USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.00156) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 172:sc= -1.18 (180deg=-1.49) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.16 X(o=0.16,f=0) USER MOD Single : A 34 MET CE :methyl 148:sc= -0.42 (180deg=-1.41!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc=-0.00924 X(o=-0.0092,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 85:sc= 1.01 USER MOD Single : A 51 GLN : amide:sc= -2.45 K(o=-2.5,f=-5.8!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -2.28 K(o=-2.3,f=-5.2) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.12) USER MOD Single : A 65 GLN : amide:sc= 0.143 K(o=0.14,f=-3.2!) USER MOD Single : A 69 THR OG1 : rot -170:sc= -0.822 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.035 -1.465 -0.153 1.00 63.04 N ATOM 2 CA MET A 1 1.709 -1.612 -1.439 1.00 33.15 C ATOM 3 C MET A 1 3.103 -2.204 -1.257 1.00 50.41 C ATOM 4 O MET A 1 3.319 -3.393 -1.490 1.00 22.13 O ATOM 5 CB MET A 1 1.804 -0.259 -2.146 1.00 60.24 C ATOM 6 CG MET A 1 0.523 0.147 -2.857 1.00 31.52 C ATOM 7 SD MET A 1 -0.071 1.770 -2.345 1.00 12.05 S ATOM 8 CE MET A 1 -0.832 2.346 -3.860 1.00 43.14 C ATOM 0 H1 MET A 1 0.088 -1.061 -0.301 1.00 63.04 H new ATOM 0 H2 MET A 1 0.946 -2.397 0.301 1.00 63.04 H new ATOM 0 H3 MET A 1 1.589 -0.833 0.459 1.00 63.04 H new ATOM 0 HA MET A 1 1.122 -2.294 -2.054 1.00 33.15 H new ATOM 0 HB2 MET A 1 2.062 0.507 -1.414 1.00 60.24 H new ATOM 0 HB3 MET A 1 2.617 -0.294 -2.871 1.00 60.24 H new ATOM 0 HG2 MET A 1 0.695 0.150 -3.933 1.00 31.52 H new ATOM 0 HG3 MET A 1 -0.249 -0.597 -2.660 1.00 31.52 H new ATOM 0 HE1 MET A 1 -1.247 3.341 -3.703 1.00 43.14 H new ATOM 0 HE2 MET A 1 -0.083 2.386 -4.651 1.00 43.14 H new ATOM 0 HE3 MET A 1 -1.630 1.662 -4.150 1.00 43.14 H new ATOM 18 N LYS A 2 4.047 -1.366 -0.841 1.00 15.14 N ATOM 19 CA LYS A 2 5.420 -1.805 -0.627 1.00 23.22 C ATOM 20 C LYS A 2 5.876 -2.732 -1.749 1.00 41.13 C ATOM 21 O LYS A 2 6.678 -3.640 -1.530 1.00 41.11 O ATOM 22 CB LYS A 2 5.545 -2.519 0.721 1.00 62.41 C ATOM 23 CG LYS A 2 4.819 -3.852 0.773 1.00 72.35 C ATOM 24 CD LYS A 2 5.142 -4.615 2.046 1.00 5.13 C ATOM 25 CE LYS A 2 4.648 -6.051 1.977 1.00 74.50 C ATOM 26 NZ LYS A 2 3.161 -6.124 1.929 1.00 20.32 N ATOM 0 H LYS A 2 3.885 -0.378 -0.645 1.00 15.14 H new ATOM 0 HA LYS A 2 6.061 -0.923 -0.625 1.00 23.22 H new ATOM 0 HB2 LYS A 2 6.600 -2.681 0.940 1.00 62.41 H new ATOM 0 HB3 LYS A 2 5.152 -1.870 1.504 1.00 62.41 H new ATOM 0 HG2 LYS A 2 3.744 -3.684 0.712 1.00 72.35 H new ATOM 0 HG3 LYS A 2 5.098 -4.453 -0.093 1.00 72.35 H new ATOM 0 HD2 LYS A 2 6.219 -4.608 2.212 1.00 5.13 H new ATOM 0 HD3 LYS A 2 4.685 -4.113 2.898 1.00 5.13 H new ATOM 0 HE2 LYS A 2 5.064 -6.536 1.094 1.00 74.50 H new ATOM 0 HE3 LYS A 2 5.011 -6.602 2.845 1.00 74.50 H new ATOM 0 HZ1 LYS A 2 2.864 -7.119 1.883 1.00 20.32 H new ATOM 0 HZ2 LYS A 2 2.764 -5.684 2.783 1.00 20.32 H new ATOM 0 HZ3 LYS A 2 2.816 -5.620 1.087 1.00 20.32 H new ATOM 40 N ARG A 3 5.361 -2.496 -2.951 1.00 40.34 N ATOM 41 CA ARG A 3 5.716 -3.309 -4.108 1.00 31.30 C ATOM 42 C ARG A 3 5.825 -2.450 -5.364 1.00 75.24 C ATOM 43 O ARG A 3 5.175 -1.410 -5.476 1.00 71.32 O ATOM 44 CB ARG A 3 4.678 -4.413 -4.320 1.00 14.41 C ATOM 45 CG ARG A 3 3.398 -3.926 -4.981 1.00 22.31 C ATOM 46 CD ARG A 3 2.166 -4.407 -4.231 1.00 20.04 C ATOM 47 NE ARG A 3 1.105 -3.404 -4.222 1.00 14.14 N ATOM 48 CZ ARG A 3 -0.171 -3.686 -3.984 1.00 75.32 C ATOM 49 NH1 ARG A 3 -0.543 -4.935 -3.737 1.00 43.01 N ATOM 50 NH2 ARG A 3 -1.079 -2.719 -3.993 1.00 52.42 N ATOM 0 H ARG A 3 4.696 -1.748 -3.149 1.00 40.34 H new ATOM 0 HA ARG A 3 6.687 -3.765 -3.916 1.00 31.30 H new ATOM 0 HB2 ARG A 3 5.117 -5.200 -4.933 1.00 14.41 H new ATOM 0 HB3 ARG A 3 4.432 -4.859 -3.356 1.00 14.41 H new ATOM 0 HG2 ARG A 3 3.399 -2.837 -5.020 1.00 22.31 H new ATOM 0 HG3 ARG A 3 3.361 -4.282 -6.011 1.00 22.31 H new ATOM 0 HD2 ARG A 3 1.795 -5.323 -4.692 1.00 20.04 H new ATOM 0 HD3 ARG A 3 2.440 -4.655 -3.205 1.00 20.04 H new ATOM 0 HE ARG A 3 1.357 -2.434 -4.409 1.00 14.14 H new ATOM 0 HH11 ARG A 3 0.152 -5.682 -3.729 1.00 43.01 H new ATOM 0 HH12 ARG A 3 -1.524 -5.148 -3.555 1.00 43.01 H new ATOM 0 HH21 ARG A 3 -0.798 -1.757 -4.183 1.00 52.42 H new ATOM 0 HH22 ARG A 3 -2.058 -2.937 -3.810 1.00 52.42 H new ATOM 64 N PHE A 4 6.650 -2.892 -6.307 1.00 43.23 N ATOM 65 CA PHE A 4 6.845 -2.163 -7.555 1.00 45.11 C ATOM 66 C PHE A 4 6.525 -3.047 -8.757 1.00 41.31 C ATOM 67 O PHE A 4 7.169 -4.073 -8.976 1.00 0.03 O ATOM 68 CB PHE A 4 8.285 -1.652 -7.652 1.00 74.34 C ATOM 69 CG PHE A 4 8.382 -0.203 -8.035 1.00 71.23 C ATOM 70 CD1 PHE A 4 7.671 0.760 -7.338 1.00 5.53 C ATOM 71 CD2 PHE A 4 9.184 0.195 -9.092 1.00 41.43 C ATOM 72 CE1 PHE A 4 7.759 2.094 -7.689 1.00 13.44 C ATOM 73 CE2 PHE A 4 9.276 1.528 -9.447 1.00 54.15 C ATOM 74 CZ PHE A 4 8.563 2.479 -8.744 1.00 33.11 C ATOM 0 H PHE A 4 7.194 -3.751 -6.231 1.00 43.23 H new ATOM 0 HA PHE A 4 6.164 -1.312 -7.560 1.00 45.11 H new ATOM 0 HB2 PHE A 4 8.780 -1.800 -6.692 1.00 74.34 H new ATOM 0 HB3 PHE A 4 8.826 -2.250 -8.385 1.00 74.34 H new ATOM 0 HD1 PHE A 4 7.041 0.465 -6.512 1.00 5.53 H new ATOM 0 HD2 PHE A 4 9.744 -0.545 -9.645 1.00 41.43 H new ATOM 0 HE1 PHE A 4 7.199 2.835 -7.138 1.00 13.44 H new ATOM 0 HE2 PHE A 4 9.905 1.825 -10.273 1.00 54.15 H new ATOM 0 HZ PHE A 4 8.634 3.521 -9.018 1.00 33.11 H new ATOM 84 N ASP A 5 5.526 -2.641 -9.532 1.00 53.23 N ATOM 85 CA ASP A 5 5.119 -3.395 -10.713 1.00 0.53 C ATOM 86 C ASP A 5 5.943 -2.985 -11.930 1.00 13.34 C ATOM 87 O ASP A 5 5.746 -1.906 -12.491 1.00 74.45 O ATOM 88 CB ASP A 5 3.631 -3.180 -10.993 1.00 72.40 C ATOM 89 CG ASP A 5 2.847 -4.478 -10.981 1.00 12.10 C ATOM 90 OD1 ASP A 5 2.371 -4.874 -9.896 1.00 62.11 O ATOM 91 OD2 ASP A 5 2.708 -5.097 -12.056 1.00 50.35 O ATOM 0 H ASP A 5 4.983 -1.794 -9.364 1.00 53.23 H new ATOM 0 HA ASP A 5 5.295 -4.453 -10.517 1.00 0.53 H new ATOM 0 HB2 ASP A 5 3.218 -2.502 -10.246 1.00 72.40 H new ATOM 0 HB3 ASP A 5 3.513 -2.696 -11.963 1.00 72.40 H new ATOM 96 N LEU A 6 6.866 -3.851 -12.331 1.00 44.31 N ATOM 97 CA LEU A 6 7.722 -3.579 -13.481 1.00 54.23 C ATOM 98 C LEU A 6 7.300 -4.417 -14.684 1.00 13.12 C ATOM 99 O LEU A 6 7.939 -4.378 -15.735 1.00 24.40 O ATOM 100 CB LEU A 6 9.184 -3.865 -13.134 1.00 14.34 C ATOM 101 CG LEU A 6 9.891 -2.807 -12.287 1.00 4.53 C ATOM 102 CD1 LEU A 6 9.788 -1.439 -12.945 1.00 22.41 C ATOM 103 CD2 LEU A 6 9.308 -2.770 -10.882 1.00 13.31 C ATOM 0 H LEU A 6 7.041 -4.748 -11.877 1.00 44.31 H new ATOM 0 HA LEU A 6 7.616 -2.525 -13.740 1.00 54.23 H new ATOM 0 HB2 LEU A 6 9.232 -4.817 -12.605 1.00 14.34 H new ATOM 0 HB3 LEU A 6 9.740 -3.989 -14.063 1.00 14.34 H new ATOM 0 HG LEU A 6 10.945 -3.074 -12.214 1.00 4.53 H new ATOM 0 HD11 LEU A 6 10.297 -0.699 -12.327 1.00 22.41 H new ATOM 0 HD12 LEU A 6 10.254 -1.473 -13.930 1.00 22.41 H new ATOM 0 HD13 LEU A 6 8.739 -1.164 -13.050 1.00 22.41 H new ATOM 0 HD21 LEU A 6 9.824 -2.011 -10.294 1.00 13.31 H new ATOM 0 HD22 LEU A 6 8.246 -2.529 -10.935 1.00 13.31 H new ATOM 0 HD23 LEU A 6 9.436 -3.744 -10.409 1.00 13.31 H new ATOM 115 N ARG A 7 6.218 -5.172 -14.522 1.00 40.01 N ATOM 116 CA ARG A 7 5.710 -6.019 -15.595 1.00 11.42 C ATOM 117 C ARG A 7 5.576 -5.229 -16.894 1.00 10.15 C ATOM 118 O ARG A 7 6.201 -5.543 -17.907 1.00 13.11 O ATOM 119 CB ARG A 7 4.356 -6.614 -15.205 1.00 54.14 C ATOM 120 CG ARG A 7 4.407 -8.104 -14.912 1.00 62.52 C ATOM 121 CD ARG A 7 3.350 -8.509 -13.896 1.00 64.34 C ATOM 122 NE ARG A 7 1.996 -8.312 -14.407 1.00 4.42 N ATOM 123 CZ ARG A 7 1.461 -9.048 -15.374 1.00 40.44 C ATOM 124 NH1 ARG A 7 2.161 -10.025 -15.933 1.00 23.10 N ATOM 125 NH2 ARG A 7 0.222 -8.807 -15.785 1.00 4.33 N ATOM 0 H ARG A 7 5.677 -5.214 -13.659 1.00 40.01 H new ATOM 0 HA ARG A 7 6.423 -6.828 -15.754 1.00 11.42 H new ATOM 0 HB2 ARG A 7 3.979 -6.092 -14.325 1.00 54.14 H new ATOM 0 HB3 ARG A 7 3.644 -6.435 -16.011 1.00 54.14 H new ATOM 0 HG2 ARG A 7 4.258 -8.663 -15.836 1.00 62.52 H new ATOM 0 HG3 ARG A 7 5.395 -8.368 -14.535 1.00 62.52 H new ATOM 0 HD2 ARG A 7 3.487 -9.557 -13.628 1.00 64.34 H new ATOM 0 HD3 ARG A 7 3.482 -7.927 -12.984 1.00 64.34 H new ATOM 0 HE ARG A 7 1.430 -7.568 -13.999 1.00 4.42 H new ATOM 0 HH11 ARG A 7 3.114 -10.213 -15.621 1.00 23.10 H new ATOM 0 HH12 ARG A 7 1.747 -10.589 -16.676 1.00 23.10 H new ATOM 0 HH21 ARG A 7 -0.320 -8.056 -15.358 1.00 4.33 H new ATOM 0 HH22 ARG A 7 -0.188 -9.373 -16.528 1.00 4.33 H new ATOM 139 N PRO A 8 4.741 -4.179 -16.865 1.00 24.32 N ATOM 140 CA PRO A 8 4.506 -3.323 -18.031 1.00 72.11 C ATOM 141 C PRO A 8 5.722 -2.472 -18.380 1.00 54.34 C ATOM 142 O PRO A 8 5.757 -1.821 -19.426 1.00 1.14 O ATOM 143 CB PRO A 8 3.340 -2.435 -17.589 1.00 51.04 C ATOM 144 CG PRO A 8 3.430 -2.403 -16.103 1.00 3.22 C ATOM 145 CD PRO A 8 3.964 -3.747 -15.691 1.00 61.02 C ATOM 0 HA PRO A 8 4.300 -3.905 -18.929 1.00 72.11 H new ATOM 0 HB2 PRO A 8 3.422 -1.434 -18.012 1.00 51.04 H new ATOM 0 HB3 PRO A 8 2.385 -2.843 -17.919 1.00 51.04 H new ATOM 0 HG2 PRO A 8 4.090 -1.602 -15.769 1.00 3.22 H new ATOM 0 HG3 PRO A 8 2.453 -2.218 -15.657 1.00 3.22 H new ATOM 0 HD2 PRO A 8 4.588 -3.676 -14.800 1.00 61.02 H new ATOM 0 HD3 PRO A 8 3.160 -4.446 -15.462 1.00 61.02 H new ATOM 153 N LEU A 9 6.717 -2.480 -17.500 1.00 74.43 N ATOM 154 CA LEU A 9 7.936 -1.709 -17.716 1.00 53.20 C ATOM 155 C LEU A 9 8.892 -2.450 -18.644 1.00 62.24 C ATOM 156 O LEU A 9 8.843 -3.675 -18.755 1.00 21.43 O ATOM 157 CB LEU A 9 8.624 -1.421 -16.380 1.00 54.04 C ATOM 158 CG LEU A 9 8.624 0.039 -15.927 1.00 0.25 C ATOM 159 CD1 LEU A 9 7.684 0.232 -14.746 1.00 64.43 C ATOM 160 CD2 LEU A 9 10.034 0.485 -15.567 1.00 14.54 C ATOM 0 H LEU A 9 6.703 -3.012 -16.630 1.00 74.43 H new ATOM 0 HA LEU A 9 7.661 -0.765 -18.187 1.00 53.20 H new ATOM 0 HB2 LEU A 9 8.140 -2.020 -15.608 1.00 54.04 H new ATOM 0 HB3 LEU A 9 9.658 -1.760 -16.446 1.00 54.04 H new ATOM 0 HG LEU A 9 8.268 0.656 -16.752 1.00 0.25 H new ATOM 0 HD11 LEU A 9 7.697 1.277 -14.437 1.00 64.43 H new ATOM 0 HD12 LEU A 9 6.672 -0.048 -15.037 1.00 64.43 H new ATOM 0 HD13 LEU A 9 8.009 -0.395 -13.916 1.00 64.43 H new ATOM 0 HD21 LEU A 9 10.015 1.527 -15.247 1.00 14.54 H new ATOM 0 HD22 LEU A 9 10.417 -0.137 -14.758 1.00 14.54 H new ATOM 0 HD23 LEU A 9 10.681 0.385 -16.439 1.00 14.54 H new ATOM 172 N LYS A 10 9.764 -1.699 -19.309 1.00 70.52 N ATOM 173 CA LYS A 10 10.735 -2.284 -20.226 1.00 24.21 C ATOM 174 C LYS A 10 12.034 -2.621 -19.500 1.00 61.12 C ATOM 175 O LYS A 10 12.290 -2.124 -18.404 1.00 21.42 O ATOM 176 CB LYS A 10 11.019 -1.323 -21.382 1.00 44.31 C ATOM 177 CG LYS A 10 11.844 -0.113 -20.978 1.00 52.43 C ATOM 178 CD LYS A 10 12.005 0.863 -22.132 1.00 75.12 C ATOM 179 CE LYS A 10 10.870 1.876 -22.168 1.00 24.32 C ATOM 180 NZ LYS A 10 9.892 1.575 -23.249 1.00 73.31 N ATOM 0 H LYS A 10 9.818 -0.684 -19.230 1.00 70.52 H new ATOM 0 HA LYS A 10 10.312 -3.206 -20.624 1.00 24.21 H new ATOM 0 HB2 LYS A 10 11.543 -1.862 -22.171 1.00 44.31 H new ATOM 0 HB3 LYS A 10 10.072 -0.983 -21.802 1.00 44.31 H new ATOM 0 HG2 LYS A 10 11.365 0.391 -20.138 1.00 52.43 H new ATOM 0 HG3 LYS A 10 12.826 -0.439 -20.636 1.00 52.43 H new ATOM 0 HD2 LYS A 10 12.957 1.385 -22.038 1.00 75.12 H new ATOM 0 HD3 LYS A 10 12.034 0.314 -23.073 1.00 75.12 H new ATOM 0 HE2 LYS A 10 10.358 1.882 -21.206 1.00 24.32 H new ATOM 0 HE3 LYS A 10 11.280 2.875 -22.317 1.00 24.32 H new ATOM 0 HZ1 LYS A 10 9.001 2.078 -23.061 1.00 73.31 H new ATOM 0 HZ2 LYS A 10 10.278 1.886 -24.163 1.00 73.31 H new ATOM 0 HZ3 LYS A 10 9.712 0.551 -23.279 1.00 73.31 H new ATOM 194 N ALA A 11 12.851 -3.467 -20.120 1.00 12.30 N ATOM 195 CA ALA A 11 14.124 -3.867 -19.534 1.00 43.53 C ATOM 196 C ALA A 11 15.123 -2.714 -19.553 1.00 70.31 C ATOM 197 O ALA A 11 15.094 -1.869 -20.446 1.00 55.14 O ATOM 198 CB ALA A 11 14.690 -5.070 -20.273 1.00 62.22 C ATOM 0 H ALA A 11 12.654 -3.888 -21.028 1.00 12.30 H new ATOM 0 HA ALA A 11 13.947 -4.143 -18.495 1.00 43.53 H new ATOM 0 HB1 ALA A 11 15.641 -5.358 -19.825 1.00 62.22 H new ATOM 0 HB2 ALA A 11 13.989 -5.902 -20.204 1.00 62.22 H new ATOM 0 HB3 ALA A 11 14.846 -4.813 -21.321 1.00 62.22 H new ATOM 204 N GLY A 12 16.007 -2.687 -18.560 1.00 52.20 N ATOM 205 CA GLY A 12 17.002 -1.633 -18.481 1.00 74.14 C ATOM 206 C GLY A 12 16.570 -0.494 -17.579 1.00 32.30 C ATOM 207 O GLY A 12 17.386 0.076 -16.854 1.00 60.33 O ATOM 0 H GLY A 12 16.052 -3.376 -17.809 1.00 52.20 H new ATOM 0 HA2 GLY A 12 17.939 -2.049 -18.112 1.00 74.14 H new ATOM 0 HA3 GLY A 12 17.197 -1.246 -19.481 1.00 74.14 H new ATOM 211 N ILE A 13 15.284 -0.161 -17.624 1.00 4.13 N ATOM 212 CA ILE A 13 14.747 0.918 -16.804 1.00 75.21 C ATOM 213 C ILE A 13 14.038 0.370 -15.570 1.00 72.31 C ATOM 214 O ILE A 13 13.868 1.074 -14.574 1.00 62.34 O ATOM 215 CB ILE A 13 13.762 1.793 -17.601 1.00 52.34 C ATOM 216 CG1 ILE A 13 14.430 2.323 -18.872 1.00 73.31 C ATOM 217 CG2 ILE A 13 13.260 2.944 -16.742 1.00 30.35 C ATOM 218 CD1 ILE A 13 13.473 3.023 -19.811 1.00 14.32 C ATOM 0 H ILE A 13 14.596 -0.622 -18.219 1.00 4.13 H new ATOM 0 HA ILE A 13 15.594 1.529 -16.492 1.00 75.21 H new ATOM 0 HB ILE A 13 12.907 1.181 -17.889 1.00 52.34 H new ATOM 0 HG12 ILE A 13 15.224 3.015 -18.593 1.00 73.31 H new ATOM 0 HG13 ILE A 13 14.901 1.493 -19.399 1.00 73.31 H new ATOM 0 HG21 ILE A 13 12.565 3.553 -17.320 1.00 30.35 H new ATOM 0 HG22 ILE A 13 12.751 2.547 -15.863 1.00 30.35 H new ATOM 0 HG23 ILE A 13 14.104 3.557 -16.426 1.00 30.35 H new ATOM 0 HD11 ILE A 13 14.015 3.372 -20.690 1.00 14.32 H new ATOM 0 HD12 ILE A 13 12.692 2.328 -20.119 1.00 14.32 H new ATOM 0 HD13 ILE A 13 13.021 3.874 -19.302 1.00 14.32 H new ATOM 230 N PHE A 14 13.627 -0.892 -15.642 1.00 61.11 N ATOM 231 CA PHE A 14 12.937 -1.536 -14.530 1.00 62.04 C ATOM 232 C PHE A 14 13.888 -1.764 -13.359 1.00 20.11 C ATOM 233 O PHE A 14 13.472 -1.770 -12.201 1.00 73.51 O ATOM 234 CB PHE A 14 12.335 -2.869 -14.980 1.00 15.34 C ATOM 235 CG PHE A 14 13.305 -4.014 -14.927 1.00 3.30 C ATOM 236 CD1 PHE A 14 14.427 -4.026 -15.740 1.00 3.23 C ATOM 237 CD2 PHE A 14 13.095 -5.078 -14.065 1.00 63.11 C ATOM 238 CE1 PHE A 14 15.323 -5.078 -15.693 1.00 51.35 C ATOM 239 CE2 PHE A 14 13.987 -6.132 -14.014 1.00 65.42 C ATOM 240 CZ PHE A 14 15.102 -6.133 -14.830 1.00 51.22 C ATOM 0 H PHE A 14 13.760 -1.489 -16.458 1.00 61.11 H new ATOM 0 HA PHE A 14 12.135 -0.875 -14.200 1.00 62.04 H new ATOM 0 HB2 PHE A 14 11.476 -3.102 -14.350 1.00 15.34 H new ATOM 0 HB3 PHE A 14 11.964 -2.765 -16.000 1.00 15.34 H new ATOM 0 HD1 PHE A 14 14.604 -3.204 -16.418 1.00 3.23 H new ATOM 0 HD2 PHE A 14 12.224 -5.084 -13.426 1.00 63.11 H new ATOM 0 HE1 PHE A 14 16.195 -5.075 -16.331 1.00 51.35 H new ATOM 0 HE2 PHE A 14 13.813 -6.955 -13.337 1.00 65.42 H new ATOM 0 HZ PHE A 14 15.799 -6.957 -14.793 1.00 51.22 H new ATOM 250 N GLU A 15 15.167 -1.951 -13.670 1.00 72.42 N ATOM 251 CA GLU A 15 16.176 -2.181 -12.644 1.00 24.44 C ATOM 252 C GLU A 15 16.674 -0.860 -12.065 1.00 23.25 C ATOM 253 O GLU A 15 17.162 -0.810 -10.935 1.00 52.22 O ATOM 254 CB GLU A 15 17.352 -2.973 -13.221 1.00 12.11 C ATOM 255 CG GLU A 15 18.561 -3.025 -12.302 1.00 35.13 C ATOM 256 CD GLU A 15 19.658 -2.069 -12.726 1.00 51.42 C ATOM 257 OE1 GLU A 15 20.086 -2.140 -13.897 1.00 60.04 O ATOM 258 OE2 GLU A 15 20.089 -1.249 -11.888 1.00 73.41 O ATOM 0 H GLU A 15 15.528 -1.948 -14.624 1.00 72.42 H new ATOM 0 HA GLU A 15 15.716 -2.759 -11.842 1.00 24.44 H new ATOM 0 HB2 GLU A 15 17.024 -3.990 -13.434 1.00 12.11 H new ATOM 0 HB3 GLU A 15 17.647 -2.528 -14.171 1.00 12.11 H new ATOM 0 HG2 GLU A 15 18.250 -2.787 -11.285 1.00 35.13 H new ATOM 0 HG3 GLU A 15 18.956 -4.041 -12.285 1.00 35.13 H new ATOM 265 N ARG A 16 16.548 0.207 -12.847 1.00 21.23 N ATOM 266 CA ARG A 16 16.987 1.528 -12.413 1.00 75.13 C ATOM 267 C ARG A 16 15.923 2.196 -11.547 1.00 2.42 C ATOM 268 O ARG A 16 16.233 2.795 -10.516 1.00 23.02 O ATOM 269 CB ARG A 16 17.299 2.408 -13.625 1.00 24.20 C ATOM 270 CG ARG A 16 18.783 2.502 -13.943 1.00 32.33 C ATOM 271 CD ARG A 16 19.032 2.513 -15.443 1.00 35.01 C ATOM 272 NE ARG A 16 19.882 3.629 -15.848 1.00 71.03 N ATOM 273 CZ ARG A 16 19.981 4.060 -17.101 1.00 11.32 C ATOM 274 NH1 ARG A 16 19.286 3.473 -18.065 1.00 33.43 N ATOM 275 NH2 ARG A 16 20.776 5.082 -17.391 1.00 62.00 N ATOM 0 H ARG A 16 16.146 0.183 -13.784 1.00 21.23 H new ATOM 0 HA ARG A 16 17.892 1.406 -11.818 1.00 75.13 H new ATOM 0 HB2 ARG A 16 16.774 2.013 -14.495 1.00 24.20 H new ATOM 0 HB3 ARG A 16 16.910 3.410 -13.445 1.00 24.20 H new ATOM 0 HG2 ARG A 16 19.195 3.408 -13.498 1.00 32.33 H new ATOM 0 HG3 ARG A 16 19.307 1.659 -13.492 1.00 32.33 H new ATOM 0 HD2 ARG A 16 19.500 1.574 -15.740 1.00 35.01 H new ATOM 0 HD3 ARG A 16 18.079 2.574 -15.968 1.00 35.01 H new ATOM 0 HE ARG A 16 20.430 4.104 -15.130 1.00 71.03 H new ATOM 0 HH11 ARG A 16 18.673 2.688 -17.846 1.00 33.43 H new ATOM 0 HH12 ARG A 16 19.364 3.806 -19.026 1.00 33.43 H new ATOM 0 HH21 ARG A 16 21.312 5.537 -16.652 1.00 62.00 H new ATOM 0 HH22 ARG A 16 20.852 5.412 -18.353 1.00 62.00 H new ATOM 289 N LEU A 17 14.669 2.091 -11.972 1.00 21.01 N ATOM 290 CA LEU A 17 13.559 2.686 -11.235 1.00 70.54 C ATOM 291 C LEU A 17 13.358 1.986 -9.895 1.00 72.32 C ATOM 292 O LEU A 17 12.850 2.579 -8.945 1.00 15.52 O ATOM 293 CB LEU A 17 12.274 2.609 -12.062 1.00 11.14 C ATOM 294 CG LEU A 17 11.660 3.948 -12.474 1.00 22.44 C ATOM 295 CD1 LEU A 17 11.373 4.803 -11.249 1.00 61.41 C ATOM 296 CD2 LEU A 17 12.581 4.683 -13.436 1.00 5.22 C ATOM 0 H LEU A 17 14.395 1.600 -12.823 1.00 21.01 H new ATOM 0 HA LEU A 17 13.800 3.732 -11.045 1.00 70.54 H new ATOM 0 HB2 LEU A 17 12.480 2.034 -12.964 1.00 11.14 H new ATOM 0 HB3 LEU A 17 11.531 2.052 -11.491 1.00 11.14 H new ATOM 0 HG LEU A 17 10.717 3.752 -12.984 1.00 22.44 H new ATOM 0 HD11 LEU A 17 10.937 5.752 -11.562 1.00 61.41 H new ATOM 0 HD12 LEU A 17 10.675 4.280 -10.596 1.00 61.41 H new ATOM 0 HD13 LEU A 17 12.302 4.991 -10.711 1.00 61.41 H new ATOM 0 HD21 LEU A 17 12.128 5.633 -13.719 1.00 5.22 H new ATOM 0 HD22 LEU A 17 13.540 4.868 -12.952 1.00 5.22 H new ATOM 0 HD23 LEU A 17 12.735 4.075 -14.328 1.00 5.22 H new ATOM 308 N GLU A 18 13.762 0.721 -9.827 1.00 40.10 N ATOM 309 CA GLU A 18 13.627 -0.058 -8.602 1.00 71.41 C ATOM 310 C GLU A 18 14.322 0.637 -7.435 1.00 60.02 C ATOM 311 O GLU A 18 13.931 0.473 -6.280 1.00 61.41 O ATOM 312 CB GLU A 18 14.210 -1.460 -8.796 1.00 4.41 C ATOM 313 CG GLU A 18 13.318 -2.569 -8.265 1.00 63.22 C ATOM 314 CD GLU A 18 12.899 -3.548 -9.345 1.00 45.10 C ATOM 315 OE1 GLU A 18 12.268 -3.111 -10.329 1.00 75.35 O ATOM 316 OE2 GLU A 18 13.204 -4.751 -9.205 1.00 44.11 O ATOM 0 H GLU A 18 14.185 0.215 -10.605 1.00 40.10 H new ATOM 0 HA GLU A 18 12.565 -0.142 -8.371 1.00 71.41 H new ATOM 0 HB2 GLU A 18 14.389 -1.626 -9.858 1.00 4.41 H new ATOM 0 HB3 GLU A 18 15.178 -1.514 -8.298 1.00 4.41 H new ATOM 0 HG2 GLU A 18 13.844 -3.107 -7.476 1.00 63.22 H new ATOM 0 HG3 GLU A 18 12.429 -2.130 -7.813 1.00 63.22 H new ATOM 323 N GLU A 19 15.355 1.414 -7.747 1.00 70.50 N ATOM 324 CA GLU A 19 16.105 2.133 -6.724 1.00 64.42 C ATOM 325 C GLU A 19 15.369 3.400 -6.299 1.00 70.30 C ATOM 326 O GLU A 19 15.516 3.867 -5.169 1.00 13.21 O ATOM 327 CB GLU A 19 17.501 2.489 -7.240 1.00 51.53 C ATOM 328 CG GLU A 19 18.248 3.466 -6.348 1.00 44.43 C ATOM 329 CD GLU A 19 18.279 4.871 -6.919 1.00 11.15 C ATOM 330 OE1 GLU A 19 19.092 5.122 -7.833 1.00 20.02 O ATOM 331 OE2 GLU A 19 17.491 5.719 -6.451 1.00 13.11 O ATOM 0 H GLU A 19 15.691 1.561 -8.699 1.00 70.50 H new ATOM 0 HA GLU A 19 16.202 1.482 -5.855 1.00 64.42 H new ATOM 0 HB2 GLU A 19 18.088 1.575 -7.336 1.00 51.53 H new ATOM 0 HB3 GLU A 19 17.412 2.917 -8.239 1.00 51.53 H new ATOM 0 HG2 GLU A 19 17.777 3.488 -5.365 1.00 44.43 H new ATOM 0 HG3 GLU A 19 19.269 3.113 -6.205 1.00 44.43 H new ATOM 338 N LEU A 20 14.577 3.951 -7.212 1.00 41.01 N ATOM 339 CA LEU A 20 13.817 5.165 -6.933 1.00 62.33 C ATOM 340 C LEU A 20 12.793 4.924 -5.829 1.00 0.31 C ATOM 341 O LEU A 20 12.502 5.818 -5.034 1.00 11.33 O ATOM 342 CB LEU A 20 13.113 5.651 -8.201 1.00 14.31 C ATOM 343 CG LEU A 20 13.612 6.976 -8.780 1.00 35.32 C ATOM 344 CD1 LEU A 20 14.585 6.726 -9.922 1.00 12.25 C ATOM 345 CD2 LEU A 20 12.441 7.827 -9.251 1.00 21.54 C ATOM 0 H LEU A 20 14.444 3.577 -8.152 1.00 41.01 H new ATOM 0 HA LEU A 20 14.514 5.932 -6.595 1.00 62.33 H new ATOM 0 HB2 LEU A 20 13.215 4.882 -8.967 1.00 14.31 H new ATOM 0 HB3 LEU A 20 12.049 5.749 -7.987 1.00 14.31 H new ATOM 0 HG LEU A 20 14.137 7.519 -7.994 1.00 35.32 H new ATOM 0 HD11 LEU A 20 14.930 7.680 -10.322 1.00 12.25 H new ATOM 0 HD12 LEU A 20 15.439 6.157 -9.555 1.00 12.25 H new ATOM 0 HD13 LEU A 20 14.085 6.162 -10.709 1.00 12.25 H new ATOM 0 HD21 LEU A 20 12.815 8.766 -9.660 1.00 21.54 H new ATOM 0 HD22 LEU A 20 11.888 7.290 -10.022 1.00 21.54 H new ATOM 0 HD23 LEU A 20 11.781 8.035 -8.409 1.00 21.54 H new ATOM 357 N ILE A 21 12.252 3.712 -5.785 1.00 32.42 N ATOM 358 CA ILE A 21 11.263 3.353 -4.776 1.00 11.23 C ATOM 359 C ILE A 21 11.931 2.781 -3.530 1.00 61.12 C ATOM 360 O ILE A 21 11.463 2.990 -2.412 1.00 11.03 O ATOM 361 CB ILE A 21 10.251 2.327 -5.319 1.00 12.31 C ATOM 362 CG1 ILE A 21 9.172 2.040 -4.273 1.00 33.01 C ATOM 363 CG2 ILE A 21 10.962 1.044 -5.721 1.00 34.41 C ATOM 364 CD1 ILE A 21 8.279 3.227 -3.984 1.00 24.34 C ATOM 0 H ILE A 21 12.482 2.961 -6.436 1.00 32.42 H new ATOM 0 HA ILE A 21 10.734 4.269 -4.514 1.00 11.23 H new ATOM 0 HB ILE A 21 9.770 2.745 -6.204 1.00 12.31 H new ATOM 0 HG12 ILE A 21 8.557 1.208 -4.616 1.00 33.01 H new ATOM 0 HG13 ILE A 21 9.651 1.722 -3.347 1.00 33.01 H new ATOM 0 HG21 ILE A 21 10.234 0.329 -6.103 1.00 34.41 H new ATOM 0 HG22 ILE A 21 11.697 1.263 -6.496 1.00 34.41 H new ATOM 0 HG23 ILE A 21 11.466 0.620 -4.853 1.00 34.41 H new ATOM 0 HD11 ILE A 21 7.538 2.951 -3.234 1.00 24.34 H new ATOM 0 HD12 ILE A 21 8.883 4.054 -3.610 1.00 24.34 H new ATOM 0 HD13 ILE A 21 7.772 3.532 -4.899 1.00 24.34 H new ATOM 376 N GLU A 22 13.029 2.059 -3.733 1.00 1.42 N ATOM 377 CA GLU A 22 13.762 1.458 -2.625 1.00 63.11 C ATOM 378 C GLU A 22 14.160 2.515 -1.599 1.00 23.54 C ATOM 379 O GLU A 22 14.325 2.217 -0.415 1.00 75.33 O ATOM 380 CB GLU A 22 15.010 0.737 -3.141 1.00 55.33 C ATOM 381 CG GLU A 22 15.356 -0.517 -2.357 1.00 4.22 C ATOM 382 CD GLU A 22 15.194 -1.782 -3.177 1.00 52.30 C ATOM 383 OE1 GLU A 22 15.707 -1.820 -4.315 1.00 22.20 O ATOM 384 OE2 GLU A 22 14.554 -2.732 -2.682 1.00 34.52 O ATOM 0 H GLU A 22 13.430 1.876 -4.653 1.00 1.42 H new ATOM 0 HA GLU A 22 13.107 0.734 -2.140 1.00 63.11 H new ATOM 0 HB2 GLU A 22 14.859 0.471 -4.187 1.00 55.33 H new ATOM 0 HB3 GLU A 22 15.856 1.423 -3.105 1.00 55.33 H new ATOM 0 HG2 GLU A 22 16.385 -0.447 -2.003 1.00 4.22 H new ATOM 0 HG3 GLU A 22 14.719 -0.577 -1.475 1.00 4.22 H new ATOM 391 N LYS A 23 14.315 3.751 -2.060 1.00 75.13 N ATOM 392 CA LYS A 23 14.693 4.854 -1.185 1.00 34.45 C ATOM 393 C LYS A 23 13.567 5.186 -0.211 1.00 35.44 C ATOM 394 O LYS A 23 13.815 5.557 0.936 1.00 63.12 O ATOM 395 CB LYS A 23 15.047 6.091 -2.012 1.00 54.13 C ATOM 396 CG LYS A 23 16.541 6.312 -2.168 1.00 63.51 C ATOM 397 CD LYS A 23 16.854 7.738 -2.588 1.00 11.01 C ATOM 398 CE LYS A 23 17.419 7.793 -3.999 1.00 23.42 C ATOM 399 NZ LYS A 23 17.228 9.132 -4.622 1.00 33.43 N ATOM 0 H LYS A 23 14.184 4.014 -3.037 1.00 75.13 H new ATOM 0 HA LYS A 23 15.567 4.546 -0.612 1.00 34.45 H new ATOM 0 HB2 LYS A 23 14.597 5.998 -3.000 1.00 54.13 H new ATOM 0 HB3 LYS A 23 14.605 6.970 -1.542 1.00 54.13 H new ATOM 0 HG2 LYS A 23 17.042 6.091 -1.226 1.00 63.51 H new ATOM 0 HG3 LYS A 23 16.937 5.618 -2.910 1.00 63.51 H new ATOM 0 HD2 LYS A 23 15.948 8.341 -2.534 1.00 11.01 H new ATOM 0 HD3 LYS A 23 17.570 8.175 -1.891 1.00 11.01 H new ATOM 0 HE2 LYS A 23 18.482 7.553 -3.974 1.00 23.42 H new ATOM 0 HE3 LYS A 23 16.935 7.034 -4.614 1.00 23.42 H new ATOM 0 HZ1 LYS A 23 17.627 9.128 -5.583 1.00 33.43 H new ATOM 0 HZ2 LYS A 23 16.212 9.351 -4.669 1.00 33.43 H new ATOM 0 HZ3 LYS A 23 17.711 9.853 -4.050 1.00 33.43 H new ATOM 413 N GLU A 24 12.329 5.048 -0.675 1.00 35.40 N ATOM 414 CA GLU A 24 11.165 5.333 0.157 1.00 62.33 C ATOM 415 C GLU A 24 10.925 4.209 1.161 1.00 65.34 C ATOM 416 O GLU A 24 10.544 4.455 2.304 1.00 22.14 O ATOM 417 CB GLU A 24 9.923 5.527 -0.715 1.00 34.42 C ATOM 418 CG GLU A 24 9.065 6.709 -0.298 1.00 1.54 C ATOM 419 CD GLU A 24 7.661 6.300 0.104 1.00 25.41 C ATOM 420 OE1 GLU A 24 6.874 5.925 -0.789 1.00 55.22 O ATOM 421 OE2 GLU A 24 7.351 6.353 1.313 1.00 45.32 O ATOM 0 H GLU A 24 12.106 4.741 -1.622 1.00 35.40 H new ATOM 0 HA GLU A 24 11.361 6.253 0.708 1.00 62.33 H new ATOM 0 HB2 GLU A 24 10.234 5.662 -1.751 1.00 34.42 H new ATOM 0 HB3 GLU A 24 9.319 4.620 -0.679 1.00 34.42 H new ATOM 0 HG2 GLU A 24 9.542 7.223 0.536 1.00 1.54 H new ATOM 0 HG3 GLU A 24 9.010 7.421 -1.121 1.00 1.54 H new ATOM 428 N MET A 25 11.151 2.974 0.723 1.00 44.31 N ATOM 429 CA MET A 25 10.961 1.812 1.583 1.00 53.11 C ATOM 430 C MET A 25 11.772 1.947 2.867 1.00 1.45 C ATOM 431 O MET A 25 12.795 2.631 2.896 1.00 23.50 O ATOM 432 CB MET A 25 11.362 0.533 0.845 1.00 52.52 C ATOM 433 CG MET A 25 10.221 -0.103 0.068 1.00 51.02 C ATOM 434 SD MET A 25 9.253 -1.248 1.069 1.00 75.12 S ATOM 435 CE MET A 25 7.866 -0.210 1.525 1.00 71.13 C ATOM 0 H MET A 25 11.466 2.753 -0.222 1.00 44.31 H new ATOM 0 HA MET A 25 9.905 1.755 1.846 1.00 53.11 H new ATOM 0 HB2 MET A 25 12.177 0.760 0.157 1.00 52.52 H new ATOM 0 HB3 MET A 25 11.746 -0.188 1.567 1.00 52.52 H new ATOM 0 HG2 MET A 25 9.567 0.680 -0.316 1.00 51.02 H new ATOM 0 HG3 MET A 25 10.625 -0.633 -0.795 1.00 51.02 H new ATOM 0 HE1 MET A 25 7.109 -0.813 2.026 1.00 71.13 H new ATOM 0 HE2 MET A 25 8.206 0.577 2.198 1.00 71.13 H new ATOM 0 HE3 MET A 25 7.437 0.239 0.629 1.00 71.13 H new ATOM 445 N GLN A 26 11.308 1.293 3.927 1.00 62.40 N ATOM 446 CA GLN A 26 11.991 1.342 5.214 1.00 24.32 C ATOM 447 C GLN A 26 13.325 0.604 5.151 1.00 11.22 C ATOM 448 O GLN A 26 13.574 -0.203 4.255 1.00 11.14 O ATOM 449 CB GLN A 26 11.110 0.734 6.307 1.00 60.23 C ATOM 450 CG GLN A 26 10.506 1.766 7.245 1.00 34.31 C ATOM 451 CD GLN A 26 8.990 1.767 7.213 1.00 71.02 C ATOM 452 OE1 GLN A 26 8.380 2.039 6.178 1.00 33.54 O ATOM 453 NE2 GLN A 26 8.373 1.462 8.349 1.00 41.43 N ATOM 0 H GLN A 26 10.462 0.723 3.920 1.00 62.40 H new ATOM 0 HA GLN A 26 12.185 2.387 5.454 1.00 24.32 H new ATOM 0 HB2 GLN A 26 10.306 0.165 5.840 1.00 60.23 H new ATOM 0 HB3 GLN A 26 11.703 0.029 6.889 1.00 60.23 H new ATOM 0 HG2 GLN A 26 10.844 1.569 8.262 1.00 34.31 H new ATOM 0 HG3 GLN A 26 10.872 2.756 6.974 1.00 34.31 H new ATOM 0 HE21 GLN A 26 8.918 1.243 9.183 1.00 41.43 H new ATOM 0 HE22 GLN A 26 7.354 1.447 8.388 1.00 41.43 H new ATOM 462 N PRO A 27 14.204 0.887 6.124 1.00 63.52 N ATOM 463 CA PRO A 27 15.527 0.260 6.201 1.00 45.32 C ATOM 464 C PRO A 27 15.449 -1.218 6.566 1.00 12.04 C ATOM 465 O PRO A 27 16.460 -1.918 6.579 1.00 60.43 O ATOM 466 CB PRO A 27 16.229 1.049 7.310 1.00 70.34 C ATOM 467 CG PRO A 27 15.123 1.576 8.158 1.00 62.44 C ATOM 468 CD PRO A 27 13.974 1.838 7.224 1.00 43.34 C ATOM 0 HA PRO A 27 16.047 0.288 5.244 1.00 45.32 H new ATOM 0 HB2 PRO A 27 16.900 0.411 7.886 1.00 70.34 H new ATOM 0 HB3 PRO A 27 16.833 1.858 6.899 1.00 70.34 H new ATOM 0 HG2 PRO A 27 14.844 0.856 8.927 1.00 62.44 H new ATOM 0 HG3 PRO A 27 15.425 2.489 8.671 1.00 62.44 H new ATOM 0 HD2 PRO A 27 13.014 1.665 7.710 1.00 43.34 H new ATOM 0 HD3 PRO A 27 13.971 2.869 6.870 1.00 43.34 H new ATOM 476 N ASN A 28 14.241 -1.686 6.863 1.00 32.02 N ATOM 477 CA ASN A 28 14.031 -3.082 7.229 1.00 34.02 C ATOM 478 C ASN A 28 12.667 -3.571 6.750 1.00 42.21 C ATOM 479 O ASN A 28 12.012 -4.367 7.421 1.00 14.32 O ATOM 480 CB ASN A 28 14.143 -3.256 8.745 1.00 2.12 C ATOM 481 CG ASN A 28 14.904 -4.511 9.128 1.00 12.33 C ATOM 482 OD1 ASN A 28 15.875 -4.455 9.883 1.00 31.20 O ATOM 483 ND2 ASN A 28 14.465 -5.651 8.608 1.00 54.32 N ATOM 0 H ASN A 28 13.393 -1.119 6.857 1.00 32.02 H new ATOM 0 HA ASN A 28 14.803 -3.679 6.743 1.00 34.02 H new ATOM 0 HB2 ASN A 28 14.643 -2.387 9.172 1.00 2.12 H new ATOM 0 HB3 ASN A 28 13.144 -3.294 9.179 1.00 2.12 H new ATOM 0 HD21 ASN A 28 14.937 -6.528 8.830 1.00 54.32 H new ATOM 0 HD22 ASN A 28 13.656 -5.650 7.987 1.00 54.32 H new ATOM 490 N GLU A 29 12.248 -3.088 5.584 1.00 31.52 N ATOM 491 CA GLU A 29 10.962 -3.477 5.016 1.00 45.54 C ATOM 492 C GLU A 29 11.156 -4.329 3.765 1.00 51.23 C ATOM 493 O GLU A 29 12.239 -4.356 3.179 1.00 14.43 O ATOM 494 CB GLU A 29 10.134 -2.235 4.677 1.00 32.53 C ATOM 495 CG GLU A 29 8.965 -2.008 5.621 1.00 22.14 C ATOM 496 CD GLU A 29 7.774 -2.890 5.299 1.00 44.33 C ATOM 497 OE1 GLU A 29 7.142 -2.671 4.245 1.00 53.13 O ATOM 498 OE2 GLU A 29 7.476 -3.799 6.101 1.00 73.10 O ATOM 0 H GLU A 29 12.779 -2.428 5.016 1.00 31.52 H new ATOM 0 HA GLU A 29 10.429 -4.070 5.759 1.00 45.54 H new ATOM 0 HB2 GLU A 29 10.783 -1.359 4.698 1.00 32.53 H new ATOM 0 HB3 GLU A 29 9.756 -2.327 3.659 1.00 32.53 H new ATOM 0 HG2 GLU A 29 9.287 -2.199 6.645 1.00 22.14 H new ATOM 0 HG3 GLU A 29 8.661 -0.962 5.572 1.00 22.14 H new ATOM 505 N VAL A 30 10.098 -5.025 3.361 1.00 61.13 N ATOM 506 CA VAL A 30 10.150 -5.878 2.180 1.00 60.35 C ATOM 507 C VAL A 30 9.609 -5.152 0.953 1.00 62.31 C ATOM 508 O VAL A 30 8.676 -4.357 1.051 1.00 13.44 O ATOM 509 CB VAL A 30 9.348 -7.176 2.389 1.00 20.52 C ATOM 510 CG1 VAL A 30 7.902 -6.860 2.740 1.00 22.34 C ATOM 511 CG2 VAL A 30 9.424 -8.055 1.150 1.00 63.32 C ATOM 0 H VAL A 30 9.195 -5.015 3.834 1.00 61.13 H new ATOM 0 HA VAL A 30 11.198 -6.129 2.018 1.00 60.35 H new ATOM 0 HB VAL A 30 9.788 -7.724 3.222 1.00 20.52 H new ATOM 0 HG11 VAL A 30 7.351 -7.789 2.884 1.00 22.34 H new ATOM 0 HG12 VAL A 30 7.870 -6.273 3.658 1.00 22.34 H new ATOM 0 HG13 VAL A 30 7.447 -6.290 1.930 1.00 22.34 H new ATOM 0 HG21 VAL A 30 8.852 -8.968 1.316 1.00 63.32 H new ATOM 0 HG22 VAL A 30 9.011 -7.517 0.297 1.00 63.32 H new ATOM 0 HG23 VAL A 30 10.464 -8.311 0.949 1.00 63.32 H new ATOM 521 N ALA A 31 10.202 -5.432 -0.203 1.00 62.50 N ATOM 522 CA ALA A 31 9.778 -4.808 -1.450 1.00 65.11 C ATOM 523 C ALA A 31 9.615 -5.846 -2.556 1.00 14.45 C ATOM 524 O ALA A 31 10.592 -6.442 -3.010 1.00 14.32 O ATOM 525 CB ALA A 31 10.776 -3.739 -1.871 1.00 20.03 C ATOM 0 H ALA A 31 10.978 -6.087 -0.302 1.00 62.50 H new ATOM 0 HA ALA A 31 8.809 -4.339 -1.281 1.00 65.11 H new ATOM 0 HB1 ALA A 31 10.447 -3.281 -2.804 1.00 20.03 H new ATOM 0 HB2 ALA A 31 10.841 -2.976 -1.095 1.00 20.03 H new ATOM 0 HB3 ALA A 31 11.756 -4.193 -2.016 1.00 20.03 H new ATOM 531 N ILE A 32 8.374 -6.057 -2.983 1.00 44.21 N ATOM 532 CA ILE A 32 8.084 -7.022 -4.036 1.00 31.43 C ATOM 533 C ILE A 32 8.092 -6.358 -5.408 1.00 70.44 C ATOM 534 O ILE A 32 7.203 -5.572 -5.735 1.00 35.21 O ATOM 535 CB ILE A 32 6.720 -7.702 -3.815 1.00 32.51 C ATOM 536 CG1 ILE A 32 6.843 -8.815 -2.772 1.00 61.41 C ATOM 537 CG2 ILE A 32 6.185 -8.256 -5.127 1.00 42.24 C ATOM 538 CD1 ILE A 32 5.815 -8.724 -1.666 1.00 41.12 C ATOM 0 H ILE A 32 7.554 -5.573 -2.616 1.00 44.21 H new ATOM 0 HA ILE A 32 8.869 -7.778 -3.997 1.00 31.43 H new ATOM 0 HB ILE A 32 6.016 -6.957 -3.443 1.00 32.51 H new ATOM 0 HG12 ILE A 32 6.745 -9.780 -3.269 1.00 61.41 H new ATOM 0 HG13 ILE A 32 7.840 -8.782 -2.333 1.00 61.41 H new ATOM 0 HG21 ILE A 32 5.221 -8.733 -4.954 1.00 42.24 H new ATOM 0 HG22 ILE A 32 6.064 -7.443 -5.843 1.00 42.24 H new ATOM 0 HG23 ILE A 32 6.886 -8.989 -5.525 1.00 42.24 H new ATOM 0 HD11 ILE A 32 5.963 -9.544 -0.964 1.00 41.12 H new ATOM 0 HD12 ILE A 32 5.926 -7.774 -1.143 1.00 41.12 H new ATOM 0 HD13 ILE A 32 4.814 -8.788 -2.093 1.00 41.12 H new ATOM 550 N PHE A 33 9.102 -6.681 -6.210 1.00 34.42 N ATOM 551 CA PHE A 33 9.226 -6.117 -7.549 1.00 15.03 C ATOM 552 C PHE A 33 8.809 -7.133 -8.608 1.00 60.20 C ATOM 553 O PHE A 33 9.555 -8.061 -8.921 1.00 1.43 O ATOM 554 CB PHE A 33 10.664 -5.660 -7.802 1.00 32.34 C ATOM 555 CG PHE A 33 11.212 -4.777 -6.717 1.00 54.03 C ATOM 556 CD1 PHE A 33 10.425 -3.789 -6.147 1.00 42.11 C ATOM 557 CD2 PHE A 33 12.513 -4.935 -6.268 1.00 33.01 C ATOM 558 CE1 PHE A 33 10.927 -2.974 -5.150 1.00 22.32 C ATOM 559 CE2 PHE A 33 13.020 -4.124 -5.270 1.00 40.45 C ATOM 560 CZ PHE A 33 12.226 -3.143 -4.710 1.00 53.41 C ATOM 0 H PHE A 33 9.846 -7.330 -5.956 1.00 34.42 H new ATOM 0 HA PHE A 33 8.562 -5.256 -7.616 1.00 15.03 H new ATOM 0 HB2 PHE A 33 11.303 -6.537 -7.903 1.00 32.34 H new ATOM 0 HB3 PHE A 33 10.705 -5.125 -8.751 1.00 32.34 H new ATOM 0 HD1 PHE A 33 9.408 -3.654 -6.486 1.00 42.11 H new ATOM 0 HD2 PHE A 33 13.138 -5.701 -6.703 1.00 33.01 H new ATOM 0 HE1 PHE A 33 10.305 -2.206 -4.715 1.00 22.32 H new ATOM 0 HE2 PHE A 33 14.036 -4.258 -4.929 1.00 40.45 H new ATOM 0 HZ PHE A 33 12.620 -2.509 -3.929 1.00 53.41 H new ATOM 570 N MET A 34 7.612 -6.951 -9.156 1.00 30.11 N ATOM 571 CA MET A 34 7.096 -7.851 -10.180 1.00 71.35 C ATOM 572 C MET A 34 7.688 -7.517 -11.546 1.00 20.30 C ATOM 573 O MET A 34 7.667 -6.364 -11.978 1.00 34.53 O ATOM 574 CB MET A 34 5.569 -7.769 -10.240 1.00 24.53 C ATOM 575 CG MET A 34 4.899 -9.106 -10.513 1.00 22.21 C ATOM 576 SD MET A 34 4.235 -9.868 -9.020 1.00 32.11 S ATOM 577 CE MET A 34 3.072 -8.614 -8.489 1.00 34.03 C ATOM 0 H MET A 34 6.982 -6.189 -8.908 1.00 30.11 H new ATOM 0 HA MET A 34 7.388 -8.867 -9.915 1.00 71.35 H new ATOM 0 HB2 MET A 34 5.197 -7.372 -9.296 1.00 24.53 H new ATOM 0 HB3 MET A 34 5.282 -7.062 -11.018 1.00 24.53 H new ATOM 0 HG2 MET A 34 4.093 -8.964 -11.233 1.00 22.21 H new ATOM 0 HG3 MET A 34 5.620 -9.782 -10.972 1.00 22.21 H new ATOM 0 HE1 MET A 34 2.227 -9.089 -7.991 1.00 34.03 H new ATOM 0 HE2 MET A 34 3.564 -7.931 -7.796 1.00 34.03 H new ATOM 0 HE3 MET A 34 2.716 -8.057 -9.356 1.00 34.03 H new ATOM 587 N PHE A 35 8.216 -8.533 -12.221 1.00 44.43 N ATOM 588 CA PHE A 35 8.816 -8.346 -13.538 1.00 13.15 C ATOM 589 C PHE A 35 8.455 -9.500 -14.468 1.00 23.31 C ATOM 590 O PHE A 35 8.378 -10.652 -14.042 1.00 73.34 O ATOM 591 CB PHE A 35 10.337 -8.229 -13.417 1.00 14.11 C ATOM 592 CG PHE A 35 11.008 -9.516 -13.033 1.00 22.21 C ATOM 593 CD1 PHE A 35 10.735 -10.119 -11.816 1.00 31.42 C ATOM 594 CD2 PHE A 35 11.913 -10.123 -13.889 1.00 4.13 C ATOM 595 CE1 PHE A 35 11.351 -11.304 -11.459 1.00 60.34 C ATOM 596 CE2 PHE A 35 12.532 -11.308 -13.538 1.00 1.10 C ATOM 597 CZ PHE A 35 12.252 -11.899 -12.321 1.00 54.34 C ATOM 0 H PHE A 35 8.241 -9.493 -11.878 1.00 44.43 H new ATOM 0 HA PHE A 35 8.421 -7.423 -13.963 1.00 13.15 H new ATOM 0 HB2 PHE A 35 10.744 -7.886 -14.368 1.00 14.11 H new ATOM 0 HB3 PHE A 35 10.577 -7.468 -12.675 1.00 14.11 H new ATOM 0 HD1 PHE A 35 10.032 -9.658 -11.138 1.00 31.42 H new ATOM 0 HD2 PHE A 35 12.137 -9.665 -14.841 1.00 4.13 H new ATOM 0 HE1 PHE A 35 11.128 -11.764 -10.508 1.00 60.34 H new ATOM 0 HE2 PHE A 35 13.234 -11.772 -14.215 1.00 1.10 H new ATOM 0 HZ PHE A 35 12.736 -12.824 -12.044 1.00 54.34 H new ATOM 607 N GLU A 36 8.236 -9.181 -15.740 1.00 32.33 N ATOM 608 CA GLU A 36 7.882 -10.192 -16.730 1.00 2.41 C ATOM 609 C GLU A 36 8.652 -9.973 -18.029 1.00 53.43 C ATOM 610 O GLU A 36 8.357 -10.594 -19.051 1.00 3.14 O ATOM 611 CB GLU A 36 6.377 -10.164 -17.005 1.00 2.54 C ATOM 612 CG GLU A 36 5.955 -9.067 -17.968 1.00 73.53 C ATOM 613 CD GLU A 36 5.787 -9.572 -19.388 1.00 74.14 C ATOM 614 OE1 GLU A 36 5.844 -10.803 -19.590 1.00 62.34 O ATOM 615 OE2 GLU A 36 5.598 -8.737 -20.297 1.00 51.20 O ATOM 0 H GLU A 36 8.297 -8.232 -16.109 1.00 32.33 H new ATOM 0 HA GLU A 36 8.152 -11.168 -16.328 1.00 2.41 H new ATOM 0 HB2 GLU A 36 6.072 -11.129 -17.410 1.00 2.54 H new ATOM 0 HB3 GLU A 36 5.846 -10.032 -16.062 1.00 2.54 H new ATOM 0 HG2 GLU A 36 5.016 -8.631 -17.628 1.00 73.53 H new ATOM 0 HG3 GLU A 36 6.699 -8.271 -17.955 1.00 73.53 H new ATOM 622 N VAL A 37 9.639 -9.084 -17.983 1.00 1.11 N ATOM 623 CA VAL A 37 10.452 -8.782 -19.155 1.00 71.32 C ATOM 624 C VAL A 37 11.854 -8.341 -18.753 1.00 4.54 C ATOM 625 O VAL A 37 12.075 -7.885 -17.631 1.00 64.42 O ATOM 626 CB VAL A 37 9.806 -7.681 -20.017 1.00 65.34 C ATOM 627 CG1 VAL A 37 10.675 -7.373 -21.228 1.00 13.13 C ATOM 628 CG2 VAL A 37 8.406 -8.093 -20.446 1.00 64.35 C ATOM 0 H VAL A 37 9.895 -8.560 -17.146 1.00 1.11 H new ATOM 0 HA VAL A 37 10.517 -9.700 -19.740 1.00 71.32 H new ATOM 0 HB VAL A 37 9.725 -6.774 -19.417 1.00 65.34 H new ATOM 0 HG11 VAL A 37 10.203 -6.593 -21.826 1.00 13.13 H new ATOM 0 HG12 VAL A 37 11.655 -7.032 -20.895 1.00 13.13 H new ATOM 0 HG13 VAL A 37 10.790 -8.273 -21.832 1.00 13.13 H new ATOM 0 HG21 VAL A 37 7.965 -7.303 -21.054 1.00 64.35 H new ATOM 0 HG22 VAL A 37 8.460 -9.013 -21.029 1.00 64.35 H new ATOM 0 HG23 VAL A 37 7.789 -8.259 -19.563 1.00 64.35 H new ATOM 638 N GLY A 38 12.801 -8.478 -19.677 1.00 15.22 N ATOM 639 CA GLY A 38 14.171 -8.088 -19.399 1.00 74.04 C ATOM 640 C GLY A 38 14.946 -9.171 -18.675 1.00 41.42 C ATOM 641 O GLY A 38 14.380 -10.189 -18.278 1.00 12.13 O ATOM 0 H GLY A 38 12.644 -8.852 -20.613 1.00 15.22 H new ATOM 0 HA2 GLY A 38 14.675 -7.849 -20.336 1.00 74.04 H new ATOM 0 HA3 GLY A 38 14.172 -7.180 -18.796 1.00 74.04 H new ATOM 645 N ASP A 39 16.245 -8.952 -18.505 1.00 2.13 N ATOM 646 CA ASP A 39 17.100 -9.917 -17.824 1.00 62.40 C ATOM 647 C ASP A 39 16.595 -10.189 -16.410 1.00 43.33 C ATOM 648 O ASP A 39 16.044 -9.303 -15.756 1.00 60.22 O ATOM 649 CB ASP A 39 18.542 -9.409 -17.775 1.00 52.22 C ATOM 650 CG ASP A 39 19.181 -9.349 -19.148 1.00 45.14 C ATOM 651 OD1 ASP A 39 19.014 -10.314 -19.923 1.00 51.31 O ATOM 652 OD2 ASP A 39 19.850 -8.338 -19.448 1.00 44.51 O ATOM 0 H ASP A 39 16.729 -8.115 -18.829 1.00 2.13 H new ATOM 0 HA ASP A 39 17.071 -10.850 -18.386 1.00 62.40 H new ATOM 0 HB2 ASP A 39 18.559 -8.416 -17.326 1.00 52.22 H new ATOM 0 HB3 ASP A 39 19.132 -10.061 -17.131 1.00 52.22 H new ATOM 657 N PHE A 40 16.786 -11.419 -15.945 1.00 42.21 N ATOM 658 CA PHE A 40 16.348 -11.808 -14.610 1.00 3.33 C ATOM 659 C PHE A 40 17.457 -11.581 -13.586 1.00 61.02 C ATOM 660 O PHE A 40 17.195 -11.204 -12.444 1.00 51.01 O ATOM 661 CB PHE A 40 15.920 -13.277 -14.598 1.00 3.42 C ATOM 662 CG PHE A 40 15.989 -13.932 -15.948 1.00 13.14 C ATOM 663 CD1 PHE A 40 17.148 -14.565 -16.367 1.00 55.01 C ATOM 664 CD2 PHE A 40 14.894 -13.914 -16.797 1.00 63.21 C ATOM 665 CE1 PHE A 40 17.214 -15.169 -17.608 1.00 72.34 C ATOM 666 CE2 PHE A 40 14.954 -14.517 -18.039 1.00 65.13 C ATOM 667 CZ PHE A 40 16.116 -15.144 -18.446 1.00 30.30 C ATOM 0 H PHE A 40 17.241 -12.163 -16.473 1.00 42.21 H new ATOM 0 HA PHE A 40 15.495 -11.186 -14.339 1.00 3.33 H new ATOM 0 HB2 PHE A 40 16.555 -13.827 -13.903 1.00 3.42 H new ATOM 0 HB3 PHE A 40 14.900 -13.347 -14.221 1.00 3.42 H new ATOM 0 HD1 PHE A 40 18.010 -14.587 -15.716 1.00 55.01 H new ATOM 0 HD2 PHE A 40 13.984 -13.423 -16.485 1.00 63.21 H new ATOM 0 HE1 PHE A 40 18.123 -15.660 -17.923 1.00 72.34 H new ATOM 0 HE2 PHE A 40 14.093 -14.498 -18.691 1.00 65.13 H new ATOM 0 HZ PHE A 40 16.166 -15.614 -19.417 1.00 30.30 H new ATOM 677 N SER A 41 18.697 -11.814 -14.004 1.00 60.45 N ATOM 678 CA SER A 41 19.846 -11.640 -13.124 1.00 23.41 C ATOM 679 C SER A 41 19.995 -10.180 -12.707 1.00 31.42 C ATOM 680 O SER A 41 20.718 -9.864 -11.764 1.00 5.33 O ATOM 681 CB SER A 41 21.124 -12.117 -13.818 1.00 12.03 C ATOM 682 OG SER A 41 21.846 -11.026 -14.362 1.00 51.01 O ATOM 0 H SER A 41 18.931 -12.124 -14.947 1.00 60.45 H new ATOM 0 HA SER A 41 19.681 -12.240 -12.229 1.00 23.41 H new ATOM 0 HB2 SER A 41 21.751 -12.653 -13.105 1.00 12.03 H new ATOM 0 HB3 SER A 41 20.870 -12.821 -14.611 1.00 12.03 H new ATOM 0 HG SER A 41 22.659 -11.357 -14.798 1.00 51.01 H new ATOM 688 N ASN A 42 19.304 -9.295 -13.418 1.00 33.24 N ATOM 689 CA ASN A 42 19.358 -7.868 -13.123 1.00 24.04 C ATOM 690 C ASN A 42 18.491 -7.529 -11.914 1.00 53.45 C ATOM 691 O ASN A 42 18.718 -6.526 -11.236 1.00 61.23 O ATOM 692 CB ASN A 42 18.901 -7.057 -14.337 1.00 23.11 C ATOM 693 CG ASN A 42 20.048 -6.329 -15.011 1.00 2.34 C ATOM 694 OD1 ASN A 42 20.009 -5.110 -15.182 1.00 73.34 O ATOM 695 ND2 ASN A 42 21.077 -7.074 -15.396 1.00 63.11 N ATOM 0 H ASN A 42 18.700 -9.541 -14.202 1.00 33.24 H new ATOM 0 HA ASN A 42 20.391 -7.609 -12.890 1.00 24.04 H new ATOM 0 HB2 ASN A 42 18.424 -7.723 -15.056 1.00 23.11 H new ATOM 0 HB3 ASN A 42 18.148 -6.333 -14.025 1.00 23.11 H new ATOM 0 HD21 ASN A 42 21.878 -6.639 -15.854 1.00 63.11 H new ATOM 0 HD22 ASN A 42 21.066 -8.081 -15.234 1.00 63.11 H new ATOM 702 N ILE A 43 17.497 -8.370 -11.652 1.00 31.44 N ATOM 703 CA ILE A 43 16.597 -8.161 -10.525 1.00 14.43 C ATOM 704 C ILE A 43 17.375 -7.860 -9.248 1.00 35.30 C ATOM 705 O ILE A 43 17.189 -6.826 -8.607 1.00 50.42 O ATOM 706 CB ILE A 43 15.696 -9.387 -10.287 1.00 62.43 C ATOM 707 CG1 ILE A 43 14.455 -9.317 -11.180 1.00 3.24 C ATOM 708 CG2 ILE A 43 15.297 -9.476 -8.822 1.00 3.01 C ATOM 709 CD1 ILE A 43 13.457 -8.268 -10.744 1.00 14.41 C ATOM 0 H ILE A 43 17.294 -9.203 -12.205 1.00 31.44 H new ATOM 0 HA ILE A 43 15.971 -7.305 -10.777 1.00 14.43 H new ATOM 0 HB ILE A 43 16.256 -10.286 -10.545 1.00 62.43 H new ATOM 0 HG12 ILE A 43 14.765 -9.109 -12.204 1.00 3.24 H new ATOM 0 HG13 ILE A 43 13.966 -10.291 -11.187 1.00 3.24 H new ATOM 0 HG21 ILE A 43 14.660 -10.348 -8.671 1.00 3.01 H new ATOM 0 HG22 ILE A 43 16.192 -9.569 -8.206 1.00 3.01 H new ATOM 0 HG23 ILE A 43 14.753 -8.575 -8.538 1.00 3.01 H new ATOM 0 HD11 ILE A 43 12.603 -8.274 -11.422 1.00 14.41 H new ATOM 0 HD12 ILE A 43 13.118 -8.487 -9.731 1.00 14.41 H new ATOM 0 HD13 ILE A 43 13.929 -7.286 -10.764 1.00 14.41 H new ATOM 721 N PRO A 44 18.269 -8.785 -8.869 1.00 30.22 N ATOM 722 CA PRO A 44 19.096 -8.641 -7.667 1.00 34.12 C ATOM 723 C PRO A 44 20.145 -7.545 -7.813 1.00 40.40 C ATOM 724 O PRO A 44 20.669 -7.035 -6.822 1.00 35.42 O ATOM 725 CB PRO A 44 19.767 -10.010 -7.532 1.00 45.12 C ATOM 726 CG PRO A 44 19.786 -10.561 -8.916 1.00 40.53 C ATOM 727 CD PRO A 44 18.543 -10.043 -9.585 1.00 14.43 C ATOM 0 HA PRO A 44 18.505 -8.354 -6.798 1.00 34.12 H new ATOM 0 HB2 PRO A 44 20.775 -9.918 -7.129 1.00 45.12 H new ATOM 0 HB3 PRO A 44 19.211 -10.659 -6.855 1.00 45.12 H new ATOM 0 HG2 PRO A 44 20.680 -10.241 -9.451 1.00 40.53 H new ATOM 0 HG3 PRO A 44 19.796 -11.651 -8.902 1.00 40.53 H new ATOM 0 HD2 PRO A 44 18.701 -9.873 -10.650 1.00 14.43 H new ATOM 0 HD3 PRO A 44 17.715 -10.746 -9.494 1.00 14.43 H new ATOM 735 N LYS A 45 20.448 -7.184 -9.055 1.00 64.35 N ATOM 736 CA LYS A 45 21.434 -6.146 -9.333 1.00 24.55 C ATOM 737 C LYS A 45 20.906 -4.773 -8.930 1.00 64.15 C ATOM 738 O LYS A 45 21.680 -3.860 -8.643 1.00 21.03 O ATOM 739 CB LYS A 45 21.803 -6.148 -10.818 1.00 22.02 C ATOM 740 CG LYS A 45 23.277 -5.888 -11.079 1.00 33.01 C ATOM 741 CD LYS A 45 23.477 -4.725 -12.036 1.00 13.44 C ATOM 742 CE LYS A 45 24.871 -4.736 -12.643 1.00 71.24 C ATOM 743 NZ LYS A 45 24.904 -5.466 -13.941 1.00 42.43 N ATOM 0 H LYS A 45 20.024 -7.596 -9.887 1.00 64.35 H new ATOM 0 HA LYS A 45 22.326 -6.360 -8.744 1.00 24.55 H new ATOM 0 HB2 LYS A 45 21.530 -7.111 -11.250 1.00 22.02 H new ATOM 0 HB3 LYS A 45 21.212 -5.389 -11.332 1.00 22.02 H new ATOM 0 HG2 LYS A 45 23.782 -5.676 -10.137 1.00 33.01 H new ATOM 0 HG3 LYS A 45 23.738 -6.785 -11.493 1.00 33.01 H new ATOM 0 HD2 LYS A 45 22.733 -4.774 -12.831 1.00 13.44 H new ATOM 0 HD3 LYS A 45 23.317 -3.786 -11.507 1.00 13.44 H new ATOM 0 HE2 LYS A 45 25.210 -3.711 -12.794 1.00 71.24 H new ATOM 0 HE3 LYS A 45 25.567 -5.202 -11.946 1.00 71.24 H new ATOM 0 HZ1 LYS A 45 25.871 -5.451 -14.323 1.00 42.43 H new ATOM 0 HZ2 LYS A 45 24.605 -6.451 -13.793 1.00 42.43 H new ATOM 0 HZ3 LYS A 45 24.259 -5.006 -14.615 1.00 42.43 H new ATOM 757 N SER A 46 19.585 -4.635 -8.912 1.00 15.54 N ATOM 758 CA SER A 46 18.953 -3.372 -8.547 1.00 5.42 C ATOM 759 C SER A 46 19.110 -3.097 -7.054 1.00 61.22 C ATOM 760 O SER A 46 19.610 -2.046 -6.654 1.00 72.13 O ATOM 761 CB SER A 46 17.470 -3.392 -8.920 1.00 50.11 C ATOM 762 OG SER A 46 17.198 -4.402 -9.876 1.00 24.32 O ATOM 0 H SER A 46 18.931 -5.382 -9.146 1.00 15.54 H new ATOM 0 HA SER A 46 19.448 -2.574 -9.100 1.00 5.42 H new ATOM 0 HB2 SER A 46 16.869 -3.562 -8.026 1.00 50.11 H new ATOM 0 HB3 SER A 46 17.179 -2.421 -9.320 1.00 50.11 H new ATOM 0 HG SER A 46 17.051 -5.256 -9.417 1.00 24.32 H new ATOM 768 N ALA A 47 18.679 -4.051 -6.235 1.00 60.02 N ATOM 769 CA ALA A 47 18.773 -3.914 -4.787 1.00 73.31 C ATOM 770 C ALA A 47 20.210 -3.649 -4.352 1.00 40.05 C ATOM 771 O ALA A 47 20.450 -3.037 -3.312 1.00 61.41 O ATOM 772 CB ALA A 47 18.234 -5.162 -4.103 1.00 63.32 C ATOM 0 H ALA A 47 18.261 -4.927 -6.550 1.00 60.02 H new ATOM 0 HA ALA A 47 18.168 -3.058 -4.488 1.00 73.31 H new ATOM 0 HB1 ALA A 47 18.310 -5.046 -3.022 1.00 63.32 H new ATOM 0 HB2 ALA A 47 17.190 -5.306 -4.380 1.00 63.32 H new ATOM 0 HB3 ALA A 47 18.816 -6.029 -4.417 1.00 63.32 H new ATOM 778 N GLU A 48 21.162 -4.114 -5.156 1.00 12.21 N ATOM 779 CA GLU A 48 22.576 -3.927 -4.852 1.00 34.12 C ATOM 780 C GLU A 48 23.006 -2.489 -5.127 1.00 21.21 C ATOM 781 O GLU A 48 23.922 -1.970 -4.488 1.00 34.32 O ATOM 782 CB GLU A 48 23.429 -4.893 -5.676 1.00 62.20 C ATOM 783 CG GLU A 48 24.866 -4.998 -5.194 1.00 65.34 C ATOM 784 CD GLU A 48 25.810 -4.103 -5.974 1.00 60.22 C ATOM 785 OE1 GLU A 48 25.839 -4.211 -7.218 1.00 24.53 O ATOM 786 OE2 GLU A 48 26.519 -3.294 -5.340 1.00 20.02 O ATOM 0 H GLU A 48 20.980 -4.622 -6.021 1.00 12.21 H new ATOM 0 HA GLU A 48 22.725 -4.136 -3.793 1.00 34.12 H new ATOM 0 HB2 GLU A 48 22.972 -5.882 -5.648 1.00 62.20 H new ATOM 0 HB3 GLU A 48 23.426 -4.570 -6.717 1.00 62.20 H new ATOM 0 HG2 GLU A 48 24.911 -4.734 -4.137 1.00 65.34 H new ATOM 0 HG3 GLU A 48 25.199 -6.032 -5.279 1.00 65.34 H new ATOM 793 N PHE A 49 22.340 -1.851 -6.083 1.00 55.11 N ATOM 794 CA PHE A 49 22.653 -0.474 -6.445 1.00 2.40 C ATOM 795 C PHE A 49 22.555 0.444 -5.230 1.00 24.24 C ATOM 796 O PHE A 49 23.184 1.502 -5.185 1.00 55.04 O ATOM 797 CB PHE A 49 21.708 0.015 -7.544 1.00 50.24 C ATOM 798 CG PHE A 49 22.418 0.634 -8.714 1.00 63.44 C ATOM 799 CD1 PHE A 49 22.839 1.953 -8.668 1.00 20.01 C ATOM 800 CD2 PHE A 49 22.666 -0.104 -9.861 1.00 33.54 C ATOM 801 CE1 PHE A 49 23.492 2.525 -9.743 1.00 61.55 C ATOM 802 CE2 PHE A 49 23.319 0.462 -10.939 1.00 72.43 C ATOM 803 CZ PHE A 49 23.733 1.778 -10.880 1.00 64.30 C ATOM 0 H PHE A 49 21.580 -2.266 -6.621 1.00 55.11 H new ATOM 0 HA PHE A 49 23.677 -0.447 -6.817 1.00 2.40 H new ATOM 0 HB2 PHE A 49 21.108 -0.824 -7.896 1.00 50.24 H new ATOM 0 HB3 PHE A 49 21.018 0.745 -7.120 1.00 50.24 H new ATOM 0 HD1 PHE A 49 22.655 2.541 -7.781 1.00 20.01 H new ATOM 0 HD2 PHE A 49 22.345 -1.134 -9.913 1.00 33.54 H new ATOM 0 HE1 PHE A 49 23.814 3.555 -9.695 1.00 61.55 H new ATOM 0 HE2 PHE A 49 23.505 -0.124 -11.827 1.00 72.43 H new ATOM 0 HZ PHE A 49 24.244 2.223 -11.721 1.00 64.30 H new ATOM 813 N ILE A 50 21.763 0.030 -4.246 1.00 42.52 N ATOM 814 CA ILE A 50 21.583 0.814 -3.030 1.00 43.03 C ATOM 815 C ILE A 50 22.786 0.675 -2.104 1.00 4.22 C ATOM 816 O ILE A 50 23.437 1.663 -1.764 1.00 63.04 O ATOM 817 CB ILE A 50 20.313 0.390 -2.270 1.00 54.13 C ATOM 818 CG1 ILE A 50 19.092 0.472 -3.189 1.00 15.24 C ATOM 819 CG2 ILE A 50 20.116 1.262 -1.039 1.00 50.33 C ATOM 820 CD1 ILE A 50 18.750 1.883 -3.615 1.00 60.32 C ATOM 0 H ILE A 50 21.236 -0.843 -4.267 1.00 42.52 H new ATOM 0 HA ILE A 50 21.482 1.855 -3.337 1.00 43.03 H new ATOM 0 HB ILE A 50 20.430 -0.643 -1.944 1.00 54.13 H new ATOM 0 HG12 ILE A 50 19.275 -0.133 -4.077 1.00 15.24 H new ATOM 0 HG13 ILE A 50 18.233 0.037 -2.678 1.00 15.24 H new ATOM 0 HG21 ILE A 50 19.214 0.950 -0.513 1.00 50.33 H new ATOM 0 HG22 ILE A 50 20.976 1.158 -0.378 1.00 50.33 H new ATOM 0 HG23 ILE A 50 20.016 2.304 -1.343 1.00 50.33 H new ATOM 0 HD11 ILE A 50 17.875 1.865 -4.264 1.00 60.32 H new ATOM 0 HD12 ILE A 50 18.535 2.487 -2.734 1.00 60.32 H new ATOM 0 HD13 ILE A 50 19.593 2.315 -4.154 1.00 60.32 H new ATOM 832 N GLN A 51 23.076 -0.557 -1.700 1.00 63.40 N ATOM 833 CA GLN A 51 24.203 -0.825 -0.813 1.00 75.34 C ATOM 834 C GLN A 51 24.749 -2.231 -1.038 1.00 24.35 C ATOM 835 O GLN A 51 24.004 -3.210 -1.006 1.00 73.23 O ATOM 836 CB GLN A 51 23.780 -0.656 0.647 1.00 25.21 C ATOM 837 CG GLN A 51 24.709 0.242 1.449 1.00 70.24 C ATOM 838 CD GLN A 51 25.718 -0.542 2.264 1.00 1.14 C ATOM 839 OE1 GLN A 51 25.442 -0.944 3.395 1.00 11.42 O ATOM 840 NE2 GLN A 51 26.896 -0.764 1.694 1.00 65.10 N ATOM 0 H GLN A 51 22.547 -1.386 -1.972 1.00 63.40 H new ATOM 0 HA GLN A 51 24.992 -0.108 -1.040 1.00 75.34 H new ATOM 0 HB2 GLN A 51 22.772 -0.243 0.679 1.00 25.21 H new ATOM 0 HB3 GLN A 51 23.738 -1.637 1.120 1.00 25.21 H new ATOM 0 HG2 GLN A 51 25.237 0.911 0.770 1.00 70.24 H new ATOM 0 HG3 GLN A 51 24.116 0.868 2.116 1.00 70.24 H new ATOM 0 HE21 GLN A 51 27.082 -0.413 0.755 1.00 65.10 H new ATOM 0 HE22 GLN A 51 27.615 -1.286 2.195 1.00 65.10 H new ATOM 849 N SER A 52 26.056 -2.324 -1.264 1.00 11.31 N ATOM 850 CA SER A 52 26.702 -3.610 -1.498 1.00 1.24 C ATOM 851 C SER A 52 26.342 -4.606 -0.399 1.00 44.04 C ATOM 852 O SER A 52 26.197 -5.802 -0.653 1.00 30.03 O ATOM 853 CB SER A 52 28.221 -3.436 -1.567 1.00 75.31 C ATOM 854 OG SER A 52 28.839 -4.581 -2.129 1.00 44.53 O ATOM 0 H SER A 52 26.688 -1.524 -1.290 1.00 11.31 H new ATOM 0 HA SER A 52 26.345 -4.001 -2.451 1.00 1.24 H new ATOM 0 HB2 SER A 52 28.463 -2.557 -2.165 1.00 75.31 H new ATOM 0 HB3 SER A 52 28.616 -3.259 -0.567 1.00 75.31 H new ATOM 0 HG SER A 52 29.809 -4.445 -2.164 1.00 44.53 H new ATOM 860 N LYS A 53 26.200 -4.104 0.823 1.00 43.15 N ATOM 861 CA LYS A 53 25.857 -4.947 1.961 1.00 15.04 C ATOM 862 C LYS A 53 24.559 -4.479 2.612 1.00 33.34 C ATOM 863 O LYS A 53 24.464 -3.349 3.088 1.00 53.42 O ATOM 864 CB LYS A 53 26.989 -4.936 2.991 1.00 52.41 C ATOM 865 CG LYS A 53 27.361 -3.543 3.470 1.00 31.34 C ATOM 866 CD LYS A 53 27.236 -3.422 4.980 1.00 45.31 C ATOM 867 CE LYS A 53 28.284 -2.479 5.551 1.00 2.44 C ATOM 868 NZ LYS A 53 28.457 -2.665 7.019 1.00 53.13 N ATOM 0 H LYS A 53 26.317 -3.117 1.050 1.00 43.15 H new ATOM 0 HA LYS A 53 25.715 -5.965 1.598 1.00 15.04 H new ATOM 0 HB2 LYS A 53 26.694 -5.540 3.849 1.00 52.41 H new ATOM 0 HB3 LYS A 53 27.869 -5.409 2.556 1.00 52.41 H new ATOM 0 HG2 LYS A 53 28.383 -3.314 3.169 1.00 31.34 H new ATOM 0 HG3 LYS A 53 26.715 -2.807 2.990 1.00 31.34 H new ATOM 0 HD2 LYS A 53 26.240 -3.060 5.236 1.00 45.31 H new ATOM 0 HD3 LYS A 53 27.344 -4.406 5.435 1.00 45.31 H new ATOM 0 HE2 LYS A 53 29.237 -2.648 5.049 1.00 2.44 H new ATOM 0 HE3 LYS A 53 27.995 -1.448 5.347 1.00 2.44 H new ATOM 0 HZ1 LYS A 53 29.179 -2.004 7.370 1.00 53.13 H new ATOM 0 HZ2 LYS A 53 27.554 -2.479 7.501 1.00 53.13 H new ATOM 0 HZ3 LYS A 53 28.758 -3.642 7.212 1.00 53.13 H new ATOM 882 N GLY A 54 23.561 -5.358 2.631 1.00 20.13 N ATOM 883 CA GLY A 54 22.283 -5.017 3.228 1.00 52.43 C ATOM 884 C GLY A 54 21.112 -5.598 2.461 1.00 15.11 C ATOM 885 O GLY A 54 20.187 -6.154 3.054 1.00 33.31 O ATOM 0 H GLY A 54 23.615 -6.300 2.244 1.00 20.13 H new ATOM 0 HA2 GLY A 54 22.257 -5.380 4.255 1.00 52.43 H new ATOM 0 HA3 GLY A 54 22.183 -3.932 3.271 1.00 52.43 H new ATOM 889 N HIS A 55 21.149 -5.468 1.139 1.00 73.13 N ATOM 890 CA HIS A 55 20.081 -5.984 0.290 1.00 70.35 C ATOM 891 C HIS A 55 20.134 -7.507 0.216 1.00 34.40 C ATOM 892 O HIS A 55 21.116 -8.081 -0.252 1.00 24.34 O ATOM 893 CB HIS A 55 20.186 -5.390 -1.115 1.00 73.44 C ATOM 894 CG HIS A 55 21.358 -5.900 -1.895 1.00 61.55 C ATOM 895 ND1 HIS A 55 22.665 -5.599 -1.574 1.00 33.32 N ATOM 896 CD2 HIS A 55 21.415 -6.698 -2.988 1.00 44.50 C ATOM 897 CE1 HIS A 55 23.475 -6.188 -2.436 1.00 12.53 C ATOM 898 NE2 HIS A 55 22.742 -6.861 -3.304 1.00 13.30 N ATOM 0 H HIS A 55 21.907 -5.010 0.632 1.00 73.13 H new ATOM 0 HA HIS A 55 19.127 -5.692 0.730 1.00 70.35 H new ATOM 0 HB2 HIS A 55 19.271 -5.612 -1.664 1.00 73.44 H new ATOM 0 HB3 HIS A 55 20.256 -4.305 -1.037 1.00 73.44 H new ATOM 0 HD1 HIS A 55 22.960 -5.013 -0.793 1.00 33.32 H new ATOM 0 HD2 HIS A 55 20.574 -7.126 -3.513 1.00 44.50 H new ATOM 0 HE1 HIS A 55 24.553 -6.129 -2.431 1.00 12.53 H new ATOM 906 N GLU A 56 19.070 -8.155 0.682 1.00 50.33 N ATOM 907 CA GLU A 56 18.997 -9.611 0.670 1.00 61.04 C ATOM 908 C GLU A 56 17.645 -10.084 0.143 1.00 42.21 C ATOM 909 O GLU A 56 16.599 -9.767 0.711 1.00 3.30 O ATOM 910 CB GLU A 56 19.232 -10.167 2.076 1.00 72.34 C ATOM 911 CG GLU A 56 20.240 -11.303 2.120 1.00 33.53 C ATOM 912 CD GLU A 56 19.579 -12.667 2.187 1.00 42.21 C ATOM 913 OE1 GLU A 56 18.934 -12.965 3.214 1.00 42.24 O ATOM 914 OE2 GLU A 56 19.708 -13.436 1.211 1.00 14.21 O ATOM 0 H GLU A 56 18.248 -7.694 1.072 1.00 50.33 H new ATOM 0 HA GLU A 56 19.777 -9.983 0.005 1.00 61.04 H new ATOM 0 HB2 GLU A 56 19.577 -9.361 2.723 1.00 72.34 H new ATOM 0 HB3 GLU A 56 18.283 -10.518 2.482 1.00 72.34 H new ATOM 0 HG2 GLU A 56 20.876 -11.254 1.236 1.00 33.53 H new ATOM 0 HG3 GLU A 56 20.889 -11.175 2.986 1.00 33.53 H new ATOM 921 N LEU A 57 17.674 -10.843 -0.947 1.00 24.45 N ATOM 922 CA LEU A 57 16.452 -11.360 -1.552 1.00 32.43 C ATOM 923 C LEU A 57 15.955 -12.595 -0.806 1.00 50.20 C ATOM 924 O LEU A 57 16.471 -13.697 -0.995 1.00 25.14 O ATOM 925 CB LEU A 57 16.693 -11.702 -3.023 1.00 73.02 C ATOM 926 CG LEU A 57 16.982 -10.519 -3.948 1.00 61.31 C ATOM 927 CD1 LEU A 57 15.975 -9.403 -3.719 1.00 32.33 C ATOM 928 CD2 LEU A 57 18.401 -10.011 -3.736 1.00 71.44 C ATOM 0 H LEU A 57 18.531 -11.114 -1.430 1.00 24.45 H new ATOM 0 HA LEU A 57 15.688 -10.586 -1.486 1.00 32.43 H new ATOM 0 HB2 LEU A 57 17.531 -12.396 -3.081 1.00 73.02 H new ATOM 0 HB3 LEU A 57 15.816 -12.228 -3.401 1.00 73.02 H new ATOM 0 HG LEU A 57 16.889 -10.858 -4.980 1.00 61.31 H new ATOM 0 HD11 LEU A 57 16.197 -8.570 -4.386 1.00 32.33 H new ATOM 0 HD12 LEU A 57 14.970 -9.773 -3.922 1.00 32.33 H new ATOM 0 HD13 LEU A 57 16.035 -9.065 -2.684 1.00 32.33 H new ATOM 0 HD21 LEU A 57 18.589 -9.169 -4.402 1.00 71.44 H new ATOM 0 HD22 LEU A 57 18.521 -9.689 -2.702 1.00 71.44 H new ATOM 0 HD23 LEU A 57 19.110 -10.810 -3.952 1.00 71.44 H new ATOM 940 N LEU A 58 14.949 -12.403 0.040 1.00 75.44 N ATOM 941 CA LEU A 58 14.379 -13.502 0.813 1.00 43.23 C ATOM 942 C LEU A 58 14.010 -14.672 -0.094 1.00 13.51 C ATOM 943 O LEU A 58 14.277 -15.828 0.229 1.00 61.12 O ATOM 944 CB LEU A 58 13.144 -13.026 1.579 1.00 1.31 C ATOM 945 CG LEU A 58 13.237 -13.084 3.104 1.00 11.43 C ATOM 946 CD1 LEU A 58 12.719 -11.793 3.720 1.00 42.11 C ATOM 947 CD2 LEU A 58 12.464 -14.280 3.641 1.00 43.15 C ATOM 0 H LEU A 58 14.511 -11.497 0.208 1.00 75.44 H new ATOM 0 HA LEU A 58 15.131 -13.842 1.525 1.00 43.23 H new ATOM 0 HB2 LEU A 58 12.934 -11.997 1.287 1.00 1.31 H new ATOM 0 HB3 LEU A 58 12.291 -13.627 1.264 1.00 1.31 H new ATOM 0 HG LEU A 58 14.285 -13.200 3.380 1.00 11.43 H new ATOM 0 HD11 LEU A 58 12.793 -11.853 4.806 1.00 42.11 H new ATOM 0 HD12 LEU A 58 13.315 -10.954 3.361 1.00 42.11 H new ATOM 0 HD13 LEU A 58 11.677 -11.646 3.435 1.00 42.11 H new ATOM 0 HD21 LEU A 58 12.541 -14.305 4.728 1.00 43.15 H new ATOM 0 HD22 LEU A 58 11.416 -14.195 3.354 1.00 43.15 H new ATOM 0 HD23 LEU A 58 12.880 -15.198 3.226 1.00 43.15 H new ATOM 959 N ASN A 59 13.395 -14.361 -1.231 1.00 21.22 N ATOM 960 CA ASN A 59 12.990 -15.387 -2.185 1.00 43.34 C ATOM 961 C ASN A 59 13.541 -15.084 -3.576 1.00 1.25 C ATOM 962 O ASN A 59 12.989 -14.263 -4.308 1.00 73.10 O ATOM 963 CB ASN A 59 11.465 -15.488 -2.240 1.00 74.31 C ATOM 964 CG ASN A 59 10.991 -16.877 -2.623 1.00 30.20 C ATOM 965 OD1 ASN A 59 10.843 -17.752 -1.769 1.00 43.04 O ATOM 966 ND2 ASN A 59 10.751 -17.086 -3.912 1.00 53.42 N ATOM 0 H ASN A 59 13.167 -13.408 -1.514 1.00 21.22 H new ATOM 0 HA ASN A 59 13.399 -16.341 -1.851 1.00 43.34 H new ATOM 0 HB2 ASN A 59 11.051 -15.221 -1.268 1.00 74.31 H new ATOM 0 HB3 ASN A 59 11.081 -14.765 -2.960 1.00 74.31 H new ATOM 0 HD21 ASN A 59 10.430 -18.001 -4.229 1.00 53.42 H new ATOM 0 HD22 ASN A 59 10.887 -16.332 -4.585 1.00 53.42 H new ATOM 973 N SER A 60 14.633 -15.753 -3.932 1.00 41.51 N ATOM 974 CA SER A 60 15.261 -15.553 -5.233 1.00 0.11 C ATOM 975 C SER A 60 14.216 -15.543 -6.345 1.00 2.44 C ATOM 976 O SER A 60 13.336 -16.403 -6.394 1.00 65.31 O ATOM 977 CB SER A 60 16.294 -16.650 -5.498 1.00 74.22 C ATOM 978 OG SER A 60 16.260 -17.066 -6.853 1.00 13.35 O ATOM 0 H SER A 60 15.101 -16.438 -3.338 1.00 41.51 H new ATOM 0 HA SER A 60 15.763 -14.586 -5.222 1.00 0.11 H new ATOM 0 HB2 SER A 60 17.290 -16.283 -5.252 1.00 74.22 H new ATOM 0 HB3 SER A 60 16.099 -17.503 -4.848 1.00 74.22 H new ATOM 0 HG SER A 60 16.930 -17.766 -6.997 1.00 13.35 H new ATOM 984 N LEU A 61 14.319 -14.562 -7.235 1.00 63.44 N ATOM 985 CA LEU A 61 13.384 -14.438 -8.348 1.00 31.20 C ATOM 986 C LEU A 61 13.245 -15.762 -9.093 1.00 10.10 C ATOM 987 O LEU A 61 14.240 -16.414 -9.412 1.00 13.44 O ATOM 988 CB LEU A 61 13.849 -13.344 -9.311 1.00 34.31 C ATOM 989 CG LEU A 61 15.220 -13.554 -9.954 1.00 72.42 C ATOM 990 CD1 LEU A 61 15.230 -13.017 -11.377 1.00 30.11 C ATOM 991 CD2 LEU A 61 16.307 -12.889 -9.123 1.00 14.52 C ATOM 0 H LEU A 61 15.040 -13.841 -7.208 1.00 63.44 H new ATOM 0 HA LEU A 61 12.409 -14.167 -7.943 1.00 31.20 H new ATOM 0 HB2 LEU A 61 13.108 -13.248 -10.105 1.00 34.31 H new ATOM 0 HB3 LEU A 61 13.864 -12.396 -8.773 1.00 34.31 H new ATOM 0 HG LEU A 61 15.423 -14.624 -9.990 1.00 72.42 H new ATOM 0 HD11 LEU A 61 16.214 -13.175 -11.819 1.00 30.11 H new ATOM 0 HD12 LEU A 61 14.478 -13.540 -11.968 1.00 30.11 H new ATOM 0 HD13 LEU A 61 15.005 -11.951 -11.365 1.00 30.11 H new ATOM 0 HD21 LEU A 61 17.276 -13.049 -9.596 1.00 14.52 H new ATOM 0 HD22 LEU A 61 16.109 -11.819 -9.054 1.00 14.52 H new ATOM 0 HD23 LEU A 61 16.316 -13.322 -8.123 1.00 14.52 H new ATOM 1003 N ARG A 62 12.005 -16.152 -9.369 1.00 70.22 N ATOM 1004 CA ARG A 62 11.736 -17.398 -10.078 1.00 10.42 C ATOM 1005 C ARG A 62 11.586 -17.149 -11.576 1.00 21.31 C ATOM 1006 O ARG A 62 10.575 -17.511 -12.178 1.00 33.13 O ATOM 1007 CB ARG A 62 10.469 -18.057 -9.530 1.00 61.52 C ATOM 1008 CG ARG A 62 10.449 -19.568 -9.697 1.00 34.14 C ATOM 1009 CD ARG A 62 10.280 -20.274 -8.360 1.00 5.41 C ATOM 1010 NE ARG A 62 9.666 -21.590 -8.509 1.00 55.22 N ATOM 1011 CZ ARG A 62 9.228 -22.317 -7.487 1.00 41.21 C ATOM 1012 NH1 ARG A 62 9.337 -21.858 -6.248 1.00 40.31 N ATOM 1013 NH2 ARG A 62 8.680 -23.506 -7.704 1.00 12.45 N ATOM 0 H ARG A 62 11.171 -15.624 -9.113 1.00 70.22 H new ATOM 0 HA ARG A 62 12.582 -18.067 -9.921 1.00 10.42 H new ATOM 0 HB2 ARG A 62 10.372 -17.815 -8.472 1.00 61.52 H new ATOM 0 HB3 ARG A 62 9.601 -17.632 -10.034 1.00 61.52 H new ATOM 0 HG2 ARG A 62 9.635 -19.851 -10.364 1.00 34.14 H new ATOM 0 HG3 ARG A 62 11.376 -19.895 -10.168 1.00 34.14 H new ATOM 0 HD2 ARG A 62 11.253 -20.380 -7.881 1.00 5.41 H new ATOM 0 HD3 ARG A 62 9.666 -19.660 -7.701 1.00 5.41 H new ATOM 0 HE ARG A 62 9.568 -21.972 -9.450 1.00 55.22 H new ATOM 0 HH11 ARG A 62 9.758 -20.945 -6.078 1.00 40.31 H new ATOM 0 HH12 ARG A 62 9.000 -22.418 -5.465 1.00 40.31 H new ATOM 0 HH21 ARG A 62 8.595 -23.862 -8.656 1.00 12.45 H new ATOM 0 HH22 ARG A 62 8.344 -24.064 -6.919 1.00 12.45 H new ATOM 1027 N PHE A 63 12.599 -16.529 -12.172 1.00 22.31 N ATOM 1028 CA PHE A 63 12.580 -16.231 -13.599 1.00 72.02 C ATOM 1029 C PHE A 63 12.192 -17.466 -14.408 1.00 14.44 C ATOM 1030 O PHE A 63 11.629 -17.356 -15.496 1.00 71.01 O ATOM 1031 CB PHE A 63 13.948 -15.720 -14.054 1.00 4.54 C ATOM 1032 CG PHE A 63 14.979 -16.804 -14.188 1.00 41.32 C ATOM 1033 CD1 PHE A 63 15.323 -17.589 -13.100 1.00 64.40 C ATOM 1034 CD2 PHE A 63 15.603 -17.038 -15.403 1.00 1.31 C ATOM 1035 CE1 PHE A 63 16.272 -18.587 -13.221 1.00 61.11 C ATOM 1036 CE2 PHE A 63 16.552 -18.034 -15.530 1.00 64.41 C ATOM 1037 CZ PHE A 63 16.886 -18.811 -14.438 1.00 4.31 C ATOM 0 H PHE A 63 13.444 -16.223 -11.689 1.00 22.31 H new ATOM 0 HA PHE A 63 11.834 -15.455 -13.772 1.00 72.02 H new ATOM 0 HB2 PHE A 63 13.837 -15.214 -15.013 1.00 4.54 H new ATOM 0 HB3 PHE A 63 14.305 -14.977 -13.341 1.00 4.54 H new ATOM 0 HD1 PHE A 63 14.845 -17.420 -12.147 1.00 64.40 H new ATOM 0 HD2 PHE A 63 15.344 -16.435 -16.261 1.00 1.31 H new ATOM 0 HE1 PHE A 63 16.533 -19.191 -12.365 1.00 61.11 H new ATOM 0 HE2 PHE A 63 17.032 -18.205 -16.482 1.00 64.41 H new ATOM 0 HZ PHE A 63 17.626 -19.592 -14.535 1.00 4.31 H new ATOM 1047 N ASN A 64 12.498 -18.640 -13.866 1.00 74.23 N ATOM 1048 CA ASN A 64 12.182 -19.896 -14.537 1.00 22.30 C ATOM 1049 C ASN A 64 10.737 -19.905 -15.025 1.00 15.45 C ATOM 1050 O ASN A 64 10.403 -20.584 -15.995 1.00 0.10 O ATOM 1051 CB ASN A 64 12.421 -21.077 -13.593 1.00 13.50 C ATOM 1052 CG ASN A 64 13.859 -21.158 -13.121 1.00 5.42 C ATOM 1053 OD1 ASN A 64 14.186 -20.729 -12.014 1.00 3.20 O ATOM 1054 ND2 ASN A 64 14.727 -21.709 -13.961 1.00 24.53 N ATOM 0 H ASN A 64 12.964 -18.748 -12.965 1.00 74.23 H new ATOM 0 HA ASN A 64 12.839 -19.992 -15.402 1.00 22.30 H new ATOM 0 HB2 ASN A 64 11.762 -20.987 -12.729 1.00 13.50 H new ATOM 0 HB3 ASN A 64 12.155 -22.004 -14.101 1.00 13.50 H new ATOM 0 HD21 ASN A 64 15.709 -21.790 -13.699 1.00 24.53 H new ATOM 0 HD22 ASN A 64 14.411 -22.051 -14.869 1.00 24.53 H new ATOM 1061 N GLN A 65 9.884 -19.145 -14.344 1.00 41.14 N ATOM 1062 CA GLN A 65 8.474 -19.065 -14.708 1.00 64.25 C ATOM 1063 C GLN A 65 8.141 -17.700 -15.300 1.00 45.45 C ATOM 1064 O GLN A 65 9.035 -16.919 -15.627 1.00 62.43 O ATOM 1065 CB GLN A 65 7.594 -19.333 -13.486 1.00 43.33 C ATOM 1066 CG GLN A 65 6.660 -20.520 -13.657 1.00 43.23 C ATOM 1067 CD GLN A 65 5.925 -20.497 -14.983 1.00 32.53 C ATOM 1068 OE1 GLN A 65 5.060 -19.652 -15.212 1.00 13.43 O ATOM 1069 NE2 GLN A 65 6.266 -21.430 -15.865 1.00 14.41 N ATOM 0 H GLN A 65 10.145 -18.577 -13.538 1.00 41.14 H new ATOM 0 HA GLN A 65 8.276 -19.826 -15.463 1.00 64.25 H new ATOM 0 HB2 GLN A 65 8.233 -19.506 -12.620 1.00 43.33 H new ATOM 0 HB3 GLN A 65 7.002 -18.443 -13.273 1.00 43.33 H new ATOM 0 HG2 GLN A 65 7.234 -21.443 -13.580 1.00 43.23 H new ATOM 0 HG3 GLN A 65 5.934 -20.527 -12.844 1.00 43.23 H new ATOM 0 HE21 GLN A 65 6.989 -22.111 -15.633 1.00 14.41 H new ATOM 0 HE22 GLN A 65 5.805 -21.465 -16.774 1.00 14.41 H new ATOM 1078 N ALA A 66 6.850 -17.418 -15.436 1.00 13.11 N ATOM 1079 CA ALA A 66 6.399 -16.146 -15.987 1.00 70.00 C ATOM 1080 C ALA A 66 6.517 -15.028 -14.956 1.00 64.34 C ATOM 1081 O ALA A 66 7.122 -15.208 -13.899 1.00 41.41 O ATOM 1082 CB ALA A 66 4.964 -16.263 -16.479 1.00 51.00 C ATOM 0 H ALA A 66 6.097 -18.054 -15.172 1.00 13.11 H new ATOM 0 HA ALA A 66 7.042 -15.896 -16.831 1.00 70.00 H new ATOM 0 HB1 ALA A 66 4.640 -15.306 -16.888 1.00 51.00 H new ATOM 0 HB2 ALA A 66 4.906 -17.027 -17.254 1.00 51.00 H new ATOM 0 HB3 ALA A 66 4.316 -16.540 -15.648 1.00 51.00 H new ATOM 1088 N ASP A 67 5.938 -13.876 -15.272 1.00 15.53 N ATOM 1089 CA ASP A 67 5.978 -12.728 -14.372 1.00 71.24 C ATOM 1090 C ASP A 67 5.990 -13.180 -12.915 1.00 74.04 C ATOM 1091 O ASP A 67 4.984 -13.666 -12.398 1.00 52.11 O ATOM 1092 CB ASP A 67 4.780 -11.812 -14.626 1.00 35.23 C ATOM 1093 CG ASP A 67 3.466 -12.453 -14.224 1.00 33.22 C ATOM 1094 OD1 ASP A 67 2.953 -13.288 -14.997 1.00 74.51 O ATOM 1095 OD2 ASP A 67 2.950 -12.119 -13.136 1.00 42.13 O ATOM 0 H ASP A 67 5.435 -13.711 -16.144 1.00 15.53 H new ATOM 0 HA ASP A 67 6.896 -12.175 -14.569 1.00 71.24 H new ATOM 0 HB2 ASP A 67 4.913 -10.883 -14.071 1.00 35.23 H new ATOM 0 HB3 ASP A 67 4.745 -11.550 -15.683 1.00 35.23 H new ATOM 1100 N TRP A 68 7.133 -13.017 -12.260 1.00 63.43 N ATOM 1101 CA TRP A 68 7.276 -13.410 -10.863 1.00 10.22 C ATOM 1102 C TRP A 68 7.460 -12.187 -9.970 1.00 74.42 C ATOM 1103 O TRP A 68 7.424 -11.050 -10.442 1.00 31.23 O ATOM 1104 CB TRP A 68 8.463 -14.360 -10.697 1.00 74.53 C ATOM 1105 CG TRP A 68 8.209 -15.461 -9.711 1.00 43.44 C ATOM 1106 CD1 TRP A 68 8.792 -15.613 -8.486 1.00 12.14 C ATOM 1107 CD2 TRP A 68 7.309 -16.562 -9.870 1.00 31.54 C ATOM 1108 NE1 TRP A 68 8.308 -16.743 -7.872 1.00 73.22 N ATOM 1109 CE2 TRP A 68 7.396 -17.343 -8.700 1.00 41.12 C ATOM 1110 CE3 TRP A 68 6.436 -16.965 -10.884 1.00 41.31 C ATOM 1111 CZ2 TRP A 68 6.644 -18.501 -8.521 1.00 23.03 C ATOM 1112 CZ3 TRP A 68 5.691 -18.114 -10.705 1.00 31.54 C ATOM 1113 CH2 TRP A 68 5.798 -18.871 -9.530 1.00 70.43 C ATOM 0 H TRP A 68 7.975 -12.615 -12.673 1.00 63.43 H new ATOM 0 HA TRP A 68 6.363 -13.924 -10.561 1.00 10.22 H new ATOM 0 HB2 TRP A 68 8.707 -14.798 -11.665 1.00 74.53 H new ATOM 0 HB3 TRP A 68 9.334 -13.789 -10.377 1.00 74.53 H new ATOM 0 HD1 TRP A 68 9.526 -14.944 -8.062 1.00 12.14 H new ATOM 0 HE1 TRP A 68 8.583 -17.080 -6.950 1.00 73.22 H new ATOM 0 HE3 TRP A 68 6.345 -16.388 -11.792 1.00 41.31 H new ATOM 0 HZ2 TRP A 68 6.726 -19.087 -7.617 1.00 23.03 H new ATOM 0 HZ3 TRP A 68 5.015 -18.435 -11.483 1.00 31.54 H new ATOM 0 HH2 TRP A 68 5.201 -19.764 -9.419 1.00 70.43 H new ATOM 1124 N THR A 69 7.657 -12.428 -8.678 1.00 12.24 N ATOM 1125 CA THR A 69 7.845 -11.346 -7.719 1.00 62.31 C ATOM 1126 C THR A 69 9.077 -11.587 -6.854 1.00 42.41 C ATOM 1127 O THR A 69 9.265 -12.677 -6.314 1.00 73.22 O ATOM 1128 CB THR A 69 6.615 -11.184 -6.806 1.00 50.24 C ATOM 1129 OG1 THR A 69 7.017 -11.214 -5.432 1.00 71.24 O ATOM 1130 CG2 THR A 69 5.598 -12.285 -7.067 1.00 65.12 C ATOM 0 H THR A 69 7.691 -13.363 -8.271 1.00 12.24 H new ATOM 0 HA THR A 69 7.982 -10.432 -8.297 1.00 62.31 H new ATOM 0 HB THR A 69 6.150 -10.223 -7.027 1.00 50.24 H new ATOM 0 HG1 THR A 69 6.223 -11.270 -4.860 1.00 71.24 H new ATOM 0 HG21 THR A 69 4.738 -12.149 -6.411 1.00 65.12 H new ATOM 0 HG22 THR A 69 5.272 -12.240 -8.106 1.00 65.12 H new ATOM 0 HG23 THR A 69 6.054 -13.255 -6.872 1.00 65.12 H new ATOM 1138 N ILE A 70 9.913 -10.562 -6.726 1.00 45.02 N ATOM 1139 CA ILE A 70 11.127 -10.662 -5.925 1.00 32.43 C ATOM 1140 C ILE A 70 11.036 -9.788 -4.679 1.00 23.25 C ATOM 1141 O ILE A 70 10.868 -8.572 -4.771 1.00 35.32 O ATOM 1142 CB ILE A 70 12.372 -10.255 -6.735 1.00 12.04 C ATOM 1143 CG1 ILE A 70 13.625 -10.334 -5.860 1.00 34.52 C ATOM 1144 CG2 ILE A 70 12.201 -8.852 -7.299 1.00 21.34 C ATOM 1145 CD1 ILE A 70 13.886 -11.716 -5.302 1.00 74.24 C ATOM 0 H ILE A 70 9.772 -9.653 -7.167 1.00 45.02 H new ATOM 0 HA ILE A 70 11.224 -11.706 -5.628 1.00 32.43 H new ATOM 0 HB ILE A 70 12.489 -10.949 -7.567 1.00 12.04 H new ATOM 0 HG12 ILE A 70 14.488 -10.019 -6.446 1.00 34.52 H new ATOM 0 HG13 ILE A 70 13.526 -9.630 -5.034 1.00 34.52 H new ATOM 0 HG21 ILE A 70 13.089 -8.578 -7.869 1.00 21.34 H new ATOM 0 HG22 ILE A 70 11.328 -8.826 -7.952 1.00 21.34 H new ATOM 0 HG23 ILE A 70 12.063 -8.145 -6.481 1.00 21.34 H new ATOM 0 HD11 ILE A 70 14.789 -11.698 -4.692 1.00 74.24 H new ATOM 0 HD12 ILE A 70 13.040 -12.026 -4.689 1.00 74.24 H new ATOM 0 HD13 ILE A 70 14.017 -12.421 -6.123 1.00 74.24 H new ATOM 1157 N VAL A 71 11.152 -10.416 -3.512 1.00 55.14 N ATOM 1158 CA VAL A 71 11.086 -9.695 -2.247 1.00 32.34 C ATOM 1159 C VAL A 71 12.471 -9.238 -1.802 1.00 34.31 C ATOM 1160 O VAL A 71 13.400 -10.040 -1.707 1.00 30.03 O ATOM 1161 CB VAL A 71 10.463 -10.564 -1.138 1.00 23.33 C ATOM 1162 CG1 VAL A 71 9.022 -10.911 -1.477 1.00 72.41 C ATOM 1163 CG2 VAL A 71 11.288 -11.825 -0.923 1.00 54.33 C ATOM 0 H VAL A 71 11.292 -11.422 -3.417 1.00 55.14 H new ATOM 0 HA VAL A 71 10.454 -8.822 -2.412 1.00 32.34 H new ATOM 0 HB VAL A 71 10.465 -9.993 -0.209 1.00 23.33 H new ATOM 0 HG11 VAL A 71 8.599 -11.525 -0.682 1.00 72.41 H new ATOM 0 HG12 VAL A 71 8.441 -9.994 -1.576 1.00 72.41 H new ATOM 0 HG13 VAL A 71 8.992 -11.463 -2.417 1.00 72.41 H new ATOM 0 HG21 VAL A 71 10.834 -12.427 -0.136 1.00 54.33 H new ATOM 0 HG22 VAL A 71 11.320 -12.401 -1.848 1.00 54.33 H new ATOM 0 HG23 VAL A 71 12.302 -11.551 -0.631 1.00 54.33 H new ATOM 1173 N VAL A 72 12.602 -7.944 -1.530 1.00 14.22 N ATOM 1174 CA VAL A 72 13.873 -7.379 -1.093 1.00 71.21 C ATOM 1175 C VAL A 72 13.747 -6.746 0.288 1.00 44.41 C ATOM 1176 O VAL A 72 12.898 -5.883 0.511 1.00 1.14 O ATOM 1177 CB VAL A 72 14.388 -6.321 -2.087 1.00 12.35 C ATOM 1178 CG1 VAL A 72 15.874 -6.072 -1.879 1.00 51.40 C ATOM 1179 CG2 VAL A 72 14.106 -6.752 -3.518 1.00 31.23 C ATOM 0 H VAL A 72 11.843 -7.267 -1.605 1.00 14.22 H new ATOM 0 HA VAL A 72 14.587 -8.202 -1.048 1.00 71.21 H new ATOM 0 HB VAL A 72 13.858 -5.386 -1.903 1.00 12.35 H new ATOM 0 HG11 VAL A 72 16.220 -5.322 -2.590 1.00 51.40 H new ATOM 0 HG12 VAL A 72 16.044 -5.715 -0.863 1.00 51.40 H new ATOM 0 HG13 VAL A 72 16.424 -7.000 -2.035 1.00 51.40 H new ATOM 0 HG21 VAL A 72 14.477 -5.993 -4.206 1.00 31.23 H new ATOM 0 HG22 VAL A 72 14.607 -7.699 -3.718 1.00 31.23 H new ATOM 0 HG23 VAL A 72 13.032 -6.874 -3.656 1.00 31.23 H new ATOM 1189 N ARG A 73 14.599 -7.179 1.211 1.00 20.34 N ATOM 1190 CA ARG A 73 14.583 -6.655 2.572 1.00 42.03 C ATOM 1191 C ARG A 73 15.711 -5.648 2.779 1.00 14.04 C ATOM 1192 O ARG A 73 16.886 -6.013 2.809 1.00 2.30 O ATOM 1193 CB ARG A 73 14.712 -7.796 3.582 1.00 34.14 C ATOM 1194 CG ARG A 73 15.890 -8.718 3.314 1.00 3.41 C ATOM 1195 CD ARG A 73 16.784 -8.850 4.537 1.00 12.24 C ATOM 1196 NE ARG A 73 16.089 -9.480 5.657 1.00 64.42 N ATOM 1197 CZ ARG A 73 15.780 -10.772 5.696 1.00 5.35 C ATOM 1198 NH1 ARG A 73 16.103 -11.565 4.685 1.00 61.35 N ATOM 1199 NH2 ARG A 73 15.148 -11.272 6.750 1.00 11.33 N ATOM 0 H ARG A 73 15.309 -7.891 1.042 1.00 20.34 H new ATOM 0 HA ARG A 73 13.631 -6.147 2.728 1.00 42.03 H new ATOM 0 HB2 ARG A 73 14.812 -7.375 4.582 1.00 34.14 H new ATOM 0 HB3 ARG A 73 13.793 -8.383 3.574 1.00 34.14 H new ATOM 0 HG2 ARG A 73 15.524 -9.702 3.022 1.00 3.41 H new ATOM 0 HG3 ARG A 73 16.472 -8.333 2.477 1.00 3.41 H new ATOM 0 HD2 ARG A 73 17.665 -9.438 4.280 1.00 12.24 H new ATOM 0 HD3 ARG A 73 17.136 -7.863 4.837 1.00 12.24 H new ATOM 0 HE ARG A 73 15.827 -8.897 6.452 1.00 64.42 H new ATOM 0 HH11 ARG A 73 16.590 -11.184 3.874 1.00 61.35 H new ATOM 0 HH12 ARG A 73 15.864 -12.556 4.718 1.00 61.35 H new ATOM 0 HH21 ARG A 73 14.899 -10.665 7.531 1.00 11.33 H new ATOM 0 HH22 ARG A 73 14.911 -12.264 6.779 1.00 11.33 H new ATOM 1213 N LYS A 74 15.344 -4.379 2.922 1.00 4.22 N ATOM 1214 CA LYS A 74 16.323 -3.318 3.128 1.00 43.11 C ATOM 1215 C LYS A 74 17.111 -3.546 4.414 1.00 61.41 C ATOM 1216 O LYS A 74 16.647 -4.233 5.325 1.00 44.22 O ATOM 1217 CB LYS A 74 15.627 -1.956 3.179 1.00 70.10 C ATOM 1218 CG LYS A 74 15.596 -1.238 1.841 1.00 73.43 C ATOM 1219 CD LYS A 74 15.720 0.266 2.012 1.00 52.32 C ATOM 1220 CE LYS A 74 17.167 0.722 1.904 1.00 51.13 C ATOM 1221 NZ LYS A 74 17.396 2.014 2.608 1.00 33.13 N ATOM 0 H LYS A 74 14.375 -4.060 2.899 1.00 4.22 H new ATOM 0 HA LYS A 74 17.019 -3.333 2.289 1.00 43.11 H new ATOM 0 HB2 LYS A 74 14.605 -2.093 3.532 1.00 70.10 H new ATOM 0 HB3 LYS A 74 16.135 -1.325 3.909 1.00 70.10 H new ATOM 0 HG2 LYS A 74 16.409 -1.602 1.213 1.00 73.43 H new ATOM 0 HG3 LYS A 74 14.665 -1.471 1.324 1.00 73.43 H new ATOM 0 HD2 LYS A 74 15.121 0.770 1.254 1.00 52.32 H new ATOM 0 HD3 LYS A 74 15.317 0.557 2.982 1.00 52.32 H new ATOM 0 HE2 LYS A 74 17.821 -0.042 2.325 1.00 51.13 H new ATOM 0 HE3 LYS A 74 17.437 0.828 0.853 1.00 51.13 H new ATOM 0 HZ1 LYS A 74 18.394 2.290 2.511 1.00 33.13 H new ATOM 0 HZ2 LYS A 74 16.791 2.749 2.190 1.00 33.13 H new ATOM 0 HZ3 LYS A 74 17.163 1.906 3.616 1.00 33.13 H new ATOM 1235 N LYS A 75 18.304 -2.966 4.482 1.00 3.14 N ATOM 1236 CA LYS A 75 19.156 -3.103 5.658 1.00 62.32 C ATOM 1237 C LYS A 75 20.416 -2.255 5.519 1.00 50.51 C ATOM 1238 O LYS A 75 20.614 -1.581 4.508 1.00 74.30 O ATOM 1239 CB LYS A 75 19.538 -4.570 5.868 1.00 35.40 C ATOM 1240 CG LYS A 75 19.208 -5.091 7.256 1.00 22.52 C ATOM 1241 CD LYS A 75 20.457 -5.228 8.111 1.00 31.41 C ATOM 1242 CE LYS A 75 20.292 -4.533 9.454 1.00 42.34 C ATOM 1243 NZ LYS A 75 19.622 -5.409 10.454 1.00 52.02 N ATOM 0 H LYS A 75 18.703 -2.396 3.736 1.00 3.14 H new ATOM 0 HA LYS A 75 18.596 -2.751 6.524 1.00 62.32 H new ATOM 0 HB2 LYS A 75 19.022 -5.181 5.127 1.00 35.40 H new ATOM 0 HB3 LYS A 75 20.607 -4.688 5.689 1.00 35.40 H new ATOM 0 HG2 LYS A 75 18.505 -4.414 7.742 1.00 22.52 H new ATOM 0 HG3 LYS A 75 18.714 -6.059 7.174 1.00 22.52 H new ATOM 0 HD2 LYS A 75 20.676 -6.284 8.271 1.00 31.41 H new ATOM 0 HD3 LYS A 75 21.310 -4.802 7.582 1.00 31.41 H new ATOM 0 HE2 LYS A 75 21.270 -4.234 9.831 1.00 42.34 H new ATOM 0 HE3 LYS A 75 19.709 -3.621 9.322 1.00 42.34 H new ATOM 0 HZ1 LYS A 75 19.529 -4.899 11.355 1.00 52.02 H new ATOM 0 HZ2 LYS A 75 18.678 -5.674 10.107 1.00 52.02 H new ATOM 0 HZ3 LYS A 75 20.191 -6.268 10.600 1.00 52.02 H new ATOM 1257 N ALA A 76 21.265 -2.293 6.540 1.00 4.23 N ATOM 1258 CA ALA A 76 22.507 -1.530 6.530 1.00 64.01 C ATOM 1259 C ALA A 76 22.247 -0.062 6.210 1.00 44.12 C ATOM 1260 O ALA A 76 22.417 0.374 5.070 1.00 14.24 O ATOM 1261 CB ALA A 76 23.484 -2.126 5.527 1.00 4.12 C ATOM 0 H ALA A 76 21.116 -2.844 7.385 1.00 4.23 H new ATOM 0 HA ALA A 76 22.947 -1.585 7.526 1.00 64.01 H new ATOM 0 HB1 ALA A 76 24.407 -1.546 5.530 1.00 4.12 H new ATOM 0 HB2 ALA A 76 23.703 -3.158 5.801 1.00 4.12 H new ATOM 0 HB3 ALA A 76 23.043 -2.101 4.531 1.00 4.12 H new TER 1267 ALA A 76