USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=19 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 25 TYR OH : rot -152:sc= 1.19 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 161:sc= 1.17 (180deg=-0.0255) USER MOD Set 1.3: A 80 GLN : amide:sc= 0 X(o=2.4,f=2.1) USER MOD Set 2.1: A 61 LYS NZ :NH3+ -127:sc= 0.0399 (180deg=-0.175) USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 23 HIS : no HE2:sc= -0.969 K(o=-1.8,f=-4.1!) USER MOD Set 3.2: A 37 SER OG : rot 144:sc= -0.782 USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.154) USER MOD Single : A 30 THR OG1 : rot -176:sc= -1.6 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 160:sc= 0.354 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 47 TYR OH : rot 60:sc= -3.44 USER MOD Single : A 49 SER OG : rot 84:sc= 0.0985 USER MOD Single : A 50 SER OG : rot 180:sc= -0.672 USER MOD Single : A 54 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 180:sc= -0.186 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -166:sc=-0.00578 (180deg=-0.121) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0145 X(o=-0.014,f=-0.033) USER MOD Single : A 73 ASN : amide:sc= -0.567 K(o=-0.57,f=-1.7) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -144:sc= 0.232 (180deg=-0.206) USER MOD Single : A 77 MET CE :methyl -149:sc= -0.112 (180deg=-1.99!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 20 13.933 -7.307 20.119 1.00 65.30 N ATOM 2 CA LEU A 20 13.033 -8.214 19.414 1.00 44.13 C ATOM 3 C LEU A 20 13.759 -9.491 19.003 1.00 42.35 C ATOM 4 O LEU A 20 14.986 -9.534 18.909 1.00 63.44 O ATOM 5 CB LEU A 20 12.450 -7.526 18.180 1.00 52.15 C ATOM 6 CG LEU A 20 11.233 -6.632 18.421 1.00 3.42 C ATOM 7 CD1 LEU A 20 10.059 -7.454 18.928 1.00 72.12 C ATOM 8 CD2 LEU A 20 11.574 -5.523 19.406 1.00 41.41 C ATOM 0 HA LEU A 20 12.222 -8.481 20.091 1.00 44.13 H new ATOM 0 HB2 LEU A 20 13.233 -6.923 17.721 1.00 52.15 H new ATOM 0 HB3 LEU A 20 12.174 -8.294 17.457 1.00 52.15 H new ATOM 0 HG LEU A 20 10.948 -6.175 17.473 1.00 3.42 H new ATOM 0 HD11 LEU A 20 9.202 -6.801 19.094 1.00 72.12 H new ATOM 0 HD12 LEU A 20 9.800 -8.212 18.189 1.00 72.12 H new ATOM 0 HD13 LEU A 20 10.332 -7.939 19.865 1.00 72.12 H new ATOM 0 HD21 LEU A 20 10.697 -4.896 19.566 1.00 41.41 H new ATOM 0 HD22 LEU A 20 11.885 -5.961 20.354 1.00 41.41 H new ATOM 0 HD23 LEU A 20 12.385 -4.916 19.004 1.00 41.41 H new ATOM 20 N PRO A 21 12.985 -10.557 18.749 1.00 45.45 N ATOM 21 CA PRO A 21 13.533 -11.854 18.340 1.00 4.11 C ATOM 22 C PRO A 21 14.117 -11.819 16.932 1.00 54.12 C ATOM 23 O PRO A 21 14.008 -10.814 16.229 1.00 32.31 O ATOM 24 CB PRO A 21 12.319 -12.784 18.394 1.00 74.25 C ATOM 25 CG PRO A 21 11.146 -11.886 18.201 1.00 34.30 C ATOM 26 CD PRO A 21 11.516 -10.577 18.840 1.00 31.15 C ATOM 0 HA PRO A 21 14.357 -12.169 18.980 1.00 4.11 H new ATOM 0 HB2 PRO A 21 12.368 -13.545 17.615 1.00 74.25 H new ATOM 0 HB3 PRO A 21 12.264 -13.308 19.348 1.00 74.25 H new ATOM 0 HG2 PRO A 21 10.926 -11.754 17.142 1.00 34.30 H new ATOM 0 HG3 PRO A 21 10.253 -12.307 18.663 1.00 34.30 H new ATOM 0 HD2 PRO A 21 11.069 -9.733 18.315 1.00 31.15 H new ATOM 0 HD3 PRO A 21 11.177 -10.525 19.874 1.00 31.15 H new ATOM 34 N ALA A 22 14.735 -12.923 16.526 1.00 4.52 N ATOM 35 CA ALA A 22 15.334 -13.018 15.200 1.00 22.22 C ATOM 36 C ALA A 22 14.447 -13.821 14.255 1.00 51.12 C ATOM 37 O ALA A 22 13.400 -14.333 14.653 1.00 4.21 O ATOM 38 CB ALA A 22 16.718 -13.647 15.290 1.00 74.01 C ATOM 0 H ALA A 22 14.834 -13.763 17.095 1.00 4.52 H new ATOM 0 HA ALA A 22 15.431 -12.009 14.798 1.00 22.22 H new ATOM 0 HB1 ALA A 22 17.154 -13.712 14.293 1.00 74.01 H new ATOM 0 HB2 ALA A 22 17.356 -13.033 15.926 1.00 74.01 H new ATOM 0 HB3 ALA A 22 16.636 -14.647 15.716 1.00 74.01 H new ATOM 44 N HIS A 23 14.872 -13.927 12.999 1.00 33.05 N ATOM 45 CA HIS A 23 14.114 -14.668 11.996 1.00 43.42 C ATOM 46 C HIS A 23 14.920 -15.854 11.475 1.00 55.14 C ATOM 47 O HIS A 23 16.107 -15.743 11.168 1.00 33.21 O ATOM 48 CB HIS A 23 13.729 -13.748 10.836 1.00 31.53 C ATOM 49 CG HIS A 23 13.374 -12.359 11.266 1.00 13.32 C ATOM 50 ND1 HIS A 23 12.478 -12.090 12.280 1.00 31.24 N ATOM 51 CD2 HIS A 23 13.800 -11.156 10.815 1.00 10.02 C ATOM 52 CE1 HIS A 23 12.368 -10.782 12.432 1.00 33.43 C ATOM 53 NE2 HIS A 23 13.160 -10.193 11.555 1.00 30.33 N ATOM 0 H HIS A 23 15.736 -13.510 12.652 1.00 33.05 H new ATOM 0 HA HIS A 23 13.206 -15.046 12.466 1.00 43.42 H new ATOM 0 HB2 HIS A 23 14.558 -13.700 10.130 1.00 31.53 H new ATOM 0 HB3 HIS A 23 12.883 -14.182 10.304 1.00 31.53 H new ATOM 0 HD1 HIS A 23 11.978 -12.791 12.827 1.00 31.24 H new ATOM 0 HD2 HIS A 23 14.511 -10.985 10.020 1.00 10.02 H new ATOM 0 HE1 HIS A 23 11.738 -10.280 13.151 1.00 33.43 H new ATOM 61 N PRO A 24 14.261 -17.018 11.372 1.00 11.25 N ATOM 62 CA PRO A 24 14.897 -18.247 10.888 1.00 11.22 C ATOM 63 C PRO A 24 15.219 -18.186 9.399 1.00 54.14 C ATOM 64 O PRO A 24 14.636 -17.391 8.660 1.00 51.01 O ATOM 65 CB PRO A 24 13.843 -19.323 11.163 1.00 1.11 C ATOM 66 CG PRO A 24 12.546 -18.590 11.170 1.00 64.11 C ATOM 67 CD PRO A 24 12.846 -17.223 11.720 1.00 35.32 C ATOM 0 HA PRO A 24 15.853 -18.431 11.378 1.00 11.22 H new ATOM 0 HB2 PRO A 24 13.857 -20.096 10.395 1.00 1.11 H new ATOM 0 HB3 PRO A 24 14.023 -19.819 12.117 1.00 1.11 H new ATOM 0 HG2 PRO A 24 12.130 -18.524 10.165 1.00 64.11 H new ATOM 0 HG3 PRO A 24 11.810 -19.106 11.786 1.00 64.11 H new ATOM 0 HD2 PRO A 24 12.208 -16.461 11.273 1.00 35.32 H new ATOM 0 HD3 PRO A 24 12.687 -17.180 12.797 1.00 35.32 H new ATOM 75 N TYR A 25 16.148 -19.029 8.964 1.00 22.15 N ATOM 76 CA TYR A 25 16.549 -19.069 7.563 1.00 73.21 C ATOM 77 C TYR A 25 15.411 -19.582 6.686 1.00 70.55 C ATOM 78 O TYR A 25 15.262 -19.166 5.536 1.00 1.03 O ATOM 79 CB TYR A 25 17.783 -19.956 7.389 1.00 75.14 C ATOM 80 CG TYR A 25 18.254 -20.063 5.956 1.00 74.44 C ATOM 81 CD1 TYR A 25 17.676 -20.976 5.080 1.00 21.15 C ATOM 82 CD2 TYR A 25 19.276 -19.254 5.478 1.00 50.51 C ATOM 83 CE1 TYR A 25 18.104 -21.078 3.770 1.00 2.23 C ATOM 84 CE2 TYR A 25 19.710 -19.348 4.169 1.00 75.20 C ATOM 85 CZ TYR A 25 19.120 -20.262 3.320 1.00 51.21 C ATOM 86 OH TYR A 25 19.550 -20.359 2.016 1.00 53.32 O ATOM 0 H TYR A 25 16.638 -19.695 9.562 1.00 22.15 H new ATOM 0 HA TYR A 25 16.794 -18.053 7.252 1.00 73.21 H new ATOM 0 HB2 TYR A 25 18.594 -19.560 8.001 1.00 75.14 H new ATOM 0 HB3 TYR A 25 17.558 -20.954 7.764 1.00 75.14 H new ATOM 0 HD1 TYR A 25 16.879 -21.616 5.430 1.00 21.15 H new ATOM 0 HD2 TYR A 25 19.740 -18.539 6.141 1.00 50.51 H new ATOM 0 HE1 TYR A 25 17.645 -21.793 3.103 1.00 2.23 H new ATOM 0 HE2 TYR A 25 20.506 -18.710 3.813 1.00 75.20 H new ATOM 0 HH TYR A 25 20.491 -20.090 1.961 1.00 53.32 H new ATOM 96 N ASP A 26 14.610 -20.488 7.236 1.00 44.24 N ATOM 97 CA ASP A 26 13.485 -21.058 6.506 1.00 53.41 C ATOM 98 C ASP A 26 12.497 -19.971 6.095 1.00 14.22 C ATOM 99 O ASP A 26 11.779 -20.111 5.104 1.00 40.11 O ATOM 100 CB ASP A 26 12.777 -22.111 7.359 1.00 33.41 C ATOM 101 CG ASP A 26 13.406 -23.484 7.223 1.00 30.34 C ATOM 102 OD1 ASP A 26 14.533 -23.673 7.727 1.00 31.42 O ATOM 103 OD2 ASP A 26 12.770 -24.370 6.614 1.00 11.24 O ATOM 0 H ASP A 26 14.720 -20.843 8.186 1.00 44.24 H new ATOM 0 HA ASP A 26 13.872 -21.532 5.604 1.00 53.41 H new ATOM 0 HB2 ASP A 26 12.803 -21.805 8.405 1.00 33.41 H new ATOM 0 HB3 ASP A 26 11.728 -22.165 7.068 1.00 33.41 H new ATOM 108 N ARG A 27 12.464 -18.887 6.863 1.00 0.14 N ATOM 109 CA ARG A 27 11.563 -17.776 6.581 1.00 20.41 C ATOM 110 C ARG A 27 12.290 -16.662 5.834 1.00 2.44 C ATOM 111 O ARG A 27 11.668 -15.852 5.145 1.00 24.33 O ATOM 112 CB ARG A 27 10.969 -17.230 7.881 1.00 62.53 C ATOM 113 CG ARG A 27 9.537 -16.741 7.738 1.00 43.30 C ATOM 114 CD ARG A 27 8.905 -16.463 9.093 1.00 25.43 C ATOM 115 NE ARG A 27 8.659 -17.691 9.844 1.00 45.10 N ATOM 116 CZ ARG A 27 7.712 -18.568 9.531 1.00 55.53 C ATOM 117 NH1 ARG A 27 6.926 -18.353 8.484 1.00 11.30 N ATOM 118 NH2 ARG A 27 7.549 -19.662 10.263 1.00 65.14 N ATOM 0 H ARG A 27 13.051 -18.754 7.686 1.00 0.14 H new ATOM 0 HA ARG A 27 10.756 -18.147 5.949 1.00 20.41 H new ATOM 0 HB2 ARG A 27 11.003 -18.010 8.642 1.00 62.53 H new ATOM 0 HB3 ARG A 27 11.591 -16.409 8.238 1.00 62.53 H new ATOM 0 HG2 ARG A 27 9.520 -15.834 7.134 1.00 43.30 H new ATOM 0 HG3 ARG A 27 8.948 -17.488 7.207 1.00 43.30 H new ATOM 0 HD2 ARG A 27 9.559 -15.809 9.671 1.00 25.43 H new ATOM 0 HD3 ARG A 27 7.965 -15.930 8.952 1.00 25.43 H new ATOM 0 HE ARG A 27 9.247 -17.886 10.654 1.00 45.10 H new ATOM 0 HH11 ARG A 27 7.049 -17.513 7.918 1.00 11.30 H new ATOM 0 HH12 ARG A 27 6.199 -19.027 8.245 1.00 11.30 H new ATOM 0 HH21 ARG A 27 8.152 -19.831 11.068 1.00 65.14 H new ATOM 0 HH22 ARG A 27 6.821 -20.334 10.021 1.00 65.14 H new ATOM 132 N LEU A 28 13.610 -16.626 5.976 1.00 65.25 N ATOM 133 CA LEU A 28 14.423 -15.611 5.315 1.00 2.34 C ATOM 134 C LEU A 28 14.878 -16.087 3.939 1.00 31.51 C ATOM 135 O LEU A 28 15.339 -17.219 3.784 1.00 40.54 O ATOM 136 CB LEU A 28 15.641 -15.265 6.175 1.00 14.21 C ATOM 137 CG LEU A 28 15.899 -13.775 6.405 1.00 74.50 C ATOM 138 CD1 LEU A 28 15.029 -13.251 7.537 1.00 72.44 C ATOM 139 CD2 LEU A 28 17.370 -13.529 6.702 1.00 42.42 C ATOM 0 H LEU A 28 14.140 -17.288 6.543 1.00 65.25 H new ATOM 0 HA LEU A 28 13.810 -14.719 5.186 1.00 2.34 H new ATOM 0 HB2 LEU A 28 15.524 -15.747 7.146 1.00 14.21 H new ATOM 0 HB3 LEU A 28 16.525 -15.699 5.708 1.00 14.21 H new ATOM 0 HG LEU A 28 15.638 -13.235 5.495 1.00 74.50 H new ATOM 0 HD11 LEU A 28 15.226 -12.189 7.686 1.00 72.44 H new ATOM 0 HD12 LEU A 28 13.978 -13.393 7.284 1.00 72.44 H new ATOM 0 HD13 LEU A 28 15.258 -13.795 8.453 1.00 72.44 H new ATOM 0 HD21 LEU A 28 17.535 -12.464 6.863 1.00 42.42 H new ATOM 0 HD22 LEU A 28 17.658 -14.080 7.597 1.00 42.42 H new ATOM 0 HD23 LEU A 28 17.973 -13.866 5.859 1.00 42.42 H new ATOM 151 N LYS A 29 14.746 -15.218 2.944 1.00 10.23 N ATOM 152 CA LYS A 29 15.146 -15.546 1.581 1.00 60.31 C ATOM 153 C LYS A 29 16.046 -14.460 1.001 1.00 24.52 C ATOM 154 O LYS A 29 16.071 -13.331 1.491 1.00 74.32 O ATOM 155 CB LYS A 29 13.911 -15.728 0.695 1.00 5.21 C ATOM 156 CG LYS A 29 14.020 -16.895 -0.269 1.00 63.34 C ATOM 157 CD LYS A 29 13.751 -16.463 -1.701 1.00 71.33 C ATOM 158 CE LYS A 29 12.269 -16.530 -2.034 1.00 35.33 C ATOM 159 NZ LYS A 29 11.557 -15.281 -1.647 1.00 74.40 N ATOM 0 H LYS A 29 14.364 -14.279 3.056 1.00 10.23 H new ATOM 0 HA LYS A 29 15.707 -16.480 1.609 1.00 60.31 H new ATOM 0 HB2 LYS A 29 13.037 -15.873 1.330 1.00 5.21 H new ATOM 0 HB3 LYS A 29 13.744 -14.813 0.127 1.00 5.21 H new ATOM 0 HG2 LYS A 29 15.016 -17.332 -0.201 1.00 63.34 H new ATOM 0 HG3 LYS A 29 13.311 -17.672 0.017 1.00 63.34 H new ATOM 0 HD2 LYS A 29 14.113 -15.445 -1.849 1.00 71.33 H new ATOM 0 HD3 LYS A 29 14.308 -17.102 -2.386 1.00 71.33 H new ATOM 0 HE2 LYS A 29 12.144 -16.703 -3.103 1.00 35.33 H new ATOM 0 HE3 LYS A 29 11.819 -17.379 -1.519 1.00 35.33 H new ATOM 0 HZ1 LYS A 29 10.655 -15.223 -2.161 1.00 74.40 H new ATOM 0 HZ2 LYS A 29 11.373 -15.289 -0.623 1.00 74.40 H new ATOM 0 HZ3 LYS A 29 12.145 -14.458 -1.886 1.00 74.40 H new ATOM 173 N THR A 30 16.786 -14.809 -0.048 1.00 22.23 N ATOM 174 CA THR A 30 17.688 -13.864 -0.695 1.00 34.53 C ATOM 175 C THR A 30 16.941 -12.616 -1.152 1.00 31.14 C ATOM 176 O THR A 30 17.434 -11.497 -1.007 1.00 52.31 O ATOM 177 CB THR A 30 18.392 -14.500 -1.908 1.00 72.42 C ATOM 178 OG1 THR A 30 18.280 -15.927 -1.847 1.00 34.40 O ATOM 179 CG2 THR A 30 19.859 -14.103 -1.953 1.00 33.03 C ATOM 0 H THR A 30 16.778 -15.739 -0.467 1.00 22.23 H new ATOM 0 HA THR A 30 18.438 -13.585 0.045 1.00 34.53 H new ATOM 0 HB THR A 30 17.906 -14.136 -2.813 1.00 72.42 H new ATOM 0 HG1 THR A 30 18.783 -16.327 -2.587 1.00 34.40 H new ATOM 0 HG21 THR A 30 20.334 -14.565 -2.818 1.00 33.03 H new ATOM 0 HG22 THR A 30 19.940 -13.019 -2.030 1.00 33.03 H new ATOM 0 HG23 THR A 30 20.355 -14.441 -1.043 1.00 33.03 H new ATOM 187 N THR A 31 15.748 -12.815 -1.703 1.00 14.22 N ATOM 188 CA THR A 31 14.933 -11.706 -2.182 1.00 14.44 C ATOM 189 C THR A 31 13.521 -11.775 -1.612 1.00 53.02 C ATOM 190 O THR A 31 12.541 -11.565 -2.328 1.00 2.33 O ATOM 191 CB THR A 31 14.854 -11.689 -3.720 1.00 20.11 C ATOM 192 OG1 THR A 31 14.234 -12.891 -4.192 1.00 12.03 O ATOM 193 CG2 THR A 31 16.240 -11.554 -4.332 1.00 21.43 C ATOM 0 H THR A 31 15.325 -13.734 -1.829 1.00 14.22 H new ATOM 0 HA THR A 31 15.415 -10.790 -1.841 1.00 14.44 H new ATOM 0 HB THR A 31 14.256 -10.829 -4.021 1.00 20.11 H new ATOM 0 HG1 THR A 31 14.186 -12.872 -5.171 1.00 12.03 H new ATOM 0 HG21 THR A 31 16.158 -11.544 -5.419 1.00 21.43 H new ATOM 0 HG22 THR A 31 16.698 -10.624 -3.994 1.00 21.43 H new ATOM 0 HG23 THR A 31 16.858 -12.397 -4.022 1.00 21.43 H new ATOM 201 N SER A 32 13.422 -12.070 -0.320 1.00 71.42 N ATOM 202 CA SER A 32 12.128 -12.171 0.344 1.00 2.25 C ATOM 203 C SER A 32 11.680 -10.811 0.869 1.00 1.23 C ATOM 204 O SER A 32 12.503 -9.977 1.253 1.00 74.21 O ATOM 205 CB SER A 32 12.199 -13.176 1.496 1.00 24.21 C ATOM 206 OG SER A 32 11.362 -12.782 2.570 1.00 65.02 O ATOM 0 H SER A 32 14.223 -12.243 0.288 1.00 71.42 H new ATOM 0 HA SER A 32 11.398 -12.518 -0.387 1.00 2.25 H new ATOM 0 HB2 SER A 32 11.900 -14.162 1.141 1.00 24.21 H new ATOM 0 HB3 SER A 32 13.228 -13.261 1.845 1.00 24.21 H new ATOM 0 HG SER A 32 11.169 -13.558 3.136 1.00 65.02 H new ATOM 212 N THR A 33 10.369 -10.591 0.883 1.00 22.11 N ATOM 213 CA THR A 33 9.810 -9.332 1.359 1.00 10.53 C ATOM 214 C THR A 33 9.112 -9.512 2.701 1.00 35.43 C ATOM 215 O THR A 33 8.405 -8.621 3.170 1.00 51.41 O ATOM 216 CB THR A 33 8.808 -8.745 0.348 1.00 52.55 C ATOM 217 OG1 THR A 33 8.782 -9.546 -0.839 1.00 21.11 O ATOM 218 CG2 THR A 33 9.177 -7.313 -0.011 1.00 24.04 C ATOM 0 H THR A 33 9.674 -11.269 0.570 1.00 22.11 H new ATOM 0 HA THR A 33 10.645 -8.641 1.477 1.00 10.53 H new ATOM 0 HB THR A 33 7.820 -8.746 0.809 1.00 52.55 H new ATOM 0 HG1 THR A 33 8.141 -9.167 -1.476 1.00 21.11 H new ATOM 0 HG21 THR A 33 8.455 -6.920 -0.726 1.00 24.04 H new ATOM 0 HG22 THR A 33 9.168 -6.698 0.889 1.00 24.04 H new ATOM 0 HG23 THR A 33 10.173 -7.294 -0.453 1.00 24.04 H new ATOM 226 N ASP A 34 9.315 -10.672 3.318 1.00 61.54 N ATOM 227 CA ASP A 34 8.707 -10.969 4.608 1.00 33.34 C ATOM 228 C ASP A 34 8.979 -9.850 5.609 1.00 61.44 C ATOM 229 O ASP A 34 9.894 -9.043 5.440 1.00 32.13 O ATOM 230 CB ASP A 34 9.236 -12.297 5.153 1.00 63.54 C ATOM 231 CG ASP A 34 8.357 -13.471 4.770 1.00 23.34 C ATOM 232 OD1 ASP A 34 7.126 -13.380 4.966 1.00 22.11 O ATOM 233 OD2 ASP A 34 8.899 -14.482 4.276 1.00 13.22 O ATOM 0 H ASP A 34 9.897 -11.422 2.944 1.00 61.54 H new ATOM 0 HA ASP A 34 7.630 -11.048 4.463 1.00 33.34 H new ATOM 0 HB2 ASP A 34 10.245 -12.465 4.777 1.00 63.54 H new ATOM 0 HB3 ASP A 34 9.306 -12.239 6.239 1.00 63.54 H new ATOM 238 N PRO A 35 8.167 -9.799 6.675 1.00 43.53 N ATOM 239 CA PRO A 35 8.302 -8.782 7.723 1.00 74.24 C ATOM 240 C PRO A 35 9.557 -8.980 8.566 1.00 1.10 C ATOM 241 O PRO A 35 10.091 -10.086 8.652 1.00 71.05 O ATOM 242 CB PRO A 35 7.047 -8.986 8.577 1.00 42.42 C ATOM 243 CG PRO A 35 6.665 -10.408 8.356 1.00 23.32 C ATOM 244 CD PRO A 35 7.057 -10.728 6.940 1.00 11.31 C ATOM 0 HA PRO A 35 8.395 -7.778 7.308 1.00 74.24 H new ATOM 0 HB2 PRO A 35 7.249 -8.789 9.630 1.00 42.42 H new ATOM 0 HB3 PRO A 35 6.248 -8.310 8.274 1.00 42.42 H new ATOM 0 HG2 PRO A 35 7.177 -11.063 9.060 1.00 23.32 H new ATOM 0 HG3 PRO A 35 5.595 -10.552 8.507 1.00 23.32 H new ATOM 0 HD2 PRO A 35 7.369 -11.767 6.835 1.00 11.31 H new ATOM 0 HD3 PRO A 35 6.229 -10.572 6.249 1.00 11.31 H new ATOM 252 N VAL A 36 10.023 -7.901 9.187 1.00 33.32 N ATOM 253 CA VAL A 36 11.215 -7.957 10.025 1.00 44.24 C ATOM 254 C VAL A 36 11.026 -7.150 11.304 1.00 62.43 C ATOM 255 O VAL A 36 10.029 -6.448 11.465 1.00 1.34 O ATOM 256 CB VAL A 36 12.453 -7.428 9.275 1.00 63.34 C ATOM 257 CG1 VAL A 36 13.018 -8.500 8.356 1.00 43.15 C ATOM 258 CG2 VAL A 36 12.104 -6.171 8.493 1.00 60.44 C ATOM 0 H VAL A 36 9.593 -6.978 9.126 1.00 33.32 H new ATOM 0 HA VAL A 36 11.374 -9.005 10.280 1.00 44.24 H new ATOM 0 HB VAL A 36 13.219 -7.171 10.007 1.00 63.34 H new ATOM 0 HG11 VAL A 36 13.892 -8.109 7.835 1.00 43.15 H new ATOM 0 HG12 VAL A 36 13.307 -9.370 8.946 1.00 43.15 H new ATOM 0 HG13 VAL A 36 12.261 -8.791 7.628 1.00 43.15 H new ATOM 0 HG21 VAL A 36 12.989 -5.811 7.969 1.00 60.44 H new ATOM 0 HG22 VAL A 36 11.322 -6.398 7.769 1.00 60.44 H new ATOM 0 HG23 VAL A 36 11.750 -5.402 9.180 1.00 60.44 H new ATOM 268 N SER A 37 11.992 -7.255 12.211 1.00 21.54 N ATOM 269 CA SER A 37 11.930 -6.537 13.480 1.00 62.44 C ATOM 270 C SER A 37 12.559 -5.154 13.351 1.00 13.40 C ATOM 271 O SER A 37 12.819 -4.483 14.349 1.00 5.23 O ATOM 272 CB SER A 37 12.642 -7.333 14.575 1.00 62.54 C ATOM 273 OG SER A 37 11.748 -8.222 15.223 1.00 61.15 O ATOM 0 H SER A 37 12.826 -7.830 12.091 1.00 21.54 H new ATOM 0 HA SER A 37 10.881 -6.417 13.751 1.00 62.44 H new ATOM 0 HB2 SER A 37 13.468 -7.896 14.141 1.00 62.54 H new ATOM 0 HB3 SER A 37 13.072 -6.648 15.306 1.00 62.54 H new ATOM 0 HG SER A 37 12.219 -9.050 15.452 1.00 61.15 H new ATOM 279 N ASP A 38 12.800 -4.733 12.114 1.00 41.13 N ATOM 280 CA ASP A 38 13.397 -3.428 11.853 1.00 61.42 C ATOM 281 C ASP A 38 14.848 -3.392 12.319 1.00 44.22 C ATOM 282 O ASP A 38 15.162 -2.816 13.361 1.00 31.13 O ATOM 283 CB ASP A 38 12.596 -2.328 12.552 1.00 52.33 C ATOM 284 CG ASP A 38 12.766 -0.976 11.886 1.00 23.22 C ATOM 285 OD1 ASP A 38 11.876 -0.116 12.052 1.00 70.31 O ATOM 286 OD2 ASP A 38 13.791 -0.778 11.201 1.00 20.23 O ATOM 0 H ASP A 38 12.591 -5.276 11.276 1.00 41.13 H new ATOM 0 HA ASP A 38 13.375 -3.254 10.777 1.00 61.42 H new ATOM 0 HB2 ASP A 38 11.540 -2.598 12.555 1.00 52.33 H new ATOM 0 HB3 ASP A 38 12.911 -2.259 13.593 1.00 52.33 H new ATOM 291 N ILE A 39 15.730 -4.011 11.541 1.00 23.02 N ATOM 292 CA ILE A 39 17.148 -4.050 11.875 1.00 51.33 C ATOM 293 C ILE A 39 18.005 -3.634 10.683 1.00 23.54 C ATOM 294 O ILE A 39 17.489 -3.166 9.668 1.00 21.43 O ATOM 295 CB ILE A 39 17.580 -5.453 12.338 1.00 4.05 C ATOM 296 CG1 ILE A 39 16.477 -6.473 12.046 1.00 14.12 C ATOM 297 CG2 ILE A 39 17.918 -5.441 13.822 1.00 14.54 C ATOM 298 CD1 ILE A 39 15.357 -6.460 13.064 1.00 25.13 C ATOM 0 H ILE A 39 15.487 -4.492 10.675 1.00 23.02 H new ATOM 0 HA ILE A 39 17.299 -3.345 12.692 1.00 51.33 H new ATOM 0 HB ILE A 39 18.473 -5.743 11.784 1.00 4.05 H new ATOM 0 HG12 ILE A 39 16.062 -6.274 11.058 1.00 14.12 H new ATOM 0 HG13 ILE A 39 16.915 -7.470 12.013 1.00 14.12 H new ATOM 0 HG21 ILE A 39 18.222 -6.440 14.134 1.00 14.54 H new ATOM 0 HG22 ILE A 39 18.733 -4.741 14.004 1.00 14.54 H new ATOM 0 HG23 ILE A 39 17.042 -5.133 14.392 1.00 14.54 H new ATOM 0 HD11 ILE A 39 14.611 -7.208 12.794 1.00 25.13 H new ATOM 0 HD12 ILE A 39 15.760 -6.689 14.051 1.00 25.13 H new ATOM 0 HD13 ILE A 39 14.893 -5.474 13.081 1.00 25.13 H new ATOM 310 N ASP A 40 19.315 -3.810 10.815 1.00 73.34 N ATOM 311 CA ASP A 40 20.244 -3.457 9.747 1.00 44.34 C ATOM 312 C ASP A 40 19.757 -3.991 8.404 1.00 41.24 C ATOM 313 O ASP A 40 19.955 -5.162 8.081 1.00 35.42 O ATOM 314 CB ASP A 40 21.638 -4.005 10.053 1.00 23.14 C ATOM 315 CG ASP A 40 22.127 -3.608 11.433 1.00 54.13 C ATOM 316 OD1 ASP A 40 21.813 -4.328 12.403 1.00 60.30 O ATOM 317 OD2 ASP A 40 22.823 -2.577 11.541 1.00 4.12 O ATOM 0 H ASP A 40 19.758 -4.194 11.650 1.00 73.34 H new ATOM 0 HA ASP A 40 20.295 -2.370 9.688 1.00 44.34 H new ATOM 0 HB2 ASP A 40 21.623 -5.092 9.975 1.00 23.14 H new ATOM 0 HB3 ASP A 40 22.341 -3.641 9.303 1.00 23.14 H new ATOM 322 N VAL A 41 19.119 -3.124 7.624 1.00 33.23 N ATOM 323 CA VAL A 41 18.603 -3.509 6.315 1.00 4.44 C ATOM 324 C VAL A 41 19.725 -3.996 5.405 1.00 71.03 C ATOM 325 O VAL A 41 19.573 -4.986 4.689 1.00 1.22 O ATOM 326 CB VAL A 41 17.875 -2.336 5.632 1.00 5.23 C ATOM 327 CG1 VAL A 41 17.401 -2.738 4.244 1.00 51.43 C ATOM 328 CG2 VAL A 41 16.709 -1.862 6.487 1.00 60.42 C ATOM 0 H VAL A 41 18.947 -2.151 7.876 1.00 33.23 H new ATOM 0 HA VAL A 41 17.894 -4.320 6.479 1.00 4.44 H new ATOM 0 HB VAL A 41 18.576 -1.508 5.525 1.00 5.23 H new ATOM 0 HG11 VAL A 41 16.889 -1.897 3.777 1.00 51.43 H new ATOM 0 HG12 VAL A 41 18.259 -3.024 3.635 1.00 51.43 H new ATOM 0 HG13 VAL A 41 16.715 -3.581 4.324 1.00 51.43 H new ATOM 0 HG21 VAL A 41 16.206 -1.033 5.989 1.00 60.42 H new ATOM 0 HG22 VAL A 41 16.004 -2.682 6.628 1.00 60.42 H new ATOM 0 HG23 VAL A 41 17.080 -1.531 7.457 1.00 60.42 H new ATOM 338 N THR A 42 20.853 -3.293 5.436 1.00 23.12 N ATOM 339 CA THR A 42 22.001 -3.653 4.614 1.00 62.34 C ATOM 340 C THR A 42 22.584 -4.995 5.040 1.00 74.23 C ATOM 341 O THR A 42 23.330 -5.625 4.290 1.00 65.34 O ATOM 342 CB THR A 42 23.104 -2.580 4.688 1.00 65.30 C ATOM 343 OG1 THR A 42 22.720 -1.547 5.601 1.00 44.42 O ATOM 344 CG2 THR A 42 23.369 -1.980 3.316 1.00 51.20 C ATOM 0 H THR A 42 20.996 -2.471 6.022 1.00 23.12 H new ATOM 0 HA THR A 42 21.643 -3.725 3.587 1.00 62.34 H new ATOM 0 HB THR A 42 24.020 -3.055 5.041 1.00 65.30 H new ATOM 0 HG1 THR A 42 23.427 -0.869 5.644 1.00 44.42 H new ATOM 0 HG21 THR A 42 24.151 -1.225 3.394 1.00 51.20 H new ATOM 0 HG22 THR A 42 23.689 -2.765 2.631 1.00 51.20 H new ATOM 0 HG23 THR A 42 22.456 -1.519 2.938 1.00 51.20 H new ATOM 352 N ARG A 43 22.236 -5.429 6.247 1.00 64.43 N ATOM 353 CA ARG A 43 22.726 -6.699 6.772 1.00 5.43 C ATOM 354 C ARG A 43 21.567 -7.633 7.103 1.00 30.20 C ATOM 355 O ARG A 43 21.532 -8.241 8.173 1.00 20.24 O ATOM 356 CB ARG A 43 23.577 -6.463 8.022 1.00 2.24 C ATOM 357 CG ARG A 43 24.937 -5.852 7.727 1.00 53.30 C ATOM 358 CD ARG A 43 25.542 -5.213 8.967 1.00 70.33 C ATOM 359 NE ARG A 43 24.864 -3.971 9.329 1.00 45.14 N ATOM 360 CZ ARG A 43 25.022 -2.829 8.669 1.00 14.13 C ATOM 361 NH1 ARG A 43 25.828 -2.771 7.618 1.00 21.51 N ATOM 362 NH2 ARG A 43 24.370 -1.741 9.059 1.00 32.33 N ATOM 0 H ARG A 43 21.618 -4.921 6.879 1.00 64.43 H new ATOM 0 HA ARG A 43 23.341 -7.169 6.004 1.00 5.43 H new ATOM 0 HB2 ARG A 43 23.034 -5.807 8.703 1.00 2.24 H new ATOM 0 HB3 ARG A 43 23.719 -7.412 8.539 1.00 2.24 H new ATOM 0 HG2 ARG A 43 25.609 -6.623 7.349 1.00 53.30 H new ATOM 0 HG3 ARG A 43 24.838 -5.102 6.942 1.00 53.30 H new ATOM 0 HD2 ARG A 43 25.485 -5.913 9.800 1.00 70.33 H new ATOM 0 HD3 ARG A 43 26.599 -5.011 8.792 1.00 70.33 H new ATOM 0 HE ARG A 43 24.235 -3.981 10.132 1.00 45.14 H new ATOM 0 HH11 ARG A 43 26.330 -3.605 7.313 1.00 21.51 H new ATOM 0 HH12 ARG A 43 25.946 -1.892 7.114 1.00 21.51 H new ATOM 0 HH21 ARG A 43 23.747 -1.781 9.866 1.00 32.33 H new ATOM 0 HH22 ARG A 43 24.492 -0.864 8.552 1.00 32.33 H new ATOM 376 N ARG A 44 20.619 -7.743 6.177 1.00 23.22 N ATOM 377 CA ARG A 44 19.458 -8.603 6.371 1.00 62.12 C ATOM 378 C ARG A 44 19.884 -10.009 6.781 1.00 42.34 C ATOM 379 O ARG A 44 19.244 -10.642 7.618 1.00 33.54 O ATOM 380 CB ARG A 44 18.624 -8.665 5.089 1.00 12.21 C ATOM 381 CG ARG A 44 17.401 -9.560 5.201 1.00 31.24 C ATOM 382 CD ARG A 44 16.118 -8.746 5.257 1.00 15.32 C ATOM 383 NE ARG A 44 15.416 -8.741 3.976 1.00 65.24 N ATOM 384 CZ ARG A 44 14.521 -7.823 3.630 1.00 62.30 C ATOM 385 NH1 ARG A 44 14.221 -6.839 4.466 1.00 11.20 N ATOM 386 NH2 ARG A 44 13.925 -7.888 2.446 1.00 43.42 N ATOM 0 H ARG A 44 20.633 -7.247 5.286 1.00 23.22 H new ATOM 0 HA ARG A 44 18.852 -8.178 7.172 1.00 62.12 H new ATOM 0 HB2 ARG A 44 18.303 -7.657 4.825 1.00 12.21 H new ATOM 0 HB3 ARG A 44 19.253 -9.023 4.274 1.00 12.21 H new ATOM 0 HG2 ARG A 44 17.366 -10.238 4.348 1.00 31.24 H new ATOM 0 HG3 ARG A 44 17.481 -10.177 6.096 1.00 31.24 H new ATOM 0 HD2 ARG A 44 15.463 -9.154 6.027 1.00 15.32 H new ATOM 0 HD3 ARG A 44 16.351 -7.721 5.546 1.00 15.32 H new ATOM 0 HE ARG A 44 15.625 -9.485 3.310 1.00 65.24 H new ATOM 0 HH11 ARG A 44 14.678 -6.786 5.376 1.00 11.20 H new ATOM 0 HH12 ARG A 44 13.533 -6.135 4.199 1.00 11.20 H new ATOM 0 HH21 ARG A 44 14.154 -8.644 1.800 1.00 43.42 H new ATOM 0 HH22 ARG A 44 13.238 -7.182 2.182 1.00 43.42 H new ATOM 400 N GLU A 45 20.971 -10.490 6.184 1.00 32.31 N ATOM 401 CA GLU A 45 21.482 -11.822 6.487 1.00 75.32 C ATOM 402 C GLU A 45 21.772 -11.967 7.978 1.00 12.23 C ATOM 403 O GLU A 45 21.665 -13.058 8.539 1.00 4.51 O ATOM 404 CB GLU A 45 22.750 -12.102 5.679 1.00 24.54 C ATOM 405 CG GLU A 45 23.963 -11.326 6.164 1.00 51.21 C ATOM 406 CD GLU A 45 23.841 -9.835 5.909 1.00 63.11 C ATOM 407 OE1 GLU A 45 23.171 -9.455 4.927 1.00 21.00 O ATOM 408 OE2 GLU A 45 24.417 -9.050 6.692 1.00 60.32 O ATOM 0 H GLU A 45 21.514 -9.978 5.489 1.00 32.31 H new ATOM 0 HA GLU A 45 20.717 -12.548 6.211 1.00 75.32 H new ATOM 0 HB2 GLU A 45 22.970 -13.169 5.722 1.00 24.54 H new ATOM 0 HB3 GLU A 45 22.566 -11.856 4.633 1.00 24.54 H new ATOM 0 HG2 GLU A 45 24.097 -11.499 7.232 1.00 51.21 H new ATOM 0 HG3 GLU A 45 24.855 -11.705 5.665 1.00 51.21 H new ATOM 415 N ALA A 46 22.138 -10.859 8.614 1.00 25.31 N ATOM 416 CA ALA A 46 22.443 -10.862 10.039 1.00 31.12 C ATOM 417 C ALA A 46 21.183 -11.085 10.869 1.00 23.01 C ATOM 418 O ALA A 46 21.258 -11.365 12.066 1.00 22.31 O ATOM 419 CB ALA A 46 23.115 -9.556 10.438 1.00 71.13 C ATOM 0 H ALA A 46 22.230 -9.948 8.165 1.00 25.31 H new ATOM 0 HA ALA A 46 23.128 -11.686 10.237 1.00 31.12 H new ATOM 0 HB1 ALA A 46 23.337 -9.572 11.505 1.00 71.13 H new ATOM 0 HB2 ALA A 46 24.042 -9.437 9.876 1.00 71.13 H new ATOM 0 HB3 ALA A 46 22.448 -8.722 10.219 1.00 71.13 H new ATOM 425 N TYR A 47 20.028 -10.959 10.227 1.00 33.25 N ATOM 426 CA TYR A 47 18.751 -11.144 10.907 1.00 32.02 C ATOM 427 C TYR A 47 18.616 -12.570 11.432 1.00 13.14 C ATOM 428 O TYR A 47 17.732 -12.866 12.239 1.00 71.34 O ATOM 429 CB TYR A 47 17.593 -10.826 9.960 1.00 43.41 C ATOM 430 CG TYR A 47 17.545 -9.376 9.530 1.00 74.32 C ATOM 431 CD1 TYR A 47 16.613 -8.940 8.595 1.00 72.45 C ATOM 432 CD2 TYR A 47 18.430 -8.445 10.056 1.00 41.30 C ATOM 433 CE1 TYR A 47 16.565 -7.619 8.198 1.00 13.45 C ATOM 434 CE2 TYR A 47 18.388 -7.120 9.666 1.00 22.22 C ATOM 435 CZ TYR A 47 17.454 -6.712 8.737 1.00 41.51 C ATOM 436 OH TYR A 47 17.410 -5.393 8.345 1.00 71.13 O ATOM 0 H TYR A 47 19.949 -10.729 9.236 1.00 33.25 H new ATOM 0 HA TYR A 47 18.717 -10.459 11.754 1.00 32.02 H new ATOM 0 HB2 TYR A 47 17.675 -11.457 9.075 1.00 43.41 H new ATOM 0 HB3 TYR A 47 16.653 -11.083 10.449 1.00 43.41 H new ATOM 0 HD1 TYR A 47 15.915 -9.647 8.172 1.00 72.45 H new ATOM 0 HD2 TYR A 47 19.164 -8.762 10.782 1.00 41.30 H new ATOM 0 HE1 TYR A 47 15.836 -7.297 7.469 1.00 13.45 H new ATOM 0 HE2 TYR A 47 19.083 -6.408 10.086 1.00 22.22 H new ATOM 0 HH TYR A 47 16.530 -5.018 8.556 1.00 71.13 H new ATOM 446 N LEU A 48 19.496 -13.450 10.971 1.00 43.55 N ATOM 447 CA LEU A 48 19.478 -14.846 11.393 1.00 53.12 C ATOM 448 C LEU A 48 20.247 -15.031 12.697 1.00 14.30 C ATOM 449 O LEU A 48 21.041 -14.175 13.086 1.00 4.05 O ATOM 450 CB LEU A 48 20.077 -15.737 10.303 1.00 31.03 C ATOM 451 CG LEU A 48 19.102 -16.680 9.597 1.00 63.21 C ATOM 452 CD1 LEU A 48 19.773 -17.345 8.404 1.00 14.32 C ATOM 453 CD2 LEU A 48 18.576 -17.727 10.567 1.00 62.33 C ATOM 0 H LEU A 48 20.233 -13.222 10.304 1.00 43.55 H new ATOM 0 HA LEU A 48 18.441 -15.136 11.561 1.00 53.12 H new ATOM 0 HB2 LEU A 48 20.540 -15.097 9.552 1.00 31.03 H new ATOM 0 HB3 LEU A 48 20.873 -16.335 10.747 1.00 31.03 H new ATOM 0 HG LEU A 48 18.258 -16.094 9.234 1.00 63.21 H new ATOM 0 HD11 LEU A 48 19.065 -18.013 7.914 1.00 14.32 H new ATOM 0 HD12 LEU A 48 20.100 -16.581 7.698 1.00 14.32 H new ATOM 0 HD13 LEU A 48 20.635 -17.918 8.744 1.00 14.32 H new ATOM 0 HD21 LEU A 48 17.884 -18.389 10.047 1.00 62.33 H new ATOM 0 HD22 LEU A 48 19.409 -18.309 10.961 1.00 62.33 H new ATOM 0 HD23 LEU A 48 18.058 -17.234 11.389 1.00 62.33 H new ATOM 465 N SER A 49 20.007 -16.154 13.365 1.00 31.04 N ATOM 466 CA SER A 49 20.675 -16.451 14.627 1.00 44.34 C ATOM 467 C SER A 49 22.157 -16.738 14.401 1.00 21.25 C ATOM 468 O SER A 49 22.554 -17.212 13.338 1.00 54.14 O ATOM 469 CB SER A 49 20.011 -17.647 15.312 1.00 43.24 C ATOM 470 OG SER A 49 18.781 -17.972 14.689 1.00 23.35 O ATOM 0 H SER A 49 19.355 -16.874 13.054 1.00 31.04 H new ATOM 0 HA SER A 49 20.585 -15.577 15.272 1.00 44.34 H new ATOM 0 HB2 SER A 49 20.679 -18.508 15.276 1.00 43.24 H new ATOM 0 HB3 SER A 49 19.840 -17.419 16.364 1.00 43.24 H new ATOM 0 HG SER A 49 18.949 -18.544 13.911 1.00 23.35 H new ATOM 476 N SER A 50 22.970 -16.446 15.412 1.00 71.12 N ATOM 477 CA SER A 50 24.408 -16.669 15.324 1.00 64.01 C ATOM 478 C SER A 50 24.711 -18.096 14.877 1.00 45.41 C ATOM 479 O SER A 50 25.736 -18.356 14.248 1.00 42.42 O ATOM 480 CB SER A 50 25.072 -16.394 16.676 1.00 60.34 C ATOM 481 OG SER A 50 26.481 -16.516 16.586 1.00 44.44 O ATOM 0 H SER A 50 22.657 -16.055 16.301 1.00 71.12 H new ATOM 0 HA SER A 50 24.812 -15.981 14.582 1.00 64.01 H new ATOM 0 HB2 SER A 50 24.812 -15.391 17.015 1.00 60.34 H new ATOM 0 HB3 SER A 50 24.690 -17.092 17.421 1.00 60.34 H new ATOM 0 HG SER A 50 26.882 -16.334 17.462 1.00 44.44 H new ATOM 487 N GLU A 51 23.811 -19.017 15.207 1.00 22.12 N ATOM 488 CA GLU A 51 23.982 -20.417 14.840 1.00 32.21 C ATOM 489 C GLU A 51 23.655 -20.638 13.366 1.00 43.12 C ATOM 490 O GLU A 51 24.494 -21.107 12.598 1.00 2.42 O ATOM 491 CB GLU A 51 23.090 -21.308 15.710 1.00 45.34 C ATOM 492 CG GLU A 51 23.207 -21.018 17.197 1.00 42.35 C ATOM 493 CD GLU A 51 22.291 -21.889 18.035 1.00 43.24 C ATOM 494 OE1 GLU A 51 22.648 -23.061 18.278 1.00 2.22 O ATOM 495 OE2 GLU A 51 21.218 -21.400 18.446 1.00 64.04 O ATOM 0 H GLU A 51 22.957 -18.818 15.728 1.00 22.12 H new ATOM 0 HA GLU A 51 25.025 -20.684 15.007 1.00 32.21 H new ATOM 0 HB2 GLU A 51 22.052 -21.179 15.404 1.00 45.34 H new ATOM 0 HB3 GLU A 51 23.348 -22.352 15.530 1.00 45.34 H new ATOM 0 HG2 GLU A 51 24.239 -21.172 17.513 1.00 42.35 H new ATOM 0 HG3 GLU A 51 22.971 -19.969 17.379 1.00 42.35 H new ATOM 502 N GLU A 52 22.429 -20.296 12.980 1.00 61.50 N ATOM 503 CA GLU A 52 21.992 -20.458 11.599 1.00 55.13 C ATOM 504 C GLU A 52 22.834 -19.602 10.657 1.00 12.12 C ATOM 505 O GLU A 52 23.387 -20.098 9.677 1.00 71.13 O ATOM 506 CB GLU A 52 20.514 -20.086 11.462 1.00 1.21 C ATOM 507 CG GLU A 52 19.571 -21.265 11.623 1.00 23.23 C ATOM 508 CD GLU A 52 19.723 -22.291 10.515 1.00 4.53 C ATOM 509 OE1 GLU A 52 19.876 -23.488 10.834 1.00 71.13 O ATOM 510 OE2 GLU A 52 19.692 -21.894 9.332 1.00 53.01 O ATOM 0 H GLU A 52 21.723 -19.906 13.604 1.00 61.50 H new ATOM 0 HA GLU A 52 22.123 -21.505 11.324 1.00 55.13 H new ATOM 0 HB2 GLU A 52 20.268 -19.331 12.208 1.00 1.21 H new ATOM 0 HB3 GLU A 52 20.352 -19.633 10.484 1.00 1.21 H new ATOM 0 HG2 GLU A 52 19.756 -21.744 12.584 1.00 23.23 H new ATOM 0 HG3 GLU A 52 18.543 -20.903 11.639 1.00 23.23 H new ATOM 517 N PHE A 53 22.925 -18.312 10.963 1.00 15.44 N ATOM 518 CA PHE A 53 23.696 -17.384 10.145 1.00 42.44 C ATOM 519 C PHE A 53 25.095 -17.930 9.877 1.00 63.22 C ATOM 520 O PHE A 53 25.510 -18.072 8.726 1.00 45.10 O ATOM 521 CB PHE A 53 23.792 -16.021 10.833 1.00 50.14 C ATOM 522 CG PHE A 53 24.889 -15.150 10.289 1.00 35.14 C ATOM 523 CD1 PHE A 53 26.176 -15.239 10.793 1.00 63.41 C ATOM 524 CD2 PHE A 53 24.632 -14.243 9.274 1.00 64.12 C ATOM 525 CE1 PHE A 53 27.188 -14.441 10.295 1.00 3.41 C ATOM 526 CE2 PHE A 53 25.640 -13.441 8.772 1.00 53.04 C ATOM 527 CZ PHE A 53 26.919 -13.539 9.284 1.00 35.00 C ATOM 0 H PHE A 53 22.474 -17.886 11.772 1.00 15.44 H new ATOM 0 HA PHE A 53 23.181 -17.266 9.192 1.00 42.44 H new ATOM 0 HB2 PHE A 53 22.840 -15.501 10.726 1.00 50.14 H new ATOM 0 HB3 PHE A 53 23.955 -16.172 11.900 1.00 50.14 H new ATOM 0 HD1 PHE A 53 26.391 -15.941 11.585 1.00 63.41 H new ATOM 0 HD2 PHE A 53 23.634 -14.162 8.871 1.00 64.12 H new ATOM 0 HE1 PHE A 53 28.188 -14.522 10.696 1.00 3.41 H new ATOM 0 HE2 PHE A 53 25.427 -12.738 7.980 1.00 53.04 H new ATOM 0 HZ PHE A 53 27.707 -12.912 8.895 1.00 35.00 H new ATOM 537 N LYS A 54 25.820 -18.236 10.948 1.00 10.33 N ATOM 538 CA LYS A 54 27.173 -18.767 10.832 1.00 31.34 C ATOM 539 C LYS A 54 27.158 -20.160 10.210 1.00 43.50 C ATOM 540 O LYS A 54 28.148 -20.597 9.624 1.00 22.23 O ATOM 541 CB LYS A 54 27.843 -18.817 12.207 1.00 62.22 C ATOM 542 CG LYS A 54 27.608 -20.121 12.951 1.00 10.20 C ATOM 543 CD LYS A 54 28.221 -20.088 14.340 1.00 15.33 C ATOM 544 CE LYS A 54 29.660 -20.579 14.327 1.00 70.02 C ATOM 545 NZ LYS A 54 30.102 -21.040 15.672 1.00 22.11 N ATOM 0 H LYS A 54 25.492 -18.125 11.908 1.00 10.33 H new ATOM 0 HA LYS A 54 27.743 -18.104 10.182 1.00 31.34 H new ATOM 0 HB2 LYS A 54 28.916 -18.666 12.085 1.00 62.22 H new ATOM 0 HB3 LYS A 54 27.472 -17.991 12.813 1.00 62.22 H new ATOM 0 HG2 LYS A 54 26.537 -20.308 13.029 1.00 10.20 H new ATOM 0 HG3 LYS A 54 28.036 -20.947 12.383 1.00 10.20 H new ATOM 0 HD2 LYS A 54 28.186 -19.071 14.730 1.00 15.33 H new ATOM 0 HD3 LYS A 54 27.630 -20.708 15.014 1.00 15.33 H new ATOM 0 HE2 LYS A 54 29.758 -21.397 13.613 1.00 70.02 H new ATOM 0 HE3 LYS A 54 30.314 -19.777 13.985 1.00 70.02 H new ATOM 0 HZ1 LYS A 54 31.088 -21.367 15.620 1.00 22.11 H new ATOM 0 HZ2 LYS A 54 30.033 -20.253 16.349 1.00 22.11 H new ATOM 0 HZ3 LYS A 54 29.494 -21.823 15.988 1.00 22.11 H new ATOM 559 N GLU A 55 26.030 -20.850 10.341 1.00 42.41 N ATOM 560 CA GLU A 55 25.889 -22.193 9.791 1.00 52.21 C ATOM 561 C GLU A 55 25.690 -22.143 8.279 1.00 52.42 C ATOM 562 O GLU A 55 25.997 -23.100 7.568 1.00 63.42 O ATOM 563 CB GLU A 55 24.710 -22.915 10.448 1.00 62.33 C ATOM 564 CG GLU A 55 24.379 -24.250 9.801 1.00 11.04 C ATOM 565 CD GLU A 55 25.588 -25.158 9.683 1.00 52.11 C ATOM 566 OE1 GLU A 55 26.289 -25.345 10.699 1.00 62.20 O ATOM 567 OE2 GLU A 55 25.833 -25.678 8.575 1.00 33.31 O ATOM 0 H GLU A 55 25.201 -20.502 10.823 1.00 42.41 H new ATOM 0 HA GLU A 55 26.806 -22.743 10.001 1.00 52.21 H new ATOM 0 HB2 GLU A 55 24.935 -23.077 11.502 1.00 62.33 H new ATOM 0 HB3 GLU A 55 23.831 -22.272 10.405 1.00 62.33 H new ATOM 0 HG2 GLU A 55 23.608 -24.752 10.386 1.00 11.04 H new ATOM 0 HG3 GLU A 55 23.963 -24.075 8.809 1.00 11.04 H new ATOM 574 N LYS A 56 25.172 -21.019 7.793 1.00 61.53 N ATOM 575 CA LYS A 56 24.932 -20.842 6.365 1.00 32.42 C ATOM 576 C LYS A 56 26.127 -20.177 5.691 1.00 41.14 C ATOM 577 O LYS A 56 26.414 -20.431 4.521 1.00 71.33 O ATOM 578 CB LYS A 56 23.673 -20.002 6.139 1.00 22.43 C ATOM 579 CG LYS A 56 22.436 -20.829 5.834 1.00 24.35 C ATOM 580 CD LYS A 56 22.377 -21.225 4.369 1.00 13.02 C ATOM 581 CE LYS A 56 21.393 -22.362 4.137 1.00 41.11 C ATOM 582 NZ LYS A 56 21.174 -22.618 2.686 1.00 22.33 N ATOM 0 H LYS A 56 24.911 -20.217 8.367 1.00 61.53 H new ATOM 0 HA LYS A 56 24.789 -21.827 5.921 1.00 32.42 H new ATOM 0 HB2 LYS A 56 23.486 -19.397 7.026 1.00 22.43 H new ATOM 0 HB3 LYS A 56 23.850 -19.311 5.315 1.00 22.43 H new ATOM 0 HG2 LYS A 56 22.435 -21.725 6.454 1.00 24.35 H new ATOM 0 HG3 LYS A 56 21.544 -20.260 6.094 1.00 24.35 H new ATOM 0 HD2 LYS A 56 22.086 -20.363 3.770 1.00 13.02 H new ATOM 0 HD3 LYS A 56 23.369 -21.527 4.033 1.00 13.02 H new ATOM 0 HE2 LYS A 56 21.766 -23.268 4.614 1.00 41.11 H new ATOM 0 HE3 LYS A 56 20.441 -22.121 4.611 1.00 41.11 H new ATOM 0 HZ1 LYS A 56 20.773 -23.569 2.558 1.00 22.33 H new ATOM 0 HZ2 LYS A 56 20.515 -21.910 2.304 1.00 22.33 H new ATOM 0 HZ3 LYS A 56 22.081 -22.554 2.181 1.00 22.33 H new ATOM 596 N PHE A 57 26.822 -19.324 6.436 1.00 23.24 N ATOM 597 CA PHE A 57 27.988 -18.622 5.910 1.00 12.15 C ATOM 598 C PHE A 57 29.279 -19.296 6.365 1.00 32.11 C ATOM 599 O PHE A 57 30.334 -19.113 5.759 1.00 10.12 O ATOM 600 CB PHE A 57 27.975 -17.160 6.361 1.00 22.21 C ATOM 601 CG PHE A 57 26.816 -16.374 5.818 1.00 60.33 C ATOM 602 CD1 PHE A 57 26.719 -16.107 4.462 1.00 51.54 C ATOM 603 CD2 PHE A 57 25.824 -15.904 6.662 1.00 24.33 C ATOM 604 CE1 PHE A 57 25.654 -15.384 3.958 1.00 21.23 C ATOM 605 CE2 PHE A 57 24.756 -15.181 6.165 1.00 31.40 C ATOM 606 CZ PHE A 57 24.672 -14.920 4.812 1.00 74.43 C ATOM 0 H PHE A 57 26.598 -19.102 7.406 1.00 23.24 H new ATOM 0 HA PHE A 57 27.944 -18.659 4.822 1.00 12.15 H new ATOM 0 HB2 PHE A 57 27.949 -17.125 7.450 1.00 22.21 H new ATOM 0 HB3 PHE A 57 28.904 -16.684 6.049 1.00 22.21 H new ATOM 0 HD1 PHE A 57 27.484 -16.468 3.791 1.00 51.54 H new ATOM 0 HD2 PHE A 57 25.886 -16.105 7.721 1.00 24.33 H new ATOM 0 HE1 PHE A 57 25.590 -15.182 2.899 1.00 21.23 H new ATOM 0 HE2 PHE A 57 23.988 -14.821 6.834 1.00 31.40 H new ATOM 0 HZ PHE A 57 23.839 -14.354 4.421 1.00 74.43 H new ATOM 616 N GLY A 58 29.186 -20.076 7.438 1.00 65.11 N ATOM 617 CA GLY A 58 30.355 -20.765 7.957 1.00 73.32 C ATOM 618 C GLY A 58 31.175 -19.895 8.888 1.00 14.11 C ATOM 619 O GLY A 58 32.109 -20.372 9.532 1.00 73.40 O ATOM 0 H GLY A 58 28.324 -20.243 7.957 1.00 65.11 H new ATOM 0 HA2 GLY A 58 30.038 -21.662 8.489 1.00 73.32 H new ATOM 0 HA3 GLY A 58 30.980 -21.091 7.125 1.00 73.32 H new ATOM 623 N MET A 59 30.826 -18.614 8.958 1.00 31.12 N ATOM 624 CA MET A 59 31.538 -17.676 9.817 1.00 2.44 C ATOM 625 C MET A 59 30.606 -17.092 10.875 1.00 21.50 C ATOM 626 O MET A 59 29.441 -16.806 10.601 1.00 34.04 O ATOM 627 CB MET A 59 32.149 -16.548 8.983 1.00 63.12 C ATOM 628 CG MET A 59 32.736 -17.021 7.662 1.00 4.23 C ATOM 629 SD MET A 59 34.230 -16.120 7.205 1.00 13.21 S ATOM 630 CE MET A 59 34.989 -17.278 6.069 1.00 54.45 C ATOM 0 H MET A 59 30.056 -18.203 8.431 1.00 31.12 H new ATOM 0 HA MET A 59 32.337 -18.220 10.321 1.00 2.44 H new ATOM 0 HB2 MET A 59 31.383 -15.798 8.784 1.00 63.12 H new ATOM 0 HB3 MET A 59 32.930 -16.059 9.565 1.00 63.12 H new ATOM 0 HG2 MET A 59 32.964 -18.085 7.730 1.00 4.23 H new ATOM 0 HG3 MET A 59 31.991 -16.905 6.875 1.00 4.23 H new ATOM 0 HE1 MET A 59 35.926 -16.863 5.698 1.00 54.45 H new ATOM 0 HE2 MET A 59 35.187 -18.217 6.585 1.00 54.45 H new ATOM 0 HE3 MET A 59 34.316 -17.460 5.231 1.00 54.45 H new ATOM 640 N THR A 60 31.127 -16.919 12.087 1.00 72.24 N ATOM 641 CA THR A 60 30.341 -16.372 13.186 1.00 51.15 C ATOM 642 C THR A 60 29.812 -14.984 12.844 1.00 31.21 C ATOM 643 O THR A 60 30.217 -14.379 11.852 1.00 44.22 O ATOM 644 CB THR A 60 31.169 -16.289 14.481 1.00 44.33 C ATOM 645 OG1 THR A 60 32.479 -16.824 14.261 1.00 63.23 O ATOM 646 CG2 THR A 60 30.489 -17.050 15.609 1.00 75.45 C ATOM 0 H THR A 60 32.090 -17.150 12.331 1.00 72.24 H new ATOM 0 HA THR A 60 29.502 -17.049 13.344 1.00 51.15 H new ATOM 0 HB THR A 60 31.248 -15.240 14.767 1.00 44.33 H new ATOM 0 HG1 THR A 60 33.000 -16.766 15.089 1.00 63.23 H new ATOM 0 HG21 THR A 60 31.093 -16.977 16.513 1.00 75.45 H new ATOM 0 HG22 THR A 60 29.504 -16.622 15.795 1.00 75.45 H new ATOM 0 HG23 THR A 60 30.382 -18.098 15.328 1.00 75.45 H new ATOM 654 N LYS A 61 28.903 -14.483 13.673 1.00 33.03 N ATOM 655 CA LYS A 61 28.317 -13.164 13.462 1.00 4.20 C ATOM 656 C LYS A 61 29.404 -12.101 13.333 1.00 54.13 C ATOM 657 O LYS A 61 29.440 -11.353 12.356 1.00 52.11 O ATOM 658 CB LYS A 61 27.377 -12.809 14.615 1.00 22.53 C ATOM 659 CG LYS A 61 26.394 -13.915 14.961 1.00 1.11 C ATOM 660 CD LYS A 61 24.963 -13.404 14.977 1.00 71.22 C ATOM 661 CE LYS A 61 24.392 -13.303 13.571 1.00 5.04 C ATOM 662 NZ LYS A 61 24.299 -11.890 13.111 1.00 11.34 N ATOM 0 H LYS A 61 28.555 -14.971 14.499 1.00 33.03 H new ATOM 0 HA LYS A 61 27.747 -13.192 12.533 1.00 4.20 H new ATOM 0 HB2 LYS A 61 27.971 -12.573 15.498 1.00 22.53 H new ATOM 0 HB3 LYS A 61 26.821 -11.908 14.355 1.00 22.53 H new ATOM 0 HG2 LYS A 61 26.485 -14.724 14.236 1.00 1.11 H new ATOM 0 HG3 LYS A 61 26.643 -14.333 15.937 1.00 1.11 H new ATOM 0 HD2 LYS A 61 24.344 -14.072 15.575 1.00 71.22 H new ATOM 0 HD3 LYS A 61 24.930 -12.425 15.455 1.00 71.22 H new ATOM 0 HE2 LYS A 61 25.020 -13.869 12.882 1.00 5.04 H new ATOM 0 HE3 LYS A 61 23.402 -13.759 13.547 1.00 5.04 H new ATOM 0 HZ1 LYS A 61 23.331 -11.694 12.786 1.00 11.34 H new ATOM 0 HZ2 LYS A 61 24.536 -11.252 13.898 1.00 11.34 H new ATOM 0 HZ3 LYS A 61 24.965 -11.736 12.327 1.00 11.34 H new ATOM 676 N GLU A 62 30.288 -12.043 14.324 1.00 44.53 N ATOM 677 CA GLU A 62 31.376 -11.071 14.319 1.00 73.11 C ATOM 678 C GLU A 62 32.478 -11.493 13.352 1.00 44.32 C ATOM 679 O GLU A 62 33.009 -10.674 12.602 1.00 42.13 O ATOM 680 CB GLU A 62 31.952 -10.910 15.727 1.00 40.25 C ATOM 681 CG GLU A 62 32.041 -9.464 16.186 1.00 34.55 C ATOM 682 CD GLU A 62 32.917 -9.295 17.412 1.00 4.21 C ATOM 683 OE1 GLU A 62 33.893 -10.063 17.554 1.00 51.50 O ATOM 684 OE2 GLU A 62 32.628 -8.397 18.230 1.00 55.43 O ATOM 0 H GLU A 62 30.273 -12.656 15.139 1.00 44.53 H new ATOM 0 HA GLU A 62 30.973 -10.114 13.988 1.00 73.11 H new ATOM 0 HB2 GLU A 62 31.333 -11.468 16.430 1.00 40.25 H new ATOM 0 HB3 GLU A 62 32.947 -11.354 15.756 1.00 40.25 H new ATOM 0 HG2 GLU A 62 32.436 -8.853 15.375 1.00 34.55 H new ATOM 0 HG3 GLU A 62 31.040 -9.094 16.406 1.00 34.55 H new ATOM 691 N ALA A 63 32.818 -12.778 13.375 1.00 13.54 N ATOM 692 CA ALA A 63 33.855 -13.310 12.500 1.00 71.11 C ATOM 693 C ALA A 63 33.566 -12.977 11.040 1.00 3.13 C ATOM 694 O ALA A 63 34.458 -12.565 10.299 1.00 64.03 O ATOM 695 CB ALA A 63 33.981 -14.815 12.686 1.00 42.02 C ATOM 0 H ALA A 63 32.390 -13.470 13.990 1.00 13.54 H new ATOM 0 HA ALA A 63 34.801 -12.841 12.771 1.00 71.11 H new ATOM 0 HB1 ALA A 63 34.759 -15.199 12.026 1.00 42.02 H new ATOM 0 HB2 ALA A 63 34.243 -15.033 13.721 1.00 42.02 H new ATOM 0 HB3 ALA A 63 33.032 -15.292 12.444 1.00 42.02 H new ATOM 701 N PHE A 64 32.315 -13.159 10.633 1.00 0.13 N ATOM 702 CA PHE A 64 31.909 -12.879 9.261 1.00 74.55 C ATOM 703 C PHE A 64 32.163 -11.417 8.905 1.00 33.35 C ATOM 704 O PHE A 64 32.718 -11.112 7.849 1.00 3.14 O ATOM 705 CB PHE A 64 30.428 -13.213 9.066 1.00 23.41 C ATOM 706 CG PHE A 64 29.956 -13.042 7.651 1.00 50.31 C ATOM 707 CD1 PHE A 64 29.418 -11.837 7.227 1.00 34.22 C ATOM 708 CD2 PHE A 64 30.049 -14.085 6.744 1.00 33.44 C ATOM 709 CE1 PHE A 64 28.982 -11.675 5.926 1.00 61.01 C ATOM 710 CE2 PHE A 64 29.615 -13.929 5.441 1.00 2.31 C ATOM 711 CZ PHE A 64 29.081 -12.723 5.032 1.00 34.10 C ATOM 0 H PHE A 64 31.564 -13.499 11.234 1.00 0.13 H new ATOM 0 HA PHE A 64 32.506 -13.505 8.598 1.00 74.55 H new ATOM 0 HB2 PHE A 64 30.252 -14.243 9.377 1.00 23.41 H new ATOM 0 HB3 PHE A 64 29.831 -12.576 9.719 1.00 23.41 H new ATOM 0 HD1 PHE A 64 29.339 -11.014 7.922 1.00 34.22 H new ATOM 0 HD2 PHE A 64 30.465 -15.031 7.059 1.00 33.44 H new ATOM 0 HE1 PHE A 64 28.565 -10.731 5.609 1.00 61.01 H new ATOM 0 HE2 PHE A 64 29.693 -14.750 4.743 1.00 2.31 H new ATOM 0 HZ PHE A 64 28.741 -12.599 4.014 1.00 34.10 H new ATOM 721 N TYR A 65 31.753 -10.519 9.794 1.00 5.12 N ATOM 722 CA TYR A 65 31.934 -9.089 9.574 1.00 14.01 C ATOM 723 C TYR A 65 33.392 -8.765 9.263 1.00 71.43 C ATOM 724 O TYR A 65 33.692 -7.773 8.600 1.00 45.01 O ATOM 725 CB TYR A 65 31.475 -8.301 10.802 1.00 5.11 C ATOM 726 CG TYR A 65 30.016 -8.505 11.142 1.00 62.11 C ATOM 727 CD1 TYR A 65 29.065 -8.666 10.141 1.00 25.44 C ATOM 728 CD2 TYR A 65 29.587 -8.535 12.463 1.00 1.03 C ATOM 729 CE1 TYR A 65 27.731 -8.851 10.447 1.00 75.34 C ATOM 730 CE2 TYR A 65 28.256 -8.722 12.778 1.00 12.53 C ATOM 731 CZ TYR A 65 27.330 -8.880 11.767 1.00 44.53 C ATOM 732 OH TYR A 65 26.003 -9.064 12.076 1.00 4.41 O ATOM 0 H TYR A 65 31.293 -10.756 10.673 1.00 5.12 H new ATOM 0 HA TYR A 65 31.326 -8.800 8.717 1.00 14.01 H new ATOM 0 HB2 TYR A 65 32.083 -8.592 11.658 1.00 5.11 H new ATOM 0 HB3 TYR A 65 31.654 -7.240 10.630 1.00 5.11 H new ATOM 0 HD1 TYR A 65 29.375 -8.646 9.107 1.00 25.44 H new ATOM 0 HD2 TYR A 65 30.308 -8.410 13.258 1.00 1.03 H new ATOM 0 HE1 TYR A 65 27.005 -8.972 9.657 1.00 75.34 H new ATOM 0 HE2 TYR A 65 27.941 -8.745 13.811 1.00 12.53 H new ATOM 0 HH TYR A 65 25.890 -9.060 13.049 1.00 4.41 H new ATOM 742 N LYS A 66 34.294 -9.611 9.748 1.00 44.12 N ATOM 743 CA LYS A 66 35.723 -9.419 9.522 1.00 74.31 C ATOM 744 C LYS A 66 36.034 -9.357 8.030 1.00 4.02 C ATOM 745 O LYS A 66 37.023 -8.750 7.617 1.00 71.45 O ATOM 746 CB LYS A 66 36.520 -10.551 10.173 1.00 52.10 C ATOM 747 CG LYS A 66 37.935 -10.155 10.559 1.00 74.31 C ATOM 748 CD LYS A 66 38.048 -9.874 12.048 1.00 5.43 C ATOM 749 CE LYS A 66 39.472 -10.072 12.546 1.00 32.42 C ATOM 750 NZ LYS A 66 39.511 -10.836 13.824 1.00 15.31 N ATOM 0 H LYS A 66 34.062 -10.437 10.300 1.00 44.12 H new ATOM 0 HA LYS A 66 36.013 -8.471 9.976 1.00 74.31 H new ATOM 0 HB2 LYS A 66 35.991 -10.891 11.063 1.00 52.10 H new ATOM 0 HB3 LYS A 66 36.563 -11.396 9.486 1.00 52.10 H new ATOM 0 HG2 LYS A 66 38.625 -10.953 10.285 1.00 74.31 H new ATOM 0 HG3 LYS A 66 38.232 -9.270 9.997 1.00 74.31 H new ATOM 0 HD2 LYS A 66 37.729 -8.852 12.252 1.00 5.43 H new ATOM 0 HD3 LYS A 66 37.375 -10.533 12.596 1.00 5.43 H new ATOM 0 HE2 LYS A 66 40.051 -10.601 11.789 1.00 32.42 H new ATOM 0 HE3 LYS A 66 39.945 -9.101 12.689 1.00 32.42 H new ATOM 0 HZ1 LYS A 66 40.498 -10.950 14.130 1.00 15.31 H new ATOM 0 HZ2 LYS A 66 38.979 -10.319 14.554 1.00 15.31 H new ATOM 0 HZ3 LYS A 66 39.082 -11.773 13.682 1.00 15.31 H new ATOM 764 N LEU A 67 35.184 -9.987 7.226 1.00 61.53 N ATOM 765 CA LEU A 67 35.368 -10.002 5.779 1.00 21.32 C ATOM 766 C LEU A 67 35.108 -8.622 5.183 1.00 41.14 C ATOM 767 O LEU A 67 34.464 -7.767 5.791 1.00 33.42 O ATOM 768 CB LEU A 67 34.435 -11.031 5.138 1.00 43.12 C ATOM 769 CG LEU A 67 34.933 -12.477 5.133 1.00 53.51 C ATOM 770 CD1 LEU A 67 33.844 -13.414 4.633 1.00 30.32 C ATOM 771 CD2 LEU A 67 36.185 -12.608 4.278 1.00 15.40 C ATOM 0 H LEU A 67 34.361 -10.494 7.552 1.00 61.53 H new ATOM 0 HA LEU A 67 36.402 -10.278 5.571 1.00 21.32 H new ATOM 0 HB2 LEU A 67 33.478 -10.999 5.659 1.00 43.12 H new ATOM 0 HB3 LEU A 67 34.247 -10.729 4.108 1.00 43.12 H new ATOM 0 HG LEU A 67 35.185 -12.758 6.156 1.00 53.51 H new ATOM 0 HD11 LEU A 67 34.216 -14.439 4.636 1.00 30.32 H new ATOM 0 HD12 LEU A 67 32.974 -13.342 5.286 1.00 30.32 H new ATOM 0 HD13 LEU A 67 33.561 -13.134 3.618 1.00 30.32 H new ATOM 0 HD21 LEU A 67 36.525 -13.644 4.287 1.00 15.40 H new ATOM 0 HD22 LEU A 67 35.960 -12.308 3.255 1.00 15.40 H new ATOM 0 HD23 LEU A 67 36.969 -11.966 4.680 1.00 15.40 H new ATOM 783 N PRO A 68 35.621 -8.398 3.964 1.00 74.32 N ATOM 784 CA PRO A 68 35.455 -7.125 3.257 1.00 13.23 C ATOM 785 C PRO A 68 34.017 -6.896 2.803 1.00 32.21 C ATOM 786 O PRO A 68 33.190 -7.807 2.844 1.00 1.22 O ATOM 787 CB PRO A 68 36.382 -7.268 2.047 1.00 55.31 C ATOM 788 CG PRO A 68 36.486 -8.736 1.820 1.00 13.05 C ATOM 789 CD PRO A 68 36.400 -9.373 3.180 1.00 14.43 C ATOM 0 HA PRO A 68 35.690 -6.272 3.893 1.00 13.23 H new ATOM 0 HB2 PRO A 68 35.973 -6.760 1.173 1.00 55.31 H new ATOM 0 HB3 PRO A 68 37.360 -6.828 2.243 1.00 55.31 H new ATOM 0 HG2 PRO A 68 35.683 -9.089 1.173 1.00 13.05 H new ATOM 0 HG3 PRO A 68 37.426 -8.989 1.329 1.00 13.05 H new ATOM 0 HD2 PRO A 68 35.905 -10.343 3.139 1.00 14.43 H new ATOM 0 HD3 PRO A 68 37.388 -9.537 3.610 1.00 14.43 H new ATOM 797 N LYS A 69 33.725 -5.675 2.368 1.00 5.14 N ATOM 798 CA LYS A 69 32.388 -5.326 1.905 1.00 42.22 C ATOM 799 C LYS A 69 32.047 -6.070 0.618 1.00 61.12 C ATOM 800 O LYS A 69 30.908 -6.490 0.415 1.00 54.44 O ATOM 801 CB LYS A 69 32.283 -3.816 1.677 1.00 72.22 C ATOM 802 CG LYS A 69 33.399 -3.252 0.815 1.00 13.14 C ATOM 803 CD LYS A 69 32.862 -2.678 -0.486 1.00 63.24 C ATOM 804 CE LYS A 69 33.877 -1.761 -1.151 1.00 12.32 C ATOM 805 NZ LYS A 69 34.004 -0.462 -0.432 1.00 63.41 N ATOM 0 H LYS A 69 34.398 -4.910 2.327 1.00 5.14 H new ATOM 0 HA LYS A 69 31.675 -5.622 2.675 1.00 42.22 H new ATOM 0 HB2 LYS A 69 31.325 -3.594 1.207 1.00 72.22 H new ATOM 0 HB3 LYS A 69 32.290 -3.310 2.642 1.00 72.22 H new ATOM 0 HG2 LYS A 69 33.928 -2.474 1.366 1.00 13.14 H new ATOM 0 HG3 LYS A 69 34.123 -4.037 0.596 1.00 13.14 H new ATOM 0 HD2 LYS A 69 32.605 -3.491 -1.165 1.00 63.24 H new ATOM 0 HD3 LYS A 69 31.944 -2.124 -0.289 1.00 63.24 H new ATOM 0 HE2 LYS A 69 34.848 -2.256 -1.182 1.00 12.32 H new ATOM 0 HE3 LYS A 69 33.579 -1.577 -2.183 1.00 12.32 H new ATOM 0 HZ1 LYS A 69 34.513 0.218 -1.032 1.00 63.41 H new ATOM 0 HZ2 LYS A 69 33.057 -0.091 -0.215 1.00 63.41 H new ATOM 0 HZ3 LYS A 69 34.531 -0.605 0.453 1.00 63.41 H new ATOM 819 N TRP A 70 33.042 -6.231 -0.247 1.00 70.43 N ATOM 820 CA TRP A 70 32.847 -6.927 -1.514 1.00 40.35 C ATOM 821 C TRP A 70 32.533 -8.401 -1.284 1.00 74.24 C ATOM 822 O TRP A 70 31.679 -8.977 -1.958 1.00 40.05 O ATOM 823 CB TRP A 70 34.092 -6.790 -2.393 1.00 1.32 C ATOM 824 CG TRP A 70 35.196 -7.728 -2.009 1.00 44.04 C ATOM 825 CD1 TRP A 70 36.247 -7.463 -1.178 1.00 52.44 C ATOM 826 CD2 TRP A 70 35.358 -9.082 -2.444 1.00 61.54 C ATOM 827 NE1 TRP A 70 37.053 -8.571 -1.071 1.00 14.31 N ATOM 828 CE2 TRP A 70 36.529 -9.578 -1.837 1.00 33.12 C ATOM 829 CE3 TRP A 70 34.627 -9.926 -3.285 1.00 22.11 C ATOM 830 CZ2 TRP A 70 36.984 -10.878 -2.047 1.00 13.44 C ATOM 831 CZ3 TRP A 70 35.080 -11.215 -3.493 1.00 44.21 C ATOM 832 CH2 TRP A 70 36.249 -11.681 -2.875 1.00 33.15 C ATOM 0 H TRP A 70 33.991 -5.890 -0.095 1.00 70.43 H new ATOM 0 HA TRP A 70 31.999 -6.469 -2.023 1.00 40.35 H new ATOM 0 HB2 TRP A 70 33.816 -6.971 -3.432 1.00 1.32 H new ATOM 0 HB3 TRP A 70 34.459 -5.765 -2.334 1.00 1.32 H new ATOM 0 HD1 TRP A 70 36.419 -6.521 -0.678 1.00 52.44 H new ATOM 0 HE1 TRP A 70 37.904 -8.633 -0.512 1.00 14.31 H new ATOM 0 HE3 TRP A 70 33.724 -9.577 -3.764 1.00 22.11 H new ATOM 0 HZ2 TRP A 70 37.885 -11.239 -1.573 1.00 13.44 H new ATOM 0 HZ3 TRP A 70 34.524 -11.875 -4.143 1.00 44.21 H new ATOM 0 HH2 TRP A 70 36.576 -12.694 -3.056 1.00 33.15 H new ATOM 843 N LYS A 71 33.229 -9.007 -0.329 1.00 32.23 N ATOM 844 CA LYS A 71 33.024 -10.415 -0.008 1.00 14.34 C ATOM 845 C LYS A 71 31.765 -10.603 0.834 1.00 32.21 C ATOM 846 O LYS A 71 31.029 -11.573 0.656 1.00 54.01 O ATOM 847 CB LYS A 71 34.237 -10.971 0.741 1.00 54.45 C ATOM 848 CG LYS A 71 34.190 -12.476 0.942 1.00 4.51 C ATOM 849 CD LYS A 71 35.236 -13.184 0.098 1.00 52.13 C ATOM 850 CE LYS A 71 35.561 -14.562 0.653 1.00 61.41 C ATOM 851 NZ LYS A 71 35.279 -15.639 -0.337 1.00 65.40 N ATOM 0 H LYS A 71 33.941 -8.545 0.237 1.00 32.23 H new ATOM 0 HA LYS A 71 32.901 -10.961 -0.944 1.00 14.34 H new ATOM 0 HB2 LYS A 71 35.142 -10.714 0.191 1.00 54.45 H new ATOM 0 HB3 LYS A 71 34.307 -10.485 1.714 1.00 54.45 H new ATOM 0 HG2 LYS A 71 34.352 -12.709 1.994 1.00 4.51 H new ATOM 0 HG3 LYS A 71 33.199 -12.848 0.682 1.00 4.51 H new ATOM 0 HD2 LYS A 71 34.875 -13.279 -0.926 1.00 52.13 H new ATOM 0 HD3 LYS A 71 36.144 -12.582 0.062 1.00 52.13 H new ATOM 0 HE2 LYS A 71 36.612 -14.599 0.941 1.00 61.41 H new ATOM 0 HE3 LYS A 71 34.977 -14.737 1.556 1.00 61.41 H new ATOM 0 HZ1 LYS A 71 35.513 -16.563 0.079 1.00 65.40 H new ATOM 0 HZ2 LYS A 71 34.271 -15.620 -0.593 1.00 65.40 H new ATOM 0 HZ3 LYS A 71 35.855 -15.487 -1.189 1.00 65.40 H new ATOM 865 N GLN A 72 31.524 -9.668 1.748 1.00 61.31 N ATOM 866 CA GLN A 72 30.353 -9.733 2.615 1.00 42.31 C ATOM 867 C GLN A 72 29.068 -9.762 1.794 1.00 65.20 C ATOM 868 O GLN A 72 28.124 -10.475 2.127 1.00 22.14 O ATOM 869 CB GLN A 72 30.334 -8.538 3.570 1.00 3.31 C ATOM 870 CG GLN A 72 30.903 -8.850 4.945 1.00 33.25 C ATOM 871 CD GLN A 72 30.287 -7.998 6.038 1.00 44.41 C ATOM 872 OE1 GLN A 72 29.101 -8.121 6.344 1.00 52.03 O ATOM 873 NE2 GLN A 72 31.093 -7.127 6.634 1.00 12.14 N ATOM 0 H GLN A 72 32.123 -8.858 1.907 1.00 61.31 H new ATOM 0 HA GLN A 72 30.412 -10.654 3.195 1.00 42.31 H new ATOM 0 HB2 GLN A 72 30.903 -7.720 3.127 1.00 3.31 H new ATOM 0 HB3 GLN A 72 29.308 -8.188 3.681 1.00 3.31 H new ATOM 0 HG2 GLN A 72 30.736 -9.903 5.173 1.00 33.25 H new ATOM 0 HG3 GLN A 72 31.982 -8.694 4.932 1.00 33.25 H new ATOM 0 HE21 GLN A 72 32.070 -7.058 6.349 1.00 12.14 H new ATOM 0 HE22 GLN A 72 30.735 -6.527 7.377 1.00 12.14 H new ATOM 882 N ASN A 73 29.041 -8.981 0.718 1.00 22.21 N ATOM 883 CA ASN A 73 27.872 -8.917 -0.151 1.00 22.44 C ATOM 884 C ASN A 73 27.777 -10.162 -1.027 1.00 73.14 C ATOM 885 O ASN A 73 26.687 -10.574 -1.426 1.00 11.34 O ATOM 886 CB ASN A 73 27.930 -7.664 -1.027 1.00 32.34 C ATOM 887 CG ASN A 73 26.832 -6.673 -0.692 1.00 23.43 C ATOM 888 OD1 ASN A 73 26.337 -6.636 0.435 1.00 55.15 O ATOM 889 ND2 ASN A 73 26.446 -5.864 -1.671 1.00 62.33 N ATOM 0 H ASN A 73 29.815 -8.384 0.428 1.00 22.21 H new ATOM 0 HA ASN A 73 26.983 -8.870 0.479 1.00 22.44 H new ATOM 0 HB2 ASN A 73 28.900 -7.183 -0.904 1.00 32.34 H new ATOM 0 HB3 ASN A 73 27.848 -7.952 -2.075 1.00 32.34 H new ATOM 0 HD21 ASN A 73 25.711 -5.176 -1.505 1.00 62.33 H new ATOM 0 HD22 ASN A 73 26.884 -5.930 -2.590 1.00 62.33 H new ATOM 896 N LYS A 74 28.927 -10.758 -1.326 1.00 2.34 N ATOM 897 CA LYS A 74 28.976 -11.957 -2.154 1.00 52.21 C ATOM 898 C LYS A 74 28.456 -13.169 -1.388 1.00 11.11 C ATOM 899 O LYS A 74 27.560 -13.872 -1.855 1.00 74.40 O ATOM 900 CB LYS A 74 30.408 -12.215 -2.628 1.00 70.25 C ATOM 901 CG LYS A 74 30.907 -11.198 -3.640 1.00 31.43 C ATOM 902 CD LYS A 74 30.544 -11.599 -5.060 1.00 44.40 C ATOM 903 CE LYS A 74 31.662 -12.394 -5.717 1.00 1.32 C ATOM 904 NZ LYS A 74 32.521 -11.535 -6.579 1.00 11.14 N ATOM 0 H LYS A 74 29.838 -10.429 -1.007 1.00 2.34 H new ATOM 0 HA LYS A 74 28.336 -11.796 -3.021 1.00 52.21 H new ATOM 0 HB2 LYS A 74 31.073 -12.212 -1.765 1.00 70.25 H new ATOM 0 HB3 LYS A 74 30.462 -13.210 -3.069 1.00 70.25 H new ATOM 0 HG2 LYS A 74 30.479 -10.221 -3.416 1.00 31.43 H new ATOM 0 HG3 LYS A 74 31.989 -11.099 -3.554 1.00 31.43 H new ATOM 0 HD2 LYS A 74 29.631 -12.194 -5.049 1.00 44.40 H new ATOM 0 HD3 LYS A 74 30.336 -10.706 -5.650 1.00 44.40 H new ATOM 0 HE2 LYS A 74 32.274 -12.864 -4.947 1.00 1.32 H new ATOM 0 HE3 LYS A 74 31.233 -13.197 -6.317 1.00 1.32 H new ATOM 0 HZ1 LYS A 74 33.271 -12.114 -7.009 1.00 11.14 H new ATOM 0 HZ2 LYS A 74 31.942 -11.107 -7.329 1.00 11.14 H new ATOM 0 HZ3 LYS A 74 32.951 -10.784 -6.002 1.00 11.14 H new ATOM 918 N PHE A 75 29.022 -13.406 -0.210 1.00 12.52 N ATOM 919 CA PHE A 75 28.614 -14.533 0.621 1.00 3.13 C ATOM 920 C PHE A 75 27.133 -14.438 0.978 1.00 21.14 C ATOM 921 O PHE A 75 26.419 -15.442 0.988 1.00 62.01 O ATOM 922 CB PHE A 75 29.456 -14.583 1.898 1.00 34.51 C ATOM 923 CG PHE A 75 30.275 -15.836 2.028 1.00 75.44 C ATOM 924 CD1 PHE A 75 29.709 -17.077 1.785 1.00 74.12 C ATOM 925 CD2 PHE A 75 31.609 -15.772 2.392 1.00 25.41 C ATOM 926 CE1 PHE A 75 30.459 -18.232 1.903 1.00 71.43 C ATOM 927 CE2 PHE A 75 32.365 -16.923 2.511 1.00 73.12 C ATOM 928 CZ PHE A 75 31.788 -18.155 2.267 1.00 22.20 C ATOM 0 H PHE A 75 29.764 -12.833 0.191 1.00 12.52 H new ATOM 0 HA PHE A 75 28.774 -15.449 0.052 1.00 3.13 H new ATOM 0 HB2 PHE A 75 30.121 -13.720 1.919 1.00 34.51 H new ATOM 0 HB3 PHE A 75 28.797 -14.498 2.762 1.00 34.51 H new ATOM 0 HD1 PHE A 75 28.669 -17.143 1.500 1.00 74.12 H new ATOM 0 HD2 PHE A 75 32.064 -14.812 2.585 1.00 25.41 H new ATOM 0 HE1 PHE A 75 30.006 -19.193 1.711 1.00 71.43 H new ATOM 0 HE2 PHE A 75 33.405 -16.860 2.794 1.00 73.12 H new ATOM 0 HZ PHE A 75 32.376 -19.056 2.361 1.00 22.20 H new ATOM 938 N LYS A 76 26.678 -13.225 1.271 1.00 53.11 N ATOM 939 CA LYS A 76 25.283 -12.996 1.628 1.00 72.20 C ATOM 940 C LYS A 76 24.348 -13.716 0.660 1.00 45.55 C ATOM 941 O LYS A 76 23.581 -14.590 1.059 1.00 32.12 O ATOM 942 CB LYS A 76 24.975 -11.497 1.631 1.00 31.23 C ATOM 943 CG LYS A 76 25.009 -10.873 3.016 1.00 11.20 C ATOM 944 CD LYS A 76 25.293 -9.381 2.948 1.00 35.53 C ATOM 945 CE LYS A 76 26.260 -8.948 4.039 1.00 14.21 C ATOM 946 NZ LYS A 76 25.954 -7.579 4.539 1.00 73.53 N ATOM 0 H LYS A 76 27.256 -12.384 1.268 1.00 53.11 H new ATOM 0 HA LYS A 76 25.120 -13.396 2.629 1.00 72.20 H new ATOM 0 HB2 LYS A 76 25.695 -10.985 0.993 1.00 31.23 H new ATOM 0 HB3 LYS A 76 23.990 -11.336 1.193 1.00 31.23 H new ATOM 0 HG2 LYS A 76 24.055 -11.040 3.515 1.00 11.20 H new ATOM 0 HG3 LYS A 76 25.774 -11.363 3.618 1.00 11.20 H new ATOM 0 HD2 LYS A 76 25.709 -9.133 1.972 1.00 35.53 H new ATOM 0 HD3 LYS A 76 24.360 -8.827 3.047 1.00 35.53 H new ATOM 0 HE2 LYS A 76 26.214 -9.656 4.867 1.00 14.21 H new ATOM 0 HE3 LYS A 76 27.279 -8.974 3.653 1.00 14.21 H new ATOM 0 HZ1 LYS A 76 26.841 -7.085 4.763 1.00 73.53 H new ATOM 0 HZ2 LYS A 76 25.438 -7.050 3.808 1.00 73.53 H new ATOM 0 HZ3 LYS A 76 25.369 -7.645 5.396 1.00 73.53 H new ATOM 960 N MET A 77 24.421 -13.342 -0.614 1.00 4.23 N ATOM 961 CA MET A 77 23.584 -13.954 -1.638 1.00 74.04 C ATOM 962 C MET A 77 23.978 -15.410 -1.864 1.00 71.52 C ATOM 963 O MET A 77 23.155 -16.229 -2.275 1.00 4.41 O ATOM 964 CB MET A 77 23.694 -13.175 -2.950 1.00 12.53 C ATOM 965 CG MET A 77 25.118 -13.055 -3.468 1.00 14.11 C ATOM 966 SD MET A 77 25.247 -11.966 -4.899 1.00 54.02 S ATOM 967 CE MET A 77 25.336 -10.365 -4.100 1.00 73.35 C ATOM 0 H MET A 77 25.051 -12.619 -0.961 1.00 4.23 H new ATOM 0 HA MET A 77 22.551 -13.925 -1.292 1.00 74.04 H new ATOM 0 HB2 MET A 77 23.081 -13.665 -3.706 1.00 12.53 H new ATOM 0 HB3 MET A 77 23.283 -12.176 -2.805 1.00 12.53 H new ATOM 0 HG2 MET A 77 25.760 -12.679 -2.671 1.00 14.11 H new ATOM 0 HG3 MET A 77 25.488 -14.045 -3.735 1.00 14.11 H new ATOM 0 HE1 MET A 77 24.882 -9.611 -4.744 1.00 73.35 H new ATOM 0 HE2 MET A 77 24.801 -10.402 -3.151 1.00 73.35 H new ATOM 0 HE3 MET A 77 26.379 -10.106 -3.918 1.00 73.35 H new ATOM 977 N ALA A 78 25.240 -15.726 -1.593 1.00 51.33 N ATOM 978 CA ALA A 78 25.742 -17.084 -1.766 1.00 34.33 C ATOM 979 C ALA A 78 24.882 -18.087 -1.006 1.00 71.10 C ATOM 980 O ALA A 78 24.582 -19.171 -1.509 1.00 41.44 O ATOM 981 CB ALA A 78 27.190 -17.173 -1.308 1.00 61.50 C ATOM 0 H ALA A 78 25.934 -15.060 -1.253 1.00 51.33 H new ATOM 0 HA ALA A 78 25.692 -17.332 -2.826 1.00 34.33 H new ATOM 0 HB1 ALA A 78 27.552 -18.192 -1.443 1.00 61.50 H new ATOM 0 HB2 ALA A 78 27.801 -16.490 -1.898 1.00 61.50 H new ATOM 0 HB3 ALA A 78 27.256 -16.901 -0.255 1.00 61.50 H new ATOM 987 N VAL A 79 24.487 -17.722 0.210 1.00 2.54 N ATOM 988 CA VAL A 79 23.662 -18.590 1.040 1.00 75.44 C ATOM 989 C VAL A 79 22.187 -18.222 0.921 1.00 35.52 C ATOM 990 O VAL A 79 21.365 -18.644 1.735 1.00 72.34 O ATOM 991 CB VAL A 79 24.079 -18.516 2.520 1.00 64.33 C ATOM 992 CG1 VAL A 79 25.589 -18.368 2.642 1.00 53.43 C ATOM 993 CG2 VAL A 79 23.365 -17.370 3.219 1.00 40.22 C ATOM 0 H VAL A 79 24.726 -16.829 0.642 1.00 2.54 H new ATOM 0 HA VAL A 79 23.812 -19.608 0.679 1.00 75.44 H new ATOM 0 HB VAL A 79 23.788 -19.446 3.008 1.00 64.33 H new ATOM 0 HG11 VAL A 79 25.866 -18.317 3.695 1.00 53.43 H new ATOM 0 HG12 VAL A 79 26.077 -19.226 2.179 1.00 53.43 H new ATOM 0 HG13 VAL A 79 25.907 -17.455 2.139 1.00 53.43 H new ATOM 0 HG21 VAL A 79 23.672 -17.333 4.264 1.00 40.22 H new ATOM 0 HG22 VAL A 79 23.623 -16.430 2.732 1.00 40.22 H new ATOM 0 HG23 VAL A 79 22.287 -17.524 3.163 1.00 40.22 H new ATOM 1003 N GLN A 80 21.858 -17.435 -0.098 1.00 63.44 N ATOM 1004 CA GLN A 80 20.482 -17.011 -0.323 1.00 75.13 C ATOM 1005 C GLN A 80 20.024 -16.047 0.766 1.00 61.01 C ATOM 1006 O GLN A 80 18.845 -16.008 1.120 1.00 22.35 O ATOM 1007 CB GLN A 80 19.552 -18.226 -0.369 1.00 43.03 C ATOM 1008 CG GLN A 80 20.120 -19.397 -1.155 1.00 52.21 C ATOM 1009 CD GLN A 80 19.057 -20.147 -1.934 1.00 63.00 C ATOM 1010 OE1 GLN A 80 18.197 -20.808 -1.354 1.00 31.22 O ATOM 1011 NE2 GLN A 80 19.112 -20.047 -3.257 1.00 51.43 N ATOM 0 H GLN A 80 22.526 -17.078 -0.781 1.00 63.44 H new ATOM 0 HA GLN A 80 20.441 -16.494 -1.282 1.00 75.13 H new ATOM 0 HB2 GLN A 80 19.342 -18.551 0.650 1.00 43.03 H new ATOM 0 HB3 GLN A 80 18.601 -17.929 -0.812 1.00 43.03 H new ATOM 0 HG2 GLN A 80 20.881 -19.032 -1.845 1.00 52.21 H new ATOM 0 HG3 GLN A 80 20.615 -20.084 -0.469 1.00 52.21 H new ATOM 0 HE21 GLN A 80 19.843 -19.487 -3.696 1.00 51.43 H new ATOM 0 HE22 GLN A 80 18.423 -20.530 -3.834 1.00 51.43 H new ATOM 1020 N LEU A 81 20.964 -15.270 1.293 1.00 33.43 N ATOM 1021 CA LEU A 81 20.657 -14.305 2.344 1.00 43.21 C ATOM 1022 C LEU A 81 21.136 -12.910 1.957 1.00 10.43 C ATOM 1023 O LEU A 81 22.300 -12.563 2.156 1.00 21.11 O ATOM 1024 CB LEU A 81 21.306 -14.732 3.661 1.00 0.24 C ATOM 1025 CG LEU A 81 20.579 -15.827 4.443 1.00 24.40 C ATOM 1026 CD1 LEU A 81 21.251 -16.058 5.788 1.00 13.13 C ATOM 1027 CD2 LEU A 81 19.113 -15.465 4.631 1.00 5.42 C ATOM 0 H LEU A 81 21.944 -15.289 1.010 1.00 33.43 H new ATOM 0 HA LEU A 81 19.575 -14.276 2.472 1.00 43.21 H new ATOM 0 HB2 LEU A 81 22.319 -15.076 3.449 1.00 0.24 H new ATOM 0 HB3 LEU A 81 21.395 -13.854 4.301 1.00 0.24 H new ATOM 0 HG LEU A 81 20.632 -16.753 3.870 1.00 24.40 H new ATOM 0 HD11 LEU A 81 20.720 -16.840 6.330 1.00 13.13 H new ATOM 0 HD12 LEU A 81 22.285 -16.364 5.630 1.00 13.13 H new ATOM 0 HD13 LEU A 81 21.230 -15.136 6.369 1.00 13.13 H new ATOM 0 HD21 LEU A 81 18.612 -16.256 5.189 1.00 5.42 H new ATOM 0 HD22 LEU A 81 19.037 -14.528 5.182 1.00 5.42 H new ATOM 0 HD23 LEU A 81 18.638 -15.352 3.656 1.00 5.42 H new ATOM 1039 N PHE A 82 20.229 -12.110 1.405 1.00 31.03 N ATOM 1040 CA PHE A 82 20.557 -10.750 0.992 1.00 63.32 C ATOM 1041 C PHE A 82 19.345 -9.834 1.124 1.00 51.23 C ATOM 1042 O PHE A 82 18.674 -9.530 0.137 1.00 63.30 O ATOM 1043 CB PHE A 82 21.062 -10.743 -0.452 1.00 44.24 C ATOM 1044 CG PHE A 82 21.667 -9.432 -0.869 1.00 34.31 C ATOM 1045 CD1 PHE A 82 20.913 -8.492 -1.553 1.00 34.42 C ATOM 1046 CD2 PHE A 82 22.990 -9.140 -0.577 1.00 70.41 C ATOM 1047 CE1 PHE A 82 21.465 -7.285 -1.937 1.00 2.15 C ATOM 1048 CE2 PHE A 82 23.547 -7.935 -0.959 1.00 2.33 C ATOM 1049 CZ PHE A 82 22.785 -7.007 -1.640 1.00 15.33 C ATOM 0 H PHE A 82 19.261 -12.380 1.233 1.00 31.03 H new ATOM 0 HA PHE A 82 21.344 -10.377 1.647 1.00 63.32 H new ATOM 0 HB2 PHE A 82 21.805 -11.532 -0.573 1.00 44.24 H new ATOM 0 HB3 PHE A 82 20.234 -10.981 -1.119 1.00 44.24 H new ATOM 0 HD1 PHE A 82 19.881 -8.705 -1.789 1.00 34.42 H new ATOM 0 HD2 PHE A 82 23.592 -9.862 -0.045 1.00 70.41 H new ATOM 0 HE1 PHE A 82 20.866 -6.560 -2.468 1.00 2.15 H new ATOM 0 HE2 PHE A 82 24.579 -7.719 -0.725 1.00 2.33 H new ATOM 0 HZ PHE A 82 23.220 -6.065 -1.940 1.00 15.33 H new TER 1059 PHE A 82