USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 6 LYS NZ :NH3+ 173:sc= 1.26 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 148:sc= 1.06 USER MOD Set 2.1: A 7 THR OG1 : rot -80:sc= 1.43 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.79 (180deg=1.44) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= 0.939 (180deg=-0.684!) USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.721 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1 K(o=1,f=-0.85) USER MOD Single : A 27 LYS NZ :NH3+ 144:sc= 1.83 (180deg=1.11) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 1.15 (180deg=0.89) USER MOD Single : A 31 GLN : amide:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= 1.21 (180deg=1.11) USER MOD Single : A 40 GLN : amide:sc= -0.0249 X(o=-0.025,f=-0.15) USER MOD Single : A 41 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.79) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 55 THR OG1 : rot -49:sc= 0.635 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 1.02 USER MOD Single : A 60 ASN : amide:sc= -0.135 K(o=-0.14,f=-2.4!) USER MOD Single : A 62 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -132:sc= 0.276 USER MOD Single : A 66 THR OG1 : rot 27:sc= 0.186 USER MOD Single : A 68 HIS : no HD1:sc= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.027 31.276 16.812 1.00 0.00 N ATOM 2 CA MET A 1 14.025 31.112 18.275 1.00 0.00 C ATOM 3 C MET A 1 15.424 31.287 18.875 1.00 0.00 C ATOM 4 O MET A 1 16.405 30.844 18.274 1.00 0.00 O ATOM 5 CB MET A 1 13.312 29.802 18.621 1.00 0.00 C ATOM 6 CG MET A 1 14.062 28.581 18.090 1.00 0.00 C ATOM 7 SD MET A 1 13.126 27.032 18.177 1.00 0.00 S ATOM 8 CE MET A 1 14.521 25.896 18.282 1.00 0.00 C ATOM 0 H1 MET A 1 13.094 31.018 16.432 1.00 0.00 H new ATOM 0 H2 MET A 1 14.235 32.267 16.574 1.00 0.00 H new ATOM 0 H3 MET A 1 14.753 30.660 16.395 1.00 0.00 H new ATOM 0 HA MET A 1 13.456 31.910 18.752 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.209 29.721 19.703 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.305 29.817 18.205 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.342 28.764 17.053 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.987 28.464 18.654 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.153 24.872 18.344 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.145 26.004 17.395 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.110 26.124 19.170 1.00 0.00 H new ATOM 20 N GLN A 2 15.477 32.127 19.902 1.00 0.00 N ATOM 21 CA GLN A 2 16.759 32.476 20.478 1.00 0.00 C ATOM 22 C GLN A 2 17.242 31.372 21.421 1.00 0.00 C ATOM 23 O GLN A 2 16.423 30.721 22.064 1.00 0.00 O ATOM 24 CB GLN A 2 16.724 33.805 21.240 1.00 0.00 C ATOM 25 CG GLN A 2 16.563 35.027 20.342 1.00 0.00 C ATOM 26 CD GLN A 2 16.618 36.340 21.115 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.475 36.283 22.333 1.00 0.00 O ATOM 28 NE2 GLN A 2 16.661 37.558 20.582 1.00 0.00 N ATOM 0 H GLN A 2 14.667 32.566 20.340 1.00 0.00 H new ATOM 0 HA GLN A 2 17.450 32.587 19.643 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.902 33.781 21.955 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.644 33.907 21.815 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.348 35.023 19.586 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.612 34.961 19.814 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.778 37.670 19.575 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.577 38.380 21.180 1.00 0.00 H new ATOM 37 N ILE A 3 18.544 31.133 21.506 1.00 0.00 N ATOM 38 CA ILE A 3 19.277 30.224 22.362 1.00 0.00 C ATOM 39 C ILE A 3 20.589 30.884 22.779 1.00 0.00 C ATOM 40 O ILE A 3 21.439 31.347 22.021 1.00 0.00 O ATOM 41 CB ILE A 3 19.293 28.750 21.951 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.015 28.523 20.622 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.977 27.965 22.026 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.903 27.277 20.630 1.00 0.00 C ATOM 0 H ILE A 3 19.187 31.639 20.897 1.00 0.00 H new ATOM 0 HA ILE A 3 18.708 30.072 23.280 1.00 0.00 H new ATOM 0 HB ILE A 3 19.874 28.306 22.759 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.277 28.432 19.825 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.626 29.396 20.393 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.147 26.938 21.704 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.610 27.968 23.052 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.238 28.431 21.375 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.388 27.170 19.660 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.662 27.376 21.406 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.292 26.396 20.830 1.00 0.00 H new ATOM 56 N PHE A 4 20.807 30.869 24.093 1.00 0.00 N ATOM 57 CA PHE A 4 21.667 31.680 24.925 1.00 0.00 C ATOM 58 C PHE A 4 22.972 30.945 25.225 1.00 0.00 C ATOM 59 O PHE A 4 23.512 30.778 26.322 1.00 0.00 O ATOM 60 CB PHE A 4 20.883 32.263 26.092 1.00 0.00 C ATOM 61 CG PHE A 4 19.971 33.425 25.774 1.00 0.00 C ATOM 62 CD1 PHE A 4 18.697 33.027 25.343 1.00 0.00 C ATOM 63 CD2 PHE A 4 20.236 34.784 25.951 1.00 0.00 C ATOM 64 CE1 PHE A 4 17.643 33.938 25.249 1.00 0.00 C ATOM 65 CE2 PHE A 4 19.224 35.744 25.818 1.00 0.00 C ATOM 66 CZ PHE A 4 17.942 35.274 25.502 1.00 0.00 C ATOM 0 H PHE A 4 20.310 30.189 24.669 1.00 0.00 H new ATOM 0 HA PHE A 4 22.013 32.571 24.401 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.282 31.467 26.532 1.00 0.00 H new ATOM 0 HB3 PHE A 4 21.593 32.584 26.854 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.528 31.994 25.078 1.00 0.00 H new ATOM 0 HD2 PHE A 4 21.239 35.101 26.195 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.643 33.621 24.992 1.00 0.00 H new ATOM 0 HE2 PHE A 4 19.423 36.797 25.953 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.137 35.992 25.452 1.00 0.00 H new ATOM 76 N VAL A 5 23.755 30.761 24.162 1.00 0.00 N ATOM 77 CA VAL A 5 25.085 30.216 24.028 1.00 0.00 C ATOM 78 C VAL A 5 26.058 31.108 24.796 1.00 0.00 C ATOM 79 O VAL A 5 26.248 32.263 24.425 1.00 0.00 O ATOM 80 CB VAL A 5 25.599 29.865 22.626 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.947 29.146 22.697 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.609 29.058 21.789 1.00 0.00 C ATOM 0 H VAL A 5 23.406 31.037 23.244 1.00 0.00 H new ATOM 0 HA VAL A 5 25.016 29.218 24.461 1.00 0.00 H new ATOM 0 HB VAL A 5 25.725 30.819 22.115 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.287 28.910 21.689 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.678 29.791 23.184 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.838 28.224 23.269 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.044 28.849 20.812 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.385 28.119 22.295 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.690 29.629 21.662 1.00 0.00 H new ATOM 92 N LYS A 6 26.640 30.559 25.864 1.00 0.00 N ATOM 93 CA LYS A 6 27.449 31.229 26.861 1.00 0.00 C ATOM 94 C LYS A 6 28.861 30.828 26.445 1.00 0.00 C ATOM 95 O LYS A 6 29.103 29.640 26.249 1.00 0.00 O ATOM 96 CB LYS A 6 27.166 30.542 28.199 1.00 0.00 C ATOM 97 CG LYS A 6 27.802 31.288 29.375 1.00 0.00 C ATOM 98 CD LYS A 6 27.170 32.656 29.657 1.00 0.00 C ATOM 99 CE LYS A 6 25.647 32.662 29.686 1.00 0.00 C ATOM 100 NZ LYS A 6 25.026 33.921 30.108 1.00 0.00 N ATOM 0 H LYS A 6 26.546 29.563 26.061 1.00 0.00 H new ATOM 0 HA LYS A 6 27.283 32.303 26.940 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.089 30.476 28.352 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.546 29.521 28.169 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.723 30.671 30.270 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.865 31.424 29.174 1.00 0.00 H new ATOM 0 HD2 LYS A 6 27.539 33.020 30.616 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.508 33.360 28.897 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.282 32.414 28.690 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.311 31.870 30.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.996 33.860 29.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.241 34.095 31.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.400 34.703 29.533 1.00 0.00 H new ATOM 114 N THR A 7 29.791 31.778 26.529 1.00 0.00 N ATOM 115 CA THR A 7 31.198 31.459 26.418 1.00 0.00 C ATOM 116 C THR A 7 31.845 31.568 27.800 1.00 0.00 C ATOM 117 O THR A 7 31.249 32.131 28.716 1.00 0.00 O ATOM 118 CB THR A 7 31.808 32.544 25.521 1.00 0.00 C ATOM 119 OG1 THR A 7 31.469 33.853 25.920 1.00 0.00 O ATOM 120 CG2 THR A 7 31.535 32.174 24.056 1.00 0.00 C ATOM 0 H THR A 7 29.589 32.767 26.673 1.00 0.00 H new ATOM 0 HA THR A 7 31.351 30.455 26.021 1.00 0.00 H new ATOM 0 HB THR A 7 32.892 32.570 25.636 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.567 34.068 25.603 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.962 32.935 23.403 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.990 31.209 23.834 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.459 32.115 23.890 1.00 0.00 H new ATOM 128 N LEU A 8 33.083 31.135 28.012 1.00 0.00 N ATOM 129 CA LEU A 8 33.863 31.426 29.193 1.00 0.00 C ATOM 130 C LEU A 8 34.334 32.881 29.174 1.00 0.00 C ATOM 131 O LEU A 8 34.376 33.511 30.224 1.00 0.00 O ATOM 132 CB LEU A 8 35.118 30.562 29.255 1.00 0.00 C ATOM 133 CG LEU A 8 35.070 29.052 29.495 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.501 28.727 30.878 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.672 28.118 28.347 1.00 0.00 C ATOM 0 H LEU A 8 33.581 30.553 27.339 1.00 0.00 H new ATOM 0 HA LEU A 8 33.221 31.227 30.051 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.645 30.710 28.312 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.746 30.982 30.041 1.00 0.00 H new ATOM 0 HG LEU A 8 36.121 28.763 29.499 1.00 0.00 H new ATOM 0 HD11 LEU A 8 34.480 27.646 31.018 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.129 29.180 31.645 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.489 29.123 30.957 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.691 27.085 28.695 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.667 28.368 28.007 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.374 28.236 27.522 1.00 0.00 H new ATOM 147 N THR A 9 34.782 33.461 28.063 1.00 0.00 N ATOM 148 CA THR A 9 35.184 34.823 27.780 1.00 0.00 C ATOM 149 C THR A 9 34.201 35.924 28.185 1.00 0.00 C ATOM 150 O THR A 9 34.623 37.053 28.414 1.00 0.00 O ATOM 151 CB THR A 9 35.746 34.944 26.370 1.00 0.00 C ATOM 152 OG1 THR A 9 34.751 34.690 25.405 1.00 0.00 O ATOM 153 CG2 THR A 9 36.903 33.967 26.177 1.00 0.00 C ATOM 0 H THR A 9 34.883 32.894 27.221 1.00 0.00 H new ATOM 0 HA THR A 9 36.001 35.033 28.471 1.00 0.00 H new ATOM 0 HB THR A 9 36.106 35.965 26.240 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.136 34.775 24.508 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.296 34.064 25.165 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.692 34.191 26.895 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.549 32.948 26.333 1.00 0.00 H new ATOM 161 N GLY A 10 32.893 35.680 28.103 1.00 0.00 N ATOM 162 CA GLY A 10 31.802 36.326 28.799 1.00 0.00 C ATOM 163 C GLY A 10 30.814 37.123 27.934 1.00 0.00 C ATOM 164 O GLY A 10 30.153 38.025 28.436 1.00 0.00 O ATOM 0 H GLY A 10 32.546 34.949 27.482 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.243 35.563 29.340 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.224 37.000 29.544 1.00 0.00 H new ATOM 168 N LYS A 11 30.694 36.704 26.669 1.00 0.00 N ATOM 169 CA LYS A 11 29.646 37.145 25.772 1.00 0.00 C ATOM 170 C LYS A 11 28.626 36.008 25.782 1.00 0.00 C ATOM 171 O LYS A 11 28.943 34.836 25.624 1.00 0.00 O ATOM 172 CB LYS A 11 30.083 37.057 24.312 1.00 0.00 C ATOM 173 CG LYS A 11 31.183 38.002 23.820 1.00 0.00 C ATOM 174 CD LYS A 11 31.946 37.641 22.545 1.00 0.00 C ATOM 175 CE LYS A 11 32.614 38.711 21.686 1.00 0.00 C ATOM 176 NZ LYS A 11 33.316 38.154 20.519 1.00 0.00 N ATOM 0 H LYS A 11 31.338 36.038 26.243 1.00 0.00 H new ATOM 0 HA LYS A 11 29.336 38.146 26.071 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.416 36.036 24.127 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.202 37.222 23.692 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.733 38.983 23.669 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.912 38.106 24.623 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.724 36.933 22.831 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.249 37.106 21.900 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.859 39.419 21.345 1.00 0.00 H new ATOM 0 HE3 LYS A 11 33.323 39.270 22.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 34.123 38.763 20.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.659 37.198 20.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.663 38.106 19.711 1.00 0.00 H new ATOM 190 N THR A 12 27.374 36.393 26.025 1.00 0.00 N ATOM 191 CA THR A 12 26.222 35.544 25.800 1.00 0.00 C ATOM 192 C THR A 12 25.843 35.843 24.348 1.00 0.00 C ATOM 193 O THR A 12 25.181 36.851 24.117 1.00 0.00 O ATOM 194 CB THR A 12 25.105 35.890 26.796 1.00 0.00 C ATOM 195 OG1 THR A 12 25.504 35.653 28.125 1.00 0.00 O ATOM 196 CG2 THR A 12 23.898 34.977 26.559 1.00 0.00 C ATOM 0 H THR A 12 27.136 37.316 26.388 1.00 0.00 H new ATOM 0 HA THR A 12 26.412 34.482 25.953 1.00 0.00 H new ATOM 0 HB THR A 12 24.868 36.943 26.646 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.067 36.299 28.718 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.108 35.226 27.268 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.530 35.117 25.542 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.195 33.938 26.698 1.00 0.00 H new ATOM 204 N ILE A 13 26.186 34.975 23.396 1.00 0.00 N ATOM 205 CA ILE A 13 25.902 35.252 22.006 1.00 0.00 C ATOM 206 C ILE A 13 24.438 35.587 21.696 1.00 0.00 C ATOM 207 O ILE A 13 24.240 36.570 20.982 1.00 0.00 O ATOM 208 CB ILE A 13 26.416 34.143 21.088 1.00 0.00 C ATOM 209 CG1 ILE A 13 27.850 33.638 21.286 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.200 34.305 19.582 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.934 34.718 21.276 1.00 0.00 C ATOM 0 H ILE A 13 26.656 34.086 23.568 1.00 0.00 H new ATOM 0 HA ILE A 13 26.455 36.168 21.798 1.00 0.00 H new ATOM 0 HB ILE A 13 25.728 33.389 21.471 1.00 0.00 H new ATOM 0 HG12 ILE A 13 27.901 33.105 22.235 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.074 32.915 20.502 1.00 0.00 H new ATOM 0 HG21 ILE A 13 26.616 33.443 19.060 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.133 34.375 19.373 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.698 35.212 19.239 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.910 34.255 21.424 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.920 35.238 20.318 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.745 35.431 22.079 1.00 0.00 H new ATOM 223 N THR A 14 23.424 34.853 22.132 1.00 0.00 N ATOM 224 CA THR A 14 21.998 35.072 21.986 1.00 0.00 C ATOM 225 C THR A 14 21.609 34.748 20.545 1.00 0.00 C ATOM 226 O THR A 14 21.096 35.597 19.828 1.00 0.00 O ATOM 227 CB THR A 14 21.634 36.477 22.486 1.00 0.00 C ATOM 228 OG1 THR A 14 21.992 36.583 23.847 1.00 0.00 O ATOM 229 CG2 THR A 14 20.159 36.852 22.444 1.00 0.00 C ATOM 0 H THR A 14 23.605 33.996 22.654 1.00 0.00 H new ATOM 0 HA THR A 14 21.404 34.405 22.611 1.00 0.00 H new ATOM 0 HB THR A 14 22.167 37.140 21.804 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.387 36.034 24.388 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.031 37.866 22.822 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.799 36.800 21.416 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.590 36.159 23.063 1.00 0.00 H new ATOM 237 N LEU A 15 22.020 33.577 20.065 1.00 0.00 N ATOM 238 CA LEU A 15 21.920 33.229 18.667 1.00 0.00 C ATOM 239 C LEU A 15 20.458 32.893 18.363 1.00 0.00 C ATOM 240 O LEU A 15 19.872 32.087 19.082 1.00 0.00 O ATOM 241 CB LEU A 15 22.804 32.004 18.411 1.00 0.00 C ATOM 242 CG LEU A 15 23.208 31.754 16.950 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.340 32.697 16.542 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.593 30.280 16.870 1.00 0.00 C ATOM 0 H LEU A 15 22.432 32.846 20.645 1.00 0.00 H new ATOM 0 HA LEU A 15 22.247 34.051 18.030 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.712 32.106 19.005 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.281 31.121 18.778 1.00 0.00 H new ATOM 0 HG LEU A 15 22.399 31.961 16.250 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.615 32.508 15.504 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.009 33.730 16.647 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.205 32.527 17.183 1.00 0.00 H new ATOM 0 HD21 LEU A 15 23.892 30.037 15.850 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.423 30.083 17.548 1.00 0.00 H new ATOM 0 HD23 LEU A 15 22.739 29.665 17.154 1.00 0.00 H new ATOM 256 N GLU A 16 19.876 33.536 17.350 1.00 0.00 N ATOM 257 CA GLU A 16 18.655 33.134 16.693 1.00 0.00 C ATOM 258 C GLU A 16 18.928 32.036 15.658 1.00 0.00 C ATOM 259 O GLU A 16 19.724 32.123 14.729 1.00 0.00 O ATOM 260 CB GLU A 16 18.171 34.350 15.903 1.00 0.00 C ATOM 261 CG GLU A 16 16.865 34.325 15.110 1.00 0.00 C ATOM 262 CD GLU A 16 15.700 34.134 16.058 1.00 0.00 C ATOM 263 OE1 GLU A 16 15.849 34.684 17.175 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.760 33.393 15.686 1.00 0.00 O ATOM 0 H GLU A 16 20.270 34.390 16.955 1.00 0.00 H new ATOM 0 HA GLU A 16 17.943 32.774 17.435 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.095 35.176 16.610 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.963 34.605 15.199 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.747 35.256 14.555 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.888 33.518 14.378 1.00 0.00 H new ATOM 271 N VAL A 17 18.340 30.890 15.977 1.00 0.00 N ATOM 272 CA VAL A 17 18.253 29.602 15.300 1.00 0.00 C ATOM 273 C VAL A 17 16.866 29.301 14.750 1.00 0.00 C ATOM 274 O VAL A 17 15.848 29.860 15.168 1.00 0.00 O ATOM 275 CB VAL A 17 18.816 28.530 16.230 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.216 28.879 16.738 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.000 28.072 17.445 1.00 0.00 C ATOM 0 H VAL A 17 17.832 30.838 16.860 1.00 0.00 H new ATOM 0 HA VAL A 17 18.864 29.623 14.398 1.00 0.00 H new ATOM 0 HB VAL A 17 18.797 27.686 15.541 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.573 28.086 17.395 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.895 28.982 15.892 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.179 29.818 17.290 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.555 27.308 17.989 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.816 28.923 18.101 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.048 27.660 17.110 1.00 0.00 H new ATOM 287 N GLU A 18 16.849 28.339 13.826 1.00 0.00 N ATOM 288 CA GLU A 18 15.641 27.682 13.370 1.00 0.00 C ATOM 289 C GLU A 18 15.659 26.193 13.726 1.00 0.00 C ATOM 290 O GLU A 18 16.677 25.613 14.106 1.00 0.00 O ATOM 291 CB GLU A 18 15.460 27.773 11.853 1.00 0.00 C ATOM 292 CG GLU A 18 15.116 29.142 11.289 1.00 0.00 C ATOM 293 CD GLU A 18 13.728 29.668 11.609 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.833 28.798 11.634 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.627 30.901 11.786 1.00 0.00 O ATOM 0 H GLU A 18 17.694 27.994 13.370 1.00 0.00 H new ATOM 0 HA GLU A 18 14.822 28.199 13.870 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.380 27.431 11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.673 27.077 11.562 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.848 29.859 11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.227 29.104 10.205 1.00 0.00 H new ATOM 302 N PRO A 19 14.502 25.540 13.850 1.00 0.00 N ATOM 303 CA PRO A 19 14.522 24.171 14.339 1.00 0.00 C ATOM 304 C PRO A 19 14.935 23.167 13.262 1.00 0.00 C ATOM 305 O PRO A 19 14.995 21.977 13.562 1.00 0.00 O ATOM 306 CB PRO A 19 13.087 23.913 14.809 1.00 0.00 C ATOM 307 CG PRO A 19 12.186 24.960 14.147 1.00 0.00 C ATOM 308 CD PRO A 19 13.164 26.052 13.692 1.00 0.00 C ATOM 0 HA PRO A 19 15.258 24.045 15.133 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.770 22.907 14.535 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.021 23.983 15.895 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.636 24.539 13.305 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.447 25.351 14.846 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.979 26.321 12.652 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.029 26.957 14.285 1.00 0.00 H new ATOM 316 N SER A 20 15.151 23.608 12.025 1.00 0.00 N ATOM 317 CA SER A 20 15.782 22.883 10.943 1.00 0.00 C ATOM 318 C SER A 20 17.309 22.936 11.041 1.00 0.00 C ATOM 319 O SER A 20 17.996 22.248 10.284 1.00 0.00 O ATOM 320 CB SER A 20 15.306 23.458 9.613 1.00 0.00 C ATOM 321 OG SER A 20 15.483 24.849 9.455 1.00 0.00 O ATOM 0 H SER A 20 14.868 24.546 11.741 1.00 0.00 H new ATOM 0 HA SER A 20 15.495 21.834 11.012 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.834 22.948 8.807 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.247 23.228 9.496 1.00 0.00 H new ATOM 0 HG SER A 20 15.151 25.123 8.575 1.00 0.00 H new ATOM 327 N ASP A 21 17.907 23.814 11.841 1.00 0.00 N ATOM 328 CA ASP A 21 19.337 23.991 12.041 1.00 0.00 C ATOM 329 C ASP A 21 19.858 22.707 12.699 1.00 0.00 C ATOM 330 O ASP A 21 19.334 22.256 13.712 1.00 0.00 O ATOM 331 CB ASP A 21 19.661 25.220 12.878 1.00 0.00 C ATOM 332 CG ASP A 21 19.658 26.598 12.229 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.075 26.720 11.055 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.222 27.588 12.850 1.00 0.00 O ATOM 0 H ASP A 21 17.363 24.466 12.406 1.00 0.00 H new ATOM 0 HA ASP A 21 19.827 24.163 11.083 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.950 25.248 13.704 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.649 25.067 13.312 1.00 0.00 H new ATOM 339 N THR A 22 20.825 22.116 12.005 1.00 0.00 N ATOM 340 CA THR A 22 21.590 20.978 12.467 1.00 0.00 C ATOM 341 C THR A 22 22.733 21.570 13.294 1.00 0.00 C ATOM 342 O THR A 22 23.052 22.763 13.226 1.00 0.00 O ATOM 343 CB THR A 22 22.106 20.132 11.300 1.00 0.00 C ATOM 344 OG1 THR A 22 23.009 20.854 10.480 1.00 0.00 O ATOM 345 CG2 THR A 22 20.997 19.568 10.415 1.00 0.00 C ATOM 0 H THR A 22 21.102 22.431 11.075 1.00 0.00 H new ATOM 0 HA THR A 22 20.980 20.297 13.061 1.00 0.00 H new ATOM 0 HB THR A 22 22.620 19.297 11.777 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.317 20.280 9.748 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.438 18.980 9.610 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.343 18.933 11.012 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.418 20.388 9.990 1.00 0.00 H new ATOM 353 N ILE A 23 23.343 20.810 14.198 1.00 0.00 N ATOM 354 CA ILE A 23 24.467 21.180 15.028 1.00 0.00 C ATOM 355 C ILE A 23 25.561 21.946 14.285 1.00 0.00 C ATOM 356 O ILE A 23 25.998 22.967 14.816 1.00 0.00 O ATOM 357 CB ILE A 23 24.935 20.098 16.008 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.783 19.441 16.768 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.134 20.427 16.910 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.898 20.404 17.555 1.00 0.00 C ATOM 0 H ILE A 23 23.038 19.853 14.377 1.00 0.00 H new ATOM 0 HA ILE A 23 24.071 21.929 15.713 1.00 0.00 H new ATOM 0 HB ILE A 23 25.357 19.354 15.332 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.161 18.898 16.056 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.196 18.704 17.457 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.353 19.572 17.550 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.004 20.650 16.292 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.897 21.292 17.529 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.110 19.844 18.059 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.501 20.930 18.295 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.450 21.127 16.873 1.00 0.00 H new ATOM 372 N GLU A 24 25.928 21.522 13.083 1.00 0.00 N ATOM 373 CA GLU A 24 26.885 22.130 12.186 1.00 0.00 C ATOM 374 C GLU A 24 26.510 23.535 11.716 1.00 0.00 C ATOM 375 O GLU A 24 27.290 24.473 11.594 1.00 0.00 O ATOM 376 CB GLU A 24 27.047 21.186 10.987 1.00 0.00 C ATOM 377 CG GLU A 24 28.445 21.272 10.364 1.00 0.00 C ATOM 378 CD GLU A 24 29.472 20.268 10.855 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.297 19.709 11.953 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.323 19.873 10.025 1.00 0.00 O ATOM 0 H GLU A 24 25.527 20.673 12.683 1.00 0.00 H new ATOM 0 HA GLU A 24 27.819 22.266 12.732 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.856 20.161 11.306 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.300 21.430 10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.345 21.156 9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.836 22.274 10.542 1.00 0.00 H new ATOM 387 N ASN A 25 25.205 23.684 11.507 1.00 0.00 N ATOM 388 CA ASN A 25 24.655 24.951 11.049 1.00 0.00 C ATOM 389 C ASN A 25 24.575 25.936 12.213 1.00 0.00 C ATOM 390 O ASN A 25 24.806 27.127 12.024 1.00 0.00 O ATOM 391 CB ASN A 25 23.240 24.770 10.508 1.00 0.00 C ATOM 392 CG ASN A 25 22.900 25.609 9.285 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.557 25.472 8.255 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.876 26.471 9.328 1.00 0.00 N ATOM 0 H ASN A 25 24.514 22.947 11.647 1.00 0.00 H new ATOM 0 HA ASN A 25 25.310 25.326 10.263 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.096 23.719 10.259 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.532 25.010 11.301 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.636 27.020 8.502 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.336 26.579 10.186 1.00 0.00 H new ATOM 401 N VAL A 26 24.297 25.543 13.450 1.00 0.00 N ATOM 402 CA VAL A 26 24.436 26.387 14.616 1.00 0.00 C ATOM 403 C VAL A 26 25.903 26.829 14.712 1.00 0.00 C ATOM 404 O VAL A 26 26.193 28.002 14.934 1.00 0.00 O ATOM 405 CB VAL A 26 23.699 25.697 15.765 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.646 26.502 17.054 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.230 25.484 15.371 1.00 0.00 C ATOM 0 H VAL A 26 23.961 24.605 13.669 1.00 0.00 H new ATOM 0 HA VAL A 26 23.944 27.360 14.606 1.00 0.00 H new ATOM 0 HB VAL A 26 24.256 24.777 15.940 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.106 25.937 17.814 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.660 26.699 17.402 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.134 27.447 16.872 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.702 24.992 16.188 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.765 26.448 15.166 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.179 24.860 14.479 1.00 0.00 H new ATOM 417 N LYS A 27 26.874 25.944 14.523 1.00 0.00 N ATOM 418 CA LYS A 27 28.286 26.245 14.642 1.00 0.00 C ATOM 419 C LYS A 27 28.785 27.244 13.599 1.00 0.00 C ATOM 420 O LYS A 27 29.639 28.085 13.884 1.00 0.00 O ATOM 421 CB LYS A 27 29.158 24.988 14.509 1.00 0.00 C ATOM 422 CG LYS A 27 29.112 24.051 15.718 1.00 0.00 C ATOM 423 CD LYS A 27 29.997 22.835 15.442 1.00 0.00 C ATOM 424 CE LYS A 27 29.927 21.779 16.545 1.00 0.00 C ATOM 425 NZ LYS A 27 30.974 20.757 16.364 1.00 0.00 N ATOM 0 H LYS A 27 26.691 24.971 14.276 1.00 0.00 H new ATOM 0 HA LYS A 27 28.380 26.680 15.637 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.842 24.435 13.625 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.191 25.294 14.342 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.457 24.572 16.611 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.087 23.734 15.910 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.699 22.384 14.496 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.030 23.164 15.327 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.044 22.256 17.518 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.946 21.305 16.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.327 20.453 17.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.577 19.939 15.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.758 21.157 15.810 1.00 0.00 H new ATOM 439 N ALA A 28 28.254 27.082 12.384 1.00 0.00 N ATOM 440 CA ALA A 28 28.311 28.007 11.278 1.00 0.00 C ATOM 441 C ALA A 28 27.771 29.394 11.630 1.00 0.00 C ATOM 442 O ALA A 28 28.465 30.393 11.433 1.00 0.00 O ATOM 443 CB ALA A 28 27.675 27.367 10.045 1.00 0.00 C ATOM 0 H ALA A 28 27.738 26.236 12.143 1.00 0.00 H new ATOM 0 HA ALA A 28 29.355 28.205 11.033 1.00 0.00 H new ATOM 0 HB1 ALA A 28 27.718 28.066 9.209 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.218 26.458 9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.635 27.120 10.259 1.00 0.00 H new ATOM 449 N LYS A 29 26.562 29.473 12.191 1.00 0.00 N ATOM 450 CA LYS A 29 25.913 30.639 12.738 1.00 0.00 C ATOM 451 C LYS A 29 26.677 31.289 13.893 1.00 0.00 C ATOM 452 O LYS A 29 26.550 32.508 14.038 1.00 0.00 O ATOM 453 CB LYS A 29 24.457 30.309 13.059 1.00 0.00 C ATOM 454 CG LYS A 29 23.453 30.412 11.907 1.00 0.00 C ATOM 455 CD LYS A 29 21.976 30.234 12.266 1.00 0.00 C ATOM 456 CE LYS A 29 21.011 29.986 11.102 1.00 0.00 C ATOM 457 NZ LYS A 29 19.603 29.792 11.479 1.00 0.00 N ATOM 0 H LYS A 29 25.972 28.645 12.275 1.00 0.00 H new ATOM 0 HA LYS A 29 25.918 31.419 11.976 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.418 29.293 13.453 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.127 30.973 13.857 1.00 0.00 H new ATOM 0 HG2 LYS A 29 23.574 31.388 11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 29 23.714 29.663 11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 29 21.893 29.398 12.961 1.00 0.00 H new ATOM 0 HD3 LYS A 29 21.645 31.126 12.798 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.072 30.830 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.347 29.105 10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.089 29.355 10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.549 29.172 12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.174 30.712 11.704 1.00 0.00 H new ATOM 471 N ILE A 30 27.500 30.577 14.655 1.00 0.00 N ATOM 472 CA ILE A 30 28.397 31.131 15.649 1.00 0.00 C ATOM 473 C ILE A 30 29.739 31.534 15.019 1.00 0.00 C ATOM 474 O ILE A 30 30.246 32.613 15.331 1.00 0.00 O ATOM 475 CB ILE A 30 28.584 30.108 16.778 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.237 30.002 17.499 1.00 0.00 C ATOM 477 CG2 ILE A 30 29.732 30.280 17.765 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.204 28.894 18.559 1.00 0.00 C ATOM 0 H ILE A 30 27.559 29.561 14.591 1.00 0.00 H new ATOM 0 HA ILE A 30 27.962 32.040 16.066 1.00 0.00 H new ATOM 0 HB ILE A 30 28.904 29.191 16.283 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.010 30.957 17.974 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.453 29.817 16.765 1.00 0.00 H new ATOM 0 HG21 ILE A 30 29.711 29.468 18.492 1.00 0.00 H new ATOM 0 HG22 ILE A 30 30.680 30.261 17.227 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.627 31.234 18.283 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.222 28.872 19.032 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.400 27.932 18.086 1.00 0.00 H new ATOM 0 HD13 ILE A 30 27.966 29.089 19.313 1.00 0.00 H new ATOM 490 N GLN A 31 30.304 30.721 14.137 1.00 0.00 N ATOM 491 CA GLN A 31 31.597 30.902 13.516 1.00 0.00 C ATOM 492 C GLN A 31 31.679 32.225 12.748 1.00 0.00 C ATOM 493 O GLN A 31 32.756 32.790 12.572 1.00 0.00 O ATOM 494 CB GLN A 31 31.935 29.762 12.551 1.00 0.00 C ATOM 495 CG GLN A 31 33.321 29.917 11.922 1.00 0.00 C ATOM 496 CD GLN A 31 33.943 28.782 11.129 1.00 0.00 C ATOM 497 OE1 GLN A 31 35.136 28.701 10.828 1.00 0.00 O ATOM 498 NE2 GLN A 31 33.163 27.761 10.804 1.00 0.00 N ATOM 0 H GLN A 31 29.840 29.869 13.821 1.00 0.00 H new ATOM 0 HA GLN A 31 32.319 30.909 14.333 1.00 0.00 H new ATOM 0 HB2 GLN A 31 31.886 28.813 13.084 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.184 29.724 11.762 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.279 30.784 11.262 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.013 30.163 12.727 1.00 0.00 H new ATOM 0 HE21 GLN A 31 32.169 27.785 11.034 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.556 26.951 10.324 1.00 0.00 H new ATOM 507 N ASP A 32 30.560 32.785 12.298 1.00 0.00 N ATOM 508 CA ASP A 32 30.321 34.124 11.808 1.00 0.00 C ATOM 509 C ASP A 32 30.808 35.153 12.827 1.00 0.00 C ATOM 510 O ASP A 32 31.651 36.001 12.526 1.00 0.00 O ATOM 511 CB ASP A 32 28.874 34.370 11.365 1.00 0.00 C ATOM 512 CG ASP A 32 28.545 35.763 10.841 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.374 36.579 10.400 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.322 36.042 10.853 1.00 0.00 O ATOM 0 H ASP A 32 29.700 32.237 12.268 1.00 0.00 H new ATOM 0 HA ASP A 32 30.906 34.241 10.896 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.629 33.647 10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.219 34.161 12.211 1.00 0.00 H new ATOM 519 N LYS A 33 30.353 35.054 14.066 1.00 0.00 N ATOM 520 CA LYS A 33 30.558 36.042 15.109 1.00 0.00 C ATOM 521 C LYS A 33 31.897 35.810 15.811 1.00 0.00 C ATOM 522 O LYS A 33 32.579 36.818 16.016 1.00 0.00 O ATOM 523 CB LYS A 33 29.367 35.941 16.067 1.00 0.00 C ATOM 524 CG LYS A 33 28.031 35.537 15.459 1.00 0.00 C ATOM 525 CD LYS A 33 27.373 36.543 14.514 1.00 0.00 C ATOM 526 CE LYS A 33 26.052 36.069 13.892 1.00 0.00 C ATOM 527 NZ LYS A 33 25.614 36.806 12.696 1.00 0.00 N ATOM 0 H LYS A 33 29.810 34.251 14.383 1.00 0.00 H new ATOM 0 HA LYS A 33 30.607 37.051 14.699 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.618 35.221 16.846 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.240 36.907 16.555 1.00 0.00 H new ATOM 0 HG2 LYS A 33 28.173 34.603 14.916 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.336 35.330 16.273 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.190 37.468 15.060 1.00 0.00 H new ATOM 0 HD3 LYS A 33 28.072 36.779 13.712 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.151 35.015 13.632 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.269 36.139 14.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.591 36.673 12.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.819 37.818 12.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.122 36.448 11.862 1.00 0.00 H new ATOM 541 N GLU A 34 32.199 34.579 16.220 1.00 0.00 N ATOM 542 CA GLU A 34 33.198 34.171 17.181 1.00 0.00 C ATOM 543 C GLU A 34 34.403 33.427 16.594 1.00 0.00 C ATOM 544 O GLU A 34 35.461 33.328 17.218 1.00 0.00 O ATOM 545 CB GLU A 34 32.539 33.361 18.306 1.00 0.00 C ATOM 546 CG GLU A 34 31.556 34.145 19.165 1.00 0.00 C ATOM 547 CD GLU A 34 32.157 35.478 19.611 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.088 35.459 20.448 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.564 36.496 19.196 1.00 0.00 O ATOM 0 H GLU A 34 31.698 33.773 15.846 1.00 0.00 H new ATOM 0 HA GLU A 34 33.621 35.094 17.579 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.018 32.511 17.865 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.320 32.957 18.950 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.640 34.326 18.602 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.282 33.555 20.040 1.00 0.00 H new ATOM 556 N GLY A 35 34.273 32.882 15.388 1.00 0.00 N ATOM 557 CA GLY A 35 35.341 32.462 14.513 1.00 0.00 C ATOM 558 C GLY A 35 35.866 31.030 14.516 1.00 0.00 C ATOM 559 O GLY A 35 36.668 30.631 13.671 1.00 0.00 O ATOM 0 H GLY A 35 33.354 32.715 14.977 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.017 32.677 13.495 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.192 33.110 14.721 1.00 0.00 H new ATOM 563 N ILE A 36 35.394 30.322 15.542 1.00 0.00 N ATOM 564 CA ILE A 36 35.863 29.078 16.101 1.00 0.00 C ATOM 565 C ILE A 36 35.692 27.943 15.092 1.00 0.00 C ATOM 566 O ILE A 36 34.529 27.671 14.795 1.00 0.00 O ATOM 567 CB ILE A 36 35.141 28.742 17.408 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.242 29.902 18.397 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.755 27.479 18.034 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.588 30.503 18.812 1.00 0.00 C ATOM 0 H ILE A 36 34.577 30.657 16.053 1.00 0.00 H new ATOM 0 HA ILE A 36 36.923 29.194 16.327 1.00 0.00 H new ATOM 0 HB ILE A 36 34.089 28.565 17.183 1.00 0.00 H new ATOM 0 HG12 ILE A 36 34.648 30.718 17.986 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.748 29.578 19.313 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.237 27.245 18.964 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.653 26.643 17.342 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.811 27.652 18.241 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.421 31.314 19.521 1.00 0.00 H new ATOM 0 HD12 ILE A 36 37.202 29.733 19.279 1.00 0.00 H new ATOM 0 HD13 ILE A 36 37.100 30.891 17.931 1.00 0.00 H new ATOM 582 N PRO A 37 36.648 27.166 14.602 1.00 0.00 N ATOM 583 CA PRO A 37 36.469 26.085 13.649 1.00 0.00 C ATOM 584 C PRO A 37 35.608 24.932 14.171 1.00 0.00 C ATOM 585 O PRO A 37 35.750 24.664 15.364 1.00 0.00 O ATOM 586 CB PRO A 37 37.825 25.424 13.415 1.00 0.00 C ATOM 587 CG PRO A 37 38.772 26.590 13.708 1.00 0.00 C ATOM 588 CD PRO A 37 38.068 27.459 14.743 1.00 0.00 C ATOM 0 HA PRO A 37 36.004 26.542 12.776 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.993 24.579 14.083 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.932 25.052 12.396 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.728 26.229 14.088 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.983 27.158 12.802 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.417 27.230 15.750 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.269 28.516 14.569 1.00 0.00 H new ATOM 596 N PRO A 38 34.744 24.286 13.398 1.00 0.00 N ATOM 597 CA PRO A 38 33.745 23.318 13.801 1.00 0.00 C ATOM 598 C PRO A 38 34.191 22.191 14.722 1.00 0.00 C ATOM 599 O PRO A 38 33.375 21.847 15.577 1.00 0.00 O ATOM 600 CB PRO A 38 33.045 22.814 12.542 1.00 0.00 C ATOM 601 CG PRO A 38 33.224 23.931 11.516 1.00 0.00 C ATOM 602 CD PRO A 38 34.451 24.685 12.039 1.00 0.00 C ATOM 0 HA PRO A 38 33.055 23.848 14.457 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.487 21.881 12.191 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.990 22.616 12.730 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.390 23.536 10.514 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.346 24.575 11.463 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.310 24.482 11.400 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.270 25.759 11.999 1.00 0.00 H new ATOM 610 N ASP A 39 35.347 21.556 14.556 1.00 0.00 N ATOM 611 CA ASP A 39 35.905 20.474 15.345 1.00 0.00 C ATOM 612 C ASP A 39 36.520 21.084 16.599 1.00 0.00 C ATOM 613 O ASP A 39 36.485 20.447 17.647 1.00 0.00 O ATOM 614 CB ASP A 39 37.032 19.719 14.640 1.00 0.00 C ATOM 615 CG ASP A 39 37.673 18.590 15.431 1.00 0.00 C ATOM 616 OD1 ASP A 39 36.940 17.676 15.859 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.911 18.494 15.579 1.00 0.00 O ATOM 0 H ASP A 39 35.972 21.814 13.792 1.00 0.00 H new ATOM 0 HA ASP A 39 35.093 19.774 15.541 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.641 19.308 13.709 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.809 20.434 14.371 1.00 0.00 H new ATOM 622 N GLN A 40 37.028 22.316 16.528 1.00 0.00 N ATOM 623 CA GLN A 40 37.530 23.119 17.615 1.00 0.00 C ATOM 624 C GLN A 40 36.486 23.686 18.573 1.00 0.00 C ATOM 625 O GLN A 40 36.814 24.317 19.583 1.00 0.00 O ATOM 626 CB GLN A 40 38.372 24.280 17.070 1.00 0.00 C ATOM 627 CG GLN A 40 39.259 24.995 18.083 1.00 0.00 C ATOM 628 CD GLN A 40 40.260 24.141 18.853 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.493 24.240 20.060 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.980 23.287 18.141 1.00 0.00 N ATOM 0 H GLN A 40 37.099 22.804 15.635 1.00 0.00 H new ATOM 0 HA GLN A 40 38.122 22.419 18.205 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.004 23.899 16.268 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.699 25.013 16.625 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.812 25.774 17.558 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.613 25.494 18.806 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.808 23.185 17.141 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.706 22.731 18.593 1.00 0.00 H new ATOM 639 N GLN A 41 35.207 23.461 18.302 1.00 0.00 N ATOM 640 CA GLN A 41 33.966 23.921 18.884 1.00 0.00 C ATOM 641 C GLN A 41 33.129 22.738 19.390 1.00 0.00 C ATOM 642 O GLN A 41 32.820 21.807 18.645 1.00 0.00 O ATOM 643 CB GLN A 41 33.206 24.746 17.849 1.00 0.00 C ATOM 644 CG GLN A 41 32.005 25.416 18.522 1.00 0.00 C ATOM 645 CD GLN A 41 31.334 26.423 17.605 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.221 26.793 17.966 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.877 26.907 16.491 1.00 0.00 N ATOM 0 H GLN A 41 34.990 22.836 17.525 1.00 0.00 H new ATOM 0 HA GLN A 41 34.179 24.551 19.747 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.862 25.500 17.415 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.871 24.107 17.032 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.282 24.655 18.817 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.332 25.916 19.434 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.803 26.595 16.197 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.368 27.590 15.931 1.00 0.00 H new ATOM 656 N ARG A 42 32.777 22.726 20.664 1.00 0.00 N ATOM 657 CA ARG A 42 31.919 21.775 21.354 1.00 0.00 C ATOM 658 C ARG A 42 30.972 22.620 22.213 1.00 0.00 C ATOM 659 O ARG A 42 31.368 23.660 22.748 1.00 0.00 O ATOM 660 CB ARG A 42 32.665 20.768 22.228 1.00 0.00 C ATOM 661 CG ARG A 42 33.705 19.990 21.414 1.00 0.00 C ATOM 662 CD ARG A 42 34.371 18.885 22.236 1.00 0.00 C ATOM 663 NE ARG A 42 35.000 17.859 21.416 1.00 0.00 N ATOM 664 CZ ARG A 42 36.227 17.362 21.581 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.989 17.634 22.651 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.787 16.613 20.613 1.00 0.00 N ATOM 0 H ARG A 42 33.115 23.447 21.301 1.00 0.00 H new ATOM 0 HA ARG A 42 31.403 21.162 20.615 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.158 21.290 23.048 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.954 20.072 22.674 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.225 19.551 20.539 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.467 20.678 21.048 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.122 19.330 22.889 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.624 18.419 22.879 1.00 0.00 H new ATOM 0 HE ARG A 42 34.450 17.485 20.642 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.636 18.247 23.386 1.00 0.00 H new ATOM 0 HH12 ARG A 42 37.921 17.228 22.729 1.00 0.00 H new ATOM 0 HH21 ARG A 42 36.273 16.425 19.752 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.725 16.234 20.740 1.00 0.00 H new ATOM 680 N LEU A 43 29.707 22.203 22.198 1.00 0.00 N ATOM 681 CA LEU A 43 28.556 22.830 22.798 1.00 0.00 C ATOM 682 C LEU A 43 28.062 21.938 23.936 1.00 0.00 C ATOM 683 O LEU A 43 27.614 20.824 23.652 1.00 0.00 O ATOM 684 CB LEU A 43 27.445 23.150 21.801 1.00 0.00 C ATOM 685 CG LEU A 43 27.844 23.949 20.559 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.837 23.922 19.406 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.177 25.414 20.897 1.00 0.00 C ATOM 0 H LEU A 43 29.451 21.339 21.720 1.00 0.00 H new ATOM 0 HA LEU A 43 28.859 23.802 23.188 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.002 22.210 21.473 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.666 23.704 22.326 1.00 0.00 H new ATOM 0 HG LEU A 43 28.734 23.428 20.206 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.217 24.519 18.577 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.690 22.894 19.075 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.886 24.334 19.744 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.455 25.944 19.986 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.305 25.892 21.343 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.008 25.445 21.602 1.00 0.00 H new ATOM 699 N ILE A 44 28.182 22.406 25.176 1.00 0.00 N ATOM 700 CA ILE A 44 27.701 21.730 26.371 1.00 0.00 C ATOM 701 C ILE A 44 26.353 22.351 26.740 1.00 0.00 C ATOM 702 O ILE A 44 26.145 23.556 26.604 1.00 0.00 O ATOM 703 CB ILE A 44 28.606 21.868 27.587 1.00 0.00 C ATOM 704 CG1 ILE A 44 30.050 21.432 27.357 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.117 21.177 28.862 1.00 0.00 C ATOM 706 CD1 ILE A 44 31.042 21.540 28.524 1.00 0.00 C ATOM 0 H ILE A 44 28.633 23.298 25.380 1.00 0.00 H new ATOM 0 HA ILE A 44 27.653 20.668 26.129 1.00 0.00 H new ATOM 0 HB ILE A 44 28.564 22.947 27.739 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.034 20.392 27.030 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.446 22.020 26.529 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.838 21.340 29.663 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.151 21.591 29.153 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.013 20.107 28.679 1.00 0.00 H new ATOM 0 HD11 ILE A 44 32.023 21.192 28.201 1.00 0.00 H new ATOM 0 HD12 ILE A 44 31.113 22.579 28.846 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.695 20.925 29.355 1.00 0.00 H new ATOM 718 N PHE A 45 25.494 21.419 27.136 1.00 0.00 N ATOM 719 CA PHE A 45 24.052 21.501 27.319 1.00 0.00 C ATOM 720 C PHE A 45 23.632 20.636 28.503 1.00 0.00 C ATOM 721 O PHE A 45 23.346 19.470 28.240 1.00 0.00 O ATOM 722 CB PHE A 45 23.210 21.412 26.056 1.00 0.00 C ATOM 723 CG PHE A 45 21.721 21.641 26.225 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.384 22.948 26.603 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.775 20.655 25.930 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.044 23.270 26.852 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.461 20.948 26.325 1.00 0.00 C ATOM 728 CZ PHE A 45 19.103 22.246 26.721 1.00 0.00 C ATOM 0 H PHE A 45 25.831 20.483 27.362 1.00 0.00 H new ATOM 0 HA PHE A 45 23.809 22.528 27.590 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.589 22.141 25.340 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.357 20.426 25.615 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.152 23.701 26.701 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.037 19.733 25.433 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.750 24.270 27.134 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.716 20.166 26.324 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.066 22.460 26.931 1.00 0.00 H new ATOM 738 N ALA A 46 23.531 21.133 29.728 1.00 0.00 N ATOM 739 CA ALA A 46 23.078 20.469 30.935 1.00 0.00 C ATOM 740 C ALA A 46 23.935 19.413 31.633 1.00 0.00 C ATOM 741 O ALA A 46 23.453 18.440 32.203 1.00 0.00 O ATOM 742 CB ALA A 46 21.638 19.975 30.796 1.00 0.00 C ATOM 0 H ALA A 46 23.789 22.102 29.915 1.00 0.00 H new ATOM 0 HA ALA A 46 23.181 21.300 31.633 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.332 19.483 31.719 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.980 20.822 30.601 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.574 19.268 29.969 1.00 0.00 H new ATOM 748 N GLY A 47 25.234 19.579 31.357 1.00 0.00 N ATOM 749 CA GLY A 47 26.339 18.719 31.705 1.00 0.00 C ATOM 750 C GLY A 47 26.903 17.906 30.540 1.00 0.00 C ATOM 751 O GLY A 47 27.959 17.288 30.655 1.00 0.00 O ATOM 0 H GLY A 47 25.552 20.397 30.837 1.00 0.00 H new ATOM 0 HA2 GLY A 47 27.138 19.329 32.126 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.016 18.032 32.487 1.00 0.00 H new ATOM 755 N LYS A 48 26.116 17.924 29.468 1.00 0.00 N ATOM 756 CA LYS A 48 26.313 16.943 28.427 1.00 0.00 C ATOM 757 C LYS A 48 26.636 17.642 27.103 1.00 0.00 C ATOM 758 O LYS A 48 26.018 18.669 26.826 1.00 0.00 O ATOM 759 CB LYS A 48 24.933 16.277 28.376 1.00 0.00 C ATOM 760 CG LYS A 48 24.924 15.119 27.376 1.00 0.00 C ATOM 761 CD LYS A 48 23.562 14.491 27.134 1.00 0.00 C ATOM 762 CE LYS A 48 23.226 13.559 28.311 1.00 0.00 C ATOM 763 NZ LYS A 48 21.978 12.826 28.087 1.00 0.00 N ATOM 0 H LYS A 48 25.360 18.589 29.307 1.00 0.00 H new ATOM 0 HA LYS A 48 27.133 16.247 28.603 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.665 15.910 29.367 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.180 17.013 28.094 1.00 0.00 H new ATOM 0 HG2 LYS A 48 25.317 15.477 26.424 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.606 14.346 27.731 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.801 15.266 27.038 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.566 13.931 26.199 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.042 12.851 28.458 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.144 14.145 29.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.787 12.209 28.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.195 13.501 27.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.065 12.247 27.228 1.00 0.00 H new ATOM 777 N GLN A 49 27.568 17.104 26.332 1.00 0.00 N ATOM 778 CA GLN A 49 27.900 17.491 24.970 1.00 0.00 C ATOM 779 C GLN A 49 26.869 16.818 24.070 1.00 0.00 C ATOM 780 O GLN A 49 26.679 15.596 24.073 1.00 0.00 O ATOM 781 CB GLN A 49 29.296 16.887 24.807 1.00 0.00 C ATOM 782 CG GLN A 49 30.352 17.663 25.602 1.00 0.00 C ATOM 783 CD GLN A 49 31.799 17.284 25.328 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.675 17.973 25.858 1.00 0.00 O ATOM 785 NE2 GLN A 49 32.139 16.232 24.600 1.00 0.00 N ATOM 0 H GLN A 49 28.151 16.335 26.663 1.00 0.00 H new ATOM 0 HA GLN A 49 27.892 18.556 24.738 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.283 15.849 25.138 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.568 16.881 23.751 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.229 18.726 25.392 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.155 17.523 26.665 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.417 15.661 24.161 1.00 0.00 H new ATOM 0 HE22 GLN A 49 33.123 15.993 24.478 1.00 0.00 H new ATOM 794 N LEU A 50 26.322 17.664 23.197 1.00 0.00 N ATOM 795 CA LEU A 50 25.348 17.209 22.218 1.00 0.00 C ATOM 796 C LEU A 50 26.143 16.664 21.029 1.00 0.00 C ATOM 797 O LEU A 50 27.123 17.267 20.598 1.00 0.00 O ATOM 798 CB LEU A 50 24.606 18.468 21.770 1.00 0.00 C ATOM 799 CG LEU A 50 23.888 19.145 22.938 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.050 20.293 22.387 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.123 18.217 23.878 1.00 0.00 C ATOM 0 H LEU A 50 26.538 18.660 23.151 1.00 0.00 H new ATOM 0 HA LEU A 50 24.665 16.452 22.603 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.312 19.167 21.322 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.881 18.209 20.998 1.00 0.00 H new ATOM 0 HG LEU A 50 24.653 19.537 23.608 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.529 20.789 23.206 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.700 21.009 21.884 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.321 19.903 21.677 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.654 18.805 24.667 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.355 17.684 23.318 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.813 17.499 24.321 1.00 0.00 H new ATOM 813 N GLU A 51 25.689 15.514 20.526 1.00 0.00 N ATOM 814 CA GLU A 51 26.376 14.727 19.524 1.00 0.00 C ATOM 815 C GLU A 51 26.127 15.401 18.181 1.00 0.00 C ATOM 816 O GLU A 51 25.154 16.111 17.898 1.00 0.00 O ATOM 817 CB GLU A 51 25.776 13.314 19.497 1.00 0.00 C ATOM 818 CG GLU A 51 26.102 12.333 18.379 1.00 0.00 C ATOM 819 CD GLU A 51 25.342 11.047 18.669 1.00 0.00 C ATOM 820 OE1 GLU A 51 24.105 10.923 18.526 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.072 10.115 19.083 1.00 0.00 O ATOM 0 H GLU A 51 24.804 15.100 20.820 1.00 0.00 H new ATOM 0 HA GLU A 51 27.442 14.659 19.739 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.057 12.832 20.433 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.692 13.430 19.511 1.00 0.00 H new ATOM 0 HG2 GLU A 51 25.810 12.742 17.412 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.175 12.144 18.334 1.00 0.00 H new ATOM 828 N ASP A 52 27.144 15.362 17.324 1.00 0.00 N ATOM 829 CA ASP A 52 27.269 16.142 16.115 1.00 0.00 C ATOM 830 C ASP A 52 26.600 15.416 14.955 1.00 0.00 C ATOM 831 O ASP A 52 26.542 14.188 14.942 1.00 0.00 O ATOM 832 CB ASP A 52 28.725 16.293 15.675 1.00 0.00 C ATOM 833 CG ASP A 52 29.338 17.575 16.227 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.989 18.741 15.918 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.250 17.374 17.053 1.00 0.00 O ATOM 0 H ASP A 52 27.944 14.747 17.471 1.00 0.00 H new ATOM 0 HA ASP A 52 26.819 17.109 16.339 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.302 15.434 16.018 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.780 16.300 14.586 1.00 0.00 H new ATOM 840 N GLY A 53 26.018 16.208 14.052 1.00 0.00 N ATOM 841 CA GLY A 53 25.242 15.721 12.935 1.00 0.00 C ATOM 842 C GLY A 53 23.725 15.879 13.115 1.00 0.00 C ATOM 843 O GLY A 53 22.937 16.019 12.195 1.00 0.00 O ATOM 0 H GLY A 53 26.081 17.225 14.087 1.00 0.00 H new ATOM 0 HA2 GLY A 53 25.548 16.252 12.034 1.00 0.00 H new ATOM 0 HA3 GLY A 53 25.472 14.667 12.778 1.00 0.00 H new ATOM 847 N ARG A 54 23.367 15.997 14.389 1.00 0.00 N ATOM 848 CA ARG A 54 22.042 15.809 14.937 1.00 0.00 C ATOM 849 C ARG A 54 21.406 17.201 14.854 1.00 0.00 C ATOM 850 O ARG A 54 21.891 18.162 14.265 1.00 0.00 O ATOM 851 CB ARG A 54 22.162 15.421 16.407 1.00 0.00 C ATOM 852 CG ARG A 54 22.905 14.108 16.678 1.00 0.00 C ATOM 853 CD ARG A 54 22.199 12.822 16.257 1.00 0.00 C ATOM 854 NE ARG A 54 20.837 12.630 16.771 1.00 0.00 N ATOM 855 CZ ARG A 54 20.566 11.937 17.888 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.480 11.288 18.625 1.00 0.00 N ATOM 857 NH2 ARG A 54 19.290 11.891 18.280 1.00 0.00 N ATOM 0 H ARG A 54 24.046 16.243 15.109 1.00 0.00 H new ATOM 0 HA ARG A 54 21.473 15.039 14.416 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.673 16.225 16.938 1.00 0.00 H new ATOM 0 HB3 ARG A 54 21.160 15.346 16.829 1.00 0.00 H new ATOM 0 HG2 ARG A 54 23.868 14.150 16.168 1.00 0.00 H new ATOM 0 HG3 ARG A 54 23.112 14.048 17.746 1.00 0.00 H new ATOM 0 HD2 ARG A 54 22.161 12.793 15.168 1.00 0.00 H new ATOM 0 HD3 ARG A 54 22.808 11.977 16.577 1.00 0.00 H new ATOM 0 HE ARG A 54 20.060 13.043 16.255 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.461 11.300 18.347 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.194 10.782 19.463 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.572 12.370 17.737 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.034 11.377 19.123 1.00 0.00 H new ATOM 871 N THR A 55 20.182 17.256 15.375 1.00 0.00 N ATOM 872 CA THR A 55 19.476 18.504 15.557 1.00 0.00 C ATOM 873 C THR A 55 19.384 18.928 17.020 1.00 0.00 C ATOM 874 O THR A 55 19.477 18.084 17.905 1.00 0.00 O ATOM 875 CB THR A 55 18.152 18.360 14.791 1.00 0.00 C ATOM 876 OG1 THR A 55 17.238 17.427 15.333 1.00 0.00 O ATOM 877 CG2 THR A 55 18.372 18.011 13.317 1.00 0.00 C ATOM 0 H THR A 55 19.660 16.434 15.679 1.00 0.00 H new ATOM 0 HA THR A 55 20.018 19.353 15.139 1.00 0.00 H new ATOM 0 HB THR A 55 17.705 19.349 14.892 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.700 16.580 15.508 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.408 17.920 12.817 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.955 18.799 12.840 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.910 17.066 13.243 1.00 0.00 H new ATOM 885 N LEU A 56 18.972 20.173 17.274 1.00 0.00 N ATOM 886 CA LEU A 56 18.533 20.738 18.529 1.00 0.00 C ATOM 887 C LEU A 56 17.176 20.154 18.899 1.00 0.00 C ATOM 888 O LEU A 56 16.793 19.992 20.058 1.00 0.00 O ATOM 889 CB LEU A 56 18.331 22.251 18.474 1.00 0.00 C ATOM 890 CG LEU A 56 19.544 23.099 18.102 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.952 24.423 17.625 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.601 23.265 19.190 1.00 0.00 C ATOM 0 H LEU A 56 18.939 20.867 16.527 1.00 0.00 H new ATOM 0 HA LEU A 56 19.316 20.503 19.250 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.538 22.461 17.756 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.974 22.581 19.450 1.00 0.00 H new ATOM 0 HG LEU A 56 20.130 22.597 17.332 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.757 25.098 17.336 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.303 24.244 16.768 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.373 24.874 18.431 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.415 23.885 18.815 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.154 23.742 20.062 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.990 22.287 19.471 1.00 0.00 H new ATOM 904 N SER A 57 16.491 19.717 17.848 1.00 0.00 N ATOM 905 CA SER A 57 15.199 19.070 18.007 1.00 0.00 C ATOM 906 C SER A 57 15.309 17.637 18.520 1.00 0.00 C ATOM 907 O SER A 57 14.317 17.119 19.025 1.00 0.00 O ATOM 908 CB SER A 57 14.579 19.041 16.612 1.00 0.00 C ATOM 909 OG SER A 57 14.030 20.311 16.325 1.00 0.00 O ATOM 0 H SER A 57 16.809 19.800 16.882 1.00 0.00 H new ATOM 0 HA SER A 57 14.607 19.618 18.740 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.334 18.781 15.870 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.804 18.276 16.560 1.00 0.00 H new ATOM 0 HG SER A 57 13.631 20.300 15.430 1.00 0.00 H new ATOM 915 N ASP A 58 16.493 17.023 18.476 1.00 0.00 N ATOM 916 CA ASP A 58 16.764 15.658 18.861 1.00 0.00 C ATOM 917 C ASP A 58 16.687 15.484 20.377 1.00 0.00 C ATOM 918 O ASP A 58 16.300 14.419 20.852 1.00 0.00 O ATOM 919 CB ASP A 58 18.144 15.211 18.383 1.00 0.00 C ATOM 920 CG ASP A 58 18.097 14.624 16.977 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.497 13.528 16.898 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.729 15.155 16.050 1.00 0.00 O ATOM 0 H ASP A 58 17.331 17.504 18.149 1.00 0.00 H new ATOM 0 HA ASP A 58 16.001 15.040 18.388 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.826 16.061 18.399 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.544 14.468 19.073 1.00 0.00 H new ATOM 927 N TYR A 59 17.146 16.519 21.080 1.00 0.00 N ATOM 928 CA TYR A 59 17.330 16.801 22.482 1.00 0.00 C ATOM 929 C TYR A 59 16.184 17.673 23.015 1.00 0.00 C ATOM 930 O TYR A 59 16.247 18.003 24.189 1.00 0.00 O ATOM 931 CB TYR A 59 18.649 17.568 22.589 1.00 0.00 C ATOM 932 CG TYR A 59 19.926 16.818 22.283 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.331 15.796 23.162 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.716 17.030 21.153 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.406 14.941 22.912 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.850 16.248 20.894 1.00 0.00 C ATOM 937 CZ TYR A 59 22.165 15.201 21.765 1.00 0.00 C ATOM 938 OH TYR A 59 23.277 14.457 21.501 1.00 0.00 O ATOM 0 H TYR A 59 17.455 17.335 20.552 1.00 0.00 H new ATOM 0 HA TYR A 59 17.342 15.881 23.067 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.594 18.425 21.917 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.726 17.962 23.602 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.779 15.666 24.081 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.448 17.815 20.462 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.641 14.119 23.572 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.471 16.451 20.034 1.00 0.00 H new ATOM 0 HH TYR A 59 23.029 13.677 20.962 1.00 0.00 H new ATOM 948 N ASN A 60 15.279 18.249 22.235 1.00 0.00 N ATOM 949 CA ASN A 60 14.145 19.036 22.685 1.00 0.00 C ATOM 950 C ASN A 60 14.337 20.515 23.027 1.00 0.00 C ATOM 951 O ASN A 60 13.573 21.033 23.838 1.00 0.00 O ATOM 952 CB ASN A 60 13.185 18.278 23.592 1.00 0.00 C ATOM 953 CG ASN A 60 11.706 18.622 23.411 1.00 0.00 C ATOM 954 OD1 ASN A 60 11.367 19.018 22.300 1.00 0.00 O ATOM 955 ND2 ASN A 60 10.754 18.354 24.286 1.00 0.00 N ATOM 0 H ASN A 60 15.321 18.174 21.219 1.00 0.00 H new ATOM 0 HA ASN A 60 13.629 19.173 21.734 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.316 17.210 23.420 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.462 18.471 24.629 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.775 18.478 24.028 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.998 18.023 25.219 1.00 0.00 H new ATOM 962 N ILE A 61 15.407 21.161 22.582 1.00 0.00 N ATOM 963 CA ILE A 61 15.805 22.508 22.936 1.00 0.00 C ATOM 964 C ILE A 61 14.831 23.460 22.252 1.00 0.00 C ATOM 965 O ILE A 61 14.766 23.448 21.027 1.00 0.00 O ATOM 966 CB ILE A 61 17.247 22.760 22.497 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.190 21.608 22.797 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.765 24.078 23.066 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.673 21.969 22.880 1.00 0.00 C ATOM 0 H ILE A 61 16.056 20.728 21.925 1.00 0.00 H new ATOM 0 HA ILE A 61 15.772 22.662 24.015 1.00 0.00 H new ATOM 0 HB ILE A 61 17.226 22.836 21.410 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.892 21.155 23.743 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.063 20.848 22.026 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.793 24.236 22.740 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.141 24.898 22.710 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.731 24.043 24.155 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.254 21.073 23.098 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.999 22.390 21.929 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.825 22.702 23.672 1.00 0.00 H new ATOM 981 N GLN A 62 14.100 24.323 22.962 1.00 0.00 N ATOM 982 CA GLN A 62 13.268 25.417 22.486 1.00 0.00 C ATOM 983 C GLN A 62 13.691 26.763 23.084 1.00 0.00 C ATOM 984 O GLN A 62 14.545 26.814 23.957 1.00 0.00 O ATOM 985 CB GLN A 62 11.826 25.026 22.803 1.00 0.00 C ATOM 986 CG GLN A 62 11.419 23.714 22.124 1.00 0.00 C ATOM 987 CD GLN A 62 11.425 23.875 20.612 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.603 24.681 20.187 1.00 0.00 O ATOM 989 NE2 GLN A 62 12.309 23.197 19.885 1.00 0.00 N ATOM 0 H GLN A 62 14.078 24.263 23.980 1.00 0.00 H new ATOM 0 HA GLN A 62 13.380 25.568 21.412 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.707 24.927 23.882 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.156 25.823 22.481 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.106 22.919 22.414 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.426 23.416 22.460 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.952 22.548 20.339 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.344 23.327 18.874 1.00 0.00 H new ATOM 998 N LYS A 63 13.033 27.850 22.687 1.00 0.00 N ATOM 999 CA LYS A 63 13.361 29.249 22.817 1.00 0.00 C ATOM 1000 C LYS A 63 13.833 29.574 24.236 1.00 0.00 C ATOM 1001 O LYS A 63 13.187 29.196 25.222 1.00 0.00 O ATOM 1002 CB LYS A 63 12.178 30.097 22.351 1.00 0.00 C ATOM 1003 CG LYS A 63 10.818 29.927 23.035 1.00 0.00 C ATOM 1004 CD LYS A 63 9.603 30.655 22.452 1.00 0.00 C ATOM 1005 CE LYS A 63 8.409 30.891 23.367 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.301 31.489 22.594 1.00 0.00 N ATOM 0 H LYS A 63 12.141 27.743 22.204 1.00 0.00 H new ATOM 0 HA LYS A 63 14.203 29.495 22.170 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.466 31.144 22.450 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.036 29.905 21.287 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.588 28.862 23.052 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.928 30.246 24.072 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.939 31.624 22.083 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.256 30.088 21.588 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.088 29.949 23.812 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.692 31.551 24.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.487 31.649 23.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.610 32.396 22.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.025 30.844 21.827 1.00 0.00 H new ATOM 1020 N GLU A 64 14.882 30.364 24.405 1.00 0.00 N ATOM 1021 CA GLU A 64 15.246 30.867 25.709 1.00 0.00 C ATOM 1022 C GLU A 64 16.125 29.922 26.533 1.00 0.00 C ATOM 1023 O GLU A 64 16.160 30.191 27.728 1.00 0.00 O ATOM 1024 CB GLU A 64 14.109 31.602 26.415 1.00 0.00 C ATOM 1025 CG GLU A 64 14.520 32.931 27.052 1.00 0.00 C ATOM 1026 CD GLU A 64 13.387 33.448 27.925 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.974 32.726 28.868 1.00 0.00 O ATOM 1028 OE2 GLU A 64 12.867 34.522 27.554 1.00 0.00 O ATOM 0 H GLU A 64 15.495 30.668 23.649 1.00 0.00 H new ATOM 0 HA GLU A 64 15.955 31.679 25.545 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.311 31.788 25.697 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.697 30.953 27.188 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.421 32.796 27.650 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.758 33.660 26.277 1.00 0.00 H new ATOM 1035 N SER A 65 16.759 28.894 25.965 1.00 0.00 N ATOM 1036 CA SER A 65 17.617 27.889 26.539 1.00 0.00 C ATOM 1037 C SER A 65 19.086 28.306 26.435 1.00 0.00 C ATOM 1038 O SER A 65 19.568 28.701 25.370 1.00 0.00 O ATOM 1039 CB SER A 65 17.405 26.544 25.842 1.00 0.00 C ATOM 1040 OG SER A 65 17.641 25.409 26.651 1.00 0.00 O ATOM 0 H SER A 65 16.661 28.740 24.962 1.00 0.00 H new ATOM 0 HA SER A 65 17.359 27.785 27.593 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.381 26.501 25.472 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.061 26.495 24.973 1.00 0.00 H new ATOM 0 HG SER A 65 18.210 24.775 26.167 1.00 0.00 H new ATOM 1046 N THR A 66 19.815 28.158 27.540 1.00 0.00 N ATOM 1047 CA THR A 66 21.238 28.393 27.585 1.00 0.00 C ATOM 1048 C THR A 66 21.975 27.082 27.330 1.00 0.00 C ATOM 1049 O THR A 66 21.635 26.056 27.919 1.00 0.00 O ATOM 1050 CB THR A 66 21.572 28.873 28.999 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.117 28.015 30.027 1.00 0.00 O ATOM 1052 CG2 THR A 66 21.277 30.346 29.279 1.00 0.00 C ATOM 0 H THR A 66 19.419 27.868 28.434 1.00 0.00 H new ATOM 0 HA THR A 66 21.533 29.126 26.834 1.00 0.00 H new ATOM 0 HB THR A 66 22.660 28.808 29.020 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.063 27.097 29.687 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.549 30.583 30.308 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.856 30.969 28.598 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.214 30.539 29.132 1.00 0.00 H new ATOM 1060 N LEU A 67 23.004 27.175 26.485 1.00 0.00 N ATOM 1061 CA LEU A 67 24.038 26.174 26.321 1.00 0.00 C ATOM 1062 C LEU A 67 25.312 26.886 26.791 1.00 0.00 C ATOM 1063 O LEU A 67 25.332 28.082 27.084 1.00 0.00 O ATOM 1064 CB LEU A 67 24.186 25.900 24.824 1.00 0.00 C ATOM 1065 CG LEU A 67 22.966 25.238 24.185 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.774 26.122 23.796 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.298 24.419 22.936 1.00 0.00 C ATOM 0 H LEU A 67 23.137 27.983 25.877 1.00 0.00 H new ATOM 0 HA LEU A 67 23.834 25.245 26.853 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.385 26.841 24.312 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.056 25.262 24.667 1.00 0.00 H new ATOM 0 HG LEU A 67 22.657 24.623 25.030 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.991 25.504 23.356 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.386 26.621 24.684 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.097 26.869 23.071 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.385 23.979 22.536 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.747 25.068 22.184 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.999 23.626 23.197 1.00 0.00 H new ATOM 1079 N HIS A 68 26.463 26.235 26.686 1.00 0.00 N ATOM 1080 CA HIS A 68 27.791 26.701 27.047 1.00 0.00 C ATOM 1081 C HIS A 68 28.744 26.239 25.941 1.00 0.00 C ATOM 1082 O HIS A 68 28.561 25.130 25.433 1.00 0.00 O ATOM 1083 CB HIS A 68 28.177 26.320 28.475 1.00 0.00 C ATOM 1084 CG HIS A 68 29.564 26.750 28.866 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.959 28.085 28.776 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.518 25.982 29.463 1.00 0.00 C ATOM 1087 CE1 HIS A 68 31.144 28.072 29.397 1.00 0.00 C ATOM 1088 NE2 HIS A 68 31.536 26.854 29.804 1.00 0.00 N ATOM 0 H HIS A 68 26.491 25.286 26.314 1.00 0.00 H new ATOM 0 HA HIS A 68 27.840 27.789 27.092 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.461 26.765 29.166 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.097 25.239 28.586 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.486 24.916 29.634 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.733 28.963 29.557 1.00 0.00 H new ATOM 0 HE2 HIS A 68 32.411 26.618 30.272 1.00 0.00 H new ATOM 1096 N LEU A 69 29.686 27.095 25.559 1.00 0.00 N ATOM 1097 CA LEU A 69 30.578 26.832 24.452 1.00 0.00 C ATOM 1098 C LEU A 69 31.991 26.623 25.010 1.00 0.00 C ATOM 1099 O LEU A 69 32.616 27.550 25.517 1.00 0.00 O ATOM 1100 CB LEU A 69 30.441 27.987 23.451 1.00 0.00 C ATOM 1101 CG LEU A 69 31.387 27.831 22.262 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.790 28.361 20.953 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.797 28.420 22.351 1.00 0.00 C ATOM 0 H LEU A 69 29.847 27.993 26.015 1.00 0.00 H new ATOM 0 HA LEU A 69 30.332 25.921 23.907 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.413 28.035 23.092 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.647 28.931 23.956 1.00 0.00 H new ATOM 0 HG LEU A 69 31.501 26.747 22.284 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.507 28.223 20.144 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.875 27.815 20.723 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.563 29.422 21.060 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.334 28.220 21.424 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.732 29.497 22.508 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.330 27.963 23.185 1.00 0.00 H new ATOM 1115 N VAL A 70 32.556 25.460 24.686 1.00 0.00 N ATOM 1116 CA VAL A 70 33.872 25.046 25.117 1.00 0.00 C ATOM 1117 C VAL A 70 34.787 24.678 23.939 1.00 0.00 C ATOM 1118 O VAL A 70 34.379 23.868 23.115 1.00 0.00 O ATOM 1119 CB VAL A 70 33.748 23.954 26.176 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.251 24.434 27.542 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.991 22.705 25.738 1.00 0.00 C ATOM 0 H VAL A 70 32.090 24.768 24.100 1.00 0.00 H new ATOM 0 HA VAL A 70 34.373 25.892 25.587 1.00 0.00 H new ATOM 0 HB VAL A 70 34.790 23.658 26.301 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.196 23.588 28.227 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.941 25.178 27.939 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.262 24.878 27.434 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.959 21.991 26.561 1.00 0.00 H new ATOM 0 HG22 VAL A 70 31.974 22.977 25.454 1.00 0.00 H new ATOM 0 HG23 VAL A 70 33.498 22.253 24.885 1.00 0.00 H new ATOM 1131 N LEU A 71 36.054 25.085 23.945 1.00 0.00 N ATOM 1132 CA LEU A 71 36.879 24.885 22.776 1.00 0.00 C ATOM 1133 C LEU A 71 37.469 23.492 23.015 1.00 0.00 C ATOM 1134 O LEU A 71 37.683 22.981 24.122 1.00 0.00 O ATOM 1135 CB LEU A 71 38.026 25.894 22.869 1.00 0.00 C ATOM 1136 CG LEU A 71 37.740 27.389 22.757 1.00 0.00 C ATOM 1137 CD1 LEU A 71 38.991 28.065 22.198 1.00 0.00 C ATOM 1138 CD2 LEU A 71 36.602 27.742 21.805 1.00 0.00 C ATOM 0 H LEU A 71 36.516 25.544 24.730 1.00 0.00 H new ATOM 0 HA LEU A 71 36.357 24.989 21.825 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.525 25.730 23.824 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.743 25.642 22.088 1.00 0.00 H new ATOM 0 HG LEU A 71 37.457 27.722 23.756 1.00 0.00 H new ATOM 0 HD11 LEU A 71 38.815 29.137 22.107 1.00 0.00 H new ATOM 0 HD12 LEU A 71 39.830 27.891 22.871 1.00 0.00 H new ATOM 0 HD13 LEU A 71 39.221 27.650 21.217 1.00 0.00 H new ATOM 0 HD21 LEU A 71 36.466 28.823 21.785 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.843 27.388 20.803 1.00 0.00 H new ATOM 0 HD23 LEU A 71 35.682 27.267 22.146 1.00 0.00 H new