USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 530 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 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 TYR OH : rot -150:sc= 0.251 USER MOD Set 2.2: A 80 GLN : amide:sc= -0.145 X(o=0.11,f=0.4) USER MOD Single : A 23 HIS : no HE2:sc= -0.921 K(o=-0.92,f=-3.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -175:sc= -1.57 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -170:sc= -0.921 USER MOD Single : A 33 THR OG1 : rot 180:sc=0.000751 USER MOD Single : A 37 SER OG : rot 150:sc= -0.56 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 47 TYR OH : rot 60:sc= -3.27 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -116:sc= 0.206 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0293 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0.03) USER MOD Single : A 73 ASN : amide:sc= -0.59 X(o=-0.59,f=-0.65) USER MOD Single : A 76 LYS NZ :NH3+ -130:sc= 0.408 (180deg=-0.933) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 20 15.813 -7.797 20.409 1.00 2.42 N ATOM 2 CA LEU A 20 14.639 -8.198 19.641 1.00 22.52 C ATOM 3 C LEU A 20 14.799 -9.616 19.102 1.00 52.12 C ATOM 4 O LEU A 20 15.905 -10.147 19.000 1.00 4.33 O ATOM 5 CB LEU A 20 14.403 -7.223 18.486 1.00 63.43 C ATOM 6 CG LEU A 20 13.332 -6.156 18.715 1.00 22.41 C ATOM 7 CD1 LEU A 20 13.586 -5.416 20.018 1.00 24.54 C ATOM 8 CD2 LEU A 20 13.291 -5.184 17.547 1.00 52.53 C ATOM 0 HA LEU A 20 13.776 -8.178 20.306 1.00 22.52 H new ATOM 0 HB2 LEU A 20 15.345 -6.722 18.262 1.00 63.43 H new ATOM 0 HB3 LEU A 20 14.130 -7.799 17.601 1.00 63.43 H new ATOM 0 HG LEU A 20 12.363 -6.650 18.785 1.00 22.41 H new ATOM 0 HD11 LEU A 20 12.814 -4.661 20.164 1.00 24.54 H new ATOM 0 HD12 LEU A 20 13.564 -6.122 20.848 1.00 24.54 H new ATOM 0 HD13 LEU A 20 14.563 -4.933 19.978 1.00 24.54 H new ATOM 0 HD21 LEU A 20 12.523 -4.431 17.727 1.00 52.53 H new ATOM 0 HD22 LEU A 20 14.260 -4.696 17.445 1.00 52.53 H new ATOM 0 HD23 LEU A 20 13.060 -5.726 16.630 1.00 52.53 H new ATOM 20 N PRO A 21 13.669 -10.245 18.745 1.00 4.54 N ATOM 21 CA PRO A 21 13.659 -11.608 18.208 1.00 53.13 C ATOM 22 C PRO A 21 14.258 -11.684 16.808 1.00 52.25 C ATOM 23 O PRO A 21 14.221 -10.712 16.053 1.00 61.05 O ATOM 24 CB PRO A 21 12.170 -11.963 18.171 1.00 31.54 C ATOM 25 CG PRO A 21 11.470 -10.652 18.073 1.00 23.02 C ATOM 26 CD PRO A 21 12.315 -9.672 18.839 1.00 25.30 C ATOM 0 HA PRO A 21 14.260 -12.288 18.812 1.00 53.13 H new ATOM 0 HB2 PRO A 21 11.936 -12.601 17.319 1.00 31.54 H new ATOM 0 HB3 PRO A 21 11.870 -12.506 19.067 1.00 31.54 H new ATOM 0 HG2 PRO A 21 11.362 -10.344 17.033 1.00 23.02 H new ATOM 0 HG3 PRO A 21 10.466 -10.713 18.493 1.00 23.02 H new ATOM 0 HD2 PRO A 21 12.269 -8.674 18.402 1.00 25.30 H new ATOM 0 HD3 PRO A 21 11.987 -9.582 19.875 1.00 25.30 H new ATOM 34 N ALA A 22 14.810 -12.844 16.467 1.00 62.44 N ATOM 35 CA ALA A 22 15.415 -13.047 15.157 1.00 24.02 C ATOM 36 C ALA A 22 14.495 -13.851 14.245 1.00 33.01 C ATOM 37 O ALA A 22 13.450 -14.341 14.677 1.00 42.40 O ATOM 38 CB ALA A 22 16.760 -13.744 15.299 1.00 4.53 C ATOM 0 H ALA A 22 14.850 -13.658 17.081 1.00 62.44 H new ATOM 0 HA ALA A 22 15.571 -12.069 14.701 1.00 24.02 H new ATOM 0 HB1 ALA A 22 17.200 -13.889 14.313 1.00 4.53 H new ATOM 0 HB2 ALA A 22 17.425 -13.131 15.907 1.00 4.53 H new ATOM 0 HB3 ALA A 22 16.619 -14.712 15.780 1.00 4.53 H new ATOM 44 N HIS A 23 14.888 -13.984 12.982 1.00 4.44 N ATOM 45 CA HIS A 23 14.098 -14.729 12.009 1.00 32.31 C ATOM 46 C HIS A 23 14.877 -15.930 11.482 1.00 34.03 C ATOM 47 O HIS A 23 16.074 -15.851 11.205 1.00 40.42 O ATOM 48 CB HIS A 23 13.690 -13.821 10.849 1.00 74.25 C ATOM 49 CG HIS A 23 13.304 -12.439 11.277 1.00 53.10 C ATOM 50 ND1 HIS A 23 12.356 -12.188 12.246 1.00 35.44 N ATOM 51 CD2 HIS A 23 13.745 -11.228 10.862 1.00 12.22 C ATOM 52 CE1 HIS A 23 12.229 -10.884 12.409 1.00 62.00 C ATOM 53 NE2 HIS A 23 13.061 -10.279 11.581 1.00 1.42 N ATOM 0 H HIS A 23 15.749 -13.585 12.609 1.00 4.44 H new ATOM 0 HA HIS A 23 13.200 -15.092 12.509 1.00 32.31 H new ATOM 0 HB2 HIS A 23 14.517 -13.756 10.142 1.00 74.25 H new ATOM 0 HB3 HIS A 23 12.853 -14.276 10.320 1.00 74.25 H new ATOM 0 HD1 HIS A 23 11.834 -12.899 12.758 1.00 35.44 H new ATOM 0 HD2 HIS A 23 14.495 -11.043 10.107 1.00 12.22 H new ATOM 0 HE1 HIS A 23 11.559 -10.396 13.101 1.00 62.00 H new ATOM 61 N PRO A 24 14.184 -17.069 11.340 1.00 25.52 N ATOM 62 CA PRO A 24 14.792 -18.309 10.846 1.00 53.13 C ATOM 63 C PRO A 24 15.150 -18.228 9.366 1.00 10.20 C ATOM 64 O PRO A 24 14.594 -17.416 8.626 1.00 61.32 O ATOM 65 CB PRO A 24 13.699 -19.356 11.074 1.00 31.30 C ATOM 66 CG PRO A 24 12.426 -18.582 11.067 1.00 73.23 C ATOM 67 CD PRO A 24 12.755 -17.237 11.652 1.00 2.40 C ATOM 0 HA PRO A 24 15.729 -18.534 11.355 1.00 53.13 H new ATOM 0 HB2 PRO A 24 13.706 -20.113 10.290 1.00 31.30 H new ATOM 0 HB3 PRO A 24 13.841 -19.877 12.021 1.00 31.30 H new ATOM 0 HG2 PRO A 24 12.036 -18.482 10.054 1.00 73.23 H new ATOM 0 HG3 PRO A 24 11.660 -19.086 11.655 1.00 73.23 H new ATOM 0 HD2 PRO A 24 12.151 -16.447 11.207 1.00 2.40 H new ATOM 0 HD3 PRO A 24 12.573 -17.211 12.726 1.00 2.40 H new ATOM 75 N TYR A 25 16.082 -19.074 8.940 1.00 63.32 N ATOM 76 CA TYR A 25 16.515 -19.096 7.549 1.00 65.33 C ATOM 77 C TYR A 25 15.395 -19.585 6.637 1.00 50.44 C ATOM 78 O TYR A 25 15.280 -19.153 5.489 1.00 71.25 O ATOM 79 CB TYR A 25 17.744 -19.994 7.390 1.00 64.03 C ATOM 80 CG TYR A 25 18.233 -20.106 5.964 1.00 51.34 C ATOM 81 CD1 TYR A 25 17.676 -21.030 5.088 1.00 30.55 C ATOM 82 CD2 TYR A 25 19.251 -19.288 5.491 1.00 41.42 C ATOM 83 CE1 TYR A 25 18.119 -21.137 3.784 1.00 3.24 C ATOM 84 CE2 TYR A 25 19.700 -19.385 4.188 1.00 21.51 C ATOM 85 CZ TYR A 25 19.131 -20.312 3.338 1.00 2.11 C ATOM 86 OH TYR A 25 19.576 -20.413 2.040 1.00 30.41 O ATOM 0 H TYR A 25 16.552 -19.753 9.539 1.00 63.32 H new ATOM 0 HA TYR A 25 16.776 -18.078 7.261 1.00 65.33 H new ATOM 0 HB2 TYR A 25 18.550 -19.605 8.012 1.00 64.03 H new ATOM 0 HB3 TYR A 25 17.506 -20.990 7.763 1.00 64.03 H new ATOM 0 HD1 TYR A 25 16.882 -21.676 5.433 1.00 30.55 H new ATOM 0 HD2 TYR A 25 19.700 -18.563 6.154 1.00 41.42 H new ATOM 0 HE1 TYR A 25 17.676 -21.862 3.118 1.00 3.24 H new ATOM 0 HE2 TYR A 25 20.491 -18.739 3.837 1.00 21.51 H new ATOM 0 HH TYR A 25 20.523 -20.164 1.998 1.00 30.41 H new ATOM 96 N ASP A 26 14.569 -20.488 7.155 1.00 5.53 N ATOM 97 CA ASP A 26 13.455 -21.034 6.390 1.00 64.55 C ATOM 98 C ASP A 26 12.487 -19.930 5.975 1.00 63.04 C ATOM 99 O ASP A 26 11.792 -20.048 4.966 1.00 73.15 O ATOM 100 CB ASP A 26 12.718 -22.095 7.208 1.00 24.12 C ATOM 101 CG ASP A 26 12.351 -23.312 6.382 1.00 71.20 C ATOM 102 OD1 ASP A 26 11.141 -23.543 6.170 1.00 42.42 O ATOM 103 OD2 ASP A 26 13.273 -24.033 5.946 1.00 74.32 O ATOM 0 H ASP A 26 14.651 -20.857 8.102 1.00 5.53 H new ATOM 0 HA ASP A 26 13.858 -21.496 5.489 1.00 64.55 H new ATOM 0 HB2 ASP A 26 13.344 -22.403 8.045 1.00 24.12 H new ATOM 0 HB3 ASP A 26 11.812 -21.660 7.630 1.00 24.12 H new ATOM 108 N ARG A 27 12.448 -18.860 6.760 1.00 1.21 N ATOM 109 CA ARG A 27 11.564 -17.735 6.476 1.00 71.52 C ATOM 110 C ARG A 27 12.307 -16.636 5.722 1.00 20.35 C ATOM 111 O ARG A 27 11.696 -15.824 5.026 1.00 71.01 O ATOM 112 CB ARG A 27 10.982 -17.176 7.775 1.00 35.14 C ATOM 113 CG ARG A 27 9.668 -16.435 7.585 1.00 44.24 C ATOM 114 CD ARG A 27 8.525 -17.395 7.295 1.00 15.10 C ATOM 115 NE ARG A 27 7.227 -16.824 7.650 1.00 25.14 N ATOM 116 CZ ARG A 27 6.746 -16.807 8.888 1.00 40.24 C ATOM 117 NH1 ARG A 27 7.451 -17.326 9.884 1.00 12.11 N ATOM 118 NH2 ARG A 27 5.558 -16.269 9.132 1.00 54.54 N ATOM 0 H ARG A 27 13.018 -18.747 7.598 1.00 1.21 H new ATOM 0 HA ARG A 27 10.750 -18.095 5.847 1.00 71.52 H new ATOM 0 HB2 ARG A 27 10.829 -17.996 8.477 1.00 35.14 H new ATOM 0 HB3 ARG A 27 11.708 -16.501 8.227 1.00 35.14 H new ATOM 0 HG2 ARG A 27 9.441 -15.858 8.481 1.00 44.24 H new ATOM 0 HG3 ARG A 27 9.765 -15.724 6.764 1.00 44.24 H new ATOM 0 HD2 ARG A 27 8.529 -17.655 6.236 1.00 15.10 H new ATOM 0 HD3 ARG A 27 8.678 -18.320 7.851 1.00 15.10 H new ATOM 0 HE ARG A 27 6.660 -16.416 6.907 1.00 25.14 H new ATOM 0 HH11 ARG A 27 8.365 -17.740 9.700 1.00 12.11 H new ATOM 0 HH12 ARG A 27 7.079 -17.312 10.834 1.00 12.11 H new ATOM 0 HH21 ARG A 27 5.013 -15.868 8.369 1.00 54.54 H new ATOM 0 HH22 ARG A 27 5.189 -16.256 10.083 1.00 54.54 H new ATOM 132 N LEU A 28 13.626 -16.616 5.868 1.00 43.50 N ATOM 133 CA LEU A 28 14.454 -15.614 5.202 1.00 24.43 C ATOM 134 C LEU A 28 14.890 -16.099 3.824 1.00 61.15 C ATOM 135 O LEU A 28 15.330 -17.238 3.664 1.00 51.32 O ATOM 136 CB LEU A 28 15.683 -15.291 6.054 1.00 20.51 C ATOM 137 CG LEU A 28 15.885 -13.819 6.409 1.00 53.42 C ATOM 138 CD1 LEU A 28 14.996 -13.424 7.578 1.00 22.40 C ATOM 139 CD2 LEU A 28 17.346 -13.543 6.731 1.00 3.13 C ATOM 0 H LEU A 28 14.146 -17.281 6.441 1.00 43.50 H new ATOM 0 HA LEU A 28 13.858 -14.710 5.078 1.00 24.43 H new ATOM 0 HB2 LEU A 28 15.618 -15.862 6.980 1.00 20.51 H new ATOM 0 HB3 LEU A 28 16.569 -15.641 5.525 1.00 20.51 H new ATOM 0 HG LEU A 28 15.604 -13.216 5.546 1.00 53.42 H new ATOM 0 HD11 LEU A 28 15.154 -12.372 7.816 1.00 22.40 H new ATOM 0 HD12 LEU A 28 13.951 -13.582 7.310 1.00 22.40 H new ATOM 0 HD13 LEU A 28 15.245 -14.034 8.447 1.00 22.40 H new ATOM 0 HD21 LEU A 28 17.471 -12.490 6.981 1.00 3.13 H new ATOM 0 HD22 LEU A 28 17.654 -14.156 7.578 1.00 3.13 H new ATOM 0 HD23 LEU A 28 17.962 -13.785 5.865 1.00 3.13 H new ATOM 151 N LYS A 29 14.766 -15.226 2.829 1.00 11.14 N ATOM 152 CA LYS A 29 15.150 -15.562 1.463 1.00 42.21 C ATOM 153 C LYS A 29 16.060 -14.488 0.874 1.00 75.23 C ATOM 154 O LYS A 29 16.041 -13.336 1.309 1.00 74.34 O ATOM 155 CB LYS A 29 13.906 -15.728 0.587 1.00 22.22 C ATOM 156 CG LYS A 29 14.049 -16.805 -0.474 1.00 30.52 C ATOM 157 CD LYS A 29 13.003 -17.896 -0.305 1.00 63.32 C ATOM 158 CE LYS A 29 13.281 -19.080 -1.219 1.00 12.13 C ATOM 159 NZ LYS A 29 12.028 -19.781 -1.613 1.00 72.33 N ATOM 0 H LYS A 29 14.402 -14.280 2.944 1.00 11.14 H new ATOM 0 HA LYS A 29 15.697 -16.504 1.488 1.00 42.21 H new ATOM 0 HB2 LYS A 29 13.053 -15.967 1.223 1.00 22.22 H new ATOM 0 HB3 LYS A 29 13.685 -14.778 0.101 1.00 22.22 H new ATOM 0 HG2 LYS A 29 13.953 -16.358 -1.463 1.00 30.52 H new ATOM 0 HG3 LYS A 29 15.046 -17.243 -0.417 1.00 30.52 H new ATOM 0 HD2 LYS A 29 12.989 -18.231 0.732 1.00 63.32 H new ATOM 0 HD3 LYS A 29 12.015 -17.491 -0.523 1.00 63.32 H new ATOM 0 HE2 LYS A 29 13.801 -18.735 -2.113 1.00 12.13 H new ATOM 0 HE3 LYS A 29 13.946 -19.781 -0.714 1.00 12.13 H new ATOM 0 HZ1 LYS A 29 12.259 -20.581 -2.235 1.00 72.33 H new ATOM 0 HZ2 LYS A 29 11.545 -20.132 -0.762 1.00 72.33 H new ATOM 0 HZ3 LYS A 29 11.404 -19.119 -2.117 1.00 72.33 H new ATOM 173 N THR A 30 16.856 -14.872 -0.119 1.00 71.31 N ATOM 174 CA THR A 30 17.772 -13.943 -0.768 1.00 33.53 C ATOM 175 C THR A 30 17.048 -12.677 -1.212 1.00 23.12 C ATOM 176 O THR A 30 17.566 -11.569 -1.068 1.00 64.10 O ATOM 177 CB THR A 30 18.454 -14.587 -1.990 1.00 75.31 C ATOM 178 OG1 THR A 30 18.340 -16.012 -1.919 1.00 71.32 O ATOM 179 CG2 THR A 30 19.921 -14.192 -2.062 1.00 10.14 C ATOM 0 H THR A 30 16.884 -15.821 -0.491 1.00 71.31 H new ATOM 0 HA THR A 30 18.533 -13.684 -0.032 1.00 33.53 H new ATOM 0 HB THR A 30 17.954 -14.228 -2.889 1.00 75.31 H new ATOM 0 HG1 THR A 30 18.842 -16.417 -2.656 1.00 71.32 H new ATOM 0 HG21 THR A 30 20.381 -14.659 -2.933 1.00 10.14 H new ATOM 0 HG22 THR A 30 20.002 -13.108 -2.146 1.00 10.14 H new ATOM 0 HG23 THR A 30 20.432 -14.525 -1.159 1.00 10.14 H new ATOM 187 N THR A 31 15.845 -12.848 -1.752 1.00 72.31 N ATOM 188 CA THR A 31 15.050 -11.719 -2.218 1.00 33.10 C ATOM 189 C THR A 31 13.641 -11.761 -1.636 1.00 21.02 C ATOM 190 O THR A 31 12.660 -11.529 -2.341 1.00 43.44 O ATOM 191 CB THR A 31 14.957 -11.693 -3.755 1.00 71.41 C ATOM 192 OG1 THR A 31 14.244 -12.845 -4.222 1.00 14.33 O ATOM 193 CG2 THR A 31 16.343 -11.661 -4.381 1.00 1.40 C ATOM 0 H THR A 31 15.400 -13.757 -1.877 1.00 72.31 H new ATOM 0 HA THR A 31 15.555 -10.815 -1.877 1.00 33.10 H new ATOM 0 HB THR A 31 14.422 -10.790 -4.049 1.00 71.41 H new ATOM 0 HG1 THR A 31 14.187 -12.820 -5.200 1.00 14.33 H new ATOM 0 HG21 THR A 31 16.251 -11.643 -5.467 1.00 1.40 H new ATOM 0 HG22 THR A 31 16.873 -10.769 -4.047 1.00 1.40 H new ATOM 0 HG23 THR A 31 16.899 -12.548 -4.078 1.00 1.40 H new ATOM 201 N SER A 32 13.549 -12.060 -0.343 1.00 54.15 N ATOM 202 CA SER A 32 12.260 -12.135 0.333 1.00 33.52 C ATOM 203 C SER A 32 11.819 -10.758 0.819 1.00 4.31 C ATOM 204 O SER A 32 12.648 -9.904 1.137 1.00 25.13 O ATOM 205 CB SER A 32 12.336 -13.105 1.514 1.00 51.02 C ATOM 206 OG SER A 32 11.524 -14.245 1.290 1.00 23.32 O ATOM 0 H SER A 32 14.352 -12.254 0.256 1.00 54.15 H new ATOM 0 HA SER A 32 11.523 -12.501 -0.382 1.00 33.52 H new ATOM 0 HB2 SER A 32 13.370 -13.415 1.668 1.00 51.02 H new ATOM 0 HB3 SER A 32 12.016 -12.600 2.425 1.00 51.02 H new ATOM 0 HG SER A 32 11.463 -14.771 2.115 1.00 23.32 H new ATOM 212 N THR A 33 10.508 -10.547 0.875 1.00 63.33 N ATOM 213 CA THR A 33 9.956 -9.274 1.322 1.00 61.45 C ATOM 214 C THR A 33 9.224 -9.428 2.649 1.00 12.24 C ATOM 215 O THR A 33 8.547 -8.507 3.106 1.00 54.25 O ATOM 216 CB THR A 33 8.987 -8.687 0.279 1.00 54.40 C ATOM 217 OG1 THR A 33 8.617 -9.694 -0.670 1.00 31.53 O ATOM 218 CG2 THR A 33 9.620 -7.509 -0.446 1.00 24.23 C ATOM 0 H THR A 33 9.808 -11.242 0.616 1.00 63.33 H new ATOM 0 HA THR A 33 10.796 -8.592 1.452 1.00 61.45 H new ATOM 0 HB THR A 33 8.097 -8.337 0.801 1.00 54.40 H new ATOM 0 HG1 THR A 33 7.999 -9.312 -1.328 1.00 31.53 H new ATOM 0 HG21 THR A 33 8.917 -7.111 -1.178 1.00 24.23 H new ATOM 0 HG22 THR A 33 9.872 -6.731 0.275 1.00 24.23 H new ATOM 0 HG23 THR A 33 10.525 -7.839 -0.955 1.00 24.23 H new ATOM 226 N ASP A 34 9.365 -10.596 3.266 1.00 61.02 N ATOM 227 CA ASP A 34 8.718 -10.869 4.544 1.00 23.14 C ATOM 228 C ASP A 34 9.018 -9.764 5.552 1.00 70.03 C ATOM 229 O ASP A 34 9.964 -8.992 5.400 1.00 44.43 O ATOM 230 CB ASP A 34 9.181 -12.219 5.096 1.00 11.34 C ATOM 231 CG ASP A 34 8.249 -13.351 4.714 1.00 22.20 C ATOM 232 OD1 ASP A 34 8.016 -13.545 3.502 1.00 43.11 O ATOM 233 OD2 ASP A 34 7.753 -14.045 5.626 1.00 21.04 O ATOM 0 H ASP A 34 9.922 -11.369 2.902 1.00 61.02 H new ATOM 0 HA ASP A 34 7.641 -10.903 4.378 1.00 23.14 H new ATOM 0 HB2 ASP A 34 10.183 -12.436 4.725 1.00 11.34 H new ATOM 0 HB3 ASP A 34 9.250 -12.160 6.182 1.00 11.34 H new ATOM 238 N PRO A 35 8.192 -9.683 6.605 1.00 33.40 N ATOM 239 CA PRO A 35 8.348 -8.676 7.658 1.00 14.22 C ATOM 240 C PRO A 35 9.581 -8.923 8.520 1.00 63.31 C ATOM 241 O PRO A 35 10.084 -10.044 8.594 1.00 71.41 O ATOM 242 CB PRO A 35 7.073 -8.834 8.491 1.00 12.22 C ATOM 243 CG PRO A 35 6.642 -10.240 8.261 1.00 34.32 C ATOM 244 CD PRO A 35 7.042 -10.571 6.850 1.00 5.04 C ATOM 0 HA PRO A 35 8.485 -7.676 7.247 1.00 14.22 H new ATOM 0 HB2 PRO A 35 7.265 -8.647 9.548 1.00 12.22 H new ATOM 0 HB3 PRO A 35 6.305 -8.128 8.176 1.00 12.22 H new ATOM 0 HG2 PRO A 35 7.120 -10.916 8.971 1.00 34.32 H new ATOM 0 HG3 PRO A 35 5.566 -10.345 8.396 1.00 34.32 H new ATOM 0 HD2 PRO A 35 7.315 -11.621 6.745 1.00 5.04 H new ATOM 0 HD3 PRO A 35 6.231 -10.381 6.147 1.00 5.04 H new ATOM 252 N VAL A 36 10.064 -7.870 9.171 1.00 50.11 N ATOM 253 CA VAL A 36 11.238 -7.973 10.029 1.00 21.13 C ATOM 254 C VAL A 36 11.046 -7.186 11.321 1.00 72.23 C ATOM 255 O VAL A 36 10.057 -6.470 11.482 1.00 42.01 O ATOM 256 CB VAL A 36 12.502 -7.464 9.314 1.00 44.41 C ATOM 257 CG1 VAL A 36 13.061 -8.534 8.388 1.00 10.21 C ATOM 258 CG2 VAL A 36 12.201 -6.185 8.544 1.00 25.43 C ATOM 0 H VAL A 36 9.660 -6.935 9.120 1.00 50.11 H new ATOM 0 HA VAL A 36 11.364 -9.029 10.266 1.00 21.13 H new ATOM 0 HB VAL A 36 13.257 -7.239 10.067 1.00 44.41 H new ATOM 0 HG11 VAL A 36 13.954 -8.155 7.892 1.00 10.21 H new ATOM 0 HG12 VAL A 36 13.317 -9.420 8.969 1.00 10.21 H new ATOM 0 HG13 VAL A 36 12.313 -8.794 7.639 1.00 10.21 H new ATOM 0 HG21 VAL A 36 13.106 -5.839 8.045 1.00 25.43 H new ATOM 0 HG22 VAL A 36 11.429 -6.381 7.800 1.00 25.43 H new ATOM 0 HG23 VAL A 36 11.852 -5.418 9.235 1.00 25.43 H new ATOM 268 N SER A 37 11.997 -7.324 12.239 1.00 74.04 N ATOM 269 CA SER A 37 11.932 -6.629 13.518 1.00 15.01 C ATOM 270 C SER A 37 12.551 -5.238 13.414 1.00 70.52 C ATOM 271 O SER A 37 12.801 -4.580 14.424 1.00 60.10 O ATOM 272 CB SER A 37 12.648 -7.438 14.600 1.00 21.03 C ATOM 273 OG SER A 37 11.866 -7.518 15.779 1.00 23.55 O ATOM 0 H SER A 37 12.822 -7.912 12.120 1.00 74.04 H new ATOM 0 HA SER A 37 10.882 -6.521 13.790 1.00 15.01 H new ATOM 0 HB2 SER A 37 12.857 -8.442 14.230 1.00 21.03 H new ATOM 0 HB3 SER A 37 13.609 -6.976 14.828 1.00 21.03 H new ATOM 0 HG SER A 37 12.058 -8.360 16.243 1.00 23.55 H new ATOM 279 N ASP A 38 12.796 -4.798 12.184 1.00 33.45 N ATOM 280 CA ASP A 38 13.386 -3.486 11.945 1.00 34.32 C ATOM 281 C ASP A 38 14.836 -3.448 12.416 1.00 15.33 C ATOM 282 O ASP A 38 15.140 -2.905 13.478 1.00 20.34 O ATOM 283 CB ASP A 38 12.576 -2.402 12.660 1.00 61.41 C ATOM 284 CG ASP A 38 12.723 -1.043 12.004 1.00 4.42 C ATOM 285 OD1 ASP A 38 11.802 -0.637 11.264 1.00 23.14 O ATOM 286 OD2 ASP A 38 13.760 -0.384 12.231 1.00 73.22 O ATOM 0 H ASP A 38 12.595 -5.331 11.338 1.00 33.45 H new ATOM 0 HA ASP A 38 13.367 -3.296 10.872 1.00 34.32 H new ATOM 0 HB2 ASP A 38 11.524 -2.686 12.670 1.00 61.41 H new ATOM 0 HB3 ASP A 38 12.898 -2.338 13.699 1.00 61.41 H new ATOM 291 N ILE A 39 15.726 -4.028 11.619 1.00 71.42 N ATOM 292 CA ILE A 39 17.145 -4.061 11.954 1.00 10.21 C ATOM 293 C ILE A 39 18.002 -3.666 10.756 1.00 74.42 C ATOM 294 O ILE A 39 17.488 -3.201 9.738 1.00 33.12 O ATOM 295 CB ILE A 39 17.576 -5.457 12.442 1.00 14.54 C ATOM 296 CG1 ILE A 39 16.437 -6.461 12.255 1.00 3.21 C ATOM 297 CG2 ILE A 39 18.003 -5.398 13.901 1.00 65.02 C ATOM 298 CD1 ILE A 39 16.768 -7.849 12.755 1.00 22.23 C ATOM 0 H ILE A 39 15.490 -4.482 10.736 1.00 71.42 H new ATOM 0 HA ILE A 39 17.296 -3.341 12.759 1.00 10.21 H new ATOM 0 HB ILE A 39 18.427 -5.788 11.847 1.00 14.54 H new ATOM 0 HG12 ILE A 39 15.553 -6.097 12.778 1.00 3.21 H new ATOM 0 HG13 ILE A 39 16.182 -6.516 11.197 1.00 3.21 H new ATOM 0 HG21 ILE A 39 18.305 -6.392 14.232 1.00 65.02 H new ATOM 0 HG22 ILE A 39 18.842 -4.710 14.007 1.00 65.02 H new ATOM 0 HG23 ILE A 39 17.169 -5.050 14.510 1.00 65.02 H new ATOM 0 HD11 ILE A 39 15.915 -8.508 12.590 1.00 22.23 H new ATOM 0 HD12 ILE A 39 17.633 -8.233 12.215 1.00 22.23 H new ATOM 0 HD13 ILE A 39 16.994 -7.808 13.820 1.00 22.23 H new ATOM 310 N ASP A 40 19.310 -3.859 10.883 1.00 43.42 N ATOM 311 CA ASP A 40 20.239 -3.525 9.809 1.00 64.52 C ATOM 312 C ASP A 40 19.732 -4.049 8.469 1.00 34.10 C ATOM 313 O ASP A 40 19.907 -5.222 8.143 1.00 52.15 O ATOM 314 CB ASP A 40 21.623 -4.106 10.106 1.00 3.03 C ATOM 315 CG ASP A 40 22.327 -3.375 11.233 1.00 62.53 C ATOM 316 OD1 ASP A 40 23.067 -2.411 10.945 1.00 24.52 O ATOM 317 OD2 ASP A 40 22.138 -3.769 12.403 1.00 53.40 O ATOM 0 H ASP A 40 19.751 -4.245 11.718 1.00 43.42 H new ATOM 0 HA ASP A 40 20.313 -2.439 9.750 1.00 64.52 H new ATOM 0 HB2 ASP A 40 21.523 -5.160 10.366 1.00 3.03 H new ATOM 0 HB3 ASP A 40 22.236 -4.057 9.206 1.00 3.03 H new ATOM 322 N VAL A 41 19.100 -3.170 7.698 1.00 53.45 N ATOM 323 CA VAL A 41 18.566 -3.543 6.393 1.00 12.14 C ATOM 324 C VAL A 41 19.674 -4.024 5.463 1.00 2.22 C ATOM 325 O VAL A 41 19.512 -5.010 4.743 1.00 53.31 O ATOM 326 CB VAL A 41 17.830 -2.362 5.730 1.00 21.41 C ATOM 327 CG1 VAL A 41 17.348 -2.748 4.340 1.00 43.12 C ATOM 328 CG2 VAL A 41 16.669 -1.904 6.598 1.00 33.31 C ATOM 0 H VAL A 41 18.945 -2.195 7.954 1.00 53.45 H new ATOM 0 HA VAL A 41 17.858 -4.355 6.560 1.00 12.14 H new ATOM 0 HB VAL A 41 18.528 -1.531 5.629 1.00 21.41 H new ATOM 0 HG11 VAL A 41 16.831 -1.903 3.887 1.00 43.12 H new ATOM 0 HG12 VAL A 41 18.203 -3.024 3.722 1.00 43.12 H new ATOM 0 HG13 VAL A 41 16.665 -3.594 4.414 1.00 43.12 H new ATOM 0 HG21 VAL A 41 16.161 -1.070 6.115 1.00 33.31 H new ATOM 0 HG22 VAL A 41 15.968 -2.728 6.732 1.00 33.31 H new ATOM 0 HG23 VAL A 41 17.045 -1.586 7.570 1.00 33.31 H new ATOM 338 N THR A 42 20.803 -3.321 5.483 1.00 72.42 N ATOM 339 CA THR A 42 21.938 -3.676 4.642 1.00 45.02 C ATOM 340 C THR A 42 22.526 -5.022 5.049 1.00 3.32 C ATOM 341 O THR A 42 23.270 -5.641 4.289 1.00 24.54 O ATOM 342 CB THR A 42 23.044 -2.604 4.709 1.00 70.52 C ATOM 343 OG1 THR A 42 23.113 -2.055 6.030 1.00 51.25 O ATOM 344 CG2 THR A 42 22.781 -1.493 3.704 1.00 1.35 C ATOM 0 H THR A 42 20.955 -2.503 6.073 1.00 72.42 H new ATOM 0 HA THR A 42 21.565 -3.740 3.620 1.00 45.02 H new ATOM 0 HB THR A 42 23.995 -3.076 4.463 1.00 70.52 H new ATOM 0 HG1 THR A 42 23.819 -1.376 6.066 1.00 51.25 H new ATOM 0 HG21 THR A 42 23.574 -0.748 3.769 1.00 1.35 H new ATOM 0 HG22 THR A 42 22.758 -1.911 2.698 1.00 1.35 H new ATOM 0 HG23 THR A 42 21.823 -1.023 3.924 1.00 1.35 H new ATOM 352 N ARG A 43 22.186 -5.470 6.254 1.00 21.02 N ATOM 353 CA ARG A 43 22.682 -6.744 6.762 1.00 31.34 C ATOM 354 C ARG A 43 21.525 -7.675 7.114 1.00 4.04 C ATOM 355 O ARG A 43 21.507 -8.282 8.185 1.00 20.14 O ATOM 356 CB ARG A 43 23.561 -6.518 7.994 1.00 73.35 C ATOM 357 CG ARG A 43 24.825 -5.726 7.703 1.00 60.35 C ATOM 358 CD ARG A 43 25.054 -4.640 8.742 1.00 32.43 C ATOM 359 NE ARG A 43 26.464 -4.519 9.104 1.00 14.33 N ATOM 360 CZ ARG A 43 26.890 -3.891 10.195 1.00 20.00 C ATOM 361 NH1 ARG A 43 26.020 -3.332 11.026 1.00 62.44 N ATOM 362 NH2 ARG A 43 28.189 -3.823 10.457 1.00 3.55 N ATOM 0 H ARG A 43 21.570 -4.970 6.896 1.00 21.02 H new ATOM 0 HA ARG A 43 23.278 -7.212 5.979 1.00 31.34 H new ATOM 0 HB2 ARG A 43 22.980 -5.994 8.753 1.00 73.35 H new ATOM 0 HB3 ARG A 43 23.837 -7.485 8.415 1.00 73.35 H new ATOM 0 HG2 ARG A 43 25.682 -6.400 7.685 1.00 60.35 H new ATOM 0 HG3 ARG A 43 24.753 -5.275 6.713 1.00 60.35 H new ATOM 0 HD2 ARG A 43 24.696 -3.686 8.355 1.00 32.43 H new ATOM 0 HD3 ARG A 43 24.468 -4.862 9.634 1.00 32.43 H new ATOM 0 HE ARG A 43 27.159 -4.939 8.486 1.00 14.33 H new ATOM 0 HH11 ARG A 43 25.021 -3.383 10.828 1.00 62.44 H new ATOM 0 HH12 ARG A 43 26.350 -2.851 11.862 1.00 62.44 H new ATOM 0 HH21 ARG A 43 28.861 -4.253 9.821 1.00 3.55 H new ATOM 0 HH22 ARG A 43 28.516 -3.341 11.294 1.00 3.55 H new ATOM 376 N ARG A 44 20.561 -7.782 6.205 1.00 32.22 N ATOM 377 CA ARG A 44 19.401 -8.638 6.420 1.00 33.23 C ATOM 378 C ARG A 44 19.830 -10.044 6.829 1.00 54.21 C ATOM 379 O ARG A 44 19.195 -10.675 7.674 1.00 3.13 O ATOM 380 CB ARG A 44 18.547 -8.702 5.153 1.00 75.23 C ATOM 381 CG ARG A 44 17.317 -9.585 5.291 1.00 13.44 C ATOM 382 CD ARG A 44 16.040 -8.760 5.340 1.00 2.43 C ATOM 383 NE ARG A 44 15.364 -8.720 4.047 1.00 74.24 N ATOM 384 CZ ARG A 44 14.484 -7.786 3.705 1.00 34.11 C ATOM 385 NH1 ARG A 44 14.177 -6.817 4.557 1.00 34.24 N ATOM 386 NH2 ARG A 44 13.909 -7.818 2.510 1.00 44.32 N ATOM 0 H ARG A 44 20.561 -7.287 5.313 1.00 32.22 H new ATOM 0 HA ARG A 44 18.809 -8.209 7.228 1.00 33.23 H new ATOM 0 HB2 ARG A 44 18.232 -7.693 4.886 1.00 75.23 H new ATOM 0 HB3 ARG A 44 19.159 -9.072 4.331 1.00 75.23 H new ATOM 0 HG2 ARG A 44 17.271 -10.279 4.452 1.00 13.44 H new ATOM 0 HG3 ARG A 44 17.399 -10.185 6.197 1.00 13.44 H new ATOM 0 HD2 ARG A 44 15.367 -9.178 6.088 1.00 2.43 H new ATOM 0 HD3 ARG A 44 16.277 -7.744 5.657 1.00 2.43 H new ATOM 0 HE ARG A 44 15.580 -9.450 3.368 1.00 74.24 H new ATOM 0 HH11 ARG A 44 14.617 -6.788 5.477 1.00 34.24 H new ATOM 0 HH12 ARG A 44 13.501 -6.101 4.292 1.00 34.24 H new ATOM 0 HH21 ARG A 44 14.142 -8.561 1.851 1.00 44.32 H new ATOM 0 HH22 ARG A 44 13.233 -7.100 2.250 1.00 44.32 H new ATOM 400 N GLU A 45 20.909 -10.528 6.223 1.00 11.21 N ATOM 401 CA GLU A 45 21.421 -11.859 6.524 1.00 71.24 C ATOM 402 C GLU A 45 21.723 -12.002 8.012 1.00 20.35 C ATOM 403 O GLU A 45 21.614 -13.091 8.577 1.00 70.34 O ATOM 404 CB GLU A 45 22.684 -12.140 5.707 1.00 65.42 C ATOM 405 CG GLU A 45 23.900 -11.359 6.177 1.00 61.35 C ATOM 406 CD GLU A 45 23.783 -9.874 5.896 1.00 11.23 C ATOM 407 OE1 GLU A 45 24.385 -9.079 6.649 1.00 60.42 O ATOM 408 OE2 GLU A 45 23.090 -9.506 4.925 1.00 21.24 O ATOM 0 H GLU A 45 21.445 -10.018 5.521 1.00 11.21 H new ATOM 0 HA GLU A 45 20.654 -12.585 6.255 1.00 71.24 H new ATOM 0 HB2 GLU A 45 22.907 -13.206 5.754 1.00 65.42 H new ATOM 0 HB3 GLU A 45 22.491 -11.900 4.661 1.00 65.42 H new ATOM 0 HG2 GLU A 45 24.035 -11.513 7.248 1.00 61.35 H new ATOM 0 HG3 GLU A 45 24.791 -11.749 5.684 1.00 61.35 H new ATOM 415 N ALA A 46 22.102 -10.896 8.643 1.00 72.33 N ATOM 416 CA ALA A 46 22.418 -10.897 10.065 1.00 3.03 C ATOM 417 C ALA A 46 21.167 -11.130 10.905 1.00 15.23 C ATOM 418 O ALA A 46 21.253 -11.420 12.099 1.00 43.22 O ATOM 419 CB ALA A 46 23.085 -9.587 10.459 1.00 22.33 C ATOM 0 H ALA A 46 22.198 -9.987 8.191 1.00 72.33 H new ATOM 0 HA ALA A 46 23.111 -11.716 10.257 1.00 3.03 H new ATOM 0 HB1 ALA A 46 23.315 -9.602 11.524 1.00 22.33 H new ATOM 0 HB2 ALA A 46 24.006 -9.462 9.890 1.00 22.33 H new ATOM 0 HB3 ALA A 46 22.412 -8.757 10.245 1.00 22.33 H new ATOM 425 N TYR A 47 20.004 -11.000 10.275 1.00 5.52 N ATOM 426 CA TYR A 47 18.735 -11.192 10.967 1.00 53.34 C ATOM 427 C TYR A 47 18.609 -12.621 11.486 1.00 53.33 C ATOM 428 O TYR A 47 17.737 -12.923 12.302 1.00 51.12 O ATOM 429 CB TYR A 47 17.567 -10.872 10.031 1.00 64.13 C ATOM 430 CG TYR A 47 17.513 -9.423 9.604 1.00 44.52 C ATOM 431 CD1 TYR A 47 16.574 -8.986 8.677 1.00 60.52 C ATOM 432 CD2 TYR A 47 18.400 -8.490 10.127 1.00 74.32 C ATOM 433 CE1 TYR A 47 16.520 -7.663 8.284 1.00 64.05 C ATOM 434 CE2 TYR A 47 18.353 -7.165 9.740 1.00 3.25 C ATOM 435 CZ TYR A 47 17.412 -6.756 8.818 1.00 22.12 C ATOM 436 OH TYR A 47 17.362 -5.437 8.429 1.00 0.23 O ATOM 0 H TYR A 47 19.914 -10.763 9.287 1.00 5.52 H new ATOM 0 HA TYR A 47 18.707 -10.512 11.818 1.00 53.34 H new ATOM 0 HB2 TYR A 47 17.640 -11.501 9.144 1.00 64.13 H new ATOM 0 HB3 TYR A 47 16.632 -11.131 10.529 1.00 64.13 H new ATOM 0 HD1 TYR A 47 15.874 -9.693 8.257 1.00 60.52 H new ATOM 0 HD2 TYR A 47 19.139 -8.806 10.848 1.00 74.32 H new ATOM 0 HE1 TYR A 47 15.784 -7.340 7.563 1.00 64.05 H new ATOM 0 HE2 TYR A 47 19.049 -6.453 10.157 1.00 3.25 H new ATOM 0 HH TYR A 47 16.483 -5.064 8.648 1.00 0.23 H new ATOM 446 N LEU A 48 19.485 -13.497 11.007 1.00 43.02 N ATOM 447 CA LEU A 48 19.474 -14.895 11.423 1.00 50.34 C ATOM 448 C LEU A 48 20.266 -15.087 12.712 1.00 51.32 C ATOM 449 O LEU A 48 21.141 -14.284 13.039 1.00 33.33 O ATOM 450 CB LEU A 48 20.055 -15.781 10.318 1.00 52.31 C ATOM 451 CG LEU A 48 19.065 -16.706 9.609 1.00 13.41 C ATOM 452 CD1 LEU A 48 19.720 -17.369 8.408 1.00 32.31 C ATOM 453 CD2 LEU A 48 18.529 -17.753 10.574 1.00 63.12 C ATOM 0 H LEU A 48 20.212 -13.264 10.330 1.00 43.02 H new ATOM 0 HA LEU A 48 18.440 -15.185 11.608 1.00 50.34 H new ATOM 0 HB2 LEU A 48 20.519 -15.138 9.571 1.00 52.31 H new ATOM 0 HB3 LEU A 48 20.848 -16.392 10.749 1.00 52.31 H new ATOM 0 HG LEU A 48 18.227 -16.106 9.254 1.00 13.41 H new ATOM 0 HD11 LEU A 48 19.000 -18.023 7.916 1.00 32.31 H new ATOM 0 HD12 LEU A 48 20.053 -16.604 7.707 1.00 32.31 H new ATOM 0 HD13 LEU A 48 20.577 -17.956 8.739 1.00 32.31 H new ATOM 0 HD21 LEU A 48 17.826 -18.403 10.052 1.00 63.12 H new ATOM 0 HD22 LEU A 48 19.356 -18.349 10.960 1.00 63.12 H new ATOM 0 HD23 LEU A 48 18.021 -17.259 11.402 1.00 63.12 H new ATOM 465 N SER A 49 19.955 -16.155 13.438 1.00 64.30 N ATOM 466 CA SER A 49 20.637 -16.451 14.693 1.00 31.02 C ATOM 467 C SER A 49 22.117 -16.735 14.454 1.00 72.52 C ATOM 468 O SER A 49 22.505 -17.199 13.382 1.00 72.41 O ATOM 469 CB SER A 49 19.981 -17.648 15.384 1.00 20.03 C ATOM 470 OG SER A 49 18.710 -17.302 15.908 1.00 41.34 O ATOM 0 H SER A 49 19.235 -16.830 13.179 1.00 64.30 H new ATOM 0 HA SER A 49 20.553 -15.577 15.339 1.00 31.02 H new ATOM 0 HB2 SER A 49 19.874 -18.468 14.674 1.00 20.03 H new ATOM 0 HB3 SER A 49 20.624 -18.005 16.188 1.00 20.03 H new ATOM 0 HG SER A 49 18.311 -18.085 16.343 1.00 41.34 H new ATOM 476 N SER A 50 22.938 -16.453 15.460 1.00 34.20 N ATOM 477 CA SER A 50 24.375 -16.675 15.359 1.00 11.23 C ATOM 478 C SER A 50 24.675 -18.102 14.911 1.00 11.52 C ATOM 479 O SER A 50 25.694 -18.362 14.273 1.00 21.23 O ATOM 480 CB SER A 50 25.051 -16.397 16.703 1.00 22.43 C ATOM 481 OG SER A 50 24.379 -17.063 17.759 1.00 14.40 O ATOM 0 H SER A 50 22.632 -16.070 16.355 1.00 34.20 H new ATOM 0 HA SER A 50 24.772 -15.988 14.612 1.00 11.23 H new ATOM 0 HB2 SER A 50 26.090 -16.724 16.666 1.00 22.43 H new ATOM 0 HB3 SER A 50 25.061 -15.324 16.894 1.00 22.43 H new ATOM 0 HG SER A 50 24.831 -16.871 18.607 1.00 14.40 H new ATOM 487 N GLU A 51 23.778 -19.023 15.251 1.00 44.13 N ATOM 488 CA GLU A 51 23.947 -20.425 14.885 1.00 13.52 C ATOM 489 C GLU A 51 23.621 -20.645 13.410 1.00 41.31 C ATOM 490 O GLU A 51 24.458 -21.118 12.643 1.00 61.20 O ATOM 491 CB GLU A 51 23.054 -21.313 15.753 1.00 5.23 C ATOM 492 CG GLU A 51 23.157 -21.011 17.239 1.00 11.42 C ATOM 493 CD GLU A 51 22.130 -21.765 18.060 1.00 33.11 C ATOM 494 OE1 GLU A 51 22.372 -22.951 18.369 1.00 60.34 O ATOM 495 OE2 GLU A 51 21.084 -21.170 18.395 1.00 70.11 O ATOM 0 H GLU A 51 22.928 -18.824 15.779 1.00 44.13 H new ATOM 0 HA GLU A 51 24.990 -20.695 15.054 1.00 13.52 H new ATOM 0 HB2 GLU A 51 22.018 -21.192 15.437 1.00 5.23 H new ATOM 0 HB3 GLU A 51 23.319 -22.357 15.584 1.00 5.23 H new ATOM 0 HG2 GLU A 51 24.157 -21.268 17.590 1.00 11.42 H new ATOM 0 HG3 GLU A 51 23.029 -19.940 17.398 1.00 11.42 H new ATOM 502 N GLU A 52 22.398 -20.297 13.022 1.00 12.14 N ATOM 503 CA GLU A 52 21.961 -20.458 11.640 1.00 32.34 C ATOM 504 C GLU A 52 22.813 -19.613 10.699 1.00 74.31 C ATOM 505 O GLU A 52 23.361 -20.118 9.718 1.00 52.42 O ATOM 506 CB GLU A 52 20.487 -20.070 11.500 1.00 4.20 C ATOM 507 CG GLU A 52 19.525 -21.150 11.967 1.00 2.12 C ATOM 508 CD GLU A 52 18.117 -20.942 11.445 1.00 45.43 C ATOM 509 OE1 GLU A 52 17.715 -21.676 10.519 1.00 71.24 O ATOM 510 OE2 GLU A 52 17.417 -20.046 11.963 1.00 25.41 O ATOM 0 H GLU A 52 21.693 -19.902 13.644 1.00 12.14 H new ATOM 0 HA GLU A 52 22.081 -21.506 11.367 1.00 32.34 H new ATOM 0 HB2 GLU A 52 20.304 -19.160 12.072 1.00 4.20 H new ATOM 0 HB3 GLU A 52 20.279 -19.837 10.456 1.00 4.20 H new ATOM 0 HG2 GLU A 52 19.890 -22.123 11.639 1.00 2.12 H new ATOM 0 HG3 GLU A 52 19.506 -21.168 13.057 1.00 2.12 H new ATOM 517 N PHE A 53 22.919 -18.324 11.002 1.00 3.22 N ATOM 518 CA PHE A 53 23.704 -17.407 10.183 1.00 32.24 C ATOM 519 C PHE A 53 25.100 -17.967 9.925 1.00 10.55 C ATOM 520 O PHE A 53 25.517 -18.122 8.777 1.00 64.20 O ATOM 521 CB PHE A 53 23.807 -16.041 10.865 1.00 73.54 C ATOM 522 CG PHE A 53 24.890 -15.169 10.297 1.00 0.31 C ATOM 523 CD1 PHE A 53 26.195 -15.280 10.751 1.00 62.04 C ATOM 524 CD2 PHE A 53 24.604 -14.238 9.312 1.00 74.32 C ATOM 525 CE1 PHE A 53 27.195 -14.479 10.231 1.00 11.20 C ATOM 526 CE2 PHE A 53 25.599 -13.435 8.788 1.00 3.13 C ATOM 527 CZ PHE A 53 26.896 -13.555 9.250 1.00 52.14 C ATOM 0 H PHE A 53 22.471 -17.890 11.809 1.00 3.22 H new ATOM 0 HA PHE A 53 23.197 -17.289 9.225 1.00 32.24 H new ATOM 0 HB2 PHE A 53 22.851 -15.525 10.774 1.00 73.54 H new ATOM 0 HB3 PHE A 53 23.990 -16.188 11.929 1.00 73.54 H new ATOM 0 HD1 PHE A 53 26.433 -16.000 11.520 1.00 62.04 H new ATOM 0 HD2 PHE A 53 23.592 -14.139 8.949 1.00 74.32 H new ATOM 0 HE1 PHE A 53 28.208 -14.576 10.592 1.00 11.20 H new ATOM 0 HE2 PHE A 53 25.363 -12.715 8.019 1.00 3.13 H new ATOM 0 HZ PHE A 53 27.675 -12.927 8.844 1.00 52.14 H new ATOM 537 N LYS A 54 25.818 -18.267 11.002 1.00 4.31 N ATOM 538 CA LYS A 54 27.168 -18.809 10.896 1.00 73.13 C ATOM 539 C LYS A 54 27.146 -20.203 10.277 1.00 52.41 C ATOM 540 O LYS A 54 28.139 -20.654 9.707 1.00 2.34 O ATOM 541 CB LYS A 54 27.829 -18.862 12.275 1.00 52.00 C ATOM 542 CG LYS A 54 27.584 -20.164 13.016 1.00 20.23 C ATOM 543 CD LYS A 54 28.695 -21.169 12.760 1.00 35.10 C ATOM 544 CE LYS A 54 28.153 -22.588 12.674 1.00 24.35 C ATOM 545 NZ LYS A 54 28.413 -23.357 13.922 1.00 24.50 N ATOM 0 H LYS A 54 25.487 -18.144 11.959 1.00 4.31 H new ATOM 0 HA LYS A 54 27.747 -18.151 10.248 1.00 73.13 H new ATOM 0 HB2 LYS A 54 28.903 -18.716 12.160 1.00 52.00 H new ATOM 0 HB3 LYS A 54 27.457 -18.034 12.879 1.00 52.00 H new ATOM 0 HG2 LYS A 54 27.510 -19.967 14.085 1.00 20.23 H new ATOM 0 HG3 LYS A 54 26.630 -20.588 12.703 1.00 20.23 H new ATOM 0 HD2 LYS A 54 29.208 -20.917 11.832 1.00 35.10 H new ATOM 0 HD3 LYS A 54 29.434 -21.108 13.559 1.00 35.10 H new ATOM 0 HE2 LYS A 54 27.080 -22.556 12.484 1.00 24.35 H new ATOM 0 HE3 LYS A 54 28.611 -23.101 11.829 1.00 24.35 H new ATOM 0 HZ1 LYS A 54 28.029 -24.318 13.824 1.00 24.50 H new ATOM 0 HZ2 LYS A 54 29.438 -23.409 14.090 1.00 24.50 H new ATOM 0 HZ3 LYS A 54 27.954 -22.881 14.725 1.00 24.50 H new ATOM 559 N GLU A 55 26.007 -20.880 10.391 1.00 14.32 N ATOM 560 CA GLU A 55 25.857 -22.221 9.842 1.00 64.33 C ATOM 561 C GLU A 55 25.680 -22.173 8.327 1.00 35.11 C ATOM 562 O GLU A 55 25.998 -23.130 7.621 1.00 21.41 O ATOM 563 CB GLU A 55 24.662 -22.930 10.485 1.00 45.35 C ATOM 564 CG GLU A 55 24.307 -24.248 9.817 1.00 11.45 C ATOM 565 CD GLU A 55 23.907 -25.317 10.816 1.00 31.52 C ATOM 566 OE1 GLU A 55 24.502 -26.414 10.779 1.00 73.51 O ATOM 567 OE2 GLU A 55 23.000 -25.056 11.635 1.00 4.10 O ATOM 0 H GLU A 55 25.175 -20.521 10.859 1.00 14.32 H new ATOM 0 HA GLU A 55 26.765 -22.781 10.066 1.00 64.33 H new ATOM 0 HB2 GLU A 55 24.881 -23.113 11.537 1.00 45.35 H new ATOM 0 HB3 GLU A 55 23.796 -22.269 10.450 1.00 45.35 H new ATOM 0 HG2 GLU A 55 23.489 -24.087 9.115 1.00 11.45 H new ATOM 0 HG3 GLU A 55 25.160 -24.599 9.237 1.00 11.45 H new ATOM 574 N LYS A 56 25.168 -21.050 7.834 1.00 71.45 N ATOM 575 CA LYS A 56 24.947 -20.874 6.402 1.00 4.24 C ATOM 576 C LYS A 56 26.146 -20.195 5.747 1.00 13.53 C ATOM 577 O LYS A 56 26.452 -20.443 4.580 1.00 33.15 O ATOM 578 CB LYS A 56 23.683 -20.047 6.160 1.00 71.45 C ATOM 579 CG LYS A 56 22.463 -20.888 5.820 1.00 45.12 C ATOM 580 CD LYS A 56 22.182 -21.923 6.896 1.00 4.32 C ATOM 581 CE LYS A 56 20.725 -22.355 6.887 1.00 35.05 C ATOM 582 NZ LYS A 56 20.584 -23.837 6.943 1.00 3.40 N ATOM 0 H LYS A 56 24.898 -20.248 8.404 1.00 71.45 H new ATOM 0 HA LYS A 56 24.821 -21.859 5.954 1.00 4.24 H new ATOM 0 HB2 LYS A 56 23.470 -19.455 7.050 1.00 71.45 H new ATOM 0 HB3 LYS A 56 23.868 -19.345 5.347 1.00 71.45 H new ATOM 0 HG2 LYS A 56 21.595 -20.240 5.702 1.00 45.12 H new ATOM 0 HG3 LYS A 56 22.620 -21.389 4.864 1.00 45.12 H new ATOM 0 HD2 LYS A 56 22.821 -22.792 6.742 1.00 4.32 H new ATOM 0 HD3 LYS A 56 22.434 -21.511 7.873 1.00 4.32 H new ATOM 0 HE2 LYS A 56 20.209 -21.909 7.737 1.00 35.05 H new ATOM 0 HE3 LYS A 56 20.240 -21.978 5.986 1.00 35.05 H new ATOM 0 HZ1 LYS A 56 19.575 -24.090 6.935 1.00 3.40 H new ATOM 0 HZ2 LYS A 56 21.054 -24.262 6.118 1.00 3.40 H new ATOM 0 HZ3 LYS A 56 21.024 -24.195 7.815 1.00 3.40 H new ATOM 596 N PHE A 57 26.821 -19.336 6.505 1.00 63.54 N ATOM 597 CA PHE A 57 27.986 -18.621 5.997 1.00 3.33 C ATOM 598 C PHE A 57 29.278 -19.282 6.469 1.00 22.51 C ATOM 599 O PHE A 57 30.351 -19.034 5.921 1.00 53.41 O ATOM 600 CB PHE A 57 27.952 -17.160 6.451 1.00 21.22 C ATOM 601 CG PHE A 57 26.789 -16.388 5.897 1.00 13.40 C ATOM 602 CD1 PHE A 57 26.700 -16.121 4.540 1.00 3.02 C ATOM 603 CD2 PHE A 57 25.785 -15.927 6.733 1.00 33.55 C ATOM 604 CE1 PHE A 57 25.631 -15.410 4.027 1.00 62.33 C ATOM 605 CE2 PHE A 57 24.713 -15.217 6.226 1.00 3.30 C ATOM 606 CZ PHE A 57 24.637 -14.957 4.871 1.00 1.54 C ATOM 0 H PHE A 57 26.581 -19.119 7.472 1.00 63.54 H new ATOM 0 HA PHE A 57 27.957 -18.657 4.908 1.00 3.33 H new ATOM 0 HB2 PHE A 57 27.914 -17.127 7.540 1.00 21.22 H new ATOM 0 HB3 PHE A 57 28.879 -16.672 6.149 1.00 21.22 H new ATOM 0 HD1 PHE A 57 27.475 -16.473 3.875 1.00 3.02 H new ATOM 0 HD2 PHE A 57 25.841 -16.125 7.793 1.00 33.55 H new ATOM 0 HE1 PHE A 57 25.574 -15.209 2.967 1.00 62.33 H new ATOM 0 HE2 PHE A 57 23.936 -14.866 6.888 1.00 3.30 H new ATOM 0 HZ PHE A 57 23.801 -14.400 4.473 1.00 1.54 H new ATOM 616 N GLY A 58 29.166 -20.126 7.490 1.00 13.43 N ATOM 617 CA GLY A 58 30.331 -20.809 8.020 1.00 12.11 C ATOM 618 C GLY A 58 31.092 -19.965 9.023 1.00 44.22 C ATOM 619 O GLY A 58 32.017 -20.448 9.676 1.00 45.51 O ATOM 0 H GLY A 58 28.288 -20.349 7.960 1.00 13.43 H new ATOM 0 HA2 GLY A 58 30.018 -21.739 8.495 1.00 12.11 H new ATOM 0 HA3 GLY A 58 30.995 -21.079 7.199 1.00 12.11 H new ATOM 623 N MET A 59 30.703 -18.699 9.146 1.00 61.33 N ATOM 624 CA MET A 59 31.356 -17.787 10.076 1.00 3.33 C ATOM 625 C MET A 59 30.326 -16.999 10.879 1.00 34.43 C ATOM 626 O MET A 59 29.296 -16.583 10.348 1.00 54.33 O ATOM 627 CB MET A 59 32.274 -16.824 9.320 1.00 24.20 C ATOM 628 CG MET A 59 32.913 -17.438 8.085 1.00 11.20 C ATOM 629 SD MET A 59 34.397 -16.558 7.561 1.00 63.44 S ATOM 630 CE MET A 59 35.660 -17.772 7.936 1.00 42.12 C ATOM 0 H MET A 59 29.939 -18.283 8.613 1.00 61.33 H new ATOM 0 HA MET A 59 31.954 -18.381 10.768 1.00 3.33 H new ATOM 0 HB2 MET A 59 31.701 -15.945 9.024 1.00 24.20 H new ATOM 0 HB3 MET A 59 33.060 -16.480 9.993 1.00 24.20 H new ATOM 0 HG2 MET A 59 33.166 -18.478 8.290 1.00 11.20 H new ATOM 0 HG3 MET A 59 32.190 -17.441 7.270 1.00 11.20 H new ATOM 0 HE1 MET A 59 36.638 -17.374 7.667 1.00 42.12 H new ATOM 0 HE2 MET A 59 35.641 -17.999 9.002 1.00 42.12 H new ATOM 0 HE3 MET A 59 35.470 -18.682 7.368 1.00 42.12 H new ATOM 640 N THR A 60 30.608 -16.798 12.163 1.00 71.52 N ATOM 641 CA THR A 60 29.706 -16.063 13.039 1.00 73.22 C ATOM 642 C THR A 60 29.625 -14.595 12.638 1.00 55.25 C ATOM 643 O THR A 60 30.174 -14.189 11.613 1.00 41.02 O ATOM 644 CB THR A 60 30.149 -16.157 14.510 1.00 25.42 C ATOM 645 OG1 THR A 60 29.099 -15.700 15.369 1.00 33.21 O ATOM 646 CG2 THR A 60 31.404 -15.332 14.751 1.00 10.10 C ATOM 0 H THR A 60 31.456 -17.135 12.619 1.00 71.52 H new ATOM 0 HA THR A 60 28.722 -16.521 12.934 1.00 73.22 H new ATOM 0 HB THR A 60 30.371 -17.201 14.733 1.00 25.42 H new ATOM 0 HG1 THR A 60 29.394 -14.898 15.848 1.00 33.21 H new ATOM 0 HG21 THR A 60 31.698 -15.414 15.797 1.00 10.10 H new ATOM 0 HG22 THR A 60 32.210 -15.702 14.118 1.00 10.10 H new ATOM 0 HG23 THR A 60 31.205 -14.288 14.511 1.00 10.10 H new ATOM 654 N LYS A 61 28.937 -13.801 13.451 1.00 40.44 N ATOM 655 CA LYS A 61 28.786 -12.375 13.183 1.00 61.15 C ATOM 656 C LYS A 61 30.146 -11.689 13.109 1.00 40.22 C ATOM 657 O LYS A 61 30.470 -11.039 12.115 1.00 73.34 O ATOM 658 CB LYS A 61 27.930 -11.719 14.268 1.00 74.25 C ATOM 659 CG LYS A 61 26.552 -11.299 13.784 1.00 4.32 C ATOM 660 CD LYS A 61 25.902 -10.314 14.742 1.00 23.40 C ATOM 661 CE LYS A 61 25.125 -11.033 15.836 1.00 43.22 C ATOM 662 NZ LYS A 61 24.727 -10.106 16.932 1.00 72.31 N ATOM 0 H LYS A 61 28.474 -14.121 14.302 1.00 40.44 H new ATOM 0 HA LYS A 61 28.289 -12.262 12.220 1.00 61.15 H new ATOM 0 HB2 LYS A 61 27.818 -12.414 15.100 1.00 74.25 H new ATOM 0 HB3 LYS A 61 28.453 -10.844 14.652 1.00 74.25 H new ATOM 0 HG2 LYS A 61 26.634 -10.847 12.796 1.00 4.32 H new ATOM 0 HG3 LYS A 61 25.918 -12.179 13.680 1.00 4.32 H new ATOM 0 HD2 LYS A 61 26.668 -9.683 15.193 1.00 23.40 H new ATOM 0 HD3 LYS A 61 25.231 -9.656 14.190 1.00 23.40 H new ATOM 0 HE2 LYS A 61 24.234 -11.493 15.407 1.00 43.22 H new ATOM 0 HE3 LYS A 61 25.734 -11.839 16.245 1.00 43.22 H new ATOM 0 HZ1 LYS A 61 24.200 -10.632 17.658 1.00 72.31 H new ATOM 0 HZ2 LYS A 61 25.578 -9.686 17.358 1.00 72.31 H new ATOM 0 HZ3 LYS A 61 24.125 -9.351 16.546 1.00 72.31 H new ATOM 676 N GLU A 62 30.938 -11.838 14.166 1.00 43.24 N ATOM 677 CA GLU A 62 32.263 -11.232 14.218 1.00 22.40 C ATOM 678 C GLU A 62 33.145 -11.752 13.087 1.00 11.23 C ATOM 679 O GLU A 62 33.704 -10.975 12.315 1.00 62.02 O ATOM 680 CB GLU A 62 32.925 -11.517 15.568 1.00 63.34 C ATOM 681 CG GLU A 62 32.906 -10.331 16.519 1.00 62.44 C ATOM 682 CD GLU A 62 33.297 -10.712 17.933 1.00 73.10 C ATOM 683 OE1 GLU A 62 33.623 -9.800 18.723 1.00 31.45 O ATOM 684 OE2 GLU A 62 33.277 -11.919 18.251 1.00 72.43 O ATOM 0 H GLU A 62 30.685 -12.373 14.997 1.00 43.24 H new ATOM 0 HA GLU A 62 32.147 -10.155 14.098 1.00 22.40 H new ATOM 0 HB2 GLU A 62 32.419 -12.359 16.041 1.00 63.34 H new ATOM 0 HB3 GLU A 62 33.958 -11.820 15.399 1.00 63.34 H new ATOM 0 HG2 GLU A 62 33.588 -9.564 16.151 1.00 62.44 H new ATOM 0 HG3 GLU A 62 31.908 -9.893 16.527 1.00 62.44 H new ATOM 691 N ALA A 63 33.263 -13.073 12.996 1.00 2.42 N ATOM 692 CA ALA A 63 34.075 -13.697 11.959 1.00 32.10 C ATOM 693 C ALA A 63 33.657 -13.220 10.573 1.00 60.11 C ATOM 694 O ALA A 63 34.482 -12.743 9.795 1.00 51.55 O ATOM 695 CB ALA A 63 33.974 -15.212 12.051 1.00 71.52 C ATOM 0 H ALA A 63 32.807 -13.731 13.628 1.00 2.42 H new ATOM 0 HA ALA A 63 35.112 -13.403 12.118 1.00 32.10 H new ATOM 0 HB1 ALA A 63 34.585 -15.665 11.271 1.00 71.52 H new ATOM 0 HB2 ALA A 63 34.329 -15.542 13.027 1.00 71.52 H new ATOM 0 HB3 ALA A 63 32.935 -15.516 11.921 1.00 71.52 H new ATOM 701 N PHE A 64 32.370 -13.353 10.270 1.00 10.21 N ATOM 702 CA PHE A 64 31.842 -12.937 8.976 1.00 61.21 C ATOM 703 C PHE A 64 32.078 -11.448 8.746 1.00 40.54 C ATOM 704 O PHE A 64 32.682 -11.050 7.749 1.00 41.43 O ATOM 705 CB PHE A 64 30.346 -13.248 8.888 1.00 44.33 C ATOM 706 CG PHE A 64 29.796 -13.153 7.493 1.00 12.13 C ATOM 707 CD1 PHE A 64 29.742 -14.272 6.678 1.00 1.22 C ATOM 708 CD2 PHE A 64 29.332 -11.945 6.997 1.00 4.11 C ATOM 709 CE1 PHE A 64 29.236 -14.188 5.394 1.00 21.21 C ATOM 710 CE2 PHE A 64 28.825 -11.856 5.715 1.00 13.31 C ATOM 711 CZ PHE A 64 28.778 -12.978 4.912 1.00 31.04 C ATOM 0 H PHE A 64 31.673 -13.746 10.903 1.00 10.21 H new ATOM 0 HA PHE A 64 32.368 -13.494 8.201 1.00 61.21 H new ATOM 0 HB2 PHE A 64 30.168 -14.252 9.273 1.00 44.33 H new ATOM 0 HB3 PHE A 64 29.801 -12.559 9.533 1.00 44.33 H new ATOM 0 HD1 PHE A 64 30.099 -15.221 7.050 1.00 1.22 H new ATOM 0 HD2 PHE A 64 29.367 -11.063 7.620 1.00 4.11 H new ATOM 0 HE1 PHE A 64 29.199 -15.068 4.769 1.00 21.21 H new ATOM 0 HE2 PHE A 64 28.465 -10.909 5.341 1.00 13.31 H new ATOM 0 HZ PHE A 64 28.384 -12.909 3.909 1.00 31.04 H new ATOM 721 N TYR A 65 31.597 -10.628 9.674 1.00 70.12 N ATOM 722 CA TYR A 65 31.753 -9.181 9.572 1.00 75.44 C ATOM 723 C TYR A 65 33.210 -8.807 9.327 1.00 40.25 C ATOM 724 O TYR A 65 33.506 -7.774 8.723 1.00 62.22 O ATOM 725 CB TYR A 65 31.247 -8.502 10.846 1.00 73.41 C ATOM 726 CG TYR A 65 29.744 -8.337 10.888 1.00 30.25 C ATOM 727 CD1 TYR A 65 29.052 -7.814 9.803 1.00 64.21 C ATOM 728 CD2 TYR A 65 29.017 -8.703 12.014 1.00 43.31 C ATOM 729 CE1 TYR A 65 27.679 -7.661 9.837 1.00 63.32 C ATOM 730 CE2 TYR A 65 27.644 -8.554 12.057 1.00 0.33 C ATOM 731 CZ TYR A 65 26.980 -8.032 10.967 1.00 61.11 C ATOM 732 OH TYR A 65 25.613 -7.882 11.006 1.00 3.32 O ATOM 0 H TYR A 65 31.096 -10.940 10.506 1.00 70.12 H new ATOM 0 HA TYR A 65 31.161 -8.835 8.725 1.00 75.44 H new ATOM 0 HB2 TYR A 65 31.564 -9.086 11.710 1.00 73.41 H new ATOM 0 HB3 TYR A 65 31.714 -7.521 10.935 1.00 73.41 H new ATOM 0 HD1 TYR A 65 29.597 -7.522 8.917 1.00 64.21 H new ATOM 0 HD2 TYR A 65 29.534 -9.111 12.870 1.00 43.31 H new ATOM 0 HE1 TYR A 65 27.156 -7.254 8.984 1.00 63.32 H new ATOM 0 HE2 TYR A 65 27.094 -8.845 12.940 1.00 0.33 H new ATOM 0 HH TYR A 65 25.275 -8.192 11.872 1.00 3.32 H new ATOM 742 N LYS A 66 34.119 -9.653 9.798 1.00 43.31 N ATOM 743 CA LYS A 66 35.548 -9.414 9.629 1.00 10.13 C ATOM 744 C LYS A 66 35.908 -9.283 8.152 1.00 14.25 C ATOM 745 O LYS A 66 36.853 -8.579 7.793 1.00 13.12 O ATOM 746 CB LYS A 66 36.355 -10.550 10.261 1.00 32.51 C ATOM 747 CG LYS A 66 37.637 -10.088 10.932 1.00 53.24 C ATOM 748 CD LYS A 66 38.163 -11.128 11.907 1.00 55.23 C ATOM 749 CE LYS A 66 39.031 -10.493 12.983 1.00 72.45 C ATOM 750 NZ LYS A 66 40.422 -11.026 12.959 1.00 74.43 N ATOM 0 H LYS A 66 33.892 -10.511 10.300 1.00 43.31 H new ATOM 0 HA LYS A 66 35.795 -8.478 10.130 1.00 10.13 H new ATOM 0 HB2 LYS A 66 35.733 -11.060 10.997 1.00 32.51 H new ATOM 0 HB3 LYS A 66 36.601 -11.281 9.491 1.00 32.51 H new ATOM 0 HG2 LYS A 66 38.393 -9.884 10.173 1.00 53.24 H new ATOM 0 HG3 LYS A 66 37.455 -9.152 11.460 1.00 53.24 H new ATOM 0 HD2 LYS A 66 37.326 -11.648 12.373 1.00 55.23 H new ATOM 0 HD3 LYS A 66 38.742 -11.876 11.366 1.00 55.23 H new ATOM 0 HE2 LYS A 66 39.053 -9.413 12.841 1.00 72.45 H new ATOM 0 HE3 LYS A 66 38.588 -10.677 13.962 1.00 72.45 H new ATOM 0 HZ1 LYS A 66 40.982 -10.569 13.707 1.00 74.43 H new ATOM 0 HZ2 LYS A 66 40.403 -12.053 13.120 1.00 74.43 H new ATOM 0 HZ3 LYS A 66 40.854 -10.828 12.034 1.00 74.43 H new ATOM 764 N LEU A 67 35.147 -9.962 7.301 1.00 71.02 N ATOM 765 CA LEU A 67 35.385 -9.919 5.862 1.00 52.41 C ATOM 766 C LEU A 67 35.050 -8.543 5.295 1.00 2.24 C ATOM 767 O LEU A 67 34.340 -7.747 5.911 1.00 62.33 O ATOM 768 CB LEU A 67 34.552 -10.991 5.156 1.00 41.55 C ATOM 769 CG LEU A 67 35.152 -12.396 5.128 1.00 72.13 C ATOM 770 CD1 LEU A 67 34.152 -13.392 4.562 1.00 73.13 C ATOM 771 CD2 LEU A 67 36.439 -12.410 4.316 1.00 61.44 C ATOM 0 H LEU A 67 34.361 -10.548 7.582 1.00 71.02 H new ATOM 0 HA LEU A 67 36.443 -10.115 5.687 1.00 52.41 H new ATOM 0 HB2 LEU A 67 33.577 -11.043 5.641 1.00 41.55 H new ATOM 0 HB3 LEU A 67 34.380 -10.671 4.128 1.00 41.55 H new ATOM 0 HG LEU A 67 35.388 -12.690 6.151 1.00 72.13 H new ATOM 0 HD11 LEU A 67 34.597 -14.387 4.550 1.00 73.13 H new ATOM 0 HD12 LEU A 67 33.257 -13.402 5.184 1.00 73.13 H new ATOM 0 HD13 LEU A 67 33.885 -13.102 3.546 1.00 73.13 H new ATOM 0 HD21 LEU A 67 36.852 -13.418 4.307 1.00 61.44 H new ATOM 0 HD22 LEU A 67 36.228 -12.095 3.294 1.00 61.44 H new ATOM 0 HD23 LEU A 67 37.160 -11.726 4.765 1.00 61.44 H new ATOM 783 N PRO A 68 35.570 -8.254 4.094 1.00 64.44 N ATOM 784 CA PRO A 68 35.338 -6.976 3.416 1.00 40.24 C ATOM 785 C PRO A 68 33.898 -6.827 2.937 1.00 41.35 C ATOM 786 O PRO A 68 33.114 -7.775 2.989 1.00 24.04 O ATOM 787 CB PRO A 68 36.296 -7.027 2.223 1.00 41.23 C ATOM 788 CG PRO A 68 36.498 -8.480 1.962 1.00 21.02 C ATOM 789 CD PRO A 68 36.426 -9.156 3.302 1.00 24.15 C ATOM 0 HA PRO A 68 35.506 -6.127 4.079 1.00 40.24 H new ATOM 0 HB2 PRO A 68 35.873 -6.524 1.354 1.00 41.23 H new ATOM 0 HB3 PRO A 68 37.239 -6.531 2.451 1.00 41.23 H new ATOM 0 HG2 PRO A 68 35.732 -8.866 1.289 1.00 21.02 H new ATOM 0 HG3 PRO A 68 37.461 -8.660 1.485 1.00 21.02 H new ATOM 0 HD2 PRO A 68 35.995 -10.154 3.226 1.00 24.15 H new ATOM 0 HD3 PRO A 68 37.414 -9.268 3.749 1.00 24.15 H new ATOM 797 N LYS A 69 33.557 -5.632 2.468 1.00 13.14 N ATOM 798 CA LYS A 69 32.211 -5.358 1.977 1.00 21.43 C ATOM 799 C LYS A 69 31.916 -6.166 0.717 1.00 44.53 C ATOM 800 O LYS A 69 30.875 -6.813 0.613 1.00 21.24 O ATOM 801 CB LYS A 69 32.046 -3.864 1.689 1.00 14.30 C ATOM 802 CG LYS A 69 30.611 -3.457 1.399 1.00 3.40 C ATOM 803 CD LYS A 69 29.718 -3.659 2.611 1.00 24.53 C ATOM 804 CE LYS A 69 28.407 -2.901 2.470 1.00 4.24 C ATOM 805 NZ LYS A 69 27.289 -3.590 3.174 1.00 64.12 N ATOM 0 H LYS A 69 34.194 -4.837 2.417 1.00 13.14 H new ATOM 0 HA LYS A 69 31.502 -5.653 2.750 1.00 21.43 H new ATOM 0 HB2 LYS A 69 32.411 -3.295 2.544 1.00 14.30 H new ATOM 0 HB3 LYS A 69 32.671 -3.595 0.837 1.00 14.30 H new ATOM 0 HG2 LYS A 69 30.583 -2.410 1.096 1.00 3.40 H new ATOM 0 HG3 LYS A 69 30.228 -4.042 0.562 1.00 3.40 H new ATOM 0 HD2 LYS A 69 29.513 -4.722 2.740 1.00 24.53 H new ATOM 0 HD3 LYS A 69 30.239 -3.324 3.508 1.00 24.53 H new ATOM 0 HE2 LYS A 69 28.524 -1.895 2.872 1.00 4.24 H new ATOM 0 HE3 LYS A 69 28.161 -2.795 1.414 1.00 4.24 H new ATOM 0 HZ1 LYS A 69 26.413 -3.042 3.054 1.00 64.12 H new ATOM 0 HZ2 LYS A 69 27.160 -4.541 2.773 1.00 64.12 H new ATOM 0 HZ3 LYS A 69 27.512 -3.668 4.187 1.00 64.12 H new ATOM 819 N TRP A 70 32.842 -6.124 -0.236 1.00 13.33 N ATOM 820 CA TRP A 70 32.681 -6.854 -1.489 1.00 34.14 C ATOM 821 C TRP A 70 32.446 -8.337 -1.228 1.00 11.10 C ATOM 822 O TRP A 70 31.601 -8.964 -1.867 1.00 63.43 O ATOM 823 CB TRP A 70 33.915 -6.668 -2.372 1.00 31.01 C ATOM 824 CG TRP A 70 35.079 -7.514 -1.953 1.00 12.42 C ATOM 825 CD1 TRP A 70 36.058 -7.177 -1.062 1.00 72.25 C ATOM 826 CD2 TRP A 70 35.386 -8.836 -2.409 1.00 42.43 C ATOM 827 NE1 TRP A 70 36.955 -8.210 -0.937 1.00 54.00 N ATOM 828 CE2 TRP A 70 36.565 -9.240 -1.752 1.00 32.12 C ATOM 829 CE3 TRP A 70 34.779 -9.718 -3.306 1.00 62.13 C ATOM 830 CZ2 TRP A 70 37.147 -10.486 -1.968 1.00 31.54 C ATOM 831 CZ3 TRP A 70 35.358 -10.954 -3.519 1.00 31.41 C ATOM 832 CH2 TRP A 70 36.531 -11.330 -2.851 1.00 24.40 C ATOM 0 H TRP A 70 33.710 -5.593 -0.165 1.00 13.33 H new ATOM 0 HA TRP A 70 31.809 -6.453 -2.006 1.00 34.14 H new ATOM 0 HB2 TRP A 70 33.654 -6.907 -3.403 1.00 31.01 H new ATOM 0 HB3 TRP A 70 34.212 -5.619 -2.353 1.00 31.01 H new ATOM 0 HD1 TRP A 70 36.118 -6.237 -0.534 1.00 72.25 H new ATOM 0 HE1 TRP A 70 37.778 -8.210 -0.335 1.00 54.00 H new ATOM 0 HE3 TRP A 70 33.873 -9.439 -3.824 1.00 62.13 H new ATOM 0 HZ2 TRP A 70 38.053 -10.776 -1.457 1.00 31.54 H new ATOM 0 HZ3 TRP A 70 34.899 -11.643 -4.213 1.00 31.41 H new ATOM 0 HH2 TRP A 70 36.957 -12.305 -3.037 1.00 24.40 H new ATOM 843 N LYS A 71 33.197 -8.894 -0.284 1.00 10.21 N ATOM 844 CA LYS A 71 33.070 -10.304 0.062 1.00 25.43 C ATOM 845 C LYS A 71 31.832 -10.545 0.919 1.00 35.33 C ATOM 846 O LYS A 71 31.189 -11.589 0.817 1.00 73.30 O ATOM 847 CB LYS A 71 34.318 -10.782 0.807 1.00 25.35 C ATOM 848 CG LYS A 71 34.336 -12.279 1.070 1.00 55.23 C ATOM 849 CD LYS A 71 35.720 -12.867 0.856 1.00 44.20 C ATOM 850 CE LYS A 71 35.783 -13.696 -0.417 1.00 50.44 C ATOM 851 NZ LYS A 71 35.718 -15.156 -0.133 1.00 33.13 N ATOM 0 H LYS A 71 33.901 -8.390 0.255 1.00 10.21 H new ATOM 0 HA LYS A 71 32.966 -10.871 -0.863 1.00 25.43 H new ATOM 0 HB2 LYS A 71 35.201 -10.513 0.228 1.00 25.35 H new ATOM 0 HB3 LYS A 71 34.387 -10.254 1.758 1.00 25.35 H new ATOM 0 HG2 LYS A 71 34.011 -12.473 2.092 1.00 55.23 H new ATOM 0 HG3 LYS A 71 33.624 -12.774 0.410 1.00 55.23 H new ATOM 0 HD2 LYS A 71 36.454 -12.063 0.804 1.00 44.20 H new ATOM 0 HD3 LYS A 71 35.988 -13.489 1.710 1.00 44.20 H new ATOM 0 HE2 LYS A 71 34.959 -13.417 -1.073 1.00 50.44 H new ATOM 0 HE3 LYS A 71 36.706 -13.471 -0.951 1.00 50.44 H new ATOM 0 HZ1 LYS A 71 35.764 -15.686 -1.027 1.00 33.13 H new ATOM 0 HZ2 LYS A 71 36.519 -15.428 0.472 1.00 33.13 H new ATOM 0 HZ3 LYS A 71 34.826 -15.376 0.354 1.00 33.13 H new ATOM 865 N GLN A 72 31.501 -9.570 1.761 1.00 71.25 N ATOM 866 CA GLN A 72 30.339 -9.677 2.634 1.00 34.22 C ATOM 867 C GLN A 72 29.051 -9.753 1.819 1.00 63.32 C ATOM 868 O GLN A 72 28.133 -10.497 2.161 1.00 34.24 O ATOM 869 CB GLN A 72 30.280 -8.484 3.589 1.00 60.00 C ATOM 870 CG GLN A 72 30.856 -8.778 4.965 1.00 14.11 C ATOM 871 CD GLN A 72 30.226 -7.931 6.054 1.00 71.52 C ATOM 872 OE1 GLN A 72 29.101 -8.186 6.483 1.00 72.23 O ATOM 873 NE2 GLN A 72 30.952 -6.916 6.508 1.00 75.11 N ATOM 0 H GLN A 72 32.021 -8.698 1.856 1.00 71.25 H new ATOM 0 HA GLN A 72 30.436 -10.594 3.215 1.00 34.22 H new ATOM 0 HB2 GLN A 72 30.823 -7.649 3.148 1.00 60.00 H new ATOM 0 HB3 GLN A 72 29.243 -8.168 3.698 1.00 60.00 H new ATOM 0 HG2 GLN A 72 30.709 -9.832 5.199 1.00 14.11 H new ATOM 0 HG3 GLN A 72 31.932 -8.602 4.950 1.00 14.11 H new ATOM 0 HE21 GLN A 72 31.880 -6.741 6.124 1.00 75.11 H new ATOM 0 HE22 GLN A 72 30.581 -6.311 7.241 1.00 75.11 H new ATOM 882 N ASN A 73 28.993 -8.980 0.741 1.00 53.43 N ATOM 883 CA ASN A 73 27.817 -8.959 -0.123 1.00 64.44 C ATOM 884 C ASN A 73 27.758 -10.213 -0.991 1.00 64.20 C ATOM 885 O ASN A 73 26.681 -10.652 -1.396 1.00 4.14 O ATOM 886 CB ASN A 73 27.832 -7.713 -1.010 1.00 33.11 C ATOM 887 CG ASN A 73 26.786 -6.697 -0.594 1.00 54.32 C ATOM 888 OD1 ASN A 73 26.077 -6.140 -1.433 1.00 11.15 O ATOM 889 ND2 ASN A 73 26.686 -6.450 0.707 1.00 55.42 N ATOM 0 H ASN A 73 29.746 -8.359 0.444 1.00 53.43 H new ATOM 0 HA ASN A 73 26.931 -8.935 0.512 1.00 64.44 H new ATOM 0 HB2 ASN A 73 28.819 -7.252 -0.969 1.00 33.11 H new ATOM 0 HB3 ASN A 73 27.660 -8.005 -2.046 1.00 33.11 H new ATOM 0 HD21 ASN A 73 26.001 -5.775 1.047 1.00 55.42 H new ATOM 0 HD22 ASN A 73 27.294 -6.935 1.366 1.00 55.42 H new ATOM 896 N LYS A 74 28.922 -10.788 -1.271 1.00 44.35 N ATOM 897 CA LYS A 74 29.006 -11.992 -2.089 1.00 14.10 C ATOM 898 C LYS A 74 28.487 -13.206 -1.324 1.00 14.13 C ATOM 899 O LYS A 74 27.611 -13.927 -1.804 1.00 52.20 O ATOM 900 CB LYS A 74 30.450 -12.235 -2.531 1.00 50.44 C ATOM 901 CG LYS A 74 30.951 -11.227 -3.551 1.00 43.24 C ATOM 902 CD LYS A 74 30.631 -11.665 -4.971 1.00 3.54 C ATOM 903 CE LYS A 74 30.110 -10.506 -5.807 1.00 12.42 C ATOM 904 NZ LYS A 74 29.240 -10.972 -6.921 1.00 52.14 N ATOM 0 H LYS A 74 29.822 -10.439 -0.943 1.00 44.35 H new ATOM 0 HA LYS A 74 28.383 -11.845 -2.971 1.00 14.10 H new ATOM 0 HB2 LYS A 74 31.099 -12.207 -1.656 1.00 50.44 H new ATOM 0 HB3 LYS A 74 30.528 -13.237 -2.954 1.00 50.44 H new ATOM 0 HG2 LYS A 74 30.496 -10.255 -3.358 1.00 43.24 H new ATOM 0 HG3 LYS A 74 32.028 -11.102 -3.442 1.00 43.24 H new ATOM 0 HD2 LYS A 74 31.526 -12.077 -5.436 1.00 3.54 H new ATOM 0 HD3 LYS A 74 29.888 -12.462 -4.948 1.00 3.54 H new ATOM 0 HE2 LYS A 74 29.549 -9.822 -5.170 1.00 12.42 H new ATOM 0 HE3 LYS A 74 30.951 -9.945 -6.214 1.00 12.42 H new ATOM 0 HZ1 LYS A 74 28.906 -10.152 -7.467 1.00 52.14 H new ATOM 0 HZ2 LYS A 74 29.782 -11.604 -7.544 1.00 52.14 H new ATOM 0 HZ3 LYS A 74 28.423 -11.486 -6.532 1.00 52.14 H new ATOM 918 N PHE A 75 29.029 -13.424 -0.131 1.00 64.42 N ATOM 919 CA PHE A 75 28.621 -14.550 0.701 1.00 50.32 C ATOM 920 C PHE A 75 27.138 -14.457 1.051 1.00 5.22 C ATOM 921 O PHE A 75 26.425 -15.461 1.057 1.00 51.45 O ATOM 922 CB PHE A 75 29.457 -14.596 1.981 1.00 20.25 C ATOM 923 CG PHE A 75 30.286 -15.842 2.112 1.00 50.34 C ATOM 924 CD1 PHE A 75 29.734 -17.087 1.855 1.00 24.11 C ATOM 925 CD2 PHE A 75 31.616 -15.769 2.490 1.00 44.14 C ATOM 926 CE1 PHE A 75 30.494 -18.235 1.973 1.00 35.34 C ATOM 927 CE2 PHE A 75 32.381 -16.913 2.610 1.00 43.03 C ATOM 928 CZ PHE A 75 31.819 -18.149 2.352 1.00 2.10 C ATOM 0 H PHE A 75 29.752 -12.835 0.282 1.00 64.42 H new ATOM 0 HA PHE A 75 28.787 -15.467 0.135 1.00 50.32 H new ATOM 0 HB2 PHE A 75 30.115 -13.727 2.007 1.00 20.25 H new ATOM 0 HB3 PHE A 75 28.793 -14.519 2.842 1.00 20.25 H new ATOM 0 HD1 PHE A 75 28.698 -17.161 1.559 1.00 24.11 H new ATOM 0 HD2 PHE A 75 32.061 -14.806 2.693 1.00 44.14 H new ATOM 0 HE1 PHE A 75 30.052 -19.199 1.769 1.00 35.34 H new ATOM 0 HE2 PHE A 75 33.417 -16.842 2.905 1.00 43.03 H new ATOM 0 HZ PHE A 75 32.414 -19.045 2.447 1.00 2.10 H new ATOM 938 N LYS A 76 26.682 -13.244 1.345 1.00 31.45 N ATOM 939 CA LYS A 76 25.284 -13.017 1.697 1.00 63.32 C ATOM 940 C LYS A 76 24.355 -13.735 0.724 1.00 70.14 C ATOM 941 O LYS A 76 23.583 -14.609 1.119 1.00 61.11 O ATOM 942 CB LYS A 76 24.976 -11.518 1.702 1.00 24.44 C ATOM 943 CG LYS A 76 25.039 -10.889 3.083 1.00 63.01 C ATOM 944 CD LYS A 76 25.250 -9.386 3.002 1.00 31.53 C ATOM 945 CE LYS A 76 26.138 -8.886 4.131 1.00 64.51 C ATOM 946 NZ LYS A 76 25.720 -7.541 4.612 1.00 21.11 N ATOM 0 H LYS A 76 27.259 -12.403 1.347 1.00 31.45 H new ATOM 0 HA LYS A 76 25.116 -13.420 2.696 1.00 63.32 H new ATOM 0 HB2 LYS A 76 25.683 -11.008 1.047 1.00 24.44 H new ATOM 0 HB3 LYS A 76 23.982 -11.358 1.284 1.00 24.44 H new ATOM 0 HG2 LYS A 76 24.115 -11.099 3.622 1.00 63.01 H new ATOM 0 HG3 LYS A 76 25.851 -11.341 3.653 1.00 63.01 H new ATOM 0 HD2 LYS A 76 25.702 -9.132 2.043 1.00 31.53 H new ATOM 0 HD3 LYS A 76 24.286 -8.879 3.044 1.00 31.53 H new ATOM 0 HE2 LYS A 76 26.105 -9.594 4.959 1.00 64.51 H new ATOM 0 HE3 LYS A 76 27.172 -8.844 3.788 1.00 64.51 H new ATOM 0 HZ1 LYS A 76 26.547 -6.911 4.645 1.00 21.11 H new ATOM 0 HZ2 LYS A 76 25.009 -7.146 3.964 1.00 21.11 H new ATOM 0 HZ3 LYS A 76 25.311 -7.625 5.564 1.00 21.11 H new ATOM 960 N MET A 77 24.435 -13.362 -0.549 1.00 43.52 N ATOM 961 CA MET A 77 23.603 -13.973 -1.578 1.00 20.12 C ATOM 962 C MET A 77 24.001 -15.428 -1.807 1.00 33.13 C ATOM 963 O MET A 77 23.182 -16.247 -2.223 1.00 32.15 O ATOM 964 CB MET A 77 23.716 -13.190 -2.888 1.00 1.03 C ATOM 965 CG MET A 77 25.142 -13.054 -3.392 1.00 44.35 C ATOM 966 SD MET A 77 25.273 -11.960 -4.820 1.00 15.23 S ATOM 967 CE MET A 77 25.868 -13.099 -6.067 1.00 23.13 C ATOM 0 H MET A 77 25.068 -12.639 -0.892 1.00 43.52 H new ATOM 0 HA MET A 77 22.569 -13.947 -1.235 1.00 20.12 H new ATOM 0 HB2 MET A 77 23.115 -13.685 -3.651 1.00 1.03 H new ATOM 0 HB3 MET A 77 23.293 -12.196 -2.745 1.00 1.03 H new ATOM 0 HG2 MET A 77 25.772 -12.673 -2.588 1.00 44.35 H new ATOM 0 HG3 MET A 77 25.525 -14.039 -3.658 1.00 44.35 H new ATOM 0 HE1 MET A 77 25.999 -12.569 -7.011 1.00 23.13 H new ATOM 0 HE2 MET A 77 26.823 -13.518 -5.751 1.00 23.13 H new ATOM 0 HE3 MET A 77 25.145 -13.903 -6.200 1.00 23.13 H new ATOM 977 N ALA A 78 25.262 -15.742 -1.532 1.00 52.23 N ATOM 978 CA ALA A 78 25.767 -17.098 -1.707 1.00 10.14 C ATOM 979 C ALA A 78 24.905 -18.105 -0.954 1.00 61.23 C ATOM 980 O ALA A 78 24.606 -19.185 -1.465 1.00 31.33 O ATOM 981 CB ALA A 78 27.213 -17.186 -1.241 1.00 65.13 C ATOM 0 H ALA A 78 25.953 -15.076 -1.187 1.00 52.23 H new ATOM 0 HA ALA A 78 25.723 -17.342 -2.768 1.00 10.14 H new ATOM 0 HB1 ALA A 78 27.578 -18.204 -1.377 1.00 65.13 H new ATOM 0 HB2 ALA A 78 27.826 -16.500 -1.825 1.00 65.13 H new ATOM 0 HB3 ALA A 78 27.272 -16.917 -0.186 1.00 65.13 H new ATOM 987 N VAL A 79 24.509 -17.746 0.263 1.00 74.21 N ATOM 988 CA VAL A 79 23.680 -18.620 1.086 1.00 52.51 C ATOM 989 C VAL A 79 22.204 -18.260 0.955 1.00 65.14 C ATOM 990 O VAL A 79 21.380 -18.681 1.766 1.00 54.22 O ATOM 991 CB VAL A 79 24.086 -18.543 2.570 1.00 71.11 C ATOM 992 CG1 VAL A 79 25.593 -18.388 2.704 1.00 51.52 C ATOM 993 CG2 VAL A 79 23.360 -17.401 3.262 1.00 14.43 C ATOM 0 H VAL A 79 24.749 -16.857 0.701 1.00 74.21 H new ATOM 0 HA VAL A 79 23.836 -19.637 0.726 1.00 52.51 H new ATOM 0 HB VAL A 79 23.797 -19.474 3.057 1.00 71.11 H new ATOM 0 HG11 VAL A 79 25.861 -18.335 3.759 1.00 51.52 H new ATOM 0 HG12 VAL A 79 26.089 -19.244 2.246 1.00 51.52 H new ATOM 0 HG13 VAL A 79 25.911 -17.474 2.203 1.00 51.52 H new ATOM 0 HG21 VAL A 79 23.659 -17.362 4.309 1.00 14.43 H new ATOM 0 HG22 VAL A 79 23.616 -16.460 2.776 1.00 14.43 H new ATOM 0 HG23 VAL A 79 22.284 -17.562 3.198 1.00 14.43 H new ATOM 1003 N GLN A 80 21.880 -17.481 -0.072 1.00 74.32 N ATOM 1004 CA GLN A 80 20.503 -17.065 -0.309 1.00 72.42 C ATOM 1005 C GLN A 80 20.029 -16.106 0.778 1.00 0.12 C ATOM 1006 O GLN A 80 18.850 -16.089 1.135 1.00 32.11 O ATOM 1007 CB GLN A 80 19.581 -18.285 -0.366 1.00 64.32 C ATOM 1008 CG GLN A 80 20.149 -19.438 -1.178 1.00 23.40 C ATOM 1009 CD GLN A 80 19.280 -20.679 -1.114 1.00 65.33 C ATOM 1010 OE1 GLN A 80 18.169 -20.701 -1.643 1.00 14.05 O ATOM 1011 NE2 GLN A 80 19.785 -21.723 -0.466 1.00 0.01 N ATOM 0 H GLN A 80 22.552 -17.126 -0.752 1.00 74.32 H new ATOM 0 HA GLN A 80 20.467 -16.546 -1.267 1.00 72.42 H new ATOM 0 HB2 GLN A 80 19.384 -18.629 0.649 1.00 64.32 H new ATOM 0 HB3 GLN A 80 18.624 -17.987 -0.793 1.00 64.32 H new ATOM 0 HG2 GLN A 80 20.257 -19.127 -2.217 1.00 23.40 H new ATOM 0 HG3 GLN A 80 21.147 -19.678 -0.812 1.00 23.40 H new ATOM 0 HE21 GLN A 80 20.711 -21.661 -0.042 1.00 0.01 H new ATOM 0 HE22 GLN A 80 19.247 -22.586 -0.392 1.00 0.01 H new ATOM 1020 N LEU A 81 20.954 -15.309 1.301 1.00 72.31 N ATOM 1021 CA LEU A 81 20.631 -14.346 2.348 1.00 22.14 C ATOM 1022 C LEU A 81 21.088 -12.944 1.959 1.00 13.03 C ATOM 1023 O LEU A 81 22.246 -12.578 2.161 1.00 33.31 O ATOM 1024 CB LEU A 81 21.286 -14.760 3.668 1.00 64.01 C ATOM 1025 CG LEU A 81 20.569 -15.854 4.459 1.00 62.45 C ATOM 1026 CD1 LEU A 81 21.247 -16.073 5.803 1.00 72.13 C ATOM 1027 CD2 LEU A 81 19.102 -15.500 4.651 1.00 51.25 C ATOM 0 H LEU A 81 21.934 -15.310 1.017 1.00 72.31 H new ATOM 0 HA LEU A 81 19.548 -14.333 2.474 1.00 22.14 H new ATOM 0 HB2 LEU A 81 22.301 -15.098 3.457 1.00 64.01 H new ATOM 0 HB3 LEU A 81 21.370 -13.877 4.302 1.00 64.01 H new ATOM 0 HG LEU A 81 20.626 -16.782 3.891 1.00 62.45 H new ATOM 0 HD11 LEU A 81 20.723 -16.855 6.352 1.00 72.13 H new ATOM 0 HD12 LEU A 81 22.283 -16.373 5.643 1.00 72.13 H new ATOM 0 HD13 LEU A 81 21.222 -15.147 6.378 1.00 72.13 H new ATOM 0 HD21 LEU A 81 18.608 -16.290 5.216 1.00 51.25 H new ATOM 0 HD22 LEU A 81 19.023 -14.560 5.197 1.00 51.25 H new ATOM 0 HD23 LEU A 81 18.622 -15.396 3.678 1.00 51.25 H new ATOM 1039 N PHE A 82 20.170 -12.162 1.401 1.00 13.02 N ATOM 1040 CA PHE A 82 20.477 -10.799 0.985 1.00 63.03 C ATOM 1041 C PHE A 82 19.237 -9.913 1.062 1.00 22.20 C ATOM 1042 O PHE A 82 18.690 -9.504 0.039 1.00 70.14 O ATOM 1043 CB PHE A 82 21.034 -10.792 -0.440 1.00 40.10 C ATOM 1044 CG PHE A 82 21.643 -9.478 -0.840 1.00 70.13 C ATOM 1045 CD1 PHE A 82 20.908 -8.549 -1.559 1.00 32.44 C ATOM 1046 CD2 PHE A 82 22.951 -9.173 -0.498 1.00 34.04 C ATOM 1047 CE1 PHE A 82 21.465 -7.339 -1.928 1.00 33.42 C ATOM 1048 CE2 PHE A 82 23.512 -7.964 -0.864 1.00 22.42 C ATOM 1049 CZ PHE A 82 22.769 -7.047 -1.580 1.00 35.34 C ATOM 0 H PHE A 82 19.207 -12.449 1.226 1.00 13.02 H new ATOM 0 HA PHE A 82 21.230 -10.400 1.665 1.00 63.03 H new ATOM 0 HB2 PHE A 82 21.787 -11.575 -0.531 1.00 40.10 H new ATOM 0 HB3 PHE A 82 20.232 -11.039 -1.136 1.00 40.10 H new ATOM 0 HD1 PHE A 82 19.888 -8.773 -1.834 1.00 32.44 H new ATOM 0 HD2 PHE A 82 23.538 -9.887 0.060 1.00 34.04 H new ATOM 0 HE1 PHE A 82 20.881 -6.623 -2.488 1.00 33.42 H new ATOM 0 HE2 PHE A 82 24.532 -7.737 -0.590 1.00 22.42 H new ATOM 0 HZ PHE A 82 23.207 -6.103 -1.868 1.00 35.34 H new TER 1059 PHE A 82