USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 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 69 SER OG : rot -66:sc= 1.71 USER MOD Set 1.2: A 76 GLN : amide:sc= 0.25 K(o=2,f=0.26) USER MOD Set 2.1: A 68 TYR OH : rot 10:sc= 1.08 USER MOD Set 2.2: A 78 TYR OH : rot 162:sc= 0.726 USER MOD Set 3.1: A 37 GLN : amide:sc= 0.512 K(o=1.3,f=0.44) USER MOD Set 3.2: A 41 GLN : amide:sc= 0.759 K(o=1.3,f=0.44) USER MOD Set 4.1: A 24 MET CE :methyl -152:sc= -0.668 (180deg=-2.43!) USER MOD Set 4.2: A 52 SER OG : rot -170:sc= -0.0135 USER MOD Set 5.1: A 19 LYS NZ :NH3+ 136:sc= 0.902 (180deg=0.877) USER MOD Set 5.2: A 109 SER OG : rot -49:sc= 1.87 USER MOD Set 6.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 18 HIS : no HD1:sc= -0.0425 X(o=-0.042,f=-0.042) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.03 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00641 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 88:sc= 1.18 USER MOD Single : A 10 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -86:sc= 1.26 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.13) USER MOD Single : A 32 GLN : amide:sc= 0.525 K(o=0.53,f=-2.4!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.0359 USER MOD Single : A 36 SER OG : rot 53:sc= 1.33 USER MOD Single : A 38 THR OG1 : rot 77:sc= 1.08 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -57:sc= 1.28 USER MOD Single : A 47 ASN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.671 K(o=0.67,f=-2.2) USER MOD Single : A 58 ASN : amide:sc= 0.527 K(o=0.53,f=-5.2!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 39:sc= 0.555 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.106 USER MOD Single : A 90 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.19) USER MOD Single : A 96 SER OG : rot 173:sc= 1.1 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.0729 X(o=-0.073,f=-0.093) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -176:sc= 0 (180deg=-0.0234) USER MOD Single : A 108 CYS SG : rot 78:sc= 0.43 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.208 -3.728 -6.339 1.00 0.00 N ATOM 2 CA MET A 1 -3.280 -2.239 -6.403 1.00 0.00 C ATOM 3 C MET A 1 -2.403 -1.600 -5.313 1.00 0.00 C ATOM 4 O MET A 1 -2.277 -2.153 -4.219 1.00 0.00 O ATOM 5 CB MET A 1 -4.750 -1.752 -6.314 1.00 0.00 C ATOM 6 CG MET A 1 -4.938 -0.241 -6.526 1.00 0.00 C ATOM 7 SD MET A 1 -4.326 0.408 -8.111 1.00 0.00 S ATOM 8 CE MET A 1 -4.755 2.160 -7.908 1.00 0.00 C ATOM 0 H1 MET A 1 -4.145 -4.130 -6.542 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.524 -4.073 -7.042 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.905 -4.020 -5.388 1.00 0.00 H new ATOM 0 HA MET A 1 -2.887 -1.919 -7.368 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.341 -2.286 -7.058 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.149 -2.021 -5.336 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.000 -0.009 -6.444 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.433 0.288 -5.717 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.449 2.715 -8.795 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.832 2.258 -7.773 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.242 2.561 -7.034 1.00 0.00 H new ATOM 20 N ALA A 2 -1.807 -0.436 -5.598 1.00 0.00 N ATOM 21 CA ALA A 2 -0.966 0.345 -4.674 1.00 0.00 C ATOM 22 C ALA A 2 -1.134 1.860 -4.906 1.00 0.00 C ATOM 23 O ALA A 2 -1.760 2.278 -5.882 1.00 0.00 O ATOM 24 CB ALA A 2 0.495 -0.107 -4.862 1.00 0.00 C ATOM 0 H ALA A 2 -1.899 0.007 -6.512 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.273 0.163 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.140 0.457 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.578 -1.171 -4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.802 0.072 -5.892 1.00 0.00 H new ATOM 30 N LEU A 3 -0.550 2.692 -4.031 1.00 0.00 N ATOM 31 CA LEU A 3 -0.690 4.161 -4.067 1.00 0.00 C ATOM 32 C LEU A 3 0.054 4.868 -5.213 1.00 0.00 C ATOM 33 O LEU A 3 -0.199 6.048 -5.456 1.00 0.00 O ATOM 34 CB LEU A 3 -0.345 4.739 -2.673 1.00 0.00 C ATOM 35 CG LEU A 3 1.080 4.520 -2.103 1.00 0.00 C ATOM 36 CD1 LEU A 3 2.172 5.342 -2.806 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.085 4.906 -0.613 1.00 0.00 C ATOM 0 H LEU A 3 0.041 2.362 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.733 4.372 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.524 5.814 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.054 4.321 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 3 1.313 3.468 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.138 5.131 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.205 5.075 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.948 6.404 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.083 4.756 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.803 5.954 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.372 4.282 -0.073 1.00 0.00 H new ATOM 49 N THR A 4 0.964 4.176 -5.918 1.00 0.00 N ATOM 50 CA THR A 4 1.896 4.788 -6.885 1.00 0.00 C ATOM 51 C THR A 4 1.242 5.560 -8.050 1.00 0.00 C ATOM 52 O THR A 4 1.764 6.633 -8.353 1.00 0.00 O ATOM 53 CB THR A 4 2.997 3.797 -7.299 1.00 0.00 C ATOM 54 OG1 THR A 4 4.018 4.505 -7.962 1.00 0.00 O ATOM 55 CG2 THR A 4 2.562 2.645 -8.202 1.00 0.00 C ATOM 0 H THR A 4 1.076 3.166 -5.833 1.00 0.00 H new ATOM 0 HA THR A 4 2.389 5.599 -6.349 1.00 0.00 H new ATOM 0 HB THR A 4 3.321 3.335 -6.366 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.727 3.883 -8.229 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.422 2.014 -8.427 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.800 2.053 -7.695 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.153 3.045 -9.130 1.00 0.00 H new ATOM 63 N PRO A 5 0.103 5.149 -8.659 1.00 0.00 N ATOM 64 CA PRO A 5 -0.541 5.931 -9.718 1.00 0.00 C ATOM 65 C PRO A 5 -1.085 7.269 -9.201 1.00 0.00 C ATOM 66 O PRO A 5 -0.872 8.304 -9.829 1.00 0.00 O ATOM 67 CB PRO A 5 -1.670 5.048 -10.281 1.00 0.00 C ATOM 68 CG PRO A 5 -1.304 3.641 -9.817 1.00 0.00 C ATOM 69 CD PRO A 5 -0.644 3.913 -8.472 1.00 0.00 C ATOM 0 HA PRO A 5 0.181 6.193 -10.491 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.644 5.354 -9.899 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.720 5.109 -11.368 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.182 3.002 -9.719 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.626 3.146 -10.512 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.388 4.018 -7.682 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.015 3.094 -8.183 1.00 0.00 H new ATOM 77 N ALA A 6 -1.750 7.264 -8.038 1.00 0.00 N ATOM 78 CA ALA A 6 -2.306 8.462 -7.405 1.00 0.00 C ATOM 79 C ALA A 6 -1.203 9.409 -6.905 1.00 0.00 C ATOM 80 O ALA A 6 -1.301 10.625 -7.092 1.00 0.00 O ATOM 81 CB ALA A 6 -3.233 8.017 -6.266 1.00 0.00 C ATOM 0 H ALA A 6 -1.918 6.412 -7.504 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.876 9.031 -8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.659 8.895 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.036 7.401 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.663 7.439 -5.538 1.00 0.00 H new ATOM 87 N LEU A 7 -0.127 8.858 -6.333 1.00 0.00 N ATOM 88 CA LEU A 7 1.059 9.605 -5.907 1.00 0.00 C ATOM 89 C LEU A 7 1.723 10.309 -7.096 1.00 0.00 C ATOM 90 O LEU A 7 1.900 11.524 -7.061 1.00 0.00 O ATOM 91 CB LEU A 7 2.021 8.620 -5.221 1.00 0.00 C ATOM 92 CG LEU A 7 3.315 9.269 -4.695 1.00 0.00 C ATOM 93 CD1 LEU A 7 3.051 10.147 -3.463 1.00 0.00 C ATOM 94 CD2 LEU A 7 4.327 8.169 -4.370 1.00 0.00 C ATOM 0 H LEU A 7 -0.056 7.857 -6.150 1.00 0.00 H new ATOM 0 HA LEU A 7 0.777 10.388 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.503 8.142 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.283 7.833 -5.928 1.00 0.00 H new ATOM 0 HG LEU A 7 3.718 9.923 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.988 10.587 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.352 10.941 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.625 9.537 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.247 8.619 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.913 7.507 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.544 7.596 -5.272 1.00 0.00 H new ATOM 106 N LYS A 8 2.039 9.573 -8.167 1.00 0.00 N ATOM 107 CA LYS A 8 2.661 10.128 -9.378 1.00 0.00 C ATOM 108 C LYS A 8 1.784 11.217 -10.017 1.00 0.00 C ATOM 109 O LYS A 8 2.302 12.281 -10.353 1.00 0.00 O ATOM 110 CB LYS A 8 2.944 8.989 -10.375 1.00 0.00 C ATOM 111 CG LYS A 8 4.170 8.166 -9.957 1.00 0.00 C ATOM 112 CD LYS A 8 4.349 6.950 -10.872 1.00 0.00 C ATOM 113 CE LYS A 8 5.629 6.193 -10.490 1.00 0.00 C ATOM 114 NZ LYS A 8 5.848 5.000 -11.355 1.00 0.00 N ATOM 0 H LYS A 8 1.870 8.569 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 8 3.602 10.603 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.073 8.337 -10.441 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.106 9.406 -11.369 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.063 8.790 -9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.057 7.836 -8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.486 6.289 -10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.403 7.271 -11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.485 6.863 -10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.568 5.880 -9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.722 4.517 -11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.043 4.348 -11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.932 5.301 -12.347 1.00 0.00 H new ATOM 128 N THR A 9 0.462 10.997 -10.101 1.00 0.00 N ATOM 129 CA THR A 9 -0.531 11.962 -10.586 1.00 0.00 C ATOM 130 C THR A 9 -0.543 13.233 -9.736 1.00 0.00 C ATOM 131 O THR A 9 -0.522 14.324 -10.295 1.00 0.00 O ATOM 132 CB THR A 9 -1.895 11.280 -10.644 1.00 0.00 C ATOM 133 OG1 THR A 9 -1.845 10.201 -11.551 1.00 0.00 O ATOM 134 CG2 THR A 9 -2.989 12.215 -11.120 1.00 0.00 C ATOM 0 H THR A 9 0.043 10.110 -9.822 1.00 0.00 H new ATOM 0 HA THR A 9 -0.264 12.286 -11.592 1.00 0.00 H new ATOM 0 HB THR A 9 -2.124 10.951 -9.630 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.551 9.393 -11.082 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.939 11.681 -11.143 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.065 13.062 -10.439 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.750 12.575 -12.121 1.00 0.00 H new ATOM 142 N THR A 10 -0.525 13.101 -8.402 1.00 0.00 N ATOM 143 CA THR A 10 -0.506 14.230 -7.451 1.00 0.00 C ATOM 144 C THR A 10 0.772 15.048 -7.603 1.00 0.00 C ATOM 145 O THR A 10 0.703 16.256 -7.832 1.00 0.00 O ATOM 146 CB THR A 10 -0.670 13.726 -6.007 1.00 0.00 C ATOM 147 OG1 THR A 10 -1.888 13.021 -5.899 1.00 0.00 O ATOM 148 CG2 THR A 10 -0.714 14.871 -4.991 1.00 0.00 C ATOM 0 H THR A 10 -0.523 12.191 -7.942 1.00 0.00 H new ATOM 0 HA THR A 10 -1.349 14.882 -7.680 1.00 0.00 H new ATOM 0 HB THR A 10 0.191 13.094 -5.789 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.789 12.134 -6.303 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.831 14.462 -3.987 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.213 15.441 -5.045 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.556 15.525 -5.217 1.00 0.00 H new ATOM 156 N LEU A 11 1.937 14.400 -7.504 1.00 0.00 N ATOM 157 CA LEU A 11 3.246 15.057 -7.576 1.00 0.00 C ATOM 158 C LEU A 11 3.471 15.730 -8.937 1.00 0.00 C ATOM 159 O LEU A 11 3.887 16.887 -8.969 1.00 0.00 O ATOM 160 CB LEU A 11 4.354 14.033 -7.258 1.00 0.00 C ATOM 161 CG LEU A 11 4.382 13.539 -5.794 1.00 0.00 C ATOM 162 CD1 LEU A 11 5.427 12.427 -5.641 1.00 0.00 C ATOM 163 CD2 LEU A 11 4.707 14.666 -4.802 1.00 0.00 C ATOM 0 H LEU A 11 1.998 13.391 -7.370 1.00 0.00 H new ATOM 0 HA LEU A 11 3.278 15.852 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.232 13.172 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.320 14.479 -7.494 1.00 0.00 H new ATOM 0 HG LEU A 11 3.384 13.165 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.443 12.082 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.172 11.595 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.410 12.812 -5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.714 14.267 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.686 15.084 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.951 15.448 -4.879 1.00 0.00 H new ATOM 175 N ASP A 12 3.125 15.067 -10.044 1.00 0.00 N ATOM 176 CA ASP A 12 3.174 15.648 -11.388 1.00 0.00 C ATOM 177 C ASP A 12 2.267 16.881 -11.503 1.00 0.00 C ATOM 178 O ASP A 12 2.750 17.947 -11.883 1.00 0.00 O ATOM 179 CB ASP A 12 2.788 14.591 -12.433 1.00 0.00 C ATOM 180 CG ASP A 12 2.885 15.156 -13.858 1.00 0.00 C ATOM 181 OD1 ASP A 12 4.022 15.262 -14.380 1.00 0.00 O ATOM 182 OD2 ASP A 12 1.831 15.481 -14.453 1.00 0.00 O ATOM 0 H ASP A 12 2.799 14.100 -10.032 1.00 0.00 H new ATOM 0 HA ASP A 12 4.196 15.977 -11.577 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.443 13.725 -12.337 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.772 14.244 -12.245 1.00 0.00 H new ATOM 187 N LYS A 13 0.993 16.796 -11.090 1.00 0.00 N ATOM 188 CA LYS A 13 0.080 17.949 -11.103 1.00 0.00 C ATOM 189 C LYS A 13 0.608 19.097 -10.230 1.00 0.00 C ATOM 190 O LYS A 13 0.667 20.232 -10.698 1.00 0.00 O ATOM 191 CB LYS A 13 -1.336 17.516 -10.683 1.00 0.00 C ATOM 192 CG LYS A 13 -2.058 16.780 -11.822 1.00 0.00 C ATOM 193 CD LYS A 13 -3.455 16.329 -11.381 1.00 0.00 C ATOM 194 CE LYS A 13 -4.176 15.637 -12.549 1.00 0.00 C ATOM 195 NZ LYS A 13 -5.571 15.257 -12.193 1.00 0.00 N ATOM 0 H LYS A 13 0.570 15.936 -10.741 1.00 0.00 H new ATOM 0 HA LYS A 13 0.027 18.330 -12.123 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.276 16.867 -9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.914 18.392 -10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.140 17.435 -12.690 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.472 15.914 -12.130 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.376 15.646 -10.535 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.034 17.188 -11.043 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.190 16.302 -13.412 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.620 14.746 -12.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.023 14.793 -13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.557 14.602 -11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.109 16.110 -11.938 1.00 0.00 H new ATOM 209 N VAL A 14 1.090 18.803 -9.017 1.00 0.00 N ATOM 210 CA VAL A 14 1.753 19.783 -8.135 1.00 0.00 C ATOM 211 C VAL A 14 2.945 20.444 -8.846 1.00 0.00 C ATOM 212 O VAL A 14 2.939 21.659 -9.037 1.00 0.00 O ATOM 213 CB VAL A 14 2.155 19.149 -6.786 1.00 0.00 C ATOM 214 CG1 VAL A 14 3.212 19.931 -5.984 1.00 0.00 C ATOM 215 CG2 VAL A 14 0.921 18.941 -5.890 1.00 0.00 C ATOM 0 H VAL A 14 1.032 17.869 -8.611 1.00 0.00 H new ATOM 0 HA VAL A 14 1.036 20.571 -7.907 1.00 0.00 H new ATOM 0 HB VAL A 14 2.611 18.199 -7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.426 19.404 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.126 20.015 -6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.833 20.928 -5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.229 18.493 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.445 19.902 -5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.214 18.280 -6.392 1.00 0.00 H new ATOM 225 N VAL A 15 3.936 19.660 -9.288 1.00 0.00 N ATOM 226 CA VAL A 15 5.215 20.201 -9.780 1.00 0.00 C ATOM 227 C VAL A 15 5.130 20.857 -11.175 1.00 0.00 C ATOM 228 O VAL A 15 5.993 21.667 -11.511 1.00 0.00 O ATOM 229 CB VAL A 15 6.327 19.128 -9.686 1.00 0.00 C ATOM 230 CG1 VAL A 15 6.358 18.164 -10.882 1.00 0.00 C ATOM 231 CG2 VAL A 15 7.707 19.760 -9.454 1.00 0.00 C ATOM 0 H VAL A 15 3.878 18.642 -9.316 1.00 0.00 H new ATOM 0 HA VAL A 15 5.481 21.026 -9.119 1.00 0.00 H new ATOM 0 HB VAL A 15 6.073 18.524 -8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.162 17.441 -10.746 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.405 17.639 -10.951 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.528 18.728 -11.799 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.461 18.975 -9.394 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.945 20.429 -10.281 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.696 20.325 -8.522 1.00 0.00 H new ATOM 241 N THR A 16 4.090 20.548 -11.970 1.00 0.00 N ATOM 242 CA THR A 16 3.794 21.213 -13.259 1.00 0.00 C ATOM 243 C THR A 16 2.889 22.434 -13.099 1.00 0.00 C ATOM 244 O THR A 16 3.062 23.403 -13.836 1.00 0.00 O ATOM 245 CB THR A 16 3.188 20.248 -14.289 1.00 0.00 C ATOM 246 OG1 THR A 16 2.019 19.650 -13.789 1.00 0.00 O ATOM 247 CG2 THR A 16 4.173 19.145 -14.690 1.00 0.00 C ATOM 0 H THR A 16 3.418 19.818 -11.734 1.00 0.00 H new ATOM 0 HA THR A 16 4.759 21.555 -13.633 1.00 0.00 H new ATOM 0 HB THR A 16 2.951 20.844 -15.170 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.256 18.856 -13.266 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.703 18.485 -15.420 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.064 19.595 -15.128 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.453 18.569 -13.808 1.00 0.00 H new ATOM 255 N SER A 17 1.973 22.441 -12.127 1.00 0.00 N ATOM 256 CA SER A 17 1.177 23.632 -11.783 1.00 0.00 C ATOM 257 C SER A 17 2.057 24.759 -11.206 1.00 0.00 C ATOM 258 O SER A 17 1.841 25.937 -11.503 1.00 0.00 O ATOM 259 CB SER A 17 0.072 23.241 -10.788 1.00 0.00 C ATOM 260 OG SER A 17 -0.779 24.334 -10.477 1.00 0.00 O ATOM 0 H SER A 17 1.759 21.624 -11.554 1.00 0.00 H new ATOM 0 HA SER A 17 0.722 24.017 -12.696 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.521 22.428 -11.207 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.527 22.864 -9.872 1.00 0.00 H new ATOM 0 HG SER A 17 -1.468 24.043 -9.843 1.00 0.00 H new ATOM 266 N HIS A 18 3.092 24.412 -10.431 1.00 0.00 N ATOM 267 CA HIS A 18 4.051 25.353 -9.853 1.00 0.00 C ATOM 268 C HIS A 18 5.399 24.679 -9.522 1.00 0.00 C ATOM 269 O HIS A 18 5.454 23.641 -8.859 1.00 0.00 O ATOM 270 CB HIS A 18 3.435 26.044 -8.621 1.00 0.00 C ATOM 271 CG HIS A 18 2.596 25.161 -7.719 1.00 0.00 C ATOM 272 ND1 HIS A 18 1.219 25.150 -7.659 1.00 0.00 N ATOM 273 CD2 HIS A 18 3.037 24.237 -6.805 1.00 0.00 C ATOM 274 CE1 HIS A 18 0.845 24.252 -6.733 1.00 0.00 C ATOM 275 NE2 HIS A 18 1.921 23.667 -6.175 1.00 0.00 N ATOM 0 H HIS A 18 3.288 23.442 -10.184 1.00 0.00 H new ATOM 0 HA HIS A 18 4.270 26.116 -10.600 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.242 26.474 -8.028 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.816 26.873 -8.965 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.069 23.990 -6.605 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.179 24.030 -6.472 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.924 22.955 -5.444 1.00 0.00 H new ATOM 283 N LYS A 19 6.505 25.287 -9.969 1.00 0.00 N ATOM 284 CA LYS A 19 7.871 24.793 -9.726 1.00 0.00 C ATOM 285 C LYS A 19 8.472 25.340 -8.410 1.00 0.00 C ATOM 286 O LYS A 19 8.007 26.350 -7.881 1.00 0.00 O ATOM 287 CB LYS A 19 8.741 25.123 -10.955 1.00 0.00 C ATOM 288 CG LYS A 19 8.316 24.298 -12.183 1.00 0.00 C ATOM 289 CD LYS A 19 9.244 24.554 -13.375 1.00 0.00 C ATOM 290 CE LYS A 19 8.866 23.621 -14.534 1.00 0.00 C ATOM 291 NZ LYS A 19 9.830 23.719 -15.660 1.00 0.00 N ATOM 0 H LYS A 19 6.479 26.147 -10.517 1.00 0.00 H new ATOM 0 HA LYS A 19 7.841 23.712 -9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.662 26.186 -11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.788 24.924 -10.726 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.327 23.237 -11.932 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.291 24.550 -12.456 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.166 25.594 -13.692 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.281 24.386 -13.084 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.830 22.592 -14.175 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.866 23.870 -14.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.059 22.765 -16.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.407 24.274 -16.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.699 24.187 -15.333 1.00 0.00 H new ATOM 305 N VAL A 20 9.514 24.664 -7.896 1.00 0.00 N ATOM 306 CA VAL A 20 10.213 24.962 -6.619 1.00 0.00 C ATOM 307 C VAL A 20 9.257 24.733 -5.439 1.00 0.00 C ATOM 308 O VAL A 20 8.601 25.660 -4.964 1.00 0.00 O ATOM 309 CB VAL A 20 10.872 26.369 -6.588 1.00 0.00 C ATOM 310 CG1 VAL A 20 11.746 26.513 -5.332 1.00 0.00 C ATOM 311 CG2 VAL A 20 11.769 26.596 -7.819 1.00 0.00 C ATOM 0 H VAL A 20 9.915 23.858 -8.375 1.00 0.00 H new ATOM 0 HA VAL A 20 11.049 24.268 -6.530 1.00 0.00 H new ATOM 0 HB VAL A 20 10.067 27.104 -6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.204 27.502 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.129 26.387 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.526 25.752 -5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.215 27.589 -7.766 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.559 25.845 -7.837 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.170 26.515 -8.726 1.00 0.00 H new ATOM 321 N VAL A 21 9.151 23.472 -5.000 1.00 0.00 N ATOM 322 CA VAL A 21 8.134 23.024 -4.032 1.00 0.00 C ATOM 323 C VAL A 21 8.803 22.579 -2.731 1.00 0.00 C ATOM 324 O VAL A 21 9.740 21.788 -2.757 1.00 0.00 O ATOM 325 CB VAL A 21 7.269 21.871 -4.597 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.110 21.534 -3.641 1.00 0.00 C ATOM 327 CG2 VAL A 21 6.684 22.234 -5.973 1.00 0.00 C ATOM 0 H VAL A 21 9.773 22.725 -5.308 1.00 0.00 H new ATOM 0 HA VAL A 21 7.476 23.870 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 21 7.922 21.005 -4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.517 20.721 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.512 21.229 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.479 22.413 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.082 21.404 -6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.059 23.122 -5.880 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.496 22.433 -6.673 1.00 0.00 H new ATOM 337 N LEU A 22 8.309 23.067 -1.594 1.00 0.00 N ATOM 338 CA LEU A 22 8.758 22.669 -0.257 1.00 0.00 C ATOM 339 C LEU A 22 7.668 21.835 0.438 1.00 0.00 C ATOM 340 O LEU A 22 6.536 22.288 0.627 1.00 0.00 O ATOM 341 CB LEU A 22 9.190 23.964 0.463 1.00 0.00 C ATOM 342 CG LEU A 22 9.748 23.878 1.899 1.00 0.00 C ATOM 343 CD1 LEU A 22 8.629 23.884 2.942 1.00 0.00 C ATOM 344 CD2 LEU A 22 10.671 22.679 2.142 1.00 0.00 C ATOM 0 H LEU A 22 7.567 23.767 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 22 9.620 22.002 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.948 24.445 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.327 24.630 0.486 1.00 0.00 H new ATOM 0 HG LEU A 22 10.357 24.775 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.062 23.822 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.053 24.805 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.973 23.029 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.020 22.692 3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.124 21.755 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.527 22.736 1.469 1.00 0.00 H new ATOM 356 N PHE A 23 7.997 20.600 0.805 1.00 0.00 N ATOM 357 CA PHE A 23 7.105 19.687 1.523 1.00 0.00 C ATOM 358 C PHE A 23 7.386 19.792 3.027 1.00 0.00 C ATOM 359 O PHE A 23 8.511 19.541 3.453 1.00 0.00 O ATOM 360 CB PHE A 23 7.310 18.264 0.976 1.00 0.00 C ATOM 361 CG PHE A 23 6.698 18.046 -0.400 1.00 0.00 C ATOM 362 CD1 PHE A 23 7.408 18.394 -1.569 1.00 0.00 C ATOM 363 CD2 PHE A 23 5.406 17.498 -0.514 1.00 0.00 C ATOM 364 CE1 PHE A 23 6.816 18.217 -2.836 1.00 0.00 C ATOM 365 CE2 PHE A 23 4.824 17.305 -1.781 1.00 0.00 C ATOM 366 CZ PHE A 23 5.526 17.673 -2.941 1.00 0.00 C ATOM 0 H PHE A 23 8.912 20.194 0.608 1.00 0.00 H new ATOM 0 HA PHE A 23 6.058 19.951 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.378 18.053 0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.876 17.549 1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.407 18.797 -1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.858 17.224 0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.356 18.500 -3.728 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.837 16.874 -1.861 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.074 17.538 -3.912 1.00 0.00 H new ATOM 376 N MET A 24 6.376 20.166 3.821 1.00 0.00 N ATOM 377 CA MET A 24 6.460 20.372 5.283 1.00 0.00 C ATOM 378 C MET A 24 5.100 20.130 5.946 1.00 0.00 C ATOM 379 O MET A 24 4.136 19.810 5.266 1.00 0.00 O ATOM 380 CB MET A 24 7.006 21.788 5.584 1.00 0.00 C ATOM 381 CG MET A 24 6.067 22.925 5.160 1.00 0.00 C ATOM 382 SD MET A 24 6.693 24.556 5.624 1.00 0.00 S ATOM 383 CE MET A 24 5.530 25.571 4.703 1.00 0.00 C ATOM 0 H MET A 24 5.440 20.342 3.455 1.00 0.00 H new ATOM 0 HA MET A 24 7.154 19.647 5.707 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.200 21.871 6.653 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.962 21.913 5.076 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.924 22.889 4.080 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.089 22.772 5.616 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.000 26.520 4.444 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.236 25.051 3.791 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.647 25.759 5.314 1.00 0.00 H new ATOM 393 N LYS A 25 4.961 20.344 7.255 1.00 0.00 N ATOM 394 CA LYS A 25 3.684 20.212 7.995 1.00 0.00 C ATOM 395 C LYS A 25 2.740 21.432 7.815 1.00 0.00 C ATOM 396 O LYS A 25 2.111 21.891 8.770 1.00 0.00 O ATOM 397 CB LYS A 25 4.001 19.919 9.477 1.00 0.00 C ATOM 398 CG LYS A 25 4.864 18.660 9.676 1.00 0.00 C ATOM 399 CD LYS A 25 5.035 18.345 11.167 1.00 0.00 C ATOM 400 CE LYS A 25 5.926 17.108 11.352 1.00 0.00 C ATOM 401 NZ LYS A 25 6.126 16.780 12.790 1.00 0.00 N ATOM 0 H LYS A 25 5.742 20.620 7.851 1.00 0.00 H new ATOM 0 HA LYS A 25 3.124 19.377 7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.517 20.777 9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.066 19.801 10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.400 17.812 9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.841 18.808 9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.478 19.200 11.678 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.060 18.171 11.623 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.474 16.256 10.844 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.893 17.283 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.733 15.939 12.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.580 17.583 13.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.205 16.588 13.234 1.00 0.00 H new ATOM 415 N GLY A 26 2.712 22.038 6.622 1.00 0.00 N ATOM 416 CA GLY A 26 2.028 23.315 6.338 1.00 0.00 C ATOM 417 C GLY A 26 2.288 23.854 4.929 1.00 0.00 C ATOM 418 O GLY A 26 2.921 23.181 4.114 1.00 0.00 O ATOM 0 H GLY A 26 3.176 21.647 5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.955 23.180 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.350 24.059 7.067 1.00 0.00 H new ATOM 422 N THR A 27 1.806 25.072 4.658 1.00 0.00 N ATOM 423 CA THR A 27 1.947 25.790 3.375 1.00 0.00 C ATOM 424 C THR A 27 2.418 27.229 3.612 1.00 0.00 C ATOM 425 O THR A 27 2.687 27.629 4.743 1.00 0.00 O ATOM 426 CB THR A 27 0.623 25.766 2.587 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.356 26.467 3.323 1.00 0.00 O ATOM 428 CG2 THR A 27 0.124 24.344 2.318 1.00 0.00 C ATOM 0 H THR A 27 1.285 25.611 5.350 1.00 0.00 H new ATOM 0 HA THR A 27 2.702 25.280 2.778 1.00 0.00 H new ATOM 0 HB THR A 27 0.804 26.236 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.203 26.460 2.830 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.811 24.386 1.760 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.869 23.801 1.737 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.041 23.831 3.265 1.00 0.00 H new ATOM 436 N LYS A 28 2.475 28.042 2.553 1.00 0.00 N ATOM 437 CA LYS A 28 2.862 29.461 2.623 1.00 0.00 C ATOM 438 C LYS A 28 1.897 30.346 3.446 1.00 0.00 C ATOM 439 O LYS A 28 2.243 31.480 3.779 1.00 0.00 O ATOM 440 CB LYS A 28 3.073 30.001 1.194 1.00 0.00 C ATOM 441 CG LYS A 28 1.782 30.070 0.360 1.00 0.00 C ATOM 442 CD LYS A 28 2.059 30.671 -1.024 1.00 0.00 C ATOM 443 CE LYS A 28 0.764 30.710 -1.848 1.00 0.00 C ATOM 444 NZ LYS A 28 1.002 31.246 -3.212 1.00 0.00 N ATOM 0 H LYS A 28 2.251 27.732 1.607 1.00 0.00 H new ATOM 0 HA LYS A 28 3.800 29.513 3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.510 30.998 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.794 29.367 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.361 29.071 0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.039 30.673 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.463 31.678 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.812 30.078 -1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.346 29.706 -1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.025 31.327 -1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.131 31.164 -3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.280 32.246 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.762 30.704 -3.670 1.00 0.00 H new ATOM 458 N ASP A 29 0.713 29.836 3.807 1.00 0.00 N ATOM 459 CA ASP A 29 -0.220 30.486 4.737 1.00 0.00 C ATOM 460 C ASP A 29 0.322 30.522 6.181 1.00 0.00 C ATOM 461 O ASP A 29 0.049 31.473 6.915 1.00 0.00 O ATOM 462 CB ASP A 29 -1.558 29.735 4.684 1.00 0.00 C ATOM 463 CG ASP A 29 -2.637 30.407 5.551 1.00 0.00 C ATOM 464 OD1 ASP A 29 -3.128 31.495 5.166 1.00 0.00 O ATOM 465 OD2 ASP A 29 -3.008 29.833 6.604 1.00 0.00 O ATOM 0 H ASP A 29 0.370 28.943 3.454 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.351 31.524 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.904 29.684 3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.410 28.709 5.021 1.00 0.00 H new ATOM 470 N PHE A 30 1.134 29.522 6.558 1.00 0.00 N ATOM 471 CA PHE A 30 1.897 29.475 7.806 1.00 0.00 C ATOM 472 C PHE A 30 3.143 28.575 7.635 1.00 0.00 C ATOM 473 O PHE A 30 3.068 27.367 7.901 1.00 0.00 O ATOM 474 CB PHE A 30 0.994 29.024 8.970 1.00 0.00 C ATOM 475 CG PHE A 30 1.693 29.048 10.317 1.00 0.00 C ATOM 476 CD1 PHE A 30 1.974 30.282 10.939 1.00 0.00 C ATOM 477 CD2 PHE A 30 2.094 27.848 10.939 1.00 0.00 C ATOM 478 CE1 PHE A 30 2.651 30.315 12.171 1.00 0.00 C ATOM 479 CE2 PHE A 30 2.771 27.883 12.170 1.00 0.00 C ATOM 480 CZ PHE A 30 3.051 29.116 12.785 1.00 0.00 C ATOM 0 H PHE A 30 1.280 28.696 5.978 1.00 0.00 H new ATOM 0 HA PHE A 30 2.255 30.475 8.053 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.117 29.670 9.012 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.636 28.014 8.772 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.668 31.204 10.468 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.880 26.900 10.468 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.864 31.262 12.645 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.076 26.962 12.644 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.574 29.142 13.730 1.00 0.00 H new ATOM 490 N PRO A 31 4.283 29.137 7.178 1.00 0.00 N ATOM 491 CA PRO A 31 5.546 28.416 7.066 1.00 0.00 C ATOM 492 C PRO A 31 5.983 27.850 8.419 1.00 0.00 C ATOM 493 O PRO A 31 5.920 28.543 9.435 1.00 0.00 O ATOM 494 CB PRO A 31 6.570 29.409 6.503 1.00 0.00 C ATOM 495 CG PRO A 31 5.702 30.439 5.788 1.00 0.00 C ATOM 496 CD PRO A 31 4.443 30.484 6.653 1.00 0.00 C ATOM 0 HA PRO A 31 5.449 27.555 6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.166 29.864 7.294 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.266 28.924 5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.191 31.412 5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.478 30.138 4.764 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.547 31.210 7.460 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.574 30.782 6.066 1.00 0.00 H new ATOM 504 N GLN A 32 6.415 26.586 8.432 1.00 0.00 N ATOM 505 CA GLN A 32 6.732 25.874 9.668 1.00 0.00 C ATOM 506 C GLN A 32 8.168 26.161 10.116 1.00 0.00 C ATOM 507 O GLN A 32 9.113 26.060 9.328 1.00 0.00 O ATOM 508 CB GLN A 32 6.453 24.371 9.502 1.00 0.00 C ATOM 509 CG GLN A 32 4.950 24.046 9.375 1.00 0.00 C ATOM 510 CD GLN A 32 4.149 24.246 10.677 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.615 24.799 11.666 1.00 0.00 O ATOM 512 NE2 GLN A 32 2.917 23.781 10.749 1.00 0.00 N ATOM 0 H GLN A 32 6.554 26.031 7.588 1.00 0.00 H new ATOM 0 HA GLN A 32 6.083 26.238 10.464 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.974 24.006 8.617 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.864 23.834 10.357 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.518 24.674 8.596 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.839 23.012 9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.500 23.315 9.943 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.381 23.887 11.611 1.00 0.00 H new ATOM 521 N CYS A 33 8.314 26.514 11.395 1.00 0.00 N ATOM 522 CA CYS A 33 9.528 27.042 12.027 1.00 0.00 C ATOM 523 C CYS A 33 10.784 26.155 11.881 1.00 0.00 C ATOM 524 O CYS A 33 10.708 24.925 11.798 1.00 0.00 O ATOM 525 CB CYS A 33 9.207 27.300 13.510 1.00 0.00 C ATOM 526 SG CYS A 33 7.789 28.430 13.682 1.00 0.00 S ATOM 0 H CYS A 33 7.543 26.435 12.058 1.00 0.00 H new ATOM 0 HA CYS A 33 9.795 27.960 11.503 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.987 26.356 14.008 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.079 27.726 14.006 1.00 0.00 H new ATOM 0 HG CYS A 33 7.541 28.626 14.943 1.00 0.00 H new ATOM 532 N GLY A 34 11.959 26.800 11.908 1.00 0.00 N ATOM 533 CA GLY A 34 13.272 26.141 11.872 1.00 0.00 C ATOM 534 C GLY A 34 13.671 25.738 10.455 1.00 0.00 C ATOM 535 O GLY A 34 13.832 26.597 9.589 1.00 0.00 O ATOM 0 H GLY A 34 12.024 27.817 11.957 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.026 26.812 12.284 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.251 25.256 12.508 1.00 0.00 H new ATOM 539 N PHE A 35 13.835 24.432 10.233 1.00 0.00 N ATOM 540 CA PHE A 35 14.284 23.784 8.992 1.00 0.00 C ATOM 541 C PHE A 35 13.525 24.302 7.759 1.00 0.00 C ATOM 542 O PHE A 35 14.106 24.901 6.857 1.00 0.00 O ATOM 543 CB PHE A 35 14.102 22.268 9.232 1.00 0.00 C ATOM 544 CG PHE A 35 14.649 21.292 8.202 1.00 0.00 C ATOM 545 CD1 PHE A 35 14.069 21.187 6.923 1.00 0.00 C ATOM 546 CD2 PHE A 35 15.662 20.386 8.579 1.00 0.00 C ATOM 547 CE1 PHE A 35 14.474 20.169 6.042 1.00 0.00 C ATOM 548 CE2 PHE A 35 16.055 19.360 7.703 1.00 0.00 C ATOM 549 CZ PHE A 35 15.443 19.236 6.446 1.00 0.00 C ATOM 0 H PHE A 35 13.645 23.748 10.966 1.00 0.00 H new ATOM 0 HA PHE A 35 15.325 24.015 8.768 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.562 22.028 10.191 1.00 0.00 H new ATOM 0 HB3 PHE A 35 13.034 22.076 9.334 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.310 21.892 6.618 1.00 0.00 H new ATOM 0 HD2 PHE A 35 16.137 20.481 9.544 1.00 0.00 H new ATOM 0 HE1 PHE A 35 14.040 20.104 5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 35 16.829 18.666 7.997 1.00 0.00 H new ATOM 0 HZ PHE A 35 15.717 18.423 5.790 1.00 0.00 H new ATOM 559 N SER A 36 12.206 24.126 7.727 1.00 0.00 N ATOM 560 CA SER A 36 11.351 24.515 6.596 1.00 0.00 C ATOM 561 C SER A 36 11.321 26.033 6.380 1.00 0.00 C ATOM 562 O SER A 36 11.484 26.487 5.245 1.00 0.00 O ATOM 563 CB SER A 36 9.932 23.965 6.808 1.00 0.00 C ATOM 564 OG SER A 36 9.618 23.727 8.174 1.00 0.00 O ATOM 0 H SER A 36 11.688 23.702 8.497 1.00 0.00 H new ATOM 0 HA SER A 36 11.778 24.082 5.691 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.211 24.670 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.824 23.035 6.250 1.00 0.00 H new ATOM 0 HG SER A 36 9.803 24.534 8.698 1.00 0.00 H new ATOM 570 N GLN A 37 11.207 26.823 7.458 1.00 0.00 N ATOM 571 CA GLN A 37 11.253 28.288 7.390 1.00 0.00 C ATOM 572 C GLN A 37 12.571 28.721 6.737 1.00 0.00 C ATOM 573 O GLN A 37 12.549 29.484 5.777 1.00 0.00 O ATOM 574 CB GLN A 37 11.079 28.899 8.798 1.00 0.00 C ATOM 575 CG GLN A 37 10.427 30.296 8.792 1.00 0.00 C ATOM 576 CD GLN A 37 11.209 31.388 8.052 1.00 0.00 C ATOM 577 OE1 GLN A 37 12.406 31.576 8.233 1.00 0.00 O ATOM 578 NE2 GLN A 37 10.564 32.160 7.198 1.00 0.00 N ATOM 0 H GLN A 37 11.080 26.461 8.403 1.00 0.00 H new ATOM 0 HA GLN A 37 10.430 28.657 6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.471 28.227 9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.055 28.966 9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.438 30.214 8.342 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.282 30.614 9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.567 32.018 7.035 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.062 32.899 6.701 1.00 0.00 H new ATOM 587 N THR A 38 13.700 28.144 7.171 1.00 0.00 N ATOM 588 CA THR A 38 15.029 28.392 6.606 1.00 0.00 C ATOM 589 C THR A 38 15.078 28.003 5.133 1.00 0.00 C ATOM 590 O THR A 38 15.520 28.811 4.323 1.00 0.00 O ATOM 591 CB THR A 38 16.116 27.682 7.426 1.00 0.00 C ATOM 592 OG1 THR A 38 16.028 28.098 8.771 1.00 0.00 O ATOM 593 CG2 THR A 38 17.518 28.033 6.930 1.00 0.00 C ATOM 0 H THR A 38 13.712 27.477 7.942 1.00 0.00 H new ATOM 0 HA THR A 38 15.230 29.462 6.662 1.00 0.00 H new ATOM 0 HB THR A 38 15.956 26.609 7.323 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.277 27.643 9.206 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.259 27.511 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.622 27.730 5.888 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.674 29.109 7.012 1.00 0.00 H new ATOM 601 N VAL A 39 14.558 26.833 4.753 1.00 0.00 N ATOM 602 CA VAL A 39 14.483 26.421 3.337 1.00 0.00 C ATOM 603 C VAL A 39 13.686 27.425 2.488 1.00 0.00 C ATOM 604 O VAL A 39 14.195 27.843 1.448 1.00 0.00 O ATOM 605 CB VAL A 39 13.940 24.982 3.160 1.00 0.00 C ATOM 606 CG1 VAL A 39 13.643 24.639 1.688 1.00 0.00 C ATOM 607 CG2 VAL A 39 14.956 23.952 3.673 1.00 0.00 C ATOM 0 H VAL A 39 14.179 26.147 5.406 1.00 0.00 H new ATOM 0 HA VAL A 39 15.509 26.418 2.970 1.00 0.00 H new ATOM 0 HB VAL A 39 13.014 24.942 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.265 23.619 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.895 25.329 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.558 24.726 1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 39 14.555 22.947 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 39 15.886 24.049 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.149 24.128 4.731 1.00 0.00 H new ATOM 617 N VAL A 40 12.486 27.858 2.912 1.00 0.00 N ATOM 618 CA VAL A 40 11.708 28.836 2.130 1.00 0.00 C ATOM 619 C VAL A 40 12.360 30.231 2.143 1.00 0.00 C ATOM 620 O VAL A 40 12.332 30.919 1.128 1.00 0.00 O ATOM 621 CB VAL A 40 10.214 28.911 2.525 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.505 27.549 2.398 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.908 29.510 3.901 1.00 0.00 C ATOM 0 H VAL A 40 12.039 27.553 3.777 1.00 0.00 H new ATOM 0 HA VAL A 40 11.727 28.461 1.107 1.00 0.00 H new ATOM 0 HB VAL A 40 9.816 29.616 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.459 27.655 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.563 27.203 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.990 26.824 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.831 29.510 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.394 28.914 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.282 30.533 3.944 1.00 0.00 H new ATOM 633 N GLN A 41 12.989 30.630 3.259 1.00 0.00 N ATOM 634 CA GLN A 41 13.703 31.901 3.415 1.00 0.00 C ATOM 635 C GLN A 41 14.921 31.979 2.486 1.00 0.00 C ATOM 636 O GLN A 41 15.128 33.012 1.850 1.00 0.00 O ATOM 637 CB GLN A 41 14.127 32.055 4.892 1.00 0.00 C ATOM 638 CG GLN A 41 14.704 33.439 5.238 1.00 0.00 C ATOM 639 CD GLN A 41 15.439 33.464 6.587 1.00 0.00 C ATOM 640 OE1 GLN A 41 16.554 33.963 6.698 1.00 0.00 O ATOM 641 NE2 GLN A 41 14.883 32.941 7.665 1.00 0.00 N ATOM 0 H GLN A 41 13.014 30.057 4.103 1.00 0.00 H new ATOM 0 HA GLN A 41 13.039 32.719 3.136 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.263 31.864 5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.871 31.294 5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 41 15.392 33.747 4.450 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.895 34.169 5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.957 32.518 7.607 1.00 0.00 H new ATOM 0 HE22 GLN A 41 15.380 32.960 8.555 1.00 0.00 H new ATOM 650 N ILE A 42 15.711 30.905 2.371 1.00 0.00 N ATOM 651 CA ILE A 42 16.888 30.856 1.487 1.00 0.00 C ATOM 652 C ILE A 42 16.476 31.083 0.030 1.00 0.00 C ATOM 653 O ILE A 42 17.032 31.972 -0.603 1.00 0.00 O ATOM 654 CB ILE A 42 17.679 29.536 1.687 1.00 0.00 C ATOM 655 CG1 ILE A 42 18.432 29.582 3.036 1.00 0.00 C ATOM 656 CG2 ILE A 42 18.693 29.320 0.547 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.998 28.226 3.470 1.00 0.00 C ATOM 0 H ILE A 42 15.554 30.041 2.889 1.00 0.00 H new ATOM 0 HA ILE A 42 17.565 31.667 1.757 1.00 0.00 H new ATOM 0 HB ILE A 42 16.969 28.709 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.249 30.300 2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.755 29.947 3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 42 19.233 28.388 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.165 29.269 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 42 19.399 30.150 0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.513 28.335 4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.184 27.509 3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.701 27.867 2.718 1.00 0.00 H new ATOM 669 N LEU A 43 15.486 30.347 -0.493 1.00 0.00 N ATOM 670 CA LEU A 43 14.991 30.514 -1.871 1.00 0.00 C ATOM 671 C LEU A 43 14.519 31.956 -2.119 1.00 0.00 C ATOM 672 O LEU A 43 14.998 32.646 -3.027 1.00 0.00 O ATOM 673 CB LEU A 43 13.828 29.524 -2.089 1.00 0.00 C ATOM 674 CG LEU A 43 14.242 28.043 -2.168 1.00 0.00 C ATOM 675 CD1 LEU A 43 12.986 27.176 -2.004 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.946 27.742 -3.501 1.00 0.00 C ATOM 0 H LEU A 43 15.002 29.615 0.028 1.00 0.00 H new ATOM 0 HA LEU A 43 15.798 30.310 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.112 29.643 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.311 29.791 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 43 14.950 27.817 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.261 26.123 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.525 27.382 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.278 27.407 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.229 26.690 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.270 27.962 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.839 28.361 -3.589 1.00 0.00 H new ATOM 688 N LYS A 44 13.623 32.427 -1.248 1.00 0.00 N ATOM 689 CA LYS A 44 13.065 33.776 -1.267 1.00 0.00 C ATOM 690 C LYS A 44 14.185 34.823 -1.353 1.00 0.00 C ATOM 691 O LYS A 44 14.282 35.525 -2.362 1.00 0.00 O ATOM 692 CB LYS A 44 12.154 33.889 -0.033 1.00 0.00 C ATOM 693 CG LYS A 44 11.416 35.225 0.116 1.00 0.00 C ATOM 694 CD LYS A 44 10.418 35.093 1.279 1.00 0.00 C ATOM 695 CE LYS A 44 9.725 36.408 1.663 1.00 0.00 C ATOM 696 NZ LYS A 44 8.832 36.933 0.594 1.00 0.00 N ATOM 0 H LYS A 44 13.255 31.858 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 44 12.460 33.973 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.416 33.088 -0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.757 33.724 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.124 36.031 0.311 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.894 35.476 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.658 34.359 1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.943 34.703 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.142 36.253 2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.483 37.156 1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.394 37.821 0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.388 37.111 -0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.089 36.235 0.388 1.00 0.00 H new ATOM 710 N SER A 45 15.055 34.866 -0.337 1.00 0.00 N ATOM 711 CA SER A 45 16.143 35.846 -0.176 1.00 0.00 C ATOM 712 C SER A 45 17.298 35.721 -1.192 1.00 0.00 C ATOM 713 O SER A 45 17.915 36.736 -1.525 1.00 0.00 O ATOM 714 CB SER A 45 16.696 35.802 1.261 1.00 0.00 C ATOM 715 OG SER A 45 17.275 34.548 1.592 1.00 0.00 O ATOM 0 H SER A 45 15.021 34.193 0.428 1.00 0.00 H new ATOM 0 HA SER A 45 15.683 36.812 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.445 36.585 1.381 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.890 36.021 1.962 1.00 0.00 H new ATOM 0 HG SER A 45 16.611 33.838 1.467 1.00 0.00 H new ATOM 721 N LEU A 46 17.567 34.520 -1.730 1.00 0.00 N ATOM 722 CA LEU A 46 18.485 34.304 -2.858 1.00 0.00 C ATOM 723 C LEU A 46 18.002 35.079 -4.096 1.00 0.00 C ATOM 724 O LEU A 46 18.829 35.545 -4.881 1.00 0.00 O ATOM 725 CB LEU A 46 18.578 32.786 -3.117 1.00 0.00 C ATOM 726 CG LEU A 46 19.416 32.336 -4.327 1.00 0.00 C ATOM 727 CD1 LEU A 46 20.885 32.771 -4.220 1.00 0.00 C ATOM 728 CD2 LEU A 46 19.324 30.805 -4.421 1.00 0.00 C ATOM 0 H LEU A 46 17.145 33.658 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 46 19.481 34.682 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.990 32.314 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.566 32.401 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 46 19.018 32.811 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 46 21.431 32.428 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 46 20.939 33.858 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 46 21.329 32.336 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.910 30.457 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.714 30.360 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.283 30.510 -4.553 1.00 0.00 H new ATOM 740 N ASN A 47 16.672 35.209 -4.224 1.00 0.00 N ATOM 741 CA ASN A 47 15.877 36.046 -5.139 1.00 0.00 C ATOM 742 C ASN A 47 15.048 35.158 -6.075 1.00 0.00 C ATOM 743 O ASN A 47 15.231 35.167 -7.295 1.00 0.00 O ATOM 744 CB ASN A 47 16.673 37.160 -5.857 1.00 0.00 C ATOM 745 CG ASN A 47 15.768 38.171 -6.559 1.00 0.00 C ATOM 746 OD1 ASN A 47 15.738 38.274 -7.780 1.00 0.00 O ATOM 747 ND2 ASN A 47 15.003 38.953 -5.814 1.00 0.00 N ATOM 0 H ASN A 47 16.056 34.667 -3.618 1.00 0.00 H new ATOM 0 HA ASN A 47 15.183 36.622 -4.527 1.00 0.00 H new ATOM 0 HB2 ASN A 47 17.298 37.680 -5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.343 36.709 -6.589 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.391 39.639 -6.256 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.025 38.870 -4.798 1.00 0.00 H new ATOM 754 N ALA A 48 14.165 34.343 -5.484 1.00 0.00 N ATOM 755 CA ALA A 48 13.402 33.329 -6.232 1.00 0.00 C ATOM 756 C ALA A 48 12.007 33.041 -5.635 1.00 0.00 C ATOM 757 O ALA A 48 11.833 33.165 -4.418 1.00 0.00 O ATOM 758 CB ALA A 48 14.247 32.045 -6.325 1.00 0.00 C ATOM 0 H ALA A 48 13.959 34.365 -4.485 1.00 0.00 H new ATOM 0 HA ALA A 48 13.207 33.726 -7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.694 31.285 -6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 48 15.182 32.261 -6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.464 31.679 -5.322 1.00 0.00 H new ATOM 764 N PRO A 49 11.023 32.642 -6.469 1.00 0.00 N ATOM 765 CA PRO A 49 9.714 32.203 -6.004 1.00 0.00 C ATOM 766 C PRO A 49 9.797 30.793 -5.404 1.00 0.00 C ATOM 767 O PRO A 49 10.737 30.034 -5.660 1.00 0.00 O ATOM 768 CB PRO A 49 8.815 32.239 -7.244 1.00 0.00 C ATOM 769 CG PRO A 49 9.783 31.901 -8.376 1.00 0.00 C ATOM 770 CD PRO A 49 11.081 32.573 -7.927 1.00 0.00 C ATOM 0 HA PRO A 49 9.321 32.841 -5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.004 31.514 -7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.357 33.218 -7.383 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.906 30.824 -8.495 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.437 32.290 -9.333 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.949 32.001 -8.255 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.173 33.569 -8.360 1.00 0.00 H new ATOM 778 N PHE A 50 8.766 30.432 -4.638 1.00 0.00 N ATOM 779 CA PHE A 50 8.573 29.101 -4.068 1.00 0.00 C ATOM 780 C PHE A 50 7.082 28.833 -3.804 1.00 0.00 C ATOM 781 O PHE A 50 6.275 29.759 -3.673 1.00 0.00 O ATOM 782 CB PHE A 50 9.408 28.937 -2.778 1.00 0.00 C ATOM 783 CG PHE A 50 8.809 29.616 -1.556 1.00 0.00 C ATOM 784 CD1 PHE A 50 9.018 30.991 -1.348 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.002 28.885 -0.659 1.00 0.00 C ATOM 786 CE1 PHE A 50 8.402 31.640 -0.265 1.00 0.00 C ATOM 787 CE2 PHE A 50 7.375 29.538 0.418 1.00 0.00 C ATOM 788 CZ PHE A 50 7.573 30.918 0.612 1.00 0.00 C ATOM 0 H PHE A 50 8.019 31.081 -4.390 1.00 0.00 H new ATOM 0 HA PHE A 50 8.921 28.362 -4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.526 27.874 -2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.406 29.340 -2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.652 31.548 -2.021 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.865 27.823 -0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.565 32.696 -0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.743 28.982 1.094 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.088 31.423 1.435 1.00 0.00 H new ATOM 798 N GLU A 51 6.733 27.555 -3.692 1.00 0.00 N ATOM 799 CA GLU A 51 5.435 27.068 -3.234 1.00 0.00 C ATOM 800 C GLU A 51 5.667 25.957 -2.203 1.00 0.00 C ATOM 801 O GLU A 51 6.788 25.487 -2.017 1.00 0.00 O ATOM 802 CB GLU A 51 4.590 26.567 -4.423 1.00 0.00 C ATOM 803 CG GLU A 51 3.953 27.707 -5.229 1.00 0.00 C ATOM 804 CD GLU A 51 2.966 28.572 -4.428 1.00 0.00 C ATOM 805 OE1 GLU A 51 2.309 28.066 -3.488 1.00 0.00 O ATOM 806 OE2 GLU A 51 2.795 29.767 -4.770 1.00 0.00 O ATOM 0 H GLU A 51 7.374 26.798 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 51 4.877 27.879 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.220 25.971 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.804 25.909 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.744 28.347 -5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.433 27.283 -6.088 1.00 0.00 H new ATOM 813 N SER A 52 4.625 25.523 -1.501 1.00 0.00 N ATOM 814 CA SER A 52 4.766 24.493 -0.466 1.00 0.00 C ATOM 815 C SER A 52 3.500 23.651 -0.245 1.00 0.00 C ATOM 816 O SER A 52 2.388 24.077 -0.568 1.00 0.00 O ATOM 817 CB SER A 52 5.287 25.105 0.845 1.00 0.00 C ATOM 818 OG SER A 52 4.509 26.209 1.262 1.00 0.00 O ATOM 0 H SER A 52 3.672 25.865 -1.626 1.00 0.00 H new ATOM 0 HA SER A 52 5.509 23.787 -0.838 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.284 24.345 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.322 25.421 0.711 1.00 0.00 H new ATOM 0 HG SER A 52 4.959 26.665 2.004 1.00 0.00 H new ATOM 824 N VAL A 53 3.691 22.428 0.270 1.00 0.00 N ATOM 825 CA VAL A 53 2.654 21.384 0.382 1.00 0.00 C ATOM 826 C VAL A 53 2.657 20.792 1.792 1.00 0.00 C ATOM 827 O VAL A 53 3.711 20.423 2.309 1.00 0.00 O ATOM 828 CB VAL A 53 2.882 20.263 -0.665 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.890 19.095 -0.496 1.00 0.00 C ATOM 830 CG2 VAL A 53 2.751 20.801 -2.100 1.00 0.00 C ATOM 0 H VAL A 53 4.596 22.126 0.631 1.00 0.00 H new ATOM 0 HA VAL A 53 1.684 21.842 0.187 1.00 0.00 H new ATOM 0 HB VAL A 53 3.895 19.899 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.090 18.336 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.007 18.659 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.871 19.463 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.917 19.990 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.752 21.211 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.492 21.583 -2.264 1.00 0.00 H new ATOM 840 N ASN A 54 1.463 20.665 2.381 1.00 0.00 N ATOM 841 CA ASN A 54 1.267 20.092 3.711 1.00 0.00 C ATOM 842 C ASN A 54 1.277 18.549 3.680 1.00 0.00 C ATOM 843 O ASN A 54 0.299 17.919 3.275 1.00 0.00 O ATOM 844 CB ASN A 54 -0.032 20.651 4.321 1.00 0.00 C ATOM 845 CG ASN A 54 -0.293 20.140 5.736 1.00 0.00 C ATOM 846 OD1 ASN A 54 0.574 19.578 6.394 1.00 0.00 O ATOM 847 ND2 ASN A 54 -1.503 20.309 6.235 1.00 0.00 N ATOM 0 H ASN A 54 0.594 20.963 1.938 1.00 0.00 H new ATOM 0 HA ASN A 54 2.103 20.383 4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.020 21.740 4.337 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.873 20.381 3.682 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.720 19.971 7.173 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.221 20.778 5.683 1.00 0.00 H new ATOM 854 N ILE A 55 2.356 17.925 4.166 1.00 0.00 N ATOM 855 CA ILE A 55 2.526 16.452 4.216 1.00 0.00 C ATOM 856 C ILE A 55 1.484 15.747 5.097 1.00 0.00 C ATOM 857 O ILE A 55 1.157 14.591 4.851 1.00 0.00 O ATOM 858 CB ILE A 55 3.961 16.066 4.660 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.249 16.484 6.122 1.00 0.00 C ATOM 860 CG2 ILE A 55 4.984 16.608 3.646 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.699 16.320 6.580 1.00 0.00 C ATOM 0 H ILE A 55 3.156 18.432 4.545 1.00 0.00 H new ATOM 0 HA ILE A 55 2.363 16.101 3.197 1.00 0.00 H new ATOM 0 HB ILE A 55 4.054 14.980 4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.963 17.528 6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.609 15.898 6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.990 16.334 3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.784 16.181 2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.903 17.694 3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.791 16.641 7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.991 15.273 6.497 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.350 16.929 5.953 1.00 0.00 H new ATOM 873 N LEU A 56 0.949 16.433 6.112 1.00 0.00 N ATOM 874 CA LEU A 56 -0.022 15.886 7.071 1.00 0.00 C ATOM 875 C LEU A 56 -1.477 15.901 6.552 1.00 0.00 C ATOM 876 O LEU A 56 -2.372 15.409 7.241 1.00 0.00 O ATOM 877 CB LEU A 56 0.148 16.643 8.413 1.00 0.00 C ATOM 878 CG LEU A 56 0.790 15.793 9.530 1.00 0.00 C ATOM 879 CD1 LEU A 56 2.207 15.319 9.166 1.00 0.00 C ATOM 880 CD2 LEU A 56 0.851 16.615 10.825 1.00 0.00 C ATOM 0 H LEU A 56 1.184 17.408 6.296 1.00 0.00 H new ATOM 0 HA LEU A 56 0.187 14.827 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.761 17.528 8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.829 16.991 8.750 1.00 0.00 H new ATOM 0 HG LEU A 56 0.169 14.907 9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.614 14.725 9.985 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.166 14.711 8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.847 16.184 8.993 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.304 16.016 11.615 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.450 17.511 10.660 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.158 16.903 11.121 1.00 0.00 H new ATOM 892 N GLU A 57 -1.720 16.444 5.354 1.00 0.00 N ATOM 893 CA GLU A 57 -3.065 16.643 4.794 1.00 0.00 C ATOM 894 C GLU A 57 -3.597 15.436 3.991 1.00 0.00 C ATOM 895 O GLU A 57 -4.786 15.394 3.666 1.00 0.00 O ATOM 896 CB GLU A 57 -3.047 17.923 3.940 1.00 0.00 C ATOM 897 CG GLU A 57 -4.362 18.706 4.012 1.00 0.00 C ATOM 898 CD GLU A 57 -4.152 20.156 3.551 1.00 0.00 C ATOM 899 OE1 GLU A 57 -3.625 20.970 4.347 1.00 0.00 O ATOM 900 OE2 GLU A 57 -4.510 20.485 2.395 1.00 0.00 O ATOM 0 H GLU A 57 -0.976 16.764 4.734 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.762 16.745 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.230 18.564 4.272 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.844 17.659 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.113 18.225 3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.743 18.695 5.033 1.00 0.00 H new ATOM 907 N ASN A 58 -2.745 14.445 3.685 1.00 0.00 N ATOM 908 CA ASN A 58 -3.112 13.231 2.943 1.00 0.00 C ATOM 909 C ASN A 58 -2.135 12.070 3.218 1.00 0.00 C ATOM 910 O ASN A 58 -0.928 12.195 3.005 1.00 0.00 O ATOM 911 CB ASN A 58 -3.188 13.557 1.441 1.00 0.00 C ATOM 912 CG ASN A 58 -3.606 12.340 0.629 1.00 0.00 C ATOM 913 OD1 ASN A 58 -2.787 11.501 0.289 1.00 0.00 O ATOM 914 ND2 ASN A 58 -4.884 12.184 0.338 1.00 0.00 N ATOM 0 H ASN A 58 -1.761 14.467 3.953 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.091 12.896 3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.900 14.367 1.278 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.217 13.911 1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.193 11.358 -0.174 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.562 12.889 0.626 1.00 0.00 H new ATOM 921 N GLU A 59 -2.658 10.924 3.659 1.00 0.00 N ATOM 922 CA GLU A 59 -1.868 9.759 4.081 1.00 0.00 C ATOM 923 C GLU A 59 -1.086 9.110 2.929 1.00 0.00 C ATOM 924 O GLU A 59 0.081 8.754 3.105 1.00 0.00 O ATOM 925 CB GLU A 59 -2.773 8.702 4.747 1.00 0.00 C ATOM 926 CG GLU A 59 -3.595 9.213 5.942 1.00 0.00 C ATOM 927 CD GLU A 59 -5.020 9.640 5.542 1.00 0.00 C ATOM 928 OE1 GLU A 59 -5.171 10.639 4.800 1.00 0.00 O ATOM 929 OE2 GLU A 59 -5.995 8.976 5.970 1.00 0.00 O ATOM 0 H GLU A 59 -3.664 10.774 3.735 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.138 10.133 4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.457 8.306 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.151 7.871 5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.653 8.431 6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.080 10.059 6.397 1.00 0.00 H new ATOM 936 N LEU A 60 -1.693 8.981 1.741 1.00 0.00 N ATOM 937 CA LEU A 60 -1.052 8.366 0.574 1.00 0.00 C ATOM 938 C LEU A 60 0.126 9.203 0.064 1.00 0.00 C ATOM 939 O LEU A 60 1.163 8.643 -0.283 1.00 0.00 O ATOM 940 CB LEU A 60 -2.085 8.115 -0.544 1.00 0.00 C ATOM 941 CG LEU A 60 -3.299 7.243 -0.154 1.00 0.00 C ATOM 942 CD1 LEU A 60 -4.167 7.009 -1.399 1.00 0.00 C ATOM 943 CD2 LEU A 60 -2.895 5.890 0.450 1.00 0.00 C ATOM 0 H LEU A 60 -2.645 9.302 1.564 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.647 7.404 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.452 9.079 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.576 7.641 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.854 7.781 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.027 6.394 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.512 7.967 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.579 6.499 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.791 5.323 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.304 5.330 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.303 6.056 1.350 1.00 0.00 H new ATOM 955 N LEU A 61 0.006 10.536 0.094 1.00 0.00 N ATOM 956 CA LEU A 61 1.119 11.460 -0.159 1.00 0.00 C ATOM 957 C LEU A 61 2.210 11.269 0.906 1.00 0.00 C ATOM 958 O LEU A 61 3.359 11.017 0.555 1.00 0.00 O ATOM 959 CB LEU A 61 0.560 12.898 -0.237 1.00 0.00 C ATOM 960 CG LEU A 61 1.513 14.031 -0.688 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.535 14.438 0.385 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.227 13.711 -2.010 1.00 0.00 C ATOM 0 H LEU A 61 -0.875 11.008 0.297 1.00 0.00 H new ATOM 0 HA LEU A 61 1.600 11.252 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.291 12.888 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.175 13.159 0.749 1.00 0.00 H new ATOM 0 HG LEU A 61 0.860 14.889 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.169 15.236 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.010 14.789 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.152 13.578 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.883 14.539 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.819 12.803 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.487 13.563 -2.797 1.00 0.00 H new ATOM 974 N ARG A 62 1.851 11.312 2.197 1.00 0.00 N ATOM 975 CA ARG A 62 2.793 11.185 3.321 1.00 0.00 C ATOM 976 C ARG A 62 3.602 9.876 3.285 1.00 0.00 C ATOM 977 O ARG A 62 4.822 9.894 3.451 1.00 0.00 O ATOM 978 CB ARG A 62 2.009 11.307 4.643 1.00 0.00 C ATOM 979 CG ARG A 62 2.933 11.596 5.837 1.00 0.00 C ATOM 980 CD ARG A 62 2.153 11.838 7.137 1.00 0.00 C ATOM 981 NE ARG A 62 1.405 10.644 7.582 1.00 0.00 N ATOM 982 CZ ARG A 62 1.889 9.589 8.233 1.00 0.00 C ATOM 983 NH1 ARG A 62 3.165 9.479 8.545 1.00 0.00 N ATOM 984 NH2 ARG A 62 1.082 8.610 8.585 1.00 0.00 N ATOM 0 H ARG A 62 0.884 11.438 2.495 1.00 0.00 H new ATOM 0 HA ARG A 62 3.524 11.989 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.271 12.104 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.460 10.383 4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.615 10.757 5.977 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.545 12.470 5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.847 12.141 7.921 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.457 12.664 6.990 1.00 0.00 H new ATOM 0 HE ARG A 62 0.408 10.626 7.367 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.819 10.218 8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.499 8.655 9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.089 8.661 8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.450 7.800 9.084 1.00 0.00 H new ATOM 998 N GLN A 63 2.930 8.741 3.067 1.00 0.00 N ATOM 999 CA GLN A 63 3.547 7.414 2.997 1.00 0.00 C ATOM 1000 C GLN A 63 4.319 7.223 1.681 1.00 0.00 C ATOM 1001 O GLN A 63 5.426 6.680 1.683 1.00 0.00 O ATOM 1002 CB GLN A 63 2.423 6.373 3.157 1.00 0.00 C ATOM 1003 CG GLN A 63 2.958 4.936 3.241 1.00 0.00 C ATOM 1004 CD GLN A 63 1.842 3.915 3.481 1.00 0.00 C ATOM 1005 OE1 GLN A 63 1.426 3.184 2.592 1.00 0.00 O ATOM 1006 NE2 GLN A 63 1.303 3.826 4.682 1.00 0.00 N ATOM 0 H GLN A 63 1.919 8.720 2.931 1.00 0.00 H new ATOM 0 HA GLN A 63 4.281 7.294 3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.851 6.597 4.057 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.736 6.453 2.314 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.480 4.690 2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.689 4.869 4.047 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.636 4.427 5.436 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.553 3.157 4.856 1.00 0.00 H new ATOM 1015 N GLY A 64 3.753 7.684 0.560 1.00 0.00 N ATOM 1016 CA GLY A 64 4.292 7.459 -0.780 1.00 0.00 C ATOM 1017 C GLY A 64 5.510 8.316 -1.101 1.00 0.00 C ATOM 1018 O GLY A 64 6.465 7.801 -1.674 1.00 0.00 O ATOM 0 H GLY A 64 2.893 8.233 0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.561 6.408 -0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.512 7.661 -1.514 1.00 0.00 H new ATOM 1022 N LEU A 65 5.527 9.593 -0.703 1.00 0.00 N ATOM 1023 CA LEU A 65 6.659 10.504 -0.940 1.00 0.00 C ATOM 1024 C LEU A 65 7.950 10.005 -0.275 1.00 0.00 C ATOM 1025 O LEU A 65 9.036 10.191 -0.823 1.00 0.00 O ATOM 1026 CB LEU A 65 6.258 11.914 -0.460 1.00 0.00 C ATOM 1027 CG LEU A 65 7.319 13.014 -0.680 1.00 0.00 C ATOM 1028 CD1 LEU A 65 7.703 13.182 -2.158 1.00 0.00 C ATOM 1029 CD2 LEU A 65 6.780 14.343 -0.133 1.00 0.00 C ATOM 0 H LEU A 65 4.752 10.029 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 65 6.881 10.539 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.343 12.208 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.025 11.865 0.604 1.00 0.00 H new ATOM 0 HG LEU A 65 8.222 12.713 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.452 13.968 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.111 12.245 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.819 13.452 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.523 15.126 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.862 14.607 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.572 14.240 0.932 1.00 0.00 H new ATOM 1041 N LYS A 66 7.845 9.312 0.862 1.00 0.00 N ATOM 1042 CA LYS A 66 8.986 8.699 1.553 1.00 0.00 C ATOM 1043 C LYS A 66 9.642 7.583 0.712 1.00 0.00 C ATOM 1044 O LYS A 66 10.868 7.500 0.650 1.00 0.00 O ATOM 1045 CB LYS A 66 8.505 8.191 2.928 1.00 0.00 C ATOM 1046 CG LYS A 66 9.682 7.928 3.876 1.00 0.00 C ATOM 1047 CD LYS A 66 9.210 7.468 5.261 1.00 0.00 C ATOM 1048 CE LYS A 66 10.430 7.263 6.172 1.00 0.00 C ATOM 1049 NZ LYS A 66 10.033 6.854 7.546 1.00 0.00 N ATOM 0 H LYS A 66 6.955 9.158 1.336 1.00 0.00 H new ATOM 0 HA LYS A 66 9.767 9.445 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.835 8.926 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.930 7.274 2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.333 7.168 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.276 8.836 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.539 8.210 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.646 6.539 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.082 6.503 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.006 8.187 6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.884 6.726 8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.432 7.591 7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.505 5.959 7.503 1.00 0.00 H new ATOM 1063 N GLU A 67 8.843 6.778 0.001 1.00 0.00 N ATOM 1064 CA GLU A 67 9.324 5.766 -0.950 1.00 0.00 C ATOM 1065 C GLU A 67 9.864 6.424 -2.238 1.00 0.00 C ATOM 1066 O GLU A 67 10.963 6.100 -2.694 1.00 0.00 O ATOM 1067 CB GLU A 67 8.173 4.790 -1.258 1.00 0.00 C ATOM 1068 CG GLU A 67 8.607 3.544 -2.039 1.00 0.00 C ATOM 1069 CD GLU A 67 9.522 2.622 -1.216 1.00 0.00 C ATOM 1070 OE1 GLU A 67 9.040 2.003 -0.237 1.00 0.00 O ATOM 1071 OE2 GLU A 67 10.724 2.492 -1.549 1.00 0.00 O ATOM 0 H GLU A 67 7.826 6.812 0.071 1.00 0.00 H new ATOM 0 HA GLU A 67 10.154 5.215 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.714 4.477 -0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.407 5.315 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.723 2.988 -2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.127 3.851 -2.946 1.00 0.00 H new ATOM 1078 N TYR A 68 9.123 7.388 -2.798 1.00 0.00 N ATOM 1079 CA TYR A 68 9.451 8.109 -4.038 1.00 0.00 C ATOM 1080 C TYR A 68 10.798 8.848 -3.955 1.00 0.00 C ATOM 1081 O TYR A 68 11.619 8.769 -4.868 1.00 0.00 O ATOM 1082 CB TYR A 68 8.298 9.093 -4.306 1.00 0.00 C ATOM 1083 CG TYR A 68 8.278 9.808 -5.645 1.00 0.00 C ATOM 1084 CD1 TYR A 68 9.147 10.891 -5.894 1.00 0.00 C ATOM 1085 CD2 TYR A 68 7.320 9.449 -6.615 1.00 0.00 C ATOM 1086 CE1 TYR A 68 9.074 11.600 -7.110 1.00 0.00 C ATOM 1087 CE2 TYR A 68 7.230 10.167 -7.826 1.00 0.00 C ATOM 1088 CZ TYR A 68 8.100 11.252 -8.075 1.00 0.00 C ATOM 1089 OH TYR A 68 7.982 11.962 -9.234 1.00 0.00 O ATOM 0 H TYR A 68 8.244 7.701 -2.385 1.00 0.00 H new ATOM 0 HA TYR A 68 9.560 7.397 -4.856 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.360 8.547 -4.203 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.314 9.850 -3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.873 11.179 -5.148 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.652 8.621 -6.430 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.762 12.409 -7.305 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.494 9.886 -8.565 1.00 0.00 H new ATOM 0 HH TYR A 68 8.737 12.581 -9.317 1.00 0.00 H new ATOM 1099 N SER A 69 11.026 9.570 -2.853 1.00 0.00 N ATOM 1100 CA SER A 69 12.257 10.343 -2.620 1.00 0.00 C ATOM 1101 C SER A 69 13.362 9.555 -1.888 1.00 0.00 C ATOM 1102 O SER A 69 14.527 9.943 -1.946 1.00 0.00 O ATOM 1103 CB SER A 69 11.922 11.626 -1.835 1.00 0.00 C ATOM 1104 OG SER A 69 11.389 11.371 -0.541 1.00 0.00 O ATOM 0 H SER A 69 10.355 9.637 -2.087 1.00 0.00 H new ATOM 0 HA SER A 69 12.659 10.585 -3.604 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.824 12.229 -1.736 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.205 12.216 -2.406 1.00 0.00 H new ATOM 0 HG SER A 69 10.516 10.935 -0.627 1.00 0.00 H new ATOM 1110 N SER A 70 13.020 8.467 -1.183 1.00 0.00 N ATOM 1111 CA SER A 70 13.904 7.718 -0.255 1.00 0.00 C ATOM 1112 C SER A 70 14.377 8.555 0.960 1.00 0.00 C ATOM 1113 O SER A 70 15.205 8.093 1.753 1.00 0.00 O ATOM 1114 CB SER A 70 15.097 7.076 -0.994 1.00 0.00 C ATOM 1115 OG SER A 70 14.665 6.229 -2.050 1.00 0.00 O ATOM 0 H SER A 70 12.085 8.062 -1.240 1.00 0.00 H new ATOM 0 HA SER A 70 13.288 6.916 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.741 7.859 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.696 6.501 -0.288 1.00 0.00 H new ATOM 0 HG SER A 70 15.445 5.840 -2.498 1.00 0.00 H new ATOM 1121 N TRP A 71 13.868 9.783 1.130 1.00 0.00 N ATOM 1122 CA TRP A 71 14.264 10.723 2.180 1.00 0.00 C ATOM 1123 C TRP A 71 13.810 10.248 3.582 1.00 0.00 C ATOM 1124 O TRP A 71 12.659 9.814 3.719 1.00 0.00 O ATOM 1125 CB TRP A 71 13.690 12.102 1.827 1.00 0.00 C ATOM 1126 CG TRP A 71 14.172 13.219 2.696 1.00 0.00 C ATOM 1127 CD1 TRP A 71 13.469 13.799 3.691 1.00 0.00 C ATOM 1128 CD2 TRP A 71 15.481 13.869 2.699 1.00 0.00 C ATOM 1129 NE1 TRP A 71 14.254 14.743 4.320 1.00 0.00 N ATOM 1130 CE2 TRP A 71 15.518 14.801 3.778 1.00 0.00 C ATOM 1131 CE3 TRP A 71 16.661 13.721 1.936 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 16.678 15.519 4.110 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 17.825 14.450 2.252 1.00 0.00 C ATOM 1134 CH2 TRP A 71 17.841 15.337 3.344 1.00 0.00 C ATOM 0 H TRP A 71 13.144 10.159 0.517 1.00 0.00 H new ATOM 0 HA TRP A 71 15.351 10.781 2.228 1.00 0.00 H new ATOM 0 HB2 TRP A 71 13.941 12.331 0.791 1.00 0.00 H new ATOM 0 HB3 TRP A 71 12.603 12.055 1.889 1.00 0.00 H new ATOM 0 HD1 TRP A 71 12.449 13.561 3.954 1.00 0.00 H new ATOM 0 HE1 TRP A 71 13.936 15.327 5.093 1.00 0.00 H new ATOM 0 HE3 TRP A 71 16.671 13.039 1.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 16.676 16.204 4.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 18.713 14.327 1.650 1.00 0.00 H new ATOM 0 HH2 TRP A 71 18.744 15.876 3.592 1.00 0.00 H new ATOM 1145 N PRO A 72 14.669 10.307 4.624 1.00 0.00 N ATOM 1146 CA PRO A 72 14.385 9.683 5.918 1.00 0.00 C ATOM 1147 C PRO A 72 13.354 10.451 6.761 1.00 0.00 C ATOM 1148 O PRO A 72 12.466 9.815 7.331 1.00 0.00 O ATOM 1149 CB PRO A 72 15.743 9.581 6.628 1.00 0.00 C ATOM 1150 CG PRO A 72 16.557 10.726 6.029 1.00 0.00 C ATOM 1151 CD PRO A 72 16.049 10.779 4.589 1.00 0.00 C ATOM 0 HA PRO A 72 13.922 8.707 5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.638 9.687 7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 72 16.217 8.616 6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.384 11.665 6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 72 17.628 10.529 6.074 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.103 11.794 4.195 1.00 0.00 H new ATOM 0 HD3 PRO A 72 16.658 10.151 3.938 1.00 0.00 H new ATOM 1159 N THR A 73 13.452 11.790 6.837 1.00 0.00 N ATOM 1160 CA THR A 73 12.623 12.634 7.718 1.00 0.00 C ATOM 1161 C THR A 73 12.369 14.001 7.084 1.00 0.00 C ATOM 1162 O THR A 73 13.292 14.808 6.962 1.00 0.00 O ATOM 1163 CB THR A 73 13.268 12.829 9.105 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.571 13.344 8.954 1.00 0.00 O ATOM 1165 CG2 THR A 73 13.345 11.545 9.932 1.00 0.00 C ATOM 0 H THR A 73 14.119 12.325 6.280 1.00 0.00 H new ATOM 0 HA THR A 73 11.675 12.112 7.849 1.00 0.00 H new ATOM 0 HB THR A 73 12.624 13.524 9.644 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.582 13.996 8.222 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.810 11.759 10.894 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.340 11.155 10.093 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.940 10.804 9.399 1.00 0.00 H new ATOM 1173 N PHE A 74 11.112 14.274 6.729 1.00 0.00 N ATOM 1174 CA PHE A 74 10.647 15.577 6.233 1.00 0.00 C ATOM 1175 C PHE A 74 10.895 16.704 7.272 1.00 0.00 C ATOM 1176 O PHE A 74 10.989 16.388 8.468 1.00 0.00 O ATOM 1177 CB PHE A 74 9.152 15.446 5.886 1.00 0.00 C ATOM 1178 CG PHE A 74 8.785 14.258 5.010 1.00 0.00 C ATOM 1179 CD1 PHE A 74 9.390 14.087 3.749 1.00 0.00 C ATOM 1180 CD2 PHE A 74 7.833 13.319 5.457 1.00 0.00 C ATOM 1181 CE1 PHE A 74 9.040 12.986 2.945 1.00 0.00 C ATOM 1182 CE2 PHE A 74 7.469 12.233 4.643 1.00 0.00 C ATOM 1183 CZ PHE A 74 8.069 12.072 3.383 1.00 0.00 C ATOM 0 H PHE A 74 10.367 13.579 6.779 1.00 0.00 H new ATOM 0 HA PHE A 74 11.210 15.857 5.343 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.586 15.379 6.815 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.832 16.359 5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 74 10.122 14.800 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.381 13.435 6.431 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.520 12.844 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.730 11.524 4.985 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.783 11.244 2.751 1.00 0.00 H new ATOM 1193 N PRO A 75 10.954 18.002 6.888 1.00 0.00 N ATOM 1194 CA PRO A 75 10.697 18.593 5.564 1.00 0.00 C ATOM 1195 C PRO A 75 11.729 18.254 4.476 1.00 0.00 C ATOM 1196 O PRO A 75 12.785 17.698 4.764 1.00 0.00 O ATOM 1197 CB PRO A 75 10.682 20.117 5.792 1.00 0.00 C ATOM 1198 CG PRO A 75 10.421 20.288 7.282 1.00 0.00 C ATOM 1199 CD PRO A 75 11.127 19.075 7.867 1.00 0.00 C ATOM 0 HA PRO A 75 9.762 18.182 5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.631 20.569 5.503 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.905 20.598 5.197 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.832 21.223 7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.356 20.291 7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.183 19.282 8.037 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.697 18.799 8.830 1.00 0.00 H new ATOM 1207 N GLN A 76 11.444 18.661 3.227 1.00 0.00 N ATOM 1208 CA GLN A 76 12.398 18.628 2.107 1.00 0.00 C ATOM 1209 C GLN A 76 11.971 19.539 0.943 1.00 0.00 C ATOM 1210 O GLN A 76 10.784 19.760 0.702 1.00 0.00 O ATOM 1211 CB GLN A 76 12.687 17.198 1.607 1.00 0.00 C ATOM 1212 CG GLN A 76 11.503 16.517 0.901 1.00 0.00 C ATOM 1213 CD GLN A 76 11.870 15.135 0.354 1.00 0.00 C ATOM 1214 OE1 GLN A 76 13.016 14.820 0.065 1.00 0.00 O ATOM 1215 NE2 GLN A 76 10.905 14.257 0.172 1.00 0.00 N ATOM 0 H GLN A 76 10.529 19.028 2.964 1.00 0.00 H new ATOM 0 HA GLN A 76 13.330 19.023 2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.533 17.231 0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.989 16.584 2.456 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.673 16.420 1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.158 17.149 0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.943 14.501 0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.120 13.333 -0.204 1.00 0.00 H new ATOM 1224 N LEU A 77 12.960 20.024 0.189 1.00 0.00 N ATOM 1225 CA LEU A 77 12.817 20.768 -1.063 1.00 0.00 C ATOM 1226 C LEU A 77 12.708 19.773 -2.240 1.00 0.00 C ATOM 1227 O LEU A 77 13.299 18.692 -2.211 1.00 0.00 O ATOM 1228 CB LEU A 77 14.044 21.708 -1.156 1.00 0.00 C ATOM 1229 CG LEU A 77 13.894 23.053 -1.902 1.00 0.00 C ATOM 1230 CD1 LEU A 77 15.245 23.788 -1.832 1.00 0.00 C ATOM 1231 CD2 LEU A 77 13.476 22.941 -3.373 1.00 0.00 C ATOM 0 H LEU A 77 13.938 19.901 0.452 1.00 0.00 H new ATOM 0 HA LEU A 77 11.910 21.371 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.369 21.929 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.850 21.153 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 77 13.086 23.590 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.167 24.743 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.510 23.963 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.015 23.179 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.398 23.938 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.222 22.365 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.510 22.440 -3.440 1.00 0.00 H new ATOM 1243 N TYR A 78 11.963 20.142 -3.283 1.00 0.00 N ATOM 1244 CA TYR A 78 11.567 19.302 -4.423 1.00 0.00 C ATOM 1245 C TYR A 78 11.396 20.144 -5.704 1.00 0.00 C ATOM 1246 O TYR A 78 10.863 21.258 -5.655 1.00 0.00 O ATOM 1247 CB TYR A 78 10.259 18.600 -4.017 1.00 0.00 C ATOM 1248 CG TYR A 78 9.713 17.552 -4.969 1.00 0.00 C ATOM 1249 CD1 TYR A 78 8.986 17.941 -6.112 1.00 0.00 C ATOM 1250 CD2 TYR A 78 9.846 16.183 -4.655 1.00 0.00 C ATOM 1251 CE1 TYR A 78 8.406 16.964 -6.943 1.00 0.00 C ATOM 1252 CE2 TYR A 78 9.264 15.203 -5.483 1.00 0.00 C ATOM 1253 CZ TYR A 78 8.538 15.595 -6.628 1.00 0.00 C ATOM 1254 OH TYR A 78 7.944 14.665 -7.421 1.00 0.00 O ATOM 0 H TYR A 78 11.596 21.090 -3.363 1.00 0.00 H new ATOM 0 HA TYR A 78 12.337 18.566 -4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.416 18.127 -3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.494 19.364 -3.880 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.874 18.988 -6.350 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.397 15.885 -3.775 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.858 17.263 -7.824 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.373 14.156 -5.242 1.00 0.00 H new ATOM 0 HH TYR A 78 8.349 13.788 -7.256 1.00 0.00 H new ATOM 1264 N ILE A 79 11.845 19.632 -6.855 1.00 0.00 N ATOM 1265 CA ILE A 79 11.959 20.362 -8.135 1.00 0.00 C ATOM 1266 C ILE A 79 11.766 19.436 -9.352 1.00 0.00 C ATOM 1267 O ILE A 79 12.217 18.294 -9.339 1.00 0.00 O ATOM 1268 CB ILE A 79 13.332 21.089 -8.242 1.00 0.00 C ATOM 1269 CG1 ILE A 79 14.545 20.155 -8.005 1.00 0.00 C ATOM 1270 CG2 ILE A 79 13.380 22.325 -7.327 1.00 0.00 C ATOM 1271 CD1 ILE A 79 15.912 20.832 -8.180 1.00 0.00 C ATOM 0 H ILE A 79 12.152 18.662 -6.930 1.00 0.00 H new ATOM 0 HA ILE A 79 11.159 21.102 -8.144 1.00 0.00 H new ATOM 0 HB ILE A 79 13.417 21.426 -9.275 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.482 19.747 -6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.480 19.313 -8.694 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.351 22.812 -7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.594 23.023 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.229 22.018 -6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.704 20.106 -7.996 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.001 21.215 -9.197 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.003 21.656 -7.472 1.00 0.00 H new ATOM 1283 N ASP A 80 11.090 19.925 -10.403 1.00 0.00 N ATOM 1284 CA ASP A 80 10.950 19.320 -11.752 1.00 0.00 C ATOM 1285 C ASP A 80 10.164 17.984 -11.818 1.00 0.00 C ATOM 1286 O ASP A 80 9.637 17.625 -12.875 1.00 0.00 O ATOM 1287 CB ASP A 80 12.345 19.171 -12.389 1.00 0.00 C ATOM 1288 CG ASP A 80 12.281 18.870 -13.895 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.895 19.776 -14.672 1.00 0.00 O ATOM 1290 OD2 ASP A 80 12.653 17.742 -14.297 1.00 0.00 O ATOM 0 H ASP A 80 10.591 20.812 -10.337 1.00 0.00 H new ATOM 0 HA ASP A 80 10.330 20.012 -12.321 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.912 20.088 -12.230 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.886 18.370 -11.885 1.00 0.00 H new ATOM 1295 N GLY A 81 10.062 17.267 -10.696 1.00 0.00 N ATOM 1296 CA GLY A 81 9.545 15.898 -10.562 1.00 0.00 C ATOM 1297 C GLY A 81 10.388 14.990 -9.661 1.00 0.00 C ATOM 1298 O GLY A 81 10.075 13.804 -9.561 1.00 0.00 O ATOM 0 H GLY A 81 10.357 17.650 -9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.531 15.943 -10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 81 9.481 15.448 -11.553 1.00 0.00 H new ATOM 1302 N GLU A 82 11.429 15.512 -9.001 1.00 0.00 N ATOM 1303 CA GLU A 82 12.301 14.786 -8.072 1.00 0.00 C ATOM 1304 C GLU A 82 12.601 15.627 -6.818 1.00 0.00 C ATOM 1305 O GLU A 82 12.448 16.850 -6.805 1.00 0.00 O ATOM 1306 CB GLU A 82 13.625 14.409 -8.766 1.00 0.00 C ATOM 1307 CG GLU A 82 13.447 13.401 -9.906 1.00 0.00 C ATOM 1308 CD GLU A 82 14.806 12.954 -10.463 1.00 0.00 C ATOM 1309 OE1 GLU A 82 15.393 11.982 -9.930 1.00 0.00 O ATOM 1310 OE2 GLU A 82 15.296 13.562 -11.444 1.00 0.00 O ATOM 0 H GLU A 82 11.697 16.491 -9.104 1.00 0.00 H new ATOM 0 HA GLU A 82 11.779 13.880 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 82 14.091 15.313 -9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 82 14.309 13.993 -8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.894 12.533 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.853 13.849 -10.703 1.00 0.00 H new ATOM 1317 N PHE A 83 13.055 14.974 -5.743 1.00 0.00 N ATOM 1318 CA PHE A 83 13.491 15.678 -4.539 1.00 0.00 C ATOM 1319 C PHE A 83 14.872 16.338 -4.733 1.00 0.00 C ATOM 1320 O PHE A 83 15.716 15.854 -5.492 1.00 0.00 O ATOM 1321 CB PHE A 83 13.456 14.740 -3.324 1.00 0.00 C ATOM 1322 CG PHE A 83 14.689 13.871 -3.149 1.00 0.00 C ATOM 1323 CD1 PHE A 83 14.947 12.804 -4.031 1.00 0.00 C ATOM 1324 CD2 PHE A 83 15.604 14.165 -2.122 1.00 0.00 C ATOM 1325 CE1 PHE A 83 16.124 12.049 -3.893 1.00 0.00 C ATOM 1326 CE2 PHE A 83 16.778 13.407 -1.982 1.00 0.00 C ATOM 1327 CZ PHE A 83 17.041 12.349 -2.871 1.00 0.00 C ATOM 0 H PHE A 83 13.129 13.958 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 83 12.790 16.490 -4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.322 15.340 -2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.583 14.093 -3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.241 12.566 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.403 14.977 -1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 83 16.325 11.236 -4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 83 17.478 13.636 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 83 17.946 11.768 -2.768 1.00 0.00 H new ATOM 1337 N PHE A 84 15.097 17.439 -4.014 1.00 0.00 N ATOM 1338 CA PHE A 84 16.385 18.127 -3.907 1.00 0.00 C ATOM 1339 C PHE A 84 17.081 17.793 -2.572 1.00 0.00 C ATOM 1340 O PHE A 84 18.288 17.537 -2.563 1.00 0.00 O ATOM 1341 CB PHE A 84 16.131 19.633 -4.070 1.00 0.00 C ATOM 1342 CG PHE A 84 17.355 20.503 -3.880 1.00 0.00 C ATOM 1343 CD1 PHE A 84 17.709 20.948 -2.592 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.152 20.862 -4.986 1.00 0.00 C ATOM 1345 CE1 PHE A 84 18.842 21.756 -2.413 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.286 21.673 -4.801 1.00 0.00 C ATOM 1347 CZ PHE A 84 19.630 22.119 -3.517 1.00 0.00 C ATOM 0 H PHE A 84 14.362 17.892 -3.471 1.00 0.00 H new ATOM 0 HA PHE A 84 17.063 17.791 -4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.724 19.814 -5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 84 15.369 19.939 -3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.107 20.667 -1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.892 20.514 -5.975 1.00 0.00 H new ATOM 0 HE1 PHE A 84 19.108 22.099 -1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 84 19.893 21.953 -5.649 1.00 0.00 H new ATOM 0 HZ PHE A 84 20.501 22.742 -3.377 1.00 0.00 H new ATOM 1357 N GLY A 85 16.324 17.748 -1.462 1.00 0.00 N ATOM 1358 CA GLY A 85 16.815 17.364 -0.130 1.00 0.00 C ATOM 1359 C GLY A 85 16.520 18.383 0.972 1.00 0.00 C ATOM 1360 O GLY A 85 15.628 19.220 0.845 1.00 0.00 O ATOM 0 H GLY A 85 15.332 17.983 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.369 16.409 0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.892 17.208 -0.185 1.00 0.00 H new ATOM 1364 N GLY A 86 17.246 18.260 2.087 1.00 0.00 N ATOM 1365 CA GLY A 86 16.990 18.981 3.340 1.00 0.00 C ATOM 1366 C GLY A 86 17.616 20.371 3.442 1.00 0.00 C ATOM 1367 O GLY A 86 18.246 20.876 2.510 1.00 0.00 O ATOM 0 H GLY A 86 18.052 17.638 2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.912 19.077 3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.357 18.375 4.168 1.00 0.00 H new ATOM 1371 N CYS A 87 17.438 21.003 4.608 1.00 0.00 N ATOM 1372 CA CYS A 87 17.943 22.348 4.905 1.00 0.00 C ATOM 1373 C CYS A 87 19.474 22.415 4.858 1.00 0.00 C ATOM 1374 O CYS A 87 20.023 23.349 4.283 1.00 0.00 O ATOM 1375 CB CYS A 87 17.379 22.778 6.271 1.00 0.00 C ATOM 1376 SG CYS A 87 17.774 24.527 6.558 1.00 0.00 S ATOM 0 H CYS A 87 16.929 20.585 5.387 1.00 0.00 H new ATOM 0 HA CYS A 87 17.605 23.044 4.137 1.00 0.00 H new ATOM 0 HB2 CYS A 87 16.300 22.628 6.295 1.00 0.00 H new ATOM 0 HB3 CYS A 87 17.804 22.162 7.063 1.00 0.00 H new ATOM 0 HG CYS A 87 17.298 24.896 7.710 1.00 0.00 H new ATOM 1382 N ASP A 88 20.164 21.406 5.385 1.00 0.00 N ATOM 1383 CA ASP A 88 21.627 21.287 5.328 1.00 0.00 C ATOM 1384 C ASP A 88 22.144 21.289 3.878 1.00 0.00 C ATOM 1385 O ASP A 88 22.998 22.103 3.527 1.00 0.00 O ATOM 1386 CB ASP A 88 22.077 20.040 6.113 1.00 0.00 C ATOM 1387 CG ASP A 88 21.678 18.688 5.487 1.00 0.00 C ATOM 1388 OD1 ASP A 88 20.532 18.556 4.994 1.00 0.00 O ATOM 1389 OD2 ASP A 88 22.527 17.765 5.495 1.00 0.00 O ATOM 0 H ASP A 88 19.717 20.631 5.874 1.00 0.00 H new ATOM 0 HA ASP A 88 22.070 22.163 5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 88 23.162 20.068 6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.659 20.094 7.118 1.00 0.00 H new ATOM 1394 N ILE A 89 21.555 20.458 3.011 1.00 0.00 N ATOM 1395 CA ILE A 89 21.844 20.432 1.566 1.00 0.00 C ATOM 1396 C ILE A 89 21.541 21.800 0.937 1.00 0.00 C ATOM 1397 O ILE A 89 22.368 22.317 0.186 1.00 0.00 O ATOM 1398 CB ILE A 89 21.069 19.272 0.884 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.571 17.908 1.423 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.222 19.329 -0.649 1.00 0.00 C ATOM 1401 CD1 ILE A 89 20.761 16.691 0.952 1.00 0.00 C ATOM 0 H ILE A 89 20.854 19.773 3.294 1.00 0.00 H new ATOM 0 HA ILE A 89 22.905 20.240 1.409 1.00 0.00 H new ATOM 0 HB ILE A 89 20.011 19.382 1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 89 22.610 17.774 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 89 21.557 17.936 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 89 20.669 18.505 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 89 20.829 20.276 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.276 19.246 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.186 15.783 1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.726 16.795 1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 89 20.795 16.630 -0.136 1.00 0.00 H new ATOM 1413 N THR A 90 20.412 22.424 1.300 1.00 0.00 N ATOM 1414 CA THR A 90 19.981 23.743 0.803 1.00 0.00 C ATOM 1415 C THR A 90 20.971 24.838 1.200 1.00 0.00 C ATOM 1416 O THR A 90 21.357 25.629 0.347 1.00 0.00 O ATOM 1417 CB THR A 90 18.556 24.067 1.278 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.682 23.034 0.885 1.00 0.00 O ATOM 1419 CG2 THR A 90 18.007 25.350 0.656 1.00 0.00 C ATOM 0 H THR A 90 19.754 22.017 1.965 1.00 0.00 H new ATOM 0 HA THR A 90 19.966 23.704 -0.286 1.00 0.00 H new ATOM 0 HB THR A 90 18.613 24.180 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.846 22.240 1.436 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.998 25.531 1.026 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.648 26.189 0.926 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.983 25.247 -0.429 1.00 0.00 H new ATOM 1427 N VAL A 91 21.431 24.851 2.452 1.00 0.00 N ATOM 1428 CA VAL A 91 22.446 25.791 2.960 1.00 0.00 C ATOM 1429 C VAL A 91 23.790 25.608 2.235 1.00 0.00 C ATOM 1430 O VAL A 91 24.392 26.596 1.817 1.00 0.00 O ATOM 1431 CB VAL A 91 22.621 25.639 4.493 1.00 0.00 C ATOM 1432 CG1 VAL A 91 23.882 26.330 5.043 1.00 0.00 C ATOM 1433 CG2 VAL A 91 21.410 26.223 5.241 1.00 0.00 C ATOM 0 H VAL A 91 21.104 24.195 3.162 1.00 0.00 H new ATOM 0 HA VAL A 91 22.094 26.802 2.756 1.00 0.00 H new ATOM 0 HB VAL A 91 22.715 24.566 4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 91 23.937 26.181 6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 91 24.767 25.902 4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 91 23.836 27.397 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 91 21.554 26.105 6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 91 21.311 27.282 5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 91 20.506 25.696 4.937 1.00 0.00 H new ATOM 1443 N GLU A 92 24.263 24.371 2.054 1.00 0.00 N ATOM 1444 CA GLU A 92 25.547 24.118 1.383 1.00 0.00 C ATOM 1445 C GLU A 92 25.488 24.425 -0.125 1.00 0.00 C ATOM 1446 O GLU A 92 26.434 24.997 -0.672 1.00 0.00 O ATOM 1447 CB GLU A 92 26.015 22.676 1.639 1.00 0.00 C ATOM 1448 CG GLU A 92 26.396 22.406 3.105 1.00 0.00 C ATOM 1449 CD GLU A 92 27.580 23.261 3.581 1.00 0.00 C ATOM 1450 OE1 GLU A 92 28.719 23.042 3.102 1.00 0.00 O ATOM 1451 OE2 GLU A 92 27.384 24.150 4.443 1.00 0.00 O ATOM 0 H GLU A 92 23.778 23.528 2.362 1.00 0.00 H new ATOM 0 HA GLU A 92 26.279 24.801 1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 92 25.223 21.988 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 92 26.874 22.463 1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.533 22.602 3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 92 26.645 21.351 3.222 1.00 0.00 H new ATOM 1458 N ALA A 93 24.373 24.114 -0.795 1.00 0.00 N ATOM 1459 CA ALA A 93 24.151 24.433 -2.205 1.00 0.00 C ATOM 1460 C ALA A 93 23.976 25.942 -2.461 1.00 0.00 C ATOM 1461 O ALA A 93 24.351 26.432 -3.526 1.00 0.00 O ATOM 1462 CB ALA A 93 22.935 23.632 -2.675 1.00 0.00 C ATOM 0 H ALA A 93 23.588 23.626 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 93 25.035 24.155 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.741 23.847 -3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 93 23.132 22.567 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 93 22.064 23.910 -2.081 1.00 0.00 H new ATOM 1468 N TYR A 94 23.436 26.690 -1.494 1.00 0.00 N ATOM 1469 CA TYR A 94 23.388 28.156 -1.500 1.00 0.00 C ATOM 1470 C TYR A 94 24.794 28.785 -1.412 1.00 0.00 C ATOM 1471 O TYR A 94 25.065 29.774 -2.097 1.00 0.00 O ATOM 1472 CB TYR A 94 22.483 28.605 -0.340 1.00 0.00 C ATOM 1473 CG TYR A 94 22.509 30.087 -0.023 1.00 0.00 C ATOM 1474 CD1 TYR A 94 21.690 30.979 -0.742 1.00 0.00 C ATOM 1475 CD2 TYR A 94 23.342 30.571 1.005 1.00 0.00 C ATOM 1476 CE1 TYR A 94 21.693 32.351 -0.426 1.00 0.00 C ATOM 1477 CE2 TYR A 94 23.355 31.943 1.322 1.00 0.00 C ATOM 1478 CZ TYR A 94 22.526 32.838 0.606 1.00 0.00 C ATOM 1479 OH TYR A 94 22.521 34.166 0.908 1.00 0.00 O ATOM 0 H TYR A 94 23.009 26.282 -0.663 1.00 0.00 H new ATOM 0 HA TYR A 94 22.975 28.504 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 94 21.457 28.320 -0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 94 22.772 28.055 0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 94 21.059 30.610 -1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 94 23.973 29.887 1.552 1.00 0.00 H new ATOM 0 HE1 TYR A 94 21.058 33.032 -0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 94 23.996 32.311 2.109 1.00 0.00 H new ATOM 0 HH TYR A 94 23.148 34.337 1.641 1.00 0.00 H new ATOM 1489 N LYS A 95 25.714 28.196 -0.632 1.00 0.00 N ATOM 1490 CA LYS A 95 27.109 28.661 -0.527 1.00 0.00 C ATOM 1491 C LYS A 95 27.910 28.444 -1.827 1.00 0.00 C ATOM 1492 O LYS A 95 28.685 29.318 -2.220 1.00 0.00 O ATOM 1493 CB LYS A 95 27.811 27.949 0.642 1.00 0.00 C ATOM 1494 CG LYS A 95 27.304 28.376 2.028 1.00 0.00 C ATOM 1495 CD LYS A 95 27.914 27.453 3.091 1.00 0.00 C ATOM 1496 CE LYS A 95 27.337 27.731 4.485 1.00 0.00 C ATOM 1497 NZ LYS A 95 27.833 26.735 5.473 1.00 0.00 N ATOM 0 H LYS A 95 25.512 27.381 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 95 27.075 29.735 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 95 27.676 26.873 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 95 28.882 28.144 0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 95 27.579 29.412 2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 95 26.216 28.323 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 95 27.727 26.414 2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 95 28.996 27.587 3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 95 27.615 28.735 4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 95 26.248 27.699 4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 27.352 26.880 6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 27.636 25.774 5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 28.858 26.853 5.600 1.00 0.00 H new ATOM 1511 N SER A 96 27.733 27.309 -2.510 1.00 0.00 N ATOM 1512 CA SER A 96 28.461 26.977 -3.745 1.00 0.00 C ATOM 1513 C SER A 96 27.812 27.547 -5.021 1.00 0.00 C ATOM 1514 O SER A 96 28.457 27.602 -6.074 1.00 0.00 O ATOM 1515 CB SER A 96 28.560 25.451 -3.849 1.00 0.00 C ATOM 1516 OG SER A 96 27.277 24.857 -3.785 1.00 0.00 O ATOM 0 H SER A 96 27.074 26.586 -2.221 1.00 0.00 H new ATOM 0 HA SER A 96 29.446 27.440 -3.679 1.00 0.00 H new ATOM 0 HB2 SER A 96 29.046 25.177 -4.785 1.00 0.00 H new ATOM 0 HB3 SER A 96 29.184 25.067 -3.042 1.00 0.00 H new ATOM 0 HG SER A 96 27.352 23.896 -3.961 1.00 0.00 H new ATOM 1522 N GLY A 97 26.539 27.964 -4.949 1.00 0.00 N ATOM 1523 CA GLY A 97 25.735 28.414 -6.097 1.00 0.00 C ATOM 1524 C GLY A 97 25.012 27.268 -6.815 1.00 0.00 C ATOM 1525 O GLY A 97 24.333 27.501 -7.813 1.00 0.00 O ATOM 0 H GLY A 97 26.026 27.999 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 97 24.999 29.141 -5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 97 26.383 28.928 -6.807 1.00 0.00 H new ATOM 1529 N GLU A 98 25.111 26.042 -6.300 1.00 0.00 N ATOM 1530 CA GLU A 98 24.461 24.851 -6.864 1.00 0.00 C ATOM 1531 C GLU A 98 22.931 24.917 -6.733 1.00 0.00 C ATOM 1532 O GLU A 98 22.222 24.373 -7.579 1.00 0.00 O ATOM 1533 CB GLU A 98 25.006 23.585 -6.183 1.00 0.00 C ATOM 1534 CG GLU A 98 26.493 23.361 -6.493 1.00 0.00 C ATOM 1535 CD GLU A 98 27.039 22.167 -5.699 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.487 22.377 -4.545 1.00 0.00 O ATOM 1537 OE2 GLU A 98 27.030 21.026 -6.220 1.00 0.00 O ATOM 0 H GLU A 98 25.656 25.841 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 98 24.693 24.816 -7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 98 24.868 23.665 -5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 98 24.432 22.719 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 98 26.624 23.185 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.060 24.258 -6.246 1.00 0.00 H new ATOM 1544 N LEU A 99 22.407 25.636 -5.730 1.00 0.00 N ATOM 1545 CA LEU A 99 20.966 25.879 -5.589 1.00 0.00 C ATOM 1546 C LEU A 99 20.433 26.704 -6.771 1.00 0.00 C ATOM 1547 O LEU A 99 19.444 26.304 -7.385 1.00 0.00 O ATOM 1548 CB LEU A 99 20.702 26.528 -4.211 1.00 0.00 C ATOM 1549 CG LEU A 99 19.214 26.760 -3.868 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.387 25.467 -3.871 1.00 0.00 C ATOM 1551 CD2 LEU A 99 19.116 27.397 -2.476 1.00 0.00 C ATOM 0 H LEU A 99 22.970 26.064 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 99 20.415 24.939 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.142 25.896 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.221 27.486 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 99 18.806 27.412 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.351 25.697 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.430 25.010 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.792 24.775 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 99 18.068 27.564 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 99 19.563 26.731 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.646 28.349 -2.473 1.00 0.00 H new ATOM 1563 N GLN A 100 21.119 27.793 -7.150 1.00 0.00 N ATOM 1564 CA GLN A 100 20.784 28.560 -8.361 1.00 0.00 C ATOM 1565 C GLN A 100 20.843 27.662 -9.602 1.00 0.00 C ATOM 1566 O GLN A 100 19.884 27.632 -10.369 1.00 0.00 O ATOM 1567 CB GLN A 100 21.734 29.756 -8.567 1.00 0.00 C ATOM 1568 CG GLN A 100 21.613 30.845 -7.492 1.00 0.00 C ATOM 1569 CD GLN A 100 22.450 32.086 -7.827 1.00 0.00 C ATOM 1570 OE1 GLN A 100 21.938 33.147 -8.164 1.00 0.00 O ATOM 1571 NE2 GLN A 100 23.766 32.009 -7.758 1.00 0.00 N ATOM 0 H GLN A 100 21.915 28.165 -6.631 1.00 0.00 H new ATOM 0 HA GLN A 100 19.772 28.940 -8.223 1.00 0.00 H new ATOM 0 HB2 GLN A 100 22.761 29.391 -8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 100 21.536 30.200 -9.543 1.00 0.00 H new ATOM 0 HG2 GLN A 100 20.567 31.133 -7.385 1.00 0.00 H new ATOM 0 HG3 GLN A 100 21.933 30.442 -6.531 1.00 0.00 H new ATOM 0 HE21 GLN A 100 24.212 31.135 -7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.337 32.824 -7.983 1.00 0.00 H new ATOM 1580 N GLU A 101 21.928 26.894 -9.764 1.00 0.00 N ATOM 1581 CA GLU A 101 22.127 26.001 -10.914 1.00 0.00 C ATOM 1582 C GLU A 101 20.980 24.980 -11.045 1.00 0.00 C ATOM 1583 O GLU A 101 20.411 24.825 -12.127 1.00 0.00 O ATOM 1584 CB GLU A 101 23.486 25.293 -10.778 1.00 0.00 C ATOM 1585 CG GLU A 101 23.934 24.561 -12.048 1.00 0.00 C ATOM 1586 CD GLU A 101 24.322 25.532 -13.175 1.00 0.00 C ATOM 1587 OE1 GLU A 101 25.399 26.168 -13.080 1.00 0.00 O ATOM 1588 OE2 GLU A 101 23.569 25.652 -14.171 1.00 0.00 O ATOM 0 H GLU A 101 22.699 26.874 -9.096 1.00 0.00 H new ATOM 0 HA GLU A 101 22.123 26.598 -11.826 1.00 0.00 H new ATOM 0 HB2 GLU A 101 24.243 26.029 -10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.431 24.577 -9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 101 24.784 23.920 -11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 101 23.130 23.911 -12.393 1.00 0.00 H new ATOM 1595 N GLN A 102 20.607 24.302 -9.954 1.00 0.00 N ATOM 1596 CA GLN A 102 19.515 23.330 -9.950 1.00 0.00 C ATOM 1597 C GLN A 102 18.136 23.982 -10.112 1.00 0.00 C ATOM 1598 O GLN A 102 17.307 23.431 -10.834 1.00 0.00 O ATOM 1599 CB GLN A 102 19.572 22.473 -8.675 1.00 0.00 C ATOM 1600 CG GLN A 102 20.775 21.508 -8.641 1.00 0.00 C ATOM 1601 CD GLN A 102 20.659 20.392 -9.681 1.00 0.00 C ATOM 1602 OE1 GLN A 102 21.161 20.486 -10.795 1.00 0.00 O ATOM 1603 NE2 GLN A 102 19.972 19.306 -9.379 1.00 0.00 N ATOM 0 H GLN A 102 21.058 24.415 -9.046 1.00 0.00 H new ATOM 0 HA GLN A 102 19.654 22.688 -10.820 1.00 0.00 H new ATOM 0 HB2 GLN A 102 19.617 23.130 -7.806 1.00 0.00 H new ATOM 0 HB3 GLN A 102 18.651 21.897 -8.591 1.00 0.00 H new ATOM 0 HG2 GLN A 102 21.693 22.070 -8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 102 20.856 21.068 -7.647 1.00 0.00 H new ATOM 0 HE21 GLN A 102 19.547 19.211 -8.456 1.00 0.00 H new ATOM 0 HE22 GLN A 102 19.866 18.562 -10.068 1.00 0.00 H new ATOM 1612 N VAL A 103 17.880 25.145 -9.498 1.00 0.00 N ATOM 1613 CA VAL A 103 16.612 25.876 -9.682 1.00 0.00 C ATOM 1614 C VAL A 103 16.454 26.353 -11.134 1.00 0.00 C ATOM 1615 O VAL A 103 15.382 26.176 -11.709 1.00 0.00 O ATOM 1616 CB VAL A 103 16.474 27.046 -8.680 1.00 0.00 C ATOM 1617 CG1 VAL A 103 15.337 28.022 -9.033 1.00 0.00 C ATOM 1618 CG2 VAL A 103 16.196 26.499 -7.267 1.00 0.00 C ATOM 0 H VAL A 103 18.536 25.604 -8.866 1.00 0.00 H new ATOM 0 HA VAL A 103 15.799 25.180 -9.472 1.00 0.00 H new ATOM 0 HB VAL A 103 17.418 27.589 -8.726 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.297 28.818 -8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 103 15.520 28.454 -10.017 1.00 0.00 H new ATOM 0 HG13 VAL A 103 14.388 27.486 -9.043 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.100 27.330 -6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.271 25.923 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 103 17.020 25.857 -6.957 1.00 0.00 H new ATOM 1628 N GLU A 104 17.506 26.895 -11.761 1.00 0.00 N ATOM 1629 CA GLU A 104 17.489 27.271 -13.176 1.00 0.00 C ATOM 1630 C GLU A 104 17.275 26.045 -14.079 1.00 0.00 C ATOM 1631 O GLU A 104 16.424 26.078 -14.971 1.00 0.00 O ATOM 1632 CB GLU A 104 18.785 28.000 -13.564 1.00 0.00 C ATOM 1633 CG GLU A 104 18.785 29.455 -13.078 1.00 0.00 C ATOM 1634 CD GLU A 104 20.029 30.207 -13.570 1.00 0.00 C ATOM 1635 OE1 GLU A 104 20.063 30.611 -14.760 1.00 0.00 O ATOM 1636 OE2 GLU A 104 20.976 30.424 -12.777 1.00 0.00 O ATOM 0 H GLU A 104 18.395 27.085 -11.297 1.00 0.00 H new ATOM 0 HA GLU A 104 16.650 27.951 -13.324 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.640 27.474 -13.138 1.00 0.00 H new ATOM 0 HB3 GLU A 104 18.904 27.978 -14.647 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.887 29.960 -13.435 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.751 29.477 -11.989 1.00 0.00 H new ATOM 1643 N LYS A 105 17.972 24.935 -13.812 1.00 0.00 N ATOM 1644 CA LYS A 105 17.781 23.676 -14.537 1.00 0.00 C ATOM 1645 C LYS A 105 16.338 23.153 -14.406 1.00 0.00 C ATOM 1646 O LYS A 105 15.758 22.717 -15.399 1.00 0.00 O ATOM 1647 CB LYS A 105 18.823 22.656 -14.040 1.00 0.00 C ATOM 1648 CG LYS A 105 18.804 21.354 -14.856 1.00 0.00 C ATOM 1649 CD LYS A 105 19.930 20.411 -14.407 1.00 0.00 C ATOM 1650 CE LYS A 105 19.909 19.124 -15.248 1.00 0.00 C ATOM 1651 NZ LYS A 105 21.011 18.200 -14.869 1.00 0.00 N ATOM 0 H LYS A 105 18.686 24.885 -13.085 1.00 0.00 H new ATOM 0 HA LYS A 105 17.935 23.844 -15.603 1.00 0.00 H new ATOM 0 HB2 LYS A 105 19.817 23.101 -14.093 1.00 0.00 H new ATOM 0 HB3 LYS A 105 18.632 22.427 -12.992 1.00 0.00 H new ATOM 0 HG2 LYS A 105 17.840 20.859 -14.737 1.00 0.00 H new ATOM 0 HG3 LYS A 105 18.916 21.582 -15.916 1.00 0.00 H new ATOM 0 HD2 LYS A 105 20.894 20.908 -14.512 1.00 0.00 H new ATOM 0 HD3 LYS A 105 19.811 20.167 -13.351 1.00 0.00 H new ATOM 0 HE2 LYS A 105 18.951 18.620 -15.118 1.00 0.00 H new ATOM 0 HE3 LYS A 105 19.995 19.378 -16.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 20.964 17.344 -15.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 21.926 18.672 -15.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 20.915 17.937 -13.867 1.00 0.00 H new ATOM 1665 N ALA A 106 15.720 23.253 -13.223 1.00 0.00 N ATOM 1666 CA ALA A 106 14.315 22.897 -13.002 1.00 0.00 C ATOM 1667 C ALA A 106 13.334 23.823 -13.743 1.00 0.00 C ATOM 1668 O ALA A 106 12.323 23.350 -14.260 1.00 0.00 O ATOM 1669 CB ALA A 106 14.055 22.902 -11.493 1.00 0.00 C ATOM 0 H ALA A 106 16.189 23.588 -12.382 1.00 0.00 H new ATOM 0 HA ALA A 106 14.138 21.904 -13.416 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.014 22.640 -11.302 1.00 0.00 H new ATOM 0 HB2 ALA A 106 14.707 22.175 -11.009 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.258 23.895 -11.092 1.00 0.00 H new ATOM 1675 N MET A 107 13.624 25.125 -13.844 1.00 0.00 N ATOM 1676 CA MET A 107 12.819 26.060 -14.642 1.00 0.00 C ATOM 1677 C MET A 107 12.915 25.762 -16.146 1.00 0.00 C ATOM 1678 O MET A 107 11.893 25.809 -16.832 1.00 0.00 O ATOM 1679 CB MET A 107 13.211 27.516 -14.335 1.00 0.00 C ATOM 1680 CG MET A 107 12.801 27.952 -12.917 1.00 0.00 C ATOM 1681 SD MET A 107 11.034 27.860 -12.503 1.00 0.00 S ATOM 1682 CE MET A 107 10.372 29.127 -13.617 1.00 0.00 C ATOM 0 H MET A 107 14.420 25.560 -13.377 1.00 0.00 H new ATOM 0 HA MET A 107 11.776 25.920 -14.357 1.00 0.00 H new ATOM 0 HB2 MET A 107 14.289 27.630 -14.449 1.00 0.00 H new ATOM 0 HB3 MET A 107 12.742 28.176 -15.064 1.00 0.00 H new ATOM 0 HG2 MET A 107 13.349 27.338 -12.202 1.00 0.00 H new ATOM 0 HG3 MET A 107 13.130 28.981 -12.771 1.00 0.00 H new ATOM 0 HE1 MET A 107 9.304 29.247 -13.437 1.00 0.00 H new ATOM 0 HE2 MET A 107 10.880 30.074 -13.434 1.00 0.00 H new ATOM 0 HE3 MET A 107 10.534 28.823 -14.651 1.00 0.00 H new ATOM 1692 N CYS A 108 14.099 25.388 -16.645 1.00 0.00 N ATOM 1693 CA CYS A 108 14.320 25.018 -18.052 1.00 0.00 C ATOM 1694 C CYS A 108 13.748 23.632 -18.433 1.00 0.00 C ATOM 1695 O CYS A 108 13.254 23.472 -19.554 1.00 0.00 O ATOM 1696 CB CYS A 108 15.830 25.071 -18.344 1.00 0.00 C ATOM 1697 SG CYS A 108 16.482 26.749 -18.073 1.00 0.00 S ATOM 0 H CYS A 108 14.944 25.332 -16.076 1.00 0.00 H new ATOM 0 HA CYS A 108 13.776 25.737 -18.665 1.00 0.00 H new ATOM 0 HB2 CYS A 108 16.354 24.364 -17.701 1.00 0.00 H new ATOM 0 HB3 CYS A 108 16.017 24.765 -19.373 1.00 0.00 H new ATOM 0 HG CYS A 108 16.637 26.954 -16.799 1.00 0.00 H new ATOM 1703 N SER A 109 13.830 22.652 -17.519 1.00 0.00 N ATOM 1704 CA SER A 109 13.496 21.220 -17.696 1.00 0.00 C ATOM 1705 C SER A 109 14.286 20.572 -18.850 1.00 0.00 C ATOM 1706 O SER A 109 15.537 20.549 -18.770 1.00 0.00 O ATOM 1707 CB SER A 109 11.983 21.002 -17.838 1.00 0.00 C ATOM 1708 OG SER A 109 11.313 21.409 -16.661 1.00 0.00 O ATOM 1709 OXT SER A 109 13.683 20.056 -19.822 1.00 0.00 O ATOM 0 H SER A 109 14.153 22.847 -16.571 1.00 0.00 H new ATOM 0 HA SER A 109 13.808 20.709 -16.785 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.607 21.566 -18.692 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.778 19.950 -18.035 1.00 0.00 H new ATOM 0 HG SER A 109 11.759 21.020 -15.880 1.00 0.00 H new TER 1715 SER A 109