1.00 0.00 C ATOM 473 O PHE A 30 2.395 27.512 6.662 1.00 0.00 O ATOM 474 CB PHE A 30 0.420 29.352 7.624 1.00 0.00 C ATOM 475 CG PHE A 30 1.027 29.323 9.017 1.00 0.00 C ATOM 476 CD1 PHE A 30 1.333 30.529 9.676 1.00 0.00 C ATOM 477 CD2 PHE A 30 1.320 28.094 9.640 1.00 0.00 C ATOM 478 CE1 PHE A 30 1.929 30.505 10.951 1.00 0.00 C ATOM 479 CE2 PHE A 30 1.920 28.071 10.912 1.00 0.00 C ATOM 480 CZ PHE A 30 2.224 29.276 11.569 1.00 0.00 C ATOM 0 H PHE A 30 0.559 28.921 4.822 1.00 0.00 H new ATOM 0 HA PHE A 30 1.874 30.685 6.799 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.401 30.069 7.607 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.006 28.374 7.399 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.110 31.474 9.203 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.083 27.167 9.140 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.160 31.431 11.456 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.147 27.127 11.384 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.683 29.258 12.546 1.00 0.00 H new ATOM 490 N PRO A 31 3.830 29.173 6.121 1.00 0.00 N ATOM 491 CA PRO A 31 5.023 28.340 6.177 1.00 0.00 C ATOM 492 C PRO A 31 5.441 28.095 7.634 1.00 0.00 C ATOM 493 O PRO A 31 5.100 28.869 8.530 1.00 0.00 O ATOM 494 CB PRO A 31 6.089 29.095 5.375 1.00 0.00 C ATOM 495 CG PRO A 31 5.707 30.559 5.600 1.00 0.00 C ATOM 496 CD PRO A 31 4.178 30.515 5.669 1.00 0.00 C ATOM 0 HA PRO A 31 4.861 27.349 5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.095 28.879 5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.065 28.828 4.318 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.140 30.951 6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.055 31.196 4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.798 31.269 6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.738 30.724 4.694 1.00 0.00 H new ATOM 504 N GLN A 32 6.197 27.016 7.872 1.00 0.00 N ATOM 505 CA GLN A 32 6.633 26.645 9.222 1.00 0.00 C ATOM 506 C GLN A 32 7.807 27.532 9.665 1.00 0.00 C ATOM 507 O GLN A 32 8.823 27.638 8.970 1.00 0.00 O ATOM 508 CB GLN A 32 6.982 25.146 9.291 1.00 0.00 C ATOM 509 CG GLN A 32 5.797 24.224 8.938 1.00 0.00 C ATOM 510 CD GLN A 32 4.669 24.285 9.974 1.00 0.00 C ATOM 511 OE1 GLN A 32 3.618 24.866 9.750 1.00 0.00 O ATOM 512 NE2 GLN A 32 4.847 23.708 11.147 1.00 0.00 N ATOM 0 H GLN A 32 6.521 26.382 7.142 1.00 0.00 H new ATOM 0 HA GLN A 32 5.812 26.814 9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.808 24.941 8.610 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.331 24.908 10.296 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.403 24.504 7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.153 23.197 8.855 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.720 23.219 11.348 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.112 23.751 11.853 1.00 0.00 H new ATOM 521 N CYS A 33 7.649 28.183 10.822 1.00 0.00 N ATOM 522 CA CYS A 33 8.553 29.208 11.346 1.00 0.00 C ATOM 523 C CYS A 33 9.993 28.696 11.556 1.00 0.00 C ATOM 524 O CYS A 33 10.215 27.557 11.979 1.00 0.00 O ATOM 525 CB CYS A 33 7.956 29.767 12.650 1.00 0.00 C ATOM 526 SG CYS A 33 6.309 30.478 12.336 1.00 0.00 S ATOM 0 H CYS A 33 6.858 28.003 11.441 1.00 0.00 H new ATOM 0 HA CYS A 33 8.638 30.002 10.604 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.881 28.973 13.394 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.616 30.530 13.063 1.00 0.00 H new ATOM 0 HG CYS A 33 5.818 30.943 13.446 1.00 0.00 H new ATOM 532 N GLY A 34 10.974 29.566 11.290 1.00 0.00 N ATOM 533 CA GLY A 34 12.404 29.246 11.379 1.00 0.00 C ATOM 534 C GLY A 34 12.886 28.533 10.121 1.00 0.00 C ATOM 535 O GLY A 34 13.155 29.181 9.110 1.00 0.00 O ATOM 0 H GLY A 34 10.794 30.528 11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.977 30.162 11.523 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.585 28.616 12.250 1.00 0.00 H new ATOM 539 N PHE A 35 13.014 27.207 10.189 1.00 0.00 N ATOM 540 CA PHE A 35 13.631 26.358 9.164 1.00 0.00 C ATOM 541 C PHE A 35 12.946 26.464 7.792 1.00 0.00 C ATOM 542 O PHE A 35 13.554 26.957 6.840 1.00 0.00 O ATOM 543 CB PHE A 35 13.737 24.910 9.699 1.00 0.00 C ATOM 544 CG PHE A 35 12.513 24.357 10.420 1.00 0.00 C ATOM 545 CD1 PHE A 35 12.355 24.567 11.804 1.00 0.00 C ATOM 546 CD2 PHE A 35 11.533 23.633 9.715 1.00 0.00 C ATOM 547 CE1 PHE A 35 11.215 24.087 12.471 1.00 0.00 C ATOM 548 CE2 PHE A 35 10.383 23.166 10.378 1.00 0.00 C ATOM 549 CZ PHE A 35 10.222 23.396 11.756 1.00 0.00 C ATOM 0 H PHE A 35 12.678 26.672 10.990 1.00 0.00 H new ATOM 0 HA PHE A 35 14.640 26.722 8.972 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.964 24.253 8.860 1.00 0.00 H new ATOM 0 HB3 PHE A 35 14.586 24.860 10.381 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.115 25.100 12.356 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.664 23.435 8.661 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.102 24.249 13.533 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.623 22.630 9.828 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.337 23.042 12.264 1.00 0.00 H new ATOM 559 N SER A 36 11.683 26.059 7.657 1.00 0.00 N ATOM 560 CA SER A 36 11.013 26.064 6.347 1.00 0.00 C ATOM 561 C SER A 36 10.803 27.488 5.832 1.00 0.00 C ATOM 562 O SER A 36 11.030 27.739 4.651 1.00 0.00 O ATOM 563 CB SER A 36 9.675 25.326 6.388 1.00 0.00 C ATOM 564 OG SER A 36 9.859 23.996 6.839 1.00 0.00 O ATOM 0 H SER A 36 11.104 25.726 8.428 1.00 0.00 H new ATOM 0 HA SER A 36 11.674 25.536 5.659 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.984 25.849 7.049 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.224 25.321 5.396 1.00 0.00 H new ATOM 0 HG SER A 36 10.125 24.004 7.782 1.00 0.00 H new ATOM 570 N GLN A 37 10.486 28.437 6.724 1.00 0.00 N ATOM 571 CA GLN A 37 10.408 29.868 6.410 1.00 0.00 C ATOM 572 C GLN A 37 11.719 30.359 5.772 1.00 0.00 C ATOM 573 O GLN A 37 11.677 30.980 4.711 1.00 0.00 O ATOM 574 CB GLN A 37 10.065 30.642 7.697 1.00 0.00 C ATOM 575 CG GLN A 37 9.841 32.142 7.448 1.00 0.00 C ATOM 576 CD GLN A 37 9.450 32.871 8.737 1.00 0.00 C ATOM 577 OE1 GLN A 37 8.283 33.114 9.016 1.00 0.00 O ATOM 578 NE2 GLN A 37 10.398 33.228 9.582 1.00 0.00 N ATOM 0 H GLN A 37 10.273 28.227 7.699 1.00 0.00 H new ATOM 0 HA GLN A 37 9.620 30.045 5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.168 30.215 8.144 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.872 30.515 8.418 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.750 32.584 7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.058 32.275 6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.375 33.033 9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.154 33.699 10.453 1.00 0.00 H new ATOM 587 N THR A 38 12.877 30.002 6.349 1.00 0.00 N ATOM 588 CA THR A 38 14.206 30.297 5.791 1.00 0.00 C ATOM 589 C THR A 38 14.383 29.632 4.433 1.00 0.00 C ATOM 590 O THR A 38 14.760 30.305 3.482 1.00 0.00 O ATOM 591 CB THR A 38 15.325 29.900 6.770 1.00 0.00 C ATOM 592 OG1 THR A 38 15.176 30.647 7.955 1.00 0.00 O ATOM 593 CG2 THR A 38 16.720 30.201 6.218 1.00 0.00 C ATOM 0 H THR A 38 12.917 29.492 7.231 1.00 0.00 H new ATOM 0 HA THR A 38 14.278 31.374 5.642 1.00 0.00 H new ATOM 0 HB THR A 38 15.239 28.827 6.940 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.480 30.241 8.512 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.472 29.902 6.948 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.872 29.647 5.292 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.810 31.269 6.021 1.00 0.00 H new ATOM 601 N VAL A 39 14.054 28.345 4.309 1.00 0.00 N ATOM 602 CA VAL A 39 14.146 27.612 3.028 1.00 0.00 C ATOM 603 C VAL A 39 13.300 28.274 1.925 1.00 0.00 C ATOM 604 O VAL A 39 13.823 28.512 0.837 1.00 0.00 O ATOM 605 CB VAL A 39 13.782 26.116 3.193 1.00 0.00 C ATOM 606 CG1 VAL A 39 13.603 25.403 1.845 1.00 0.00 C ATOM 607 CG2 VAL A 39 14.869 25.386 3.995 1.00 0.00 C ATOM 0 H VAL A 39 13.717 27.776 5.085 1.00 0.00 H new ATOM 0 HA VAL A 39 15.188 27.662 2.712 1.00 0.00 H new ATOM 0 HB VAL A 39 12.831 26.086 3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.349 24.357 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.802 25.883 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.531 25.462 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 39 14.598 24.336 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 39 15.822 25.464 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.960 25.840 4.982 1.00 0.00 H new ATOM 617 N VAL A 40 12.026 28.604 2.181 1.00 0.00 N ATOM 618 CA VAL A 40 11.171 29.237 1.166 1.00 0.00 C ATOM 619 C VAL A 40 11.579 30.692 0.877 1.00 0.00 C ATOM 620 O VAL A 40 11.493 31.126 -0.271 1.00 0.00 O ATOM 621 CB VAL A 40 9.667 29.120 1.483 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.228 27.648 1.587 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.186 29.910 2.707 1.00 0.00 C ATOM 0 H VAL A 40 11.566 28.444 3.077 1.00 0.00 H new ATOM 0 HA VAL A 40 11.338 28.669 0.251 1.00 0.00 H new ATOM 0 HB VAL A 40 9.180 29.592 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.162 27.601 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.422 27.143 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.788 27.157 2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.115 29.758 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.715 29.563 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.386 30.971 2.557 1.00 0.00 H new ATOM 633 N GLN A 41 12.084 31.429 1.878 1.00 0.00 N ATOM 634 CA GLN A 41 12.659 32.766 1.700 1.00 0.00 C ATOM 635 C GLN A 41 13.912 32.719 0.816 1.00 0.00 C ATOM 636 O GLN A 41 14.052 33.563 -0.066 1.00 0.00 O ATOM 637 CB GLN A 41 12.961 33.366 3.088 1.00 0.00 C ATOM 638 CG GLN A 41 13.649 34.747 3.101 1.00 0.00 C ATOM 639 CD GLN A 41 12.789 35.916 2.604 1.00 0.00 C ATOM 640 OE1 GLN A 41 11.738 35.764 1.993 1.00 0.00 O ATOM 641 NE2 GLN A 41 13.203 37.141 2.850 1.00 0.00 N ATOM 0 H GLN A 41 12.104 31.107 2.846 1.00 0.00 H new ATOM 0 HA GLN A 41 11.942 33.406 1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.023 33.446 3.638 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.592 32.664 3.634 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.972 34.963 4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.547 34.692 2.486 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.075 37.292 3.357 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.652 37.939 2.534 1.00 0.00 H new ATOM 650 N ILE A 42 14.786 31.721 0.999 1.00 0.00 N ATOM 651 CA ILE A 42 15.990 31.500 0.176 1.00 0.00 C ATOM 652 C ILE A 42 15.622 31.285 -1.295 1.00 0.00 C ATOM 653 O ILE A 42 16.155 31.983 -2.153 1.00 0.00 O ATOM 654 CB ILE A 42 16.830 30.339 0.781 1.00 0.00 C ATOM 655 CG1 ILE A 42 17.663 30.884 1.960 1.00 0.00 C ATOM 656 CG2 ILE A 42 17.736 29.638 -0.251 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.377 29.806 2.787 1.00 0.00 C ATOM 0 H ILE A 42 14.677 31.027 1.739 1.00 0.00 H new ATOM 0 HA ILE A 42 16.616 32.392 0.192 1.00 0.00 H new ATOM 0 HB ILE A 42 16.135 29.575 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.408 31.579 1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.008 31.454 2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.294 28.839 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.122 29.218 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.434 30.361 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.938 30.278 3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.640 29.123 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.061 29.250 2.146 1.00 0.00 H new ATOM 669 N LEU A 43 14.685 30.374 -1.591 1.00 0.00 N ATOM 670 CA LEU A 43 14.236 30.090 -2.962 1.00 0.00 C ATOM 671 C LEU A 43 13.621 31.336 -3.609 1.00 0.00 C ATOM 672 O LEU A 43 14.052 31.774 -4.681 1.00 0.00 O ATOM 673 CB LEU A 43 13.220 28.929 -2.931 1.00 0.00 C ATOM 674 CG LEU A 43 13.817 27.553 -2.581 1.00 0.00 C ATOM 675 CD1 LEU A 43 12.665 26.559 -2.370 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.761 27.055 -3.687 1.00 0.00 C ATOM 0 H LEU A 43 14.215 29.810 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 43 15.096 29.801 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.442 29.166 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.737 28.862 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 43 14.407 27.641 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.071 25.579 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.030 26.906 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.075 26.486 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.165 26.082 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.209 26.965 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.578 27.765 -3.814 1.00 0.00 H new ATOM 688 N LYS A 44 12.655 31.958 -2.919 1.00 0.00 N ATOM 689 CA LYS A 44 12.018 33.192 -3.377 1.00 0.00 C ATOM 690 C LYS A 44 13.077 34.246 -3.738 1.00 0.00 C ATOM 691 O LYS A 44 13.121 34.679 -4.889 1.00 0.00 O ATOM 692 CB LYS A 44 11.013 33.659 -2.310 1.00 0.00 C ATOM 693 CG LYS A 44 10.216 34.892 -2.774 1.00 0.00 C ATOM 694 CD LYS A 44 8.959 35.133 -1.923 1.00 0.00 C ATOM 695 CE LYS A 44 9.225 35.282 -0.414 1.00 0.00 C ATOM 696 NZ LYS A 44 9.934 36.549 -0.079 1.00 0.00 N ATOM 0 H LYS A 44 12.296 31.616 -2.028 1.00 0.00 H new ATOM 0 HA LYS A 44 11.457 33.019 -4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.324 32.847 -2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.545 33.896 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.856 35.773 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.926 34.762 -3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.461 36.034 -2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.268 34.304 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.277 35.247 0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.818 34.436 -0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.609 36.375 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.446 36.892 -0.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.242 37.265 0.221 1.00 0.00 H new ATOM 710 N SER A 45 13.969 34.566 -2.791 1.00 0.00 N ATOM 711 CA SER A 45 14.993 35.626 -2.883 1.00 0.00 C ATOM 712 C SER A 45 16.107 35.345 -3.906 1.00 0.00 C ATOM 713 O SER A 45 16.624 36.284 -4.517 1.00 0.00 O ATOM 714 CB SER A 45 15.658 35.867 -1.514 1.00 0.00 C ATOM 715 OG SER A 45 14.706 36.095 -0.486 1.00 0.00 O ATOM 0 H SER A 45 14.001 34.074 -1.898 1.00 0.00 H new ATOM 0 HA SER A 45 14.446 36.506 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.271 35.004 -1.253 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.327 36.725 -1.583 1.00 0.00 H new ATOM 0 HG SER A 45 14.417 35.237 -0.111 1.00 0.00 H new ATOM 721 N LEU A 46 16.454 34.068 -4.131 1.00 0.00 N ATOM 722 CA LEU A 46 17.339 33.635 -5.220 1.00 0.00 C ATOM 723 C LEU A 46 16.752 34.039 -6.585 1.00 0.00 C ATOM 724 O LEU A 46 17.508 34.372 -7.498 1.00 0.00 O ATOM 725 CB LEU A 46 17.524 32.111 -5.088 1.00 0.00 C ATOM 726 CG LEU A 46 18.276 31.422 -6.242 1.00 0.00 C ATOM 727 CD1 LEU A 46 19.702 31.963 -6.425 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.319 29.916 -5.965 1.00 0.00 C ATOM 0 H LEU A 46 16.122 33.297 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 46 18.312 34.122 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.058 31.908 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.540 31.652 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 46 17.741 31.632 -7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.185 31.442 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.661 33.030 -6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.273 31.801 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.849 29.412 -6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.837 29.734 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.302 29.529 -5.901 1.00 0.00 H new ATOM 740 N ASN A 47 15.416 34.018 -6.672 1.00 0.00 N ATOM 741 CA ASN A 47 14.512 34.525 -7.721 1.00 0.00 C ATOM 742 C ASN A 47 13.721 33.358 -8.329 1.00 0.00 C ATOM 743 O ASN A 47 13.773 33.117 -9.538 1.00 0.00 O ATOM 744 CB ASN A 47 15.180 35.443 -8.771 1.00 0.00 C ATOM 745 CG ASN A 47 14.174 36.151 -9.683 1.00 0.00 C ATOM 746 OD1 ASN A 47 12.988 36.266 -9.393 1.00 0.00 O ATOM 747 ND2 ASN A 47 14.628 36.657 -10.817 1.00 0.00 N ATOM 0 H ASN A 47 14.875 33.594 -5.919 1.00 0.00 H new ATOM 0 HA ASN A 47 13.808 35.203 -7.238 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.784 36.191 -8.258 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.860 34.850 -9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.992 37.142 -11.450 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.614 36.562 -11.059 1.00 0.00 H new ATOM 754 N ALA A 48 13.043 32.587 -7.468 1.00 0.00 N ATOM 755 CA ALA A 48 12.415 31.318 -7.869 1.00 0.00 C ATOM 756 C ALA A 48 11.000 31.125 -7.281 1.00 0.00 C ATOM 757 O ALA A 48 10.801 31.408 -6.096 1.00 0.00 O ATOM 758 CB ALA A 48 13.343 30.150 -7.492 1.00 0.00 C ATOM 0 H ALA A 48 12.914 32.821 -6.484 1.00 0.00 H new ATOM 0 HA ALA A 48 12.278 31.344 -8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.881 29.208 -7.788 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.297 30.263 -8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.509 30.150 -6.415 1.00 0.00 H new ATOM 764 N PRO A 49 10.024 30.624 -8.073 1.00 0.00 N ATOM 765 CA PRO A 49 8.677 30.329 -7.607 1.00 0.00 C ATOM 766 C PRO A 49 8.658 28.970 -6.892 1.00 0.00 C ATOM 767 O PRO A 49 8.435 27.925 -7.505 1.00 0.00 O ATOM 768 CB PRO A 49 7.803 30.373 -8.865 1.00 0.00 C ATOM 769 CG PRO A 49 8.742 29.879 -9.965 1.00 0.00 C ATOM 770 CD PRO A 49 10.113 30.381 -9.511 1.00 0.00 C ATOM 0 HA PRO A 49 8.304 31.041 -6.871 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.926 29.733 -8.768 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.441 31.381 -9.068 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.721 28.793 -10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.468 30.284 -10.939 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.886 29.644 -9.731 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.384 31.294 -10.040 1.00 0.00 H new ATOM 778 N PHE A 50 8.895 28.986 -5.577 1.00 0.00 N ATOM 779 CA PHE A 50 8.711 27.811 -4.721 1.00 0.00 C ATOM 780 C PHE A 50 7.214 27.478 -4.561 1.00 0.00 C ATOM 781 O PHE A 50 6.361 28.369 -4.597 1.00 0.00 O ATOM 782 CB PHE A 50 9.381 28.045 -3.352 1.00 0.00 C ATOM 783 CG PHE A 50 8.555 28.877 -2.385 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.622 30.282 -2.433 1.00 0.00 C ATOM 785 CD2 PHE A 50 7.673 28.246 -1.485 1.00 0.00 C ATOM 786 CE1 PHE A 50 7.792 31.051 -1.600 1.00 0.00 C ATOM 787 CE2 PHE A 50 6.832 29.020 -0.664 1.00 0.00 C ATOM 788 CZ PHE A 50 6.886 30.425 -0.727 1.00 0.00 C ATOM 0 H PHE A 50 9.220 29.813 -5.076 1.00 0.00 H new ATOM 0 HA PHE A 50 9.189 26.953 -5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.591 27.079 -2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.340 28.538 -3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.310 30.768 -3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.642 27.168 -1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.851 32.129 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.145 28.536 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.233 31.020 -0.106 1.00 0.00 H new ATOM 798 N GLU A 51 6.894 26.205 -4.312 1.00 0.00 N ATOM 799 CA GLU A 51 5.543 25.785 -3.923 1.00 0.00 C ATOM 800 C GLU A 51 5.593 24.911 -2.662 1.00 0.00 C ATOM 801 O GLU A 51 6.226 23.855 -2.638 1.00 0.00 O ATOM 802 CB GLU A 51 4.844 25.041 -5.074 1.00 0.00 C ATOM 803 CG GLU A 51 4.750 25.824 -6.398 1.00 0.00 C ATOM 804 CD GLU A 51 3.949 27.134 -6.316 1.00 0.00 C ATOM 805 OE1 GLU A 51 3.103 27.309 -5.405 1.00 0.00 O ATOM 806 OE2 GLU A 51 4.141 28.012 -7.191 1.00 0.00 O ATOM 0 H GLU A 51 7.562 25.437 -4.374 1.00 0.00 H new ATOM 0 HA GLU A 51 4.961 26.679 -3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.376 24.108 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.836 24.775 -4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.759 26.052 -6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.294 25.182 -7.152 1.00 0.00 H new ATOM 813 N SER A 52 4.908 25.333 -1.597 1.00 0.00 N ATOM 814 CA SER A 52 4.727 24.515 -0.393 1.00 0.00 C ATOM 815 C SER A 52 3.721 23.382 -0.665 1.00 0.00 C ATOM 816 O SER A 52 2.556 23.646 -0.978 1.00 0.00 O ATOM 817 CB SER A 52 4.204 25.362 0.775 1.00 0.00 C ATOM 818 OG SER A 52 5.109 26.387 1.146 1.00 0.00 O ATOM 0 H SER A 52 4.463 26.249 -1.544 1.00 0.00 H new ATOM 0 HA SER A 52 5.699 24.098 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.248 25.807 0.498 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.018 24.717 1.634 1.00 0.00 H new ATOM 0 HG SER A 52 4.907 26.688 2.057 1.00 0.00 H new ATOM 824 N VAL A 53 4.142 22.125 -0.504 1.00 0.00 N ATOM 825 CA VAL A 53 3.270 20.939 -0.559 1.00 0.00 C ATOM 826 C VAL A 53 2.925 20.536 0.876 1.00 0.00 C ATOM 827 O VAL A 53 3.814 20.207 1.659 1.00 0.00 O ATOM 828 CB VAL A 53 3.932 19.767 -1.318 1.00 0.00 C ATOM 829 CG1 VAL A 53 2.997 18.545 -1.378 1.00 0.00 C ATOM 830 CG2 VAL A 53 4.311 20.163 -2.758 1.00 0.00 C ATOM 0 H VAL A 53 5.120 21.894 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 53 2.363 21.186 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 53 4.837 19.513 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.489 17.736 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.763 18.216 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.076 18.817 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.774 19.313 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.414 20.461 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.014 20.996 -2.733 1.00 0.00 H new ATOM 840 N ASN A 54 1.632 20.567 1.207 1.00 0.00 N ATOM 841 CA ASN A 54 1.112 20.169 2.515 1.00 0.00 C ATOM 842 C ASN A 54 1.111 18.637 2.668 1.00 0.00 C ATOM 843 O ASN A 54 0.461 17.930 1.893 1.00 0.00 O ATOM 844 CB ASN A 54 -0.296 20.760 2.681 1.00 0.00 C ATOM 845 CG ASN A 54 -0.934 20.337 3.999 1.00 0.00 C ATOM 846 OD1 ASN A 54 -1.791 19.464 4.034 1.00 0.00 O ATOM 847 ND2 ASN A 54 -0.526 20.922 5.107 1.00 0.00 N ATOM 0 H ASN A 54 0.905 20.875 0.561 1.00 0.00 H new ATOM 0 HA ASN A 54 1.757 20.557 3.303 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.242 21.848 2.636 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.926 20.438 1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.925 20.648 6.005 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.189 21.648 5.067 1.00 0.00 H new ATOM 854 N ILE A 55 1.837 18.128 3.667 1.00 0.00 N ATOM 855 CA ILE A 55 1.985 16.690 3.966 1.00 0.00 C ATOM 856 C ILE A 55 1.648 16.366 5.434 1.00 0.00 C ATOM 857 O ILE A 55 1.344 17.258 6.231 1.00 0.00 O ATOM 858 CB ILE A 55 3.400 16.187 3.577 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.518 16.737 4.485 1.00 0.00 C ATOM 860 CG2 ILE A 55 3.716 16.516 2.105 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.737 15.817 4.540 1.00 0.00 C ATOM 0 H ILE A 55 2.357 18.720 4.315 1.00 0.00 H new ATOM 0 HA ILE A 55 1.260 16.152 3.355 1.00 0.00 H new ATOM 0 HB ILE A 55 3.378 15.106 3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.824 17.719 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.127 16.876 5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.713 16.153 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.983 16.033 1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.675 17.595 1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.493 16.253 5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.440 14.843 4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.149 15.698 3.538 1.00 0.00 H new ATOM 873 N LEU A 56 1.739 15.077 5.796 1.00 0.00 N ATOM 874 CA LEU A 56 1.687 14.516 7.160 1.00 0.00 C ATOM 875 C LEU A 56 0.256 14.445 7.709 1.00 0.00 C ATOM 876 O LEU A 56 -0.182 13.370 8.113 1.00 0.00 O ATOM 877 CB LEU A 56 2.654 15.283 8.107 1.00 0.00 C ATOM 878 CG LEU A 56 3.551 14.417 9.016 1.00 0.00 C ATOM 879 CD1 LEU A 56 2.750 13.422 9.869 1.00 0.00 C ATOM 880 CD2 LEU A 56 4.633 13.698 8.196 1.00 0.00 C ATOM 0 H LEU A 56 1.859 14.345 5.096 1.00 0.00 H new ATOM 0 HA LEU A 56 2.032 13.483 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.297 15.919 7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.061 15.943 8.740 1.00 0.00 H new ATOM 0 HG LEU A 56 4.040 15.098 9.713 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.433 12.841 10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.056 13.967 10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.191 12.751 9.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.252 13.094 8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.160 13.053 7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.256 14.435 7.690 1.00 0.00 H new ATOM 892 N GLU A 57 -0.491 15.549 7.677 1.00 0.00 N ATOM 893 CA GLU A 57 -1.896 15.602 8.115 1.00 0.00 C ATOM 894 C GLU A 57 -2.842 14.790 7.205 1.00 0.00 C ATOM 895 O GLU A 57 -3.898 14.327 7.639 1.00 0.00 O ATOM 896 CB GLU A 57 -2.356 17.067 8.237 1.00 0.00 C ATOM 897 CG GLU A 57 -2.361 17.856 6.919 1.00 0.00 C ATOM 898 CD GLU A 57 -2.903 19.274 7.145 1.00 0.00 C ATOM 899 OE1 GLU A 57 -4.140 19.469 7.072 1.00 0.00 O ATOM 900 OE2 GLU A 57 -2.101 20.197 7.420 1.00 0.00 O ATOM 0 H GLU A 57 -0.138 16.446 7.343 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.948 15.130 9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.362 17.083 8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.706 17.579 8.947 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.350 17.907 6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.974 17.339 6.181 1.00 0.00 H new ATOM 907 N ASN A 58 -2.444 14.600 5.943 1.00 0.00 N ATOM 908 CA ASN A 58 -3.118 13.830 4.899 1.00 0.00 C ATOM 909 C ASN A 58 -2.409 12.477 4.679 1.00 0.00 C ATOM 910 O ASN A 58 -1.270 12.415 4.215 1.00 0.00 O ATOM 911 CB ASN A 58 -3.219 14.692 3.616 1.00 0.00 C ATOM 912 CG ASN A 58 -1.952 15.461 3.210 1.00 0.00 C ATOM 913 OD1 ASN A 58 -0.880 15.326 3.785 1.00 0.00 O ATOM 914 ND2 ASN A 58 -2.040 16.316 2.208 1.00 0.00 N ATOM 0 H ASN A 58 -1.576 15.013 5.601 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.135 13.584 5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.504 14.042 2.789 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.027 15.411 3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.221 16.853 1.923 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.927 16.439 1.719 1.00 0.00 H new ATOM 921 N GLU A 59 -3.089 11.370 5.000 1.00 0.00 N ATOM 922 CA GLU A 59 -2.494 10.022 5.056 1.00 0.00 C ATOM 923 C GLU A 59 -2.017 9.498 3.692 1.00 0.00 C ATOM 924 O GLU A 59 -1.061 8.723 3.635 1.00 0.00 O ATOM 925 CB GLU A 59 -3.492 9.032 5.682 1.00 0.00 C ATOM 926 CG GLU A 59 -3.766 9.330 7.162 1.00 0.00 C ATOM 927 CD GLU A 59 -4.729 8.297 7.763 1.00 0.00 C ATOM 928 OE1 GLU A 59 -5.965 8.469 7.636 1.00 0.00 O ATOM 929 OE2 GLU A 59 -4.259 7.306 8.372 1.00 0.00 O ATOM 0 H GLU A 59 -4.082 11.382 5.232 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.603 10.106 5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.430 9.068 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.103 8.019 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.828 9.324 7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.190 10.329 7.263 1.00 0.00 H new ATOM 936 N LEU A 60 -2.642 9.930 2.587 1.00 0.00 N ATOM 937 CA LEU A 60 -2.233 9.548 1.233 1.00 0.00 C ATOM 938 C LEU A 60 -0.834 10.079 0.914 1.00 0.00 C ATOM 939 O LEU A 60 0.042 9.303 0.544 1.00 0.00 O ATOM 940 CB LEU A 60 -3.281 10.050 0.215 1.00 0.00 C ATOM 941 CG LEU A 60 -4.654 9.349 0.298 1.00 0.00 C ATOM 942 CD1 LEU A 60 -5.601 9.991 -0.726 1.00 0.00 C ATOM 943 CD2 LEU A 60 -4.557 7.839 0.028 1.00 0.00 C ATOM 0 H LEU A 60 -3.447 10.556 2.610 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.183 8.461 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.426 11.120 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.882 9.918 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.034 9.474 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.575 9.504 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.714 11.052 -0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.187 9.874 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.549 7.392 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.154 7.673 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.899 7.379 0.765 1.00 0.00 H new ATOM 955 N LEU A 61 -0.590 11.375 1.137 1.00 0.00 N ATOM 956 CA LEU A 61 0.728 11.998 0.933 1.00 0.00 C ATOM 957 C LEU A 61 1.756 11.435 1.924 1.00 0.00 C ATOM 958 O LEU A 61 2.881 11.142 1.527 1.00 0.00 O ATOM 959 CB LEU A 61 0.621 13.534 1.071 1.00 0.00 C ATOM 960 CG LEU A 61 0.039 14.328 -0.119 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.937 14.231 -1.361 1.00 0.00 C ATOM 962 CD2 LEU A 61 -1.398 13.925 -0.475 1.00 0.00 C ATOM 0 H LEU A 61 -1.303 12.027 1.466 1.00 0.00 H new ATOM 0 HA LEU A 61 1.068 11.763 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.010 13.749 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.619 13.922 1.275 1.00 0.00 H new ATOM 0 HG LEU A 61 0.008 15.365 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.493 14.803 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.923 14.634 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.033 13.187 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.745 14.522 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.424 12.869 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.048 14.098 0.383 1.00 0.00 H new ATOM 974 N ARG A 62 1.351 11.214 3.184 1.00 0.00 N ATOM 975 CA ARG A 62 2.188 10.608 4.234 1.00 0.00 C ATOM 976 C ARG A 62 2.771 9.248 3.798 1.00 0.00 C ATOM 977 O ARG A 62 3.955 8.984 4.009 1.00 0.00 O ATOM 978 CB ARG A 62 1.348 10.454 5.520 1.00 0.00 C ATOM 979 CG ARG A 62 2.215 10.210 6.765 1.00 0.00 C ATOM 980 CD ARG A 62 1.415 9.647 7.951 1.00 0.00 C ATOM 981 NE ARG A 62 0.372 10.574 8.431 1.00 0.00 N ATOM 982 CZ ARG A 62 -0.549 10.316 9.355 1.00 0.00 C ATOM 983 NH1 ARG A 62 -0.658 9.136 9.930 1.00 0.00 N ATOM 984 NH2 ARG A 62 -1.382 11.271 9.701 1.00 0.00 N ATOM 0 H ARG A 62 0.415 11.456 3.509 1.00 0.00 H new ATOM 0 HA ARG A 62 3.036 11.266 4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.750 11.353 5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.652 9.624 5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.017 9.516 6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.686 11.147 7.063 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.950 8.706 7.656 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.098 9.421 8.770 1.00 0.00 H new ATOM 0 HE ARG A 62 0.356 11.504 8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.023 8.382 9.670 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.378 8.977 10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.315 12.190 9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.096 11.094 10.408 1.00 0.00 H new ATOM 998 N GLN A 63 1.947 8.390 3.186 1.00 0.00 N ATOM 999 CA GLN A 63 2.349 7.055 2.712 1.00 0.00 C ATOM 1000 C GLN A 63 3.049 7.109 1.344 1.00 0.00 C ATOM 1001 O GLN A 63 4.054 6.427 1.143 1.00 0.00 O ATOM 1002 CB GLN A 63 1.098 6.160 2.647 1.00 0.00 C ATOM 1003 CG GLN A 63 0.573 5.800 4.050 1.00 0.00 C ATOM 1004 CD GLN A 63 -0.811 5.149 3.994 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -0.979 3.944 4.125 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -1.853 5.930 3.778 1.00 0.00 N ATOM 0 H GLN A 63 0.967 8.604 3.002 1.00 0.00 H new ATOM 0 HA GLN A 63 3.074 6.641 3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.315 6.671 2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.334 5.246 2.103 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.274 5.121 4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.526 6.701 4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.722 6.936 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.789 5.528 3.722 1.00 0.00 H new ATOM 1015 N GLY A 64 2.546 7.922 0.405 1.00 0.00 N ATOM 1016 CA GLY A 64 3.015 7.958 -0.986 1.00 0.00 C ATOM 1017 C GLY A 64 4.384 8.604 -1.156 1.00 0.00 C ATOM 1018 O GLY A 64 5.213 8.068 -1.888 1.00 0.00 O ATOM 0 H GLY A 64 1.792 8.582 0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.053 6.940 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.289 8.502 -1.591 1.00 0.00 H new ATOM 1022 N LEU A 65 4.654 9.724 -0.475 1.00 0.00 N ATOM 1023 CA LEU A 65 5.917 10.458 -0.640 1.00 0.00 C ATOM 1024 C LEU A 65 7.131 9.706 -0.092 1.00 0.00 C ATOM 1025 O LEU A 65 8.231 9.889 -0.610 1.00 0.00 O ATOM 1026 CB LEU A 65 5.807 11.854 -0.006 1.00 0.00 C ATOM 1027 CG LEU A 65 4.908 12.834 -0.785 1.00 0.00 C ATOM 1028 CD1 LEU A 65 4.741 14.095 0.061 1.00 0.00 C ATOM 1029 CD2 LEU A 65 5.514 13.217 -2.143 1.00 0.00 C ATOM 0 H LEU A 65 4.013 10.144 0.198 1.00 0.00 H new ATOM 0 HA LEU A 65 6.083 10.559 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.419 11.751 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.806 12.283 0.077 1.00 0.00 H new ATOM 0 HG LEU A 65 3.951 12.350 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.108 14.807 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.278 13.836 1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.718 14.543 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.847 13.909 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.482 13.694 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.644 12.321 -2.749 1.00 0.00 H new ATOM 1041 N LYS A 66 6.959 8.814 0.887 1.00 0.00 N ATOM 1042 CA LYS A 66 8.040 7.950 1.379 1.00 0.00 C ATOM 1043 C LYS A 66 8.598 7.052 0.255 1.00 0.00 C ATOM 1044 O LYS A 66 9.816 6.965 0.078 1.00 0.00 O ATOM 1045 CB LYS A 66 7.499 7.149 2.578 1.00 0.00 C ATOM 1046 CG LYS A 66 8.595 6.326 3.276 1.00 0.00 C ATOM 1047 CD LYS A 66 8.041 5.604 4.512 1.00 0.00 C ATOM 1048 CE LYS A 66 9.150 4.786 5.188 1.00 0.00 C ATOM 1049 NZ LYS A 66 8.648 4.052 6.381 1.00 0.00 N ATOM 0 H LYS A 66 6.068 8.669 1.362 1.00 0.00 H new ATOM 0 HA LYS A 66 8.887 8.550 1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.050 7.835 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.708 6.481 2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.006 5.596 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.414 6.982 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.635 6.331 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.220 4.948 4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.565 4.076 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.962 5.450 5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.427 3.512 6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.275 4.731 7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.891 3.399 6.094 1.00 0.00 H new ATOM 1063 N GLU A 67 7.713 6.454 -0.553 1.00 0.00 N ATOM 1064 CA GLU A 67 8.090 5.682 -1.744 1.00 0.00 C ATOM 1065 C GLU A 67 8.578 6.607 -2.876 1.00 0.00 C ATOM 1066 O GLU A 67 9.620 6.348 -3.476 1.00 0.00 O ATOM 1067 CB GLU A 67 6.895 4.827 -2.206 1.00 0.00 C ATOM 1068 CG GLU A 67 7.295 3.835 -3.311 1.00 0.00 C ATOM 1069 CD GLU A 67 6.091 3.020 -3.806 1.00 0.00 C ATOM 1070 OE1 GLU A 67 5.669 2.071 -3.102 1.00 0.00 O ATOM 1071 OE2 GLU A 67 5.582 3.313 -4.916 1.00 0.00 O ATOM 0 H GLU A 67 6.706 6.493 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 67 8.918 5.022 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.490 4.279 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.102 5.479 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.734 4.379 -4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.062 3.159 -2.933 1.00 0.00 H new ATOM 1078 N TYR A 68 7.854 7.701 -3.152 1.00 0.00 N ATOM 1079 CA TYR A 68 8.137 8.600 -4.280 1.00 0.00 C ATOM 1080 C TYR A 68 9.504 9.304 -4.156 1.00 0.00 C ATOM 1081 O TYR A 68 10.225 9.446 -5.143 1.00 0.00 O ATOM 1082 CB TYR A 68 6.997 9.628 -4.396 1.00 0.00 C ATOM 1083 CG TYR A 68 6.848 10.258 -5.766 1.00 0.00 C ATOM 1084 CD1 TYR A 68 6.008 9.657 -6.722 1.00 0.00 C ATOM 1085 CD2 TYR A 68 7.527 11.451 -6.087 1.00 0.00 C ATOM 1086 CE1 TYR A 68 5.853 10.230 -8.000 1.00 0.00 C ATOM 1087 CE2 TYR A 68 7.382 12.027 -7.362 1.00 0.00 C ATOM 1088 CZ TYR A 68 6.547 11.417 -8.325 1.00 0.00 C ATOM 1089 OH TYR A 68 6.415 11.973 -9.561 1.00 0.00 O ATOM 0 H TYR A 68 7.050 7.989 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 68 8.192 7.998 -5.187 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.059 9.141 -4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.163 10.418 -3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.478 8.749 -6.474 1.00 0.00 H new ATOM 0 HD2 TYR A 68 8.161 11.924 -5.352 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.206 9.764 -8.728 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.910 12.937 -7.605 1.00 0.00 H new ATOM 0 HH TYR A 68 6.960 12.786 -9.614 1.00 0.00 H new ATOM 1099 N SER A 69 9.874 9.726 -2.941 1.00 0.00 N ATOM 1100 CA SER A 69 11.152 10.403 -2.671 1.00 0.00 C ATOM 1101 C SER A 69 12.312 9.454 -2.335 1.00 0.00 C ATOM 1102 O SER A 69 13.453 9.745 -2.695 1.00 0.00 O ATOM 1103 CB SER A 69 10.997 11.440 -1.546 1.00 0.00 C ATOM 1104 OG SER A 69 10.673 10.862 -0.289 1.00 0.00 O ATOM 0 H SER A 69 9.293 9.608 -2.111 1.00 0.00 H new ATOM 0 HA SER A 69 11.414 10.896 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.925 12.004 -1.450 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.219 12.152 -1.822 1.00 0.00 H new ATOM 0 HG SER A 69 9.814 10.394 -0.356 1.00 0.00 H new ATOM 1110 N SER A 70 12.055 8.346 -1.627 1.00 0.00 N ATOM 1111 CA SER A 70 13.023 7.403 -1.014 1.00 0.00 C ATOM 1112 C SER A 70 13.896 8.022 0.109 1.00 0.00 C ATOM 1113 O SER A 70 14.376 7.303 0.989 1.00 0.00 O ATOM 1114 CB SER A 70 13.892 6.696 -2.075 1.00 0.00 C ATOM 1115 OG SER A 70 14.851 7.553 -2.672 1.00 0.00 O ATOM 0 H SER A 70 11.093 8.056 -1.450 1.00 0.00 H new ATOM 0 HA SER A 70 12.405 6.651 -0.523 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.405 5.853 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.245 6.288 -2.852 1.00 0.00 H new ATOM 0 HG SER A 70 14.622 8.486 -2.477 1.00 0.00 H new ATOM 1121 N TRP A 71 14.072 9.348 0.116 1.00 0.00 N ATOM 1122 CA TRP A 71 14.783 10.110 1.140 1.00 0.00 C ATOM 1123 C TRP A 71 14.028 10.075 2.492 1.00 0.00 C ATOM 1124 O TRP A 71 12.821 10.353 2.516 1.00 0.00 O ATOM 1125 CB TRP A 71 14.960 11.550 0.638 1.00 0.00 C ATOM 1126 CG TRP A 71 15.747 12.446 1.546 1.00 0.00 C ATOM 1127 CD1 TRP A 71 15.283 13.007 2.684 1.00 0.00 C ATOM 1128 CD2 TRP A 71 17.140 12.882 1.432 1.00 0.00 C ATOM 1129 NE1 TRP A 71 16.287 13.719 3.303 1.00 0.00 N ATOM 1130 CE2 TRP A 71 17.457 13.676 2.578 1.00 0.00 C ATOM 1131 CE3 TRP A 71 18.174 12.681 0.489 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 18.726 14.229 2.784 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 19.453 13.244 0.682 1.00 0.00 C ATOM 1134 CH2 TRP A 71 19.733 14.013 1.828 1.00 0.00 C ATOM 0 H TRP A 71 13.705 9.943 -0.627 1.00 0.00 H new ATOM 0 HA TRP A 71 15.761 9.662 1.316 1.00 0.00 H new ATOM 0 HB2 TRP A 71 15.451 11.522 -0.335 1.00 0.00 H new ATOM 0 HB3 TRP A 71 13.974 11.989 0.485 1.00 0.00 H new ATOM 0 HD1 TRP A 71 14.273 12.911 3.054 1.00 0.00 H new ATOM 0 HE1 TRP A 71 16.177 14.216 4.187 1.00 0.00 H new ATOM 0 HE3 TRP A 71 17.982 12.087 -0.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 18.929 14.815 3.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 20.225 13.084 -0.056 1.00 0.00 H new ATOM 0 HH2 TRP A 71 20.717 14.435 1.971 1.00 0.00 H new ATOM 1145 N PRO A 72 14.702 9.756 3.619 1.00 0.00 N ATOM 1146 CA PRO A 72 14.059 9.661 4.925 1.00 0.00 C ATOM 1147 C PRO A 72 13.838 11.048 5.549 1.00 0.00 C ATOM 1148 O PRO A 72 14.737 11.889 5.531 1.00 0.00 O ATOM 1149 CB PRO A 72 15.003 8.800 5.770 1.00 0.00 C ATOM 1150 CG PRO A 72 16.386 9.125 5.198 1.00 0.00 C ATOM 1151 CD PRO A 72 16.101 9.353 3.713 1.00 0.00 C ATOM 0 HA PRO A 72 13.065 9.219 4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.937 9.051 6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.769 7.739 5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.818 10.009 5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 72 17.089 8.306 5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.755 10.124 3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 72 16.283 8.445 3.139 1.00 0.00 H new ATOM 1159 N THR A 73 12.645 11.245 6.135 1.00 0.00 N ATOM 1160 CA THR A 73 12.201 12.385 6.972 1.00 0.00 C ATOM 1161 C THR A 73 11.845 13.657 6.186 1.00 0.00 C ATOM 1162 O THR A 73 12.166 13.814 5.003 1.00 0.00 O ATOM 1163 CB THR A 73 13.130 12.696 8.166 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.311 13.308 7.722 1.00 0.00 O ATOM 1165 CG2 THR A 73 13.492 11.454 8.983 1.00 0.00 C ATOM 0 H THR A 73 11.900 10.556 6.030 1.00 0.00 H new ATOM 0 HA THR A 73 11.265 12.022 7.396 1.00 0.00 H new ATOM 0 HB THR A 73 12.572 13.370 8.816 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.505 13.019 6.806 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.146 11.739 9.807 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.583 11.002 9.381 1.00 0.00 H new ATOM 0 HG23 THR A 73 14.005 10.735 8.344 1.00 0.00 H new ATOM 1173 N PHE A 74 11.162 14.566 6.892 1.00 0.00 N ATOM 1174 CA PHE A 74 10.643 15.853 6.415 1.00 0.00 C ATOM 1175 C PHE A 74 10.798 16.947 7.507 1.00 0.00 C ATOM 1176 O PHE A 74 10.934 16.588 8.684 1.00 0.00 O ATOM 1177 CB PHE A 74 9.165 15.658 6.033 1.00 0.00 C ATOM 1178 CG PHE A 74 8.934 14.732 4.848 1.00 0.00 C ATOM 1179 CD1 PHE A 74 9.005 15.243 3.540 1.00 0.00 C ATOM 1180 CD2 PHE A 74 8.642 13.367 5.049 1.00 0.00 C ATOM 1181 CE1 PHE A 74 8.800 14.395 2.435 1.00 0.00 C ATOM 1182 CE2 PHE A 74 8.444 12.519 3.943 1.00 0.00 C ATOM 1183 CZ PHE A 74 8.531 13.030 2.637 1.00 0.00 C ATOM 0 H PHE A 74 10.943 14.412 7.876 1.00 0.00 H new ATOM 0 HA PHE A 74 11.208 16.187 5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.629 15.263 6.896 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.730 16.632 5.807 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.218 16.290 3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.570 12.972 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.849 14.793 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.225 11.473 4.099 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.391 12.375 1.790 1.00 0.00 H new ATOM 1193 N PRO A 75 10.734 18.263 7.185 1.00 0.00 N ATOM 1194 CA PRO A 75 10.585 18.881 5.862 1.00 0.00 C ATOM 1195 C PRO A 75 11.681 18.513 4.858 1.00 0.00 C ATOM 1196 O PRO A 75 12.783 18.126 5.246 1.00 0.00 O ATOM 1197 CB PRO A 75 10.591 20.395 6.105 1.00 0.00 C ATOM 1198 CG PRO A 75 10.052 20.517 7.526 1.00 0.00 C ATOM 1199 CD PRO A 75 10.689 19.308 8.203 1.00 0.00 C ATOM 0 HA PRO A 75 9.664 18.515 5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.593 20.814 6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.961 20.921 5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.349 21.454 7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.963 20.476 7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.689 19.544 8.566 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.104 18.989 9.066 1.00 0.00 H new ATOM 1207 N GLN A 76 11.374 18.634 3.561 1.00 0.00 N ATOM 1208 CA GLN A 76 12.248 18.156 2.485 1.00 0.00 C ATOM 1209 C GLN A 76 12.031 18.972 1.200 1.00 0.00 C ATOM 1210 O GLN A 76 10.894 19.186 0.780 1.00 0.00 O ATOM 1211 CB GLN A 76 11.948 16.661 2.263 1.00 0.00 C ATOM 1212 CG GLN A 76 12.985 15.921 1.414 1.00 0.00 C ATOM 1213 CD GLN A 76 12.495 14.519 1.035 1.00 0.00 C ATOM 1214 OE1 GLN A 76 12.480 14.151 -0.129 1.00 0.00 O ATOM 1215 NE2 GLN A 76 12.054 13.697 1.968 1.00 0.00 N ATOM 0 H GLN A 76 10.512 19.066 3.229 1.00 0.00 H new ATOM 0 HA GLN A 76 13.295 18.284 2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.876 16.171 3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.973 16.567 1.785 1.00 0.00 H new ATOM 0 HG2 GLN A 76 13.193 16.493 0.510 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.922 15.845 1.965 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.059 13.986 2.946 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.709 12.772 1.711 1.00 0.00 H new ATOM 1224 N LEU A 77 13.118 19.419 0.569 1.00 0.00 N ATOM 1225 CA LEU A 77 13.111 20.169 -0.690 1.00 0.00 C ATOM 1226 C LEU A 77 13.286 19.225 -1.890 1.00 0.00 C ATOM 1227 O LEU A 77 14.077 18.284 -1.843 1.00 0.00 O ATOM 1228 CB LEU A 77 14.205 21.254 -0.583 1.00 0.00 C ATOM 1229 CG LEU A 77 14.279 22.278 -1.740 1.00 0.00 C ATOM 1230 CD1 LEU A 77 14.881 23.579 -1.203 1.00 0.00 C ATOM 1231 CD2 LEU A 77 15.162 21.842 -2.917 1.00 0.00 C ATOM 0 H LEU A 77 14.059 19.264 0.931 1.00 0.00 H new ATOM 0 HA LEU A 77 12.153 20.660 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.053 21.801 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.172 20.757 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 77 13.258 22.385 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.940 24.312 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.251 23.968 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.881 23.384 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.157 22.618 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.182 21.684 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.775 20.914 -3.338 1.00 0.00 H new ATOM 1243 N TYR A 78 12.584 19.518 -2.988 1.00 0.00 N ATOM 1244 CA TYR A 78 12.763 18.869 -4.293 1.00 0.00 C ATOM 1245 C TYR A 78 12.834 19.898 -5.428 1.00 0.00 C ATOM 1246 O TYR A 78 12.098 20.894 -5.436 1.00 0.00 O ATOM 1247 CB TYR A 78 11.619 17.876 -4.540 1.00 0.00 C ATOM 1248 CG TYR A 78 11.577 17.257 -5.931 1.00 0.00 C ATOM 1249 CD1 TYR A 78 10.912 17.897 -6.997 1.00 0.00 C ATOM 1250 CD2 TYR A 78 12.205 16.022 -6.158 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.845 17.286 -8.263 1.00 0.00 C ATOM 1252 CE2 TYR A 78 12.116 15.385 -7.407 1.00 0.00 C ATOM 1253 CZ TYR A 78 11.410 16.005 -8.457 1.00 0.00 C ATOM 1254 OH TYR A 78 11.263 15.361 -9.645 1.00 0.00 O ATOM 0 H TYR A 78 11.856 20.232 -2.996 1.00 0.00 H new ATOM 0 HA TYR A 78 13.711 18.331 -4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 78 11.693 17.073 -3.806 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.673 18.386 -4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.452 18.861 -6.841 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.765 15.555 -5.361 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.363 17.795 -9.085 1.00 0.00 H new ATOM 0 HE2 TYR A 78 12.586 14.425 -7.562 1.00 0.00 H new ATOM 0 HH TYR A 78 11.715 14.493 -9.605 1.00 0.00 H new ATOM 1264 N ILE A 79 13.684 19.616 -6.413 1.00 0.00 N ATOM 1265 CA ILE A 79 13.821 20.385 -7.653 1.00 0.00 C ATOM 1266 C ILE A 79 13.930 19.442 -8.854 1.00 0.00 C ATOM 1267 O ILE A 79 14.607 18.424 -8.769 1.00 0.00 O ATOM 1268 CB ILE A 79 15.023 21.356 -7.591 1.00 0.00 C ATOM 1269 CG1 ILE A 79 16.301 20.747 -6.969 1.00 0.00 C ATOM 1270 CG2 ILE A 79 14.592 22.648 -6.885 1.00 0.00 C ATOM 1271 CD1 ILE A 79 17.526 21.660 -7.106 1.00 0.00 C ATOM 0 H ILE A 79 14.319 18.819 -6.371 1.00 0.00 H new ATOM 0 HA ILE A 79 12.925 20.994 -7.774 1.00 0.00 H new ATOM 0 HB ILE A 79 15.312 21.580 -8.618 1.00 0.00 H new ATOM 0 HG12 ILE A 79 16.123 20.543 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 79 16.512 19.791 -7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.436 23.336 -6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.776 23.111 -7.440 1.00 0.00 H new ATOM 0 HG23 ILE A 79 14.257 22.416 -5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 79 18.391 21.178 -6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 79 17.726 21.844 -8.161 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.332 22.607 -6.603 1.00 0.00 H new ATOM 1283 N ASP A 80 13.250 19.796 -9.951 1.00 0.00 N ATOM 1284 CA ASP A 80 13.056 19.043 -11.204 1.00 0.00 C ATOM 1285 C ASP A 80 14.006 17.838 -11.421 1.00 0.00 C ATOM 1286 O ASP A 80 15.078 17.962 -12.024 1.00 0.00 O ATOM 1287 CB ASP A 80 13.114 20.055 -12.364 1.00 0.00 C ATOM 1288 CG ASP A 80 12.834 19.444 -13.751 1.00 0.00 C ATOM 1289 OD1 ASP A 80 12.039 18.478 -13.845 1.00 0.00 O ATOM 1290 OD2 ASP A 80 13.380 19.971 -14.753 1.00 0.00 O ATOM 0 H ASP A 80 12.777 20.699 -9.992 1.00 0.00 H new ATOM 0 HA ASP A 80 12.082 18.557 -11.150 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.390 20.848 -12.176 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.100 20.520 -12.377 1.00 0.00 H new ATOM 1295 N GLY A 81 13.582 16.661 -10.928 1.00 0.00 N ATOM 1296 CA GLY A 81 14.278 15.377 -11.077 1.00 0.00 C ATOM 1297 C GLY A 81 15.053 14.879 -9.846 1.00 0.00 C ATOM 1298 O GLY A 81 15.479 13.723 -9.864 1.00 0.00 O ATOM 0 H GLY A 81 12.715 16.578 -10.397 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.544 14.619 -11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.975 15.460 -11.911 1.00 0.00 H new ATOM 1302 N GLU A 82 15.242 15.689 -8.796 1.00 0.00 N ATOM 1303 CA GLU A 82 16.105 15.365 -7.645 1.00 0.00 C ATOM 1304 C GLU A 82 15.559 15.854 -6.286 1.00 0.00 C ATOM 1305 O GLU A 82 15.233 17.031 -6.090 1.00 0.00 O ATOM 1306 CB GLU A 82 17.521 15.939 -7.851 1.00 0.00 C ATOM 1307 CG GLU A 82 18.272 15.285 -9.020 1.00 0.00 C ATOM 1308 CD GLU A 82 19.732 15.757 -9.084 1.00 0.00 C ATOM 1309 OE1 GLU A 82 20.582 15.205 -8.345 1.00 0.00 O ATOM 1310 OE2 GLU A 82 20.045 16.660 -9.896 1.00 0.00 O ATOM 0 H GLU A 82 14.794 16.602 -8.718 1.00 0.00 H new ATOM 0 HA GLU A 82 16.129 14.276 -7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.449 17.012 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 82 18.098 15.805 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.243 14.201 -8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.769 15.525 -9.957 1.00 0.00 H new ATOM 1317 N PHE A 83 15.542 14.933 -5.312 1.00 0.00 N ATOM 1318 CA PHE A 83 15.268 15.205 -3.898 1.00 0.00 C ATOM 1319 C PHE A 83 16.553 15.730 -3.235 1.00 0.00 C ATOM 1320 O PHE A 83 17.594 15.070 -3.257 1.00 0.00 O ATOM 1321 CB PHE A 83 14.709 13.943 -3.217 1.00 0.00 C ATOM 1322 CG PHE A 83 13.429 13.441 -3.864 1.00 0.00 C ATOM 1323 CD1 PHE A 83 13.488 12.550 -4.953 1.00 0.00 C ATOM 1324 CD2 PHE A 83 12.184 13.963 -3.458 1.00 0.00 C ATOM 1325 CE1 PHE A 83 12.320 12.232 -5.671 1.00 0.00 C ATOM 1326 CE2 PHE A 83 11.014 13.636 -4.168 1.00 0.00 C ATOM 1327 CZ PHE A 83 11.087 12.790 -5.289 1.00 0.00 C ATOM 0 H PHE A 83 15.725 13.946 -5.495 1.00 0.00 H new ATOM 0 HA PHE A 83 14.504 15.975 -3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 83 15.461 13.155 -3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.519 14.157 -2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.432 12.110 -5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.128 14.616 -2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.371 11.560 -6.515 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.061 14.034 -3.852 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.195 12.569 -5.857 1.00 0.00 H new ATOM 1337 N PHE A 84 16.474 16.935 -2.665 1.00 0.00 N ATOM 1338 CA PHE A 84 17.628 17.696 -2.183 1.00 0.00 C ATOM 1339 C PHE A 84 17.952 17.461 -0.697 1.00 0.00 C ATOM 1340 O PHE A 84 19.125 17.491 -0.312 1.00 0.00 O ATOM 1341 CB PHE A 84 17.330 19.178 -2.441 1.00 0.00 C ATOM 1342 CG PHE A 84 18.559 20.042 -2.630 1.00 0.00 C ATOM 1343 CD1 PHE A 84 19.221 20.612 -1.524 1.00 0.00 C ATOM 1344 CD2 PHE A 84 19.036 20.281 -3.932 1.00 0.00 C ATOM 1345 CE1 PHE A 84 20.363 21.410 -1.726 1.00 0.00 C ATOM 1346 CE2 PHE A 84 20.166 21.092 -4.134 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.832 21.651 -3.032 1.00 0.00 C ATOM 0 H PHE A 84 15.587 17.418 -2.523 1.00 0.00 H new ATOM 0 HA PHE A 84 18.514 17.359 -2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.703 19.260 -3.329 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.751 19.570 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 84 18.853 20.437 -0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 84 18.532 19.840 -4.779 1.00 0.00 H new ATOM 0 HE1 PHE A 84 20.880 21.837 -0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 84 20.521 21.285 -5.135 1.00 0.00 H new ATOM 0 HZ PHE A 84 21.706 22.267 -3.186 1.00 0.00 H new ATOM 1357 N GLY A 85 16.923 17.219 0.126 1.00 0.00 N ATOM 1358 CA GLY A 85 17.040 17.004 1.574 1.00 0.00 C ATOM 1359 C GLY A 85 16.502 18.163 2.413 1.00 0.00 C ATOM 1360 O GLY A 85 15.586 18.870 1.992 1.00 0.00 O ATOM 0 H GLY A 85 15.960 17.166 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.504 16.094 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.088 16.842 1.825 1.00 0.00 H new ATOM 1364 N GLY A 86 17.022 18.311 3.635 1.00 0.00 N ATOM 1365 CA GLY A 86 16.497 19.223 4.665 1.00 0.00 C ATOM 1366 C GLY A 86 17.061 20.645 4.635 1.00 0.00 C ATOM 1367 O GLY A 86 17.835 21.024 3.754 1.00 0.00 O ATOM 0 H GLY A 86 17.840 17.788 3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.414 19.278 4.558 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.699 18.791 5.645 1.00 0.00 H new ATOM 1371 N CYS A 87 16.664 21.441 5.636 1.00 0.00 N ATOM 1372 CA CYS A 87 17.018 22.861 5.775 1.00 0.00 C ATOM 1373 C CYS A 87 18.534 23.092 5.840 1.00 0.00 C ATOM 1374 O CYS A 87 19.065 23.879 5.062 1.00 0.00 O ATOM 1375 CB CYS A 87 16.298 23.401 7.025 1.00 0.00 C ATOM 1376 SG CYS A 87 16.699 25.162 7.247 1.00 0.00 S ATOM 0 H CYS A 87 16.070 21.106 6.394 1.00 0.00 H new ATOM 0 HA CYS A 87 16.692 23.404 4.888 1.00 0.00 H new ATOM 0 HB2 CYS A 87 15.221 23.273 6.920 1.00 0.00 H new ATOM 0 HB3 CYS A 87 16.602 22.835 7.905 1.00 0.00 H new ATOM 0 HG CYS A 87 15.623 25.875 7.092 1.00 0.00 H new ATOM 1382 N ASP A 88 19.244 22.380 6.717 1.00 0.00 N ATOM 1383 CA ASP A 88 20.686 22.574 6.923 1.00 0.00 C ATOM 1384 C ASP A 88 21.488 22.308 5.635 1.00 0.00 C ATOM 1385 O ASP A 88 22.327 23.124 5.252 1.00 0.00 O ATOM 1386 CB ASP A 88 21.146 21.673 8.076 1.00 0.00 C ATOM 1387 CG ASP A 88 22.626 21.889 8.425 1.00 0.00 C ATOM 1388 OD1 ASP A 88 22.979 23.010 8.861 1.00 0.00 O ATOM 1389 OD2 ASP A 88 23.419 20.927 8.299 1.00 0.00 O ATOM 0 H ASP A 88 18.839 21.652 7.306 1.00 0.00 H new ATOM 0 HA ASP A 88 20.874 23.615 7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.534 21.871 8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.987 20.629 7.805 1.00 0.00 H new ATOM 1394 N ILE A 89 21.147 21.227 4.916 1.00 0.00 N ATOM 1395 CA ILE A 89 21.726 20.912 3.595 1.00 0.00 C ATOM 1396 C ILE A 89 21.431 22.045 2.602 1.00 0.00 C ATOM 1397 O ILE A 89 22.346 22.507 1.920 1.00 0.00 O ATOM 1398 CB ILE A 89 21.217 19.537 3.086 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.632 18.406 4.064 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.756 19.250 1.668 1.00 0.00 C ATOM 1401 CD1 ILE A 89 21.068 17.024 3.710 1.00 0.00 C ATOM 0 H ILE A 89 20.460 20.543 5.233 1.00 0.00 H new ATOM 0 HA ILE A 89 22.809 20.834 3.690 1.00 0.00 H new ATOM 0 HB ILE A 89 20.128 19.570 3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 89 22.720 18.345 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 89 21.304 18.672 5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.388 18.282 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 89 21.415 20.028 0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.846 19.238 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.407 16.294 4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.979 17.064 3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 89 21.417 16.731 2.720 1.00 0.00 H new ATOM 1413 N THR A 90 20.183 22.534 2.575 1.00 0.00 N ATOM 1414 CA THR A 90 19.728 23.625 1.692 1.00 0.00 C ATOM 1415 C THR A 90 20.485 24.917 1.989 1.00 0.00 C ATOM 1416 O THR A 90 20.982 25.547 1.061 1.00 0.00 O ATOM 1417 CB THR A 90 18.209 23.830 1.820 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.553 22.627 1.498 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.685 24.904 0.868 1.00 0.00 C ATOM 0 H THR A 90 19.443 22.176 3.179 1.00 0.00 H new ATOM 0 HA THR A 90 19.944 23.343 0.662 1.00 0.00 H new ATOM 0 HB THR A 90 18.013 24.143 2.846 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.615 22.008 2.255 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.608 25.011 0.997 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.173 25.854 1.087 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.900 24.615 -0.161 1.00 0.00 H new ATOM 1427 N VAL A 91 20.621 25.285 3.261 1.00 0.00 N ATOM 1428 CA VAL A 91 21.341 26.487 3.711 1.00 0.00 C ATOM 1429 C VAL A 91 22.839 26.415 3.378 1.00 0.00 C ATOM 1430 O VAL A 91 23.387 27.395 2.883 1.00 0.00 O ATOM 1431 CB VAL A 91 21.106 26.739 5.219 1.00 0.00 C ATOM 1432 CG1 VAL A 91 22.026 27.829 5.802 1.00 0.00 C ATOM 1433 CG2 VAL A 91 19.647 27.171 5.466 1.00 0.00 C ATOM 0 H VAL A 91 20.226 24.746 4.031 1.00 0.00 H new ATOM 0 HA VAL A 91 20.936 27.337 3.162 1.00 0.00 H new ATOM 0 HB VAL A 91 21.332 25.796 5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 91 21.811 27.957 6.863 1.00 0.00 H new ATOM 0 HG12 VAL A 91 23.067 27.532 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.852 28.770 5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 91 19.494 27.345 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.441 28.089 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.972 26.385 5.127 1.00 0.00 H new ATOM 1443 N GLU A 92 23.506 25.277 3.605 1.00 0.00 N ATOM 1444 CA GLU A 92 24.921 25.113 3.241 1.00 0.00 C ATOM 1445 C GLU A 92 25.126 25.121 1.719 1.00 0.00 C ATOM 1446 O GLU A 92 26.080 25.731 1.231 1.00 0.00 O ATOM 1447 CB GLU A 92 25.505 23.823 3.836 1.00 0.00 C ATOM 1448 CG GLU A 92 25.712 23.914 5.356 1.00 0.00 C ATOM 1449 CD GLU A 92 26.550 22.739 5.890 1.00 0.00 C ATOM 1450 OE1 GLU A 92 26.299 21.569 5.514 1.00 0.00 O ATOM 1451 OE2 GLU A 92 27.491 22.986 6.684 1.00 0.00 O ATOM 0 H GLU A 92 23.089 24.454 4.040 1.00 0.00 H new ATOM 0 HA GLU A 92 25.451 25.967 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 92 24.838 22.990 3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 92 26.459 23.605 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 92 26.207 24.854 5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.743 23.926 5.855 1.00 0.00 H new ATOM 1458 N ALA A 93 24.227 24.495 0.952 1.00 0.00 N ATOM 1459 CA ALA A 93 24.278 24.497 -0.507 1.00 0.00 C ATOM 1460 C ALA A 93 24.020 25.891 -1.095 1.00 0.00 C ATOM 1461 O ALA A 93 24.646 26.258 -2.089 1.00 0.00 O ATOM 1462 CB ALA A 93 23.262 23.470 -1.009 1.00 0.00 C ATOM 0 H ALA A 93 23.440 23.970 1.333 1.00 0.00 H new ATOM 0 HA ALA A 93 25.280 24.225 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 93 23.276 23.447 -2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 93 23.520 22.484 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 93 22.265 23.746 -0.664 1.00 0.00 H new ATOM 1468 N TYR A 94 23.146 26.694 -0.485 1.00 0.00 N ATOM 1469 CA TYR A 94 22.913 28.093 -0.865 1.00 0.00 C ATOM 1470 C TYR A 94 24.152 28.967 -0.632 1.00 0.00 C ATOM 1471 O TYR A 94 24.543 29.724 -1.522 1.00 0.00 O ATOM 1472 CB TYR A 94 21.699 28.626 -0.090 1.00 0.00 C ATOM 1473 CG TYR A 94 21.327 30.057 -0.435 1.00 0.00 C ATOM 1474 CD1 TYR A 94 20.921 30.385 -1.743 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.393 31.064 0.550 1.00 0.00 C ATOM 1476 CE1 TYR A 94 20.582 31.712 -2.071 1.00 0.00 C ATOM 1477 CE2 TYR A 94 21.050 32.393 0.232 1.00 0.00 C ATOM 1478 CZ TYR A 94 20.639 32.720 -1.082 1.00 0.00 C ATOM 1479 OH TYR A 94 20.298 34.000 -1.400 1.00 0.00 O ATOM 0 H TYR A 94 22.570 26.388 0.299 1.00 0.00 H new ATOM 0 HA TYR A 94 22.707 28.135 -1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.843 27.981 -0.288 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.906 28.563 0.978 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.869 29.615 -2.498 1.00 0.00 H new ATOM 0 HD2 TYR A 94 21.708 30.815 1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.279 31.959 -3.078 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.101 33.161 0.990 1.00 0.00 H new ATOM 0 HH TYR A 94 20.390 34.570 -0.608 1.00 0.00 H new ATOM 1489 N LYS A 95 24.817 28.797 0.516 1.00 0.00 N ATOM 1490 CA LYS A 95 26.084 29.473 0.842 1.00 0.00 C ATOM 1491 C LYS A 95 27.261 28.990 -0.031 1.00 0.00 C ATOM 1492 O LYS A 95 28.160 29.770 -0.346 1.00 0.00 O ATOM 1493 CB LYS A 95 26.381 29.267 2.339 1.00 0.00 C ATOM 1494 CG LYS A 95 25.427 30.075 3.237 1.00 0.00 C ATOM 1495 CD LYS A 95 25.704 29.799 4.722 1.00 0.00 C ATOM 1496 CE LYS A 95 24.778 30.656 5.601 1.00 0.00 C ATOM 1497 NZ LYS A 95 25.059 30.470 7.050 1.00 0.00 N ATOM 0 H LYS A 95 24.488 28.178 1.257 1.00 0.00 H new ATOM 0 HA LYS A 95 25.972 30.535 0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 95 26.296 28.208 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 95 27.410 29.561 2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 95 25.544 31.139 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 95 24.394 29.817 3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 95 25.548 28.742 4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 95 26.746 30.021 4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 95 24.900 31.707 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 95 23.740 30.395 5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 24.414 31.065 7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 24.918 29.472 7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 26.042 30.743 7.251 1.00 0.00 H new ATOM 1511 N SER A 96 27.242 27.727 -0.464 1.00 0.00 N ATOM 1512 CA SER A 96 28.270 27.138 -1.341 1.00 0.00 C ATOM 1513 C SER A 96 28.021 27.406 -2.845 1.00 0.00 C ATOM 1514 O SER A 96 28.911 27.173 -3.665 1.00 0.00 O ATOM 1515 CB SER A 96 28.348 25.623 -1.091 1.00 0.00 C ATOM 1516 OG SER A 96 28.557 25.319 0.281 1.00 0.00 O ATOM 0 H SER A 96 26.502 27.070 -0.214 1.00 0.00 H new ATOM 0 HA SER A 96 29.215 27.621 -1.091 1.00 0.00 H new ATOM 0 HB2 SER A 96 27.425 25.152 -1.430 1.00 0.00 H new ATOM 0 HB3 SER A 96 29.159 25.199 -1.684 1.00 0.00 H new ATOM 0 HG SER A 96 27.697 25.320 0.751 1.00 0.00 H new ATOM 1522 N GLY A 97 26.819 27.873 -3.222 1.00 0.00 N ATOM 1523 CA GLY A 97 26.410 28.159 -4.610 1.00 0.00 C ATOM 1524 C GLY A 97 25.779 26.966 -5.336 1.00 0.00 C ATOM 1525 O GLY A 97 25.288 27.112 -6.453 1.00 0.00 O ATOM 0 H GLY A 97 26.080 28.069 -2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.699 28.985 -4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.282 28.493 -5.173 1.00 0.00 H new ATOM 1529 N GLU A 98 25.741 25.795 -4.698 1.00 0.00 N ATOM 1530 CA GLU A 98 25.277 24.534 -5.284 1.00 0.00 C ATOM 1531 C GLU A 98 23.750 24.511 -5.437 1.00 0.00 C ATOM 1532 O GLU A 98 23.242 24.054 -6.462 1.00 0.00 O ATOM 1533 CB GLU A 98 25.755 23.349 -4.421 1.00 0.00 C ATOM 1534 CG GLU A 98 27.277 23.341 -4.206 1.00 0.00 C ATOM 1535 CD GLU A 98 27.728 22.041 -3.531 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.713 21.970 -2.280 1.00 0.00 O ATOM 1537 OE2 GLU A 98 28.108 21.081 -4.246 1.00 0.00 O ATOM 0 H GLU A 98 26.042 25.694 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 98 25.705 24.445 -6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 98 25.257 23.387 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 98 25.455 22.415 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.784 23.453 -5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.566 24.194 -3.591 1.00 0.00 H new ATOM 1544 N LEU A 99 23.005 25.055 -4.465 1.00 0.00 N ATOM 1545 CA LEU A 99 21.554 25.251 -4.600 1.00 0.00 C ATOM 1546 C LEU A 99 21.263 26.285 -5.690 1.00 0.00 C ATOM 1547 O LEU A 99 20.377 26.069 -6.510 1.00 0.00 O ATOM 1548 CB LEU A 99 20.958 25.687 -3.244 1.00 0.00 C ATOM 1549 CG LEU A 99 19.419 25.833 -3.242 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.712 24.470 -3.245 1.00 0.00 C ATOM 1551 CD2 LEU A 99 18.974 26.639 -2.018 1.00 0.00 C ATOM 0 H LEU A 99 23.385 25.369 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 99 21.086 24.311 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.243 24.959 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.402 26.640 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 99 19.138 26.356 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.632 24.620 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 99 19.000 23.913 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 99 19.001 23.908 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.889 26.738 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 99 19.287 26.124 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.429 27.629 -2.049 1.00 0.00 H new ATOM 1563 N GLN A 100 22.027 27.385 -5.719 1.00 0.00 N ATOM 1564 CA GLN A 100 21.828 28.487 -6.668 1.00 0.00 C ATOM 1565 C GLN A 100 21.932 27.976 -8.113 1.00 0.00 C ATOM 1566 O GLN A 100 21.033 28.215 -8.920 1.00 0.00 O ATOM 1567 CB GLN A 100 22.830 29.628 -6.402 1.00 0.00 C ATOM 1568 CG GLN A 100 22.788 30.190 -4.963 1.00 0.00 C ATOM 1569 CD GLN A 100 23.614 31.472 -4.793 1.00 0.00 C ATOM 1570 OE1 GLN A 100 23.651 32.349 -5.648 1.00 0.00 O ATOM 1571 NE2 GLN A 100 24.317 31.642 -3.689 1.00 0.00 N ATOM 0 H GLN A 100 22.807 27.536 -5.079 1.00 0.00 H new ATOM 0 HA GLN A 100 20.825 28.890 -6.525 1.00 0.00 H new ATOM 0 HB2 GLN A 100 23.837 29.267 -6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 100 22.632 30.440 -7.102 1.00 0.00 H new ATOM 0 HG2 GLN A 100 21.753 30.393 -4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.158 29.432 -4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 100 24.304 30.928 -2.961 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.873 32.488 -3.564 1.00 0.00 H new ATOM 1580 N GLU A 101 22.983 27.198 -8.407 1.00 0.00 N ATOM 1581 CA GLU A 101 23.186 26.559 -9.708 1.00 0.00 C ATOM 1582 C GLU A 101 22.056 25.564 -10.031 1.00 0.00 C ATOM 1583 O GLU A 101 21.463 25.624 -11.108 1.00 0.00 O ATOM 1584 CB GLU A 101 24.557 25.859 -9.695 1.00 0.00 C ATOM 1585 CG GLU A 101 25.010 25.337 -11.064 1.00 0.00 C ATOM 1586 CD GLU A 101 25.375 26.471 -12.035 1.00 0.00 C ATOM 1587 OE1 GLU A 101 26.333 27.233 -11.755 1.00 0.00 O ATOM 1588 OE2 GLU A 101 24.734 26.587 -13.106 1.00 0.00 O ATOM 0 H GLU A 101 23.724 26.994 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 101 23.165 27.316 -10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.305 26.557 -9.319 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.520 25.024 -8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 101 25.873 24.684 -10.933 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.215 24.732 -11.500 1.00 0.00 H new ATOM 1595 N GLN A 102 21.727 24.650 -9.105 1.00 0.00 N ATOM 1596 CA GLN A 102 20.762 23.578 -9.369 1.00 0.00 C ATOM 1597 C GLN A 102 19.306 24.071 -9.449 1.00 0.00 C ATOM 1598 O GLN A 102 18.556 23.575 -10.286 1.00 0.00 O ATOM 1599 CB GLN A 102 20.930 22.446 -8.343 1.00 0.00 C ATOM 1600 CG GLN A 102 22.257 21.691 -8.553 1.00 0.00 C ATOM 1601 CD GLN A 102 22.541 20.704 -7.420 1.00 0.00 C ATOM 1602 OE1 GLN A 102 22.351 19.499 -7.538 1.00 0.00 O ATOM 1603 NE2 GLN A 102 23.004 21.182 -6.282 1.00 0.00 N ATOM 0 H GLN A 102 22.119 24.635 -8.163 1.00 0.00 H new ATOM 0 HA GLN A 102 20.985 23.185 -10.361 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.900 22.859 -7.335 1.00 0.00 H new ATOM 0 HB3 GLN A 102 20.096 21.749 -8.427 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.222 21.154 -9.501 1.00 0.00 H new ATOM 0 HG3 GLN A 102 23.075 22.408 -8.622 1.00 0.00 H new ATOM 0 HE21 GLN A 102 23.164 22.184 -6.177 1.00 0.00 H new ATOM 0 HE22 GLN A 102 23.202 20.550 -5.506 1.00 0.00 H new ATOM 1612 N VAL A 103 18.907 25.072 -8.653 1.00 0.00 N ATOM 1613 CA VAL A 103 17.566 25.687 -8.743 1.00 0.00 C ATOM 1614 C VAL A 103 17.398 26.431 -10.075 1.00 0.00 C ATOM 1615 O VAL A 103 16.337 26.330 -10.686 1.00 0.00 O ATOM 1616 CB VAL A 103 17.281 26.633 -7.555 1.00 0.00 C ATOM 1617 CG1 VAL A 103 15.984 27.451 -7.720 1.00 0.00 C ATOM 1618 CG2 VAL A 103 17.160 25.855 -6.234 1.00 0.00 C ATOM 0 H VAL A 103 19.499 25.481 -7.929 1.00 0.00 H new ATOM 0 HA VAL A 103 16.837 24.878 -8.698 1.00 0.00 H new ATOM 0 HB VAL A 103 18.132 27.314 -7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.846 28.093 -6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.053 28.065 -8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.135 26.773 -7.809 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.960 26.551 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.343 25.137 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 103 18.092 25.325 -6.037 1.00 0.00 H new ATOM 1628 N GLU A 104 18.432 27.133 -10.566 1.00 0.00 N ATOM 1629 CA GLU A 104 18.395 27.752 -11.894 1.00 0.00 C ATOM 1630 C GLU A 104 18.259 26.693 -13.000 1.00 0.00 C ATOM 1631 O GLU A 104 17.372 26.800 -13.848 1.00 0.00 O ATOM 1632 CB GLU A 104 19.626 28.647 -12.101 1.00 0.00 C ATOM 1633 CG GLU A 104 19.521 29.465 -13.391 1.00 0.00 C ATOM 1634 CD GLU A 104 20.684 30.458 -13.515 1.00 0.00 C ATOM 1635 OE1 GLU A 104 20.612 31.558 -12.918 1.00 0.00 O ATOM 1636 OE2 GLU A 104 21.669 30.161 -14.229 1.00 0.00 O ATOM 0 H GLU A 104 19.304 27.284 -10.059 1.00 0.00 H new ATOM 0 HA GLU A 104 17.510 28.385 -11.956 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.733 29.321 -11.251 1.00 0.00 H new ATOM 0 HB3 GLU A 104 20.524 28.029 -12.134 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.519 28.795 -14.251 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.575 30.006 -13.406 1.00 0.00 H new ATOM 1643 N LYS A 105 19.043 25.609 -12.946 1.00 0.00 N ATOM 1644 CA LYS A 105 18.906 24.483 -13.878 1.00 0.00 C ATOM 1645 C LYS A 105 17.511 23.830 -13.812 1.00 0.00 C ATOM 1646 O LYS A 105 16.958 23.492 -14.857 1.00 0.00 O ATOM 1647 CB LYS A 105 20.020 23.453 -13.626 1.00 0.00 C ATOM 1648 CG LYS A 105 21.381 23.943 -14.142 1.00 0.00 C ATOM 1649 CD LYS A 105 22.477 22.893 -13.900 1.00 0.00 C ATOM 1650 CE LYS A 105 23.801 23.379 -14.504 1.00 0.00 C ATOM 1651 NZ LYS A 105 24.891 22.377 -14.338 1.00 0.00 N ATOM 0 H LYS A 105 19.787 25.488 -12.258 1.00 0.00 H new ATOM 0 HA LYS A 105 19.011 24.875 -14.890 1.00 0.00 H new ATOM 0 HB2 LYS A 105 20.089 23.247 -12.558 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.763 22.513 -14.115 1.00 0.00 H new ATOM 0 HG2 LYS A 105 21.312 24.162 -15.208 1.00 0.00 H new ATOM 0 HG3 LYS A 105 21.649 24.874 -13.642 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.597 22.718 -12.831 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.189 21.942 -14.349 1.00 0.00 H new ATOM 0 HE2 LYS A 105 23.660 23.589 -15.564 1.00 0.00 H new ATOM 0 HE3 LYS A 105 24.094 24.315 -14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 25.768 22.745 -14.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 25.044 22.195 -13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.624 21.491 -14.813 1.00 0.00 H new ATOM 1665 N ALA A 106 16.894 23.722 -12.630 1.00 0.00 N ATOM 1666 CA ALA A 106 15.531 23.205 -12.465 1.00 0.00 C ATOM 1667 C ALA A 106 14.434 24.136 -13.022 1.00 0.00 C ATOM 1668 O ALA A 106 13.377 23.656 -13.432 1.00 0.00 O ATOM 1669 CB ALA A 106 15.301 22.925 -10.980 1.00 0.00 C ATOM 0 H ALA A 106 17.333 23.995 -11.750 1.00 0.00 H new ATOM 0 HA ALA A 106 15.451 22.291 -13.054 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.292 22.539 -10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 106 16.025 22.188 -10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.422 23.848 -10.413 1.00 0.00 H new ATOM 1675 N MET A 107 14.675 25.451 -13.073 1.00 0.00 N ATOM 1676 CA MET A 107 13.793 26.399 -13.769 1.00 0.00 C ATOM 1677 C MET A 107 13.977 26.331 -15.295 1.00 0.00 C ATOM 1678 O MET A 107 12.983 26.378 -16.022 1.00 0.00 O ATOM 1679 CB MET A 107 14.009 27.825 -13.242 1.00 0.00 C ATOM 1680 CG MET A 107 13.496 27.960 -11.799 1.00 0.00 C ATOM 1681 SD MET A 107 13.481 29.652 -11.145 1.00 0.00 S ATOM 1682 CE MET A 107 15.254 30.008 -11.104 1.00 0.00 C ATOM 0 H MET A 107 15.485 25.889 -12.634 1.00 0.00 H new ATOM 0 HA MET A 107 12.763 26.112 -13.559 1.00 0.00 H new ATOM 0 HB2 MET A 107 15.069 28.074 -13.280 1.00 0.00 H new ATOM 0 HB3 MET A 107 13.491 28.537 -13.885 1.00 0.00 H new ATOM 0 HG2 MET A 107 12.484 27.559 -11.750 1.00 0.00 H new ATOM 0 HG3 MET A 107 14.116 27.341 -11.150 1.00 0.00 H new ATOM 0 HE1 MET A 107 15.429 30.919 -10.532 1.00 0.00 H new ATOM 0 HE2 MET A 107 15.781 29.178 -10.634 1.00 0.00 H new ATOM 0 HE3 MET A 107 15.622 30.142 -12.121 1.00 0.00 H new ATOM 1692 N CYS A 108 15.213 26.156 -15.778 1.00 0.00 N ATOM 1693 CA CYS A 108 15.529 26.046 -17.211 1.00 0.00 C ATOM 1694 C CYS A 108 15.063 24.715 -17.847 1.00 0.00 C ATOM 1695 O CYS A 108 14.559 24.727 -18.975 1.00 0.00 O ATOM 1696 CB CYS A 108 17.046 26.233 -17.398 1.00 0.00 C ATOM 1697 SG CYS A 108 17.578 27.869 -16.811 1.00 0.00 S ATOM 0 H CYS A 108 16.035 26.086 -15.178 1.00 0.00 H new ATOM 0 HA CYS A 108 14.976 26.829 -17.731 1.00 0.00 H new ATOM 0 HB2 CYS A 108 17.582 25.455 -16.853 1.00 0.00 H new ATOM 0 HB3 CYS A 108 17.303 26.119 -18.451 1.00 0.00 H new ATOM 0 HG CYS A 108 17.630 27.868 -15.512 1.00 0.00 H new ATOM 1703 N SER A 109 15.243 23.594 -17.133 1.00 0.00 N ATOM 1704 CA SER A 109 15.020 22.198 -17.570 1.00 0.00 C ATOM 1705 C SER A 109 15.773 21.861 -18.873 1.00 0.00 C ATOM 1706 O SER A 109 15.145 21.464 -19.886 1.00 0.00 O ATOM 1707 CB SER A 109 13.525 21.870 -17.658 1.00 0.00 C ATOM 1708 OG SER A 109 12.919 22.041 -16.390 1.00 0.00 O ATOM 1709 OXT SER A 109 17.023 21.972 -18.875 1.00 0.00 O ATOM 0 H SER A 109 15.571 23.636 -16.168 1.00 0.00 H new ATOM 0 HA SER A 109 15.445 21.552 -16.802 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.044 22.518 -18.391 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.388 20.844 -18.001 1.00 0.00 H new ATOM 0 HG SER A 109 12.889 21.180 -15.923 1.00 0.00 H new TER 1715 SER A 109