USER MOD reduce.3.24.130724 H: found=0, std=0, add=1169, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1170 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -147:sc= -1.7 (180deg=-3.95!) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.865 (180deg=0.763) USER MOD Single : A 2 LYS NZ :NH3+ -174:sc= 2.08 (180deg=1.96) USER MOD Single : A 4 SER OG : rot 169:sc= 0.369 USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 1.77 (180deg=1.76) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= 1.21 (180deg=1.12) USER MOD Single : A 30 MET CE :methyl -179:sc= -0.58 (180deg=-0.59) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 CYS SG : rot -39:sc= -2.88! USER MOD Single : A 53 LYS NZ :NH3+ 134:sc= 0.661 (180deg=-0.401) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 58 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.42) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= -1.14! (180deg=-1.81!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0.415 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -102:sc= 1.27 (180deg=-0.515) USER MOD Single : A 94 ASN : amide:sc= 0.114 K(o=0.11,f=-2.9!) USER MOD Single : A 103 MET CE :methyl -138:sc= -0.503 (180deg=-4.16!) USER MOD Single : A 104 LYS NZ :NH3+ -115:sc= -0.238 (180deg=-0.508) USER MOD Single : A 105 ASN : amide:sc= 0.384 K(o=0.38,f=-0.79) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ -170:sc= -0.0212 (180deg=-0.148) USER MOD Single : A 115 GLN : amide:sc= -1.35 K(o=-1.4,f=-5!) USER MOD Single : A 121 TYR OH : rot -11:sc= 0.16 USER MOD Single : A 122 TYR OH : rot 30:sc= -0.393 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot -31:sc= 0.704 USER MOD Single : A 137 LYS NZ :NH3+ 148:sc= 1.29 (180deg=0.989) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.136 -8.116 1.268 1.00 43.25 N ATOM 2 CA MET A 1 2.745 -7.226 0.144 1.00 65.12 C ATOM 3 C MET A 1 3.980 -6.626 -0.546 1.00 23.25 C ATOM 4 O MET A 1 5.078 -6.654 0.000 1.00 3.00 O ATOM 5 CB MET A 1 1.839 -6.098 0.653 1.00 61.23 C ATOM 6 CG MET A 1 2.461 -5.258 1.762 1.00 10.24 C ATOM 7 SD MET A 1 1.460 -3.825 2.191 1.00 51.14 S ATOM 8 CE MET A 1 1.483 -2.921 0.647 1.00 41.24 C ATOM 0 H1 MET A 1 2.283 -8.533 1.693 1.00 43.25 H new ATOM 0 H2 MET A 1 3.752 -8.875 0.912 1.00 43.25 H new ATOM 0 H3 MET A 1 3.647 -7.564 1.986 1.00 43.25 H new ATOM 0 HA MET A 1 2.202 -7.827 -0.585 1.00 65.12 H new ATOM 0 HB2 MET A 1 1.583 -5.446 -0.182 1.00 61.23 H new ATOM 0 HB3 MET A 1 0.907 -6.530 1.018 1.00 61.23 H new ATOM 0 HG2 MET A 1 2.599 -5.878 2.648 1.00 10.24 H new ATOM 0 HG3 MET A 1 3.450 -4.925 1.449 1.00 10.24 H new ATOM 0 HE1 MET A 1 1.458 -1.851 0.852 1.00 41.24 H new ATOM 0 HE2 MET A 1 2.392 -3.164 0.097 1.00 41.24 H new ATOM 0 HE3 MET A 1 0.613 -3.197 0.051 1.00 41.24 H new ATOM 20 N LYS A 2 3.795 -6.086 -1.751 1.00 51.55 N ATOM 21 CA LYS A 2 4.882 -5.420 -2.481 1.00 53.24 C ATOM 22 C LYS A 2 4.728 -3.890 -2.437 1.00 50.23 C ATOM 23 O LYS A 2 3.619 -3.362 -2.545 1.00 32.11 O ATOM 24 CB LYS A 2 4.935 -5.901 -3.945 1.00 54.01 C ATOM 25 CG LYS A 2 5.488 -7.320 -4.126 1.00 72.25 C ATOM 26 CD LYS A 2 4.547 -8.401 -3.596 1.00 20.33 C ATOM 27 CE LYS A 2 5.163 -9.794 -3.701 1.00 2.11 C ATOM 28 NZ LYS A 2 6.378 -9.929 -2.855 1.00 72.33 N ATOM 0 H LYS A 2 2.903 -6.095 -2.245 1.00 51.55 H new ATOM 0 HA LYS A 2 5.817 -5.686 -1.989 1.00 53.24 H new ATOM 0 HB2 LYS A 2 3.930 -5.860 -4.365 1.00 54.01 H new ATOM 0 HB3 LYS A 2 5.550 -5.209 -4.520 1.00 54.01 H new ATOM 0 HG2 LYS A 2 5.677 -7.498 -5.185 1.00 72.25 H new ATOM 0 HG3 LYS A 2 6.447 -7.398 -3.614 1.00 72.25 H new ATOM 0 HD2 LYS A 2 4.302 -8.190 -2.555 1.00 20.33 H new ATOM 0 HD3 LYS A 2 3.612 -8.374 -4.156 1.00 20.33 H new ATOM 0 HE2 LYS A 2 4.427 -10.540 -3.401 1.00 2.11 H new ATOM 0 HE3 LYS A 2 5.420 -10.000 -4.740 1.00 2.11 H new ATOM 0 HZ1 LYS A 2 6.823 -10.852 -3.031 1.00 72.33 H new ATOM 0 HZ2 LYS A 2 7.050 -9.170 -3.089 1.00 72.33 H new ATOM 0 HZ3 LYS A 2 6.112 -9.859 -1.852 1.00 72.33 H new ATOM 42 N LEU A 3 5.849 -3.182 -2.289 1.00 24.01 N ATOM 43 CA LEU A 3 5.839 -1.710 -2.212 1.00 71.50 C ATOM 44 C LEU A 3 5.445 -1.058 -3.552 1.00 0.12 C ATOM 45 O LEU A 3 5.245 0.152 -3.621 1.00 53.42 O ATOM 46 CB LEU A 3 7.209 -1.164 -1.754 1.00 74.32 C ATOM 47 CG LEU A 3 8.358 -1.247 -2.783 1.00 20.23 C ATOM 48 CD1 LEU A 3 9.563 -0.435 -2.315 1.00 2.52 C ATOM 49 CD2 LEU A 3 8.769 -2.695 -3.040 1.00 21.12 C ATOM 0 H LEU A 3 6.777 -3.599 -2.220 1.00 24.01 H new ATOM 0 HA LEU A 3 5.083 -1.447 -1.472 1.00 71.50 H new ATOM 0 HB2 LEU A 3 7.082 -0.120 -1.466 1.00 74.32 H new ATOM 0 HB3 LEU A 3 7.512 -1.707 -0.859 1.00 74.32 H new ATOM 0 HG LEU A 3 7.992 -0.825 -3.719 1.00 20.23 H new ATOM 0 HD11 LEU A 3 10.360 -0.508 -3.055 1.00 2.52 H new ATOM 0 HD12 LEU A 3 9.274 0.609 -2.195 1.00 2.52 H new ATOM 0 HD13 LEU A 3 9.917 -0.826 -1.361 1.00 2.52 H new ATOM 0 HD21 LEU A 3 9.579 -2.719 -3.769 1.00 21.12 H new ATOM 0 HD22 LEU A 3 9.105 -3.149 -2.108 1.00 21.12 H new ATOM 0 HD23 LEU A 3 7.916 -3.252 -3.428 1.00 21.12 H new ATOM 61 N SER A 4 5.321 -1.867 -4.605 1.00 45.11 N ATOM 62 CA SER A 4 4.954 -1.371 -5.943 1.00 72.12 C ATOM 63 C SER A 4 3.578 -0.687 -5.951 1.00 55.31 C ATOM 64 O SER A 4 3.269 0.096 -6.852 1.00 55.14 O ATOM 65 CB SER A 4 4.962 -2.525 -6.952 1.00 71.40 C ATOM 66 OG SER A 4 4.048 -3.548 -6.577 1.00 2.31 O ATOM 0 H SER A 4 5.469 -2.875 -4.562 1.00 45.11 H new ATOM 0 HA SER A 4 5.696 -0.625 -6.226 1.00 72.12 H new ATOM 0 HB2 SER A 4 4.702 -2.147 -7.941 1.00 71.40 H new ATOM 0 HB3 SER A 4 5.967 -2.941 -7.023 1.00 71.40 H new ATOM 0 HG SER A 4 3.947 -4.183 -7.316 1.00 2.31 H new ATOM 72 N ARG A 5 2.750 -0.998 -4.956 1.00 72.11 N ATOM 73 CA ARG A 5 1.431 -0.364 -4.813 1.00 51.50 C ATOM 74 C ARG A 5 1.320 0.414 -3.490 1.00 41.20 C ATOM 75 O ARG A 5 0.243 0.893 -3.135 1.00 42.30 O ATOM 76 CB ARG A 5 0.323 -1.425 -4.881 1.00 2.50 C ATOM 77 CG ARG A 5 0.389 -2.463 -3.761 1.00 34.21 C ATOM 78 CD ARG A 5 -0.808 -3.413 -3.790 1.00 14.25 C ATOM 79 NE ARG A 5 -0.847 -4.207 -5.014 1.00 3.32 N ATOM 80 CZ ARG A 5 -1.929 -4.723 -5.529 1.00 60.14 C ATOM 81 NH1 ARG A 5 -3.087 -4.536 -4.974 1.00 52.45 N ATOM 82 NH2 ARG A 5 -1.846 -5.427 -6.610 1.00 54.12 N ATOM 0 H ARG A 5 2.965 -1.685 -4.234 1.00 72.11 H new ATOM 0 HA ARG A 5 1.313 0.342 -5.635 1.00 51.50 H new ATOM 0 HB2 ARG A 5 -0.646 -0.927 -4.845 1.00 2.50 H new ATOM 0 HB3 ARG A 5 0.382 -1.937 -5.841 1.00 2.50 H new ATOM 0 HG2 ARG A 5 1.310 -3.038 -3.853 1.00 34.21 H new ATOM 0 HG3 ARG A 5 0.425 -1.955 -2.797 1.00 34.21 H new ATOM 0 HD2 ARG A 5 -0.764 -4.078 -2.928 1.00 14.25 H new ATOM 0 HD3 ARG A 5 -1.730 -2.838 -3.702 1.00 14.25 H new ATOM 0 HE ARG A 5 0.034 -4.370 -5.501 1.00 3.32 H new ATOM 0 HH11 ARG A 5 -3.161 -3.979 -4.123 1.00 52.45 H new ATOM 0 HH12 ARG A 5 -3.924 -4.946 -5.389 1.00 52.45 H new ATOM 0 HH21 ARG A 5 -0.940 -5.575 -7.054 1.00 54.12 H new ATOM 0 HH22 ARG A 5 -2.687 -5.834 -7.019 1.00 54.12 H new ATOM 96 N LEU A 6 2.439 0.549 -2.777 1.00 40.12 N ATOM 97 CA LEU A 6 2.442 1.153 -1.438 1.00 73.11 C ATOM 98 C LEU A 6 2.107 2.655 -1.495 1.00 25.31 C ATOM 99 O LEU A 6 2.570 3.377 -2.377 1.00 44.50 O ATOM 100 CB LEU A 6 3.804 0.926 -0.755 1.00 52.51 C ATOM 101 CG LEU A 6 3.888 1.329 0.729 1.00 2.24 C ATOM 102 CD1 LEU A 6 2.864 0.559 1.564 1.00 72.51 C ATOM 103 CD2 LEU A 6 5.300 1.105 1.267 1.00 11.00 C ATOM 0 H LEU A 6 3.358 0.249 -3.102 1.00 40.12 H new ATOM 0 HA LEU A 6 1.666 0.666 -0.848 1.00 73.11 H new ATOM 0 HB2 LEU A 6 4.059 -0.130 -0.840 1.00 52.51 H new ATOM 0 HB3 LEU A 6 4.562 1.482 -1.306 1.00 52.51 H new ATOM 0 HG LEU A 6 3.655 2.391 0.805 1.00 2.24 H new ATOM 0 HD11 LEU A 6 2.944 0.862 2.608 1.00 72.51 H new ATOM 0 HD12 LEU A 6 1.860 0.776 1.199 1.00 72.51 H new ATOM 0 HD13 LEU A 6 3.057 -0.511 1.481 1.00 72.51 H new ATOM 0 HD21 LEU A 6 5.340 1.395 2.317 1.00 11.00 H new ATOM 0 HD22 LEU A 6 5.563 0.051 1.172 1.00 11.00 H new ATOM 0 HD23 LEU A 6 6.007 1.708 0.697 1.00 11.00 H new ATOM 115 N VAL A 7 1.302 3.111 -0.540 1.00 13.44 N ATOM 116 CA VAL A 7 0.821 4.498 -0.512 1.00 32.14 C ATOM 117 C VAL A 7 1.905 5.474 -0.013 1.00 62.30 C ATOM 118 O VAL A 7 2.520 5.245 1.032 1.00 52.22 O ATOM 119 CB VAL A 7 -0.431 4.624 0.398 1.00 33.50 C ATOM 120 CG1 VAL A 7 -1.017 6.035 0.345 1.00 23.42 C ATOM 121 CG2 VAL A 7 -1.480 3.580 0.018 1.00 33.32 C ATOM 0 H VAL A 7 0.964 2.538 0.233 1.00 13.44 H new ATOM 0 HA VAL A 7 0.563 4.763 -1.537 1.00 32.14 H new ATOM 0 HB VAL A 7 -0.119 4.437 1.426 1.00 33.50 H new ATOM 0 HG11 VAL A 7 -1.892 6.090 0.993 1.00 23.42 H new ATOM 0 HG12 VAL A 7 -0.269 6.752 0.683 1.00 23.42 H new ATOM 0 HG13 VAL A 7 -1.308 6.270 -0.679 1.00 23.42 H new ATOM 0 HG21 VAL A 7 -2.349 3.685 0.667 1.00 33.32 H new ATOM 0 HG22 VAL A 7 -1.781 3.728 -1.019 1.00 33.32 H new ATOM 0 HG23 VAL A 7 -1.058 2.582 0.134 1.00 33.32 H new ATOM 131 N PRO A 8 2.152 6.583 -0.748 1.00 13.21 N ATOM 132 CA PRO A 8 3.120 7.613 -0.326 1.00 51.24 C ATOM 133 C PRO A 8 2.805 8.176 1.072 1.00 4.10 C ATOM 134 O PRO A 8 1.737 8.743 1.303 1.00 72.23 O ATOM 135 CB PRO A 8 2.990 8.708 -1.404 1.00 1.33 C ATOM 136 CG PRO A 8 1.704 8.411 -2.111 1.00 42.35 C ATOM 137 CD PRO A 8 1.529 6.919 -2.039 1.00 74.52 C ATOM 0 HA PRO A 8 4.129 7.210 -0.244 1.00 51.24 H new ATOM 0 HB2 PRO A 8 2.973 9.702 -0.956 1.00 1.33 H new ATOM 0 HB3 PRO A 8 3.834 8.684 -2.094 1.00 1.33 H new ATOM 0 HG2 PRO A 8 0.869 8.926 -1.636 1.00 42.35 H new ATOM 0 HG3 PRO A 8 1.740 8.751 -3.146 1.00 42.35 H new ATOM 0 HD2 PRO A 8 0.478 6.633 -2.068 1.00 74.52 H new ATOM 0 HD3 PRO A 8 2.020 6.413 -2.870 1.00 74.52 H new ATOM 145 N GLY A 9 3.744 7.999 2.000 1.00 41.54 N ATOM 146 CA GLY A 9 3.543 8.434 3.378 1.00 55.22 C ATOM 147 C GLY A 9 3.464 7.271 4.363 1.00 13.44 C ATOM 148 O GLY A 9 3.708 7.445 5.560 1.00 4.13 O ATOM 0 H GLY A 9 4.647 7.559 1.822 1.00 41.54 H new ATOM 0 HA2 GLY A 9 4.360 9.094 3.668 1.00 55.22 H new ATOM 0 HA3 GLY A 9 2.625 9.018 3.439 1.00 55.22 H new ATOM 152 N VAL A 10 3.124 6.082 3.863 1.00 30.52 N ATOM 153 CA VAL A 10 3.004 4.890 4.712 1.00 72.53 C ATOM 154 C VAL A 10 4.375 4.235 4.976 1.00 42.31 C ATOM 155 O VAL A 10 5.110 3.905 4.040 1.00 52.43 O ATOM 156 CB VAL A 10 2.051 3.843 4.076 1.00 23.32 C ATOM 157 CG1 VAL A 10 1.966 2.580 4.934 1.00 1.55 C ATOM 158 CG2 VAL A 10 0.665 4.445 3.855 1.00 21.14 C ATOM 0 H VAL A 10 2.927 5.916 2.876 1.00 30.52 H new ATOM 0 HA VAL A 10 2.589 5.225 5.663 1.00 72.53 H new ATOM 0 HB VAL A 10 2.461 3.558 3.107 1.00 23.32 H new ATOM 0 HG11 VAL A 10 1.291 1.865 4.463 1.00 1.55 H new ATOM 0 HG12 VAL A 10 2.957 2.136 5.027 1.00 1.55 H new ATOM 0 HG13 VAL A 10 1.589 2.837 5.924 1.00 1.55 H new ATOM 0 HG21 VAL A 10 0.010 3.697 3.408 1.00 21.14 H new ATOM 0 HG22 VAL A 10 0.251 4.765 4.811 1.00 21.14 H new ATOM 0 HG23 VAL A 10 0.743 5.303 3.188 1.00 21.14 H new ATOM 168 N PRO A 11 4.742 4.049 6.261 1.00 34.10 N ATOM 169 CA PRO A 11 6.000 3.398 6.642 1.00 24.23 C ATOM 170 C PRO A 11 5.898 1.860 6.682 1.00 33.52 C ATOM 171 O PRO A 11 5.245 1.282 7.555 1.00 41.34 O ATOM 172 CB PRO A 11 6.255 3.968 8.039 1.00 32.45 C ATOM 173 CG PRO A 11 4.890 4.173 8.615 1.00 0.34 C ATOM 174 CD PRO A 11 3.972 4.479 7.450 1.00 32.43 C ATOM 0 HA PRO A 11 6.799 3.589 5.925 1.00 24.23 H new ATOM 0 HB2 PRO A 11 6.843 3.280 8.647 1.00 32.45 H new ATOM 0 HB3 PRO A 11 6.810 4.905 7.990 1.00 32.45 H new ATOM 0 HG2 PRO A 11 4.556 3.283 9.148 1.00 0.34 H new ATOM 0 HG3 PRO A 11 4.891 4.993 9.333 1.00 0.34 H new ATOM 0 HD2 PRO A 11 3.030 3.937 7.532 1.00 32.43 H new ATOM 0 HD3 PRO A 11 3.727 5.540 7.404 1.00 32.43 H new ATOM 182 N ALA A 12 6.533 1.206 5.718 1.00 53.12 N ATOM 183 CA ALA A 12 6.586 -0.257 5.673 1.00 2.01 C ATOM 184 C ALA A 12 7.937 -0.772 6.193 1.00 23.25 C ATOM 185 O ALA A 12 8.806 0.008 6.581 1.00 20.00 O ATOM 186 CB ALA A 12 6.337 -0.747 4.248 1.00 31.33 C ATOM 0 H ALA A 12 7.023 1.665 4.950 1.00 53.12 H new ATOM 0 HA ALA A 12 5.804 -0.651 6.322 1.00 2.01 H new ATOM 0 HB1 ALA A 12 6.379 -1.836 4.225 1.00 31.33 H new ATOM 0 HB2 ALA A 12 5.354 -0.414 3.915 1.00 31.33 H new ATOM 0 HB3 ALA A 12 7.101 -0.341 3.585 1.00 31.33 H new ATOM 192 N ARG A 13 8.106 -2.090 6.218 1.00 11.41 N ATOM 193 CA ARG A 13 9.375 -2.693 6.638 1.00 20.03 C ATOM 194 C ARG A 13 9.767 -3.846 5.700 1.00 43.40 C ATOM 195 O ARG A 13 8.915 -4.636 5.288 1.00 11.14 O ATOM 196 CB ARG A 13 9.271 -3.198 8.086 1.00 24.13 C ATOM 197 CG ARG A 13 10.621 -3.464 8.748 1.00 34.34 C ATOM 198 CD ARG A 13 10.463 -3.957 10.185 1.00 1.34 C ATOM 199 NE ARG A 13 11.718 -3.881 10.929 1.00 52.33 N ATOM 200 CZ ARG A 13 12.009 -4.611 11.971 1.00 52.54 C ATOM 201 NH1 ARG A 13 11.189 -5.514 12.405 1.00 23.21 N ATOM 202 NH2 ARG A 13 13.129 -4.435 12.588 1.00 24.25 N ATOM 0 H ARG A 13 7.386 -2.762 5.954 1.00 11.41 H new ATOM 0 HA ARG A 13 10.151 -1.929 6.586 1.00 20.03 H new ATOM 0 HB2 ARG A 13 8.726 -2.463 8.678 1.00 24.13 H new ATOM 0 HB3 ARG A 13 8.684 -4.116 8.099 1.00 24.13 H new ATOM 0 HG2 ARG A 13 11.170 -4.206 8.168 1.00 34.34 H new ATOM 0 HG3 ARG A 13 11.215 -2.550 8.741 1.00 34.34 H new ATOM 0 HD2 ARG A 13 9.704 -3.361 10.692 1.00 1.34 H new ATOM 0 HD3 ARG A 13 10.107 -4.987 10.178 1.00 1.34 H new ATOM 0 HE ARG A 13 12.417 -3.209 10.611 1.00 52.33 H new ATOM 0 HH11 ARG A 13 10.298 -5.664 11.931 1.00 23.21 H new ATOM 0 HH12 ARG A 13 11.434 -6.075 13.221 1.00 23.21 H new ATOM 0 HH21 ARG A 13 13.785 -3.726 12.261 1.00 24.25 H new ATOM 0 HH22 ARG A 13 13.358 -5.005 13.402 1.00 24.25 H new ATOM 216 N ILE A 14 11.052 -3.930 5.357 1.00 10.14 N ATOM 217 CA ILE A 14 11.547 -4.987 4.468 1.00 25.21 C ATOM 218 C ILE A 14 11.472 -6.370 5.135 1.00 51.13 C ATOM 219 O ILE A 14 12.197 -6.652 6.093 1.00 72.31 O ATOM 220 CB ILE A 14 13.012 -4.718 4.027 1.00 54.00 C ATOM 221 CG1 ILE A 14 13.130 -3.357 3.320 1.00 11.14 C ATOM 222 CG2 ILE A 14 13.520 -5.836 3.118 1.00 52.32 C ATOM 223 CD1 ILE A 14 12.357 -3.268 2.017 1.00 3.44 C ATOM 0 H ILE A 14 11.770 -3.281 5.679 1.00 10.14 H new ATOM 0 HA ILE A 14 10.900 -4.980 3.590 1.00 25.21 H new ATOM 0 HB ILE A 14 13.633 -4.695 4.923 1.00 54.00 H new ATOM 0 HG12 ILE A 14 12.776 -2.577 3.994 1.00 11.14 H new ATOM 0 HG13 ILE A 14 14.182 -3.153 3.121 1.00 11.14 H new ATOM 0 HG21 ILE A 14 14.548 -5.626 2.822 1.00 52.32 H new ATOM 0 HG22 ILE A 14 13.483 -6.785 3.653 1.00 52.32 H new ATOM 0 HG23 ILE A 14 12.892 -5.896 2.229 1.00 52.32 H new ATOM 0 HD11 ILE A 14 12.491 -2.278 1.581 1.00 3.44 H new ATOM 0 HD12 ILE A 14 12.726 -4.023 1.323 1.00 3.44 H new ATOM 0 HD13 ILE A 14 11.298 -3.439 2.210 1.00 3.44 H new ATOM 235 N LYS A 15 10.587 -7.223 4.623 1.00 54.14 N ATOM 236 CA LYS A 15 10.450 -8.600 5.112 1.00 14.13 C ATOM 237 C LYS A 15 11.537 -9.507 4.524 1.00 54.42 C ATOM 238 O LYS A 15 12.202 -10.246 5.252 1.00 11.03 O ATOM 239 CB LYS A 15 9.069 -9.161 4.744 1.00 52.32 C ATOM 240 CG LYS A 15 7.905 -8.402 5.371 1.00 14.21 C ATOM 241 CD LYS A 15 6.562 -8.827 4.781 1.00 73.22 C ATOM 242 CE LYS A 15 6.251 -10.298 5.026 1.00 34.43 C ATOM 243 NZ LYS A 15 4.920 -10.666 4.476 1.00 15.41 N ATOM 0 H LYS A 15 9.948 -6.986 3.864 1.00 54.14 H new ATOM 0 HA LYS A 15 10.560 -8.579 6.196 1.00 14.13 H new ATOM 0 HB2 LYS A 15 8.958 -9.144 3.660 1.00 52.32 H new ATOM 0 HB3 LYS A 15 9.018 -10.205 5.054 1.00 52.32 H new ATOM 0 HG2 LYS A 15 7.899 -8.573 6.448 1.00 14.21 H new ATOM 0 HG3 LYS A 15 8.046 -7.332 5.219 1.00 14.21 H new ATOM 0 HD2 LYS A 15 5.770 -8.216 5.214 1.00 73.22 H new ATOM 0 HD3 LYS A 15 6.564 -8.634 3.708 1.00 73.22 H new ATOM 0 HE2 LYS A 15 7.021 -10.917 4.565 1.00 34.43 H new ATOM 0 HE3 LYS A 15 6.275 -10.504 6.096 1.00 34.43 H new ATOM 0 HZ1 LYS A 15 4.757 -11.684 4.613 1.00 15.41 H new ATOM 0 HZ2 LYS A 15 4.180 -10.128 4.970 1.00 15.41 H new ATOM 0 HZ3 LYS A 15 4.891 -10.444 3.460 1.00 15.41 H new ATOM 257 N ARG A 16 11.698 -9.450 3.197 1.00 21.33 N ATOM 258 CA ARG A 16 12.675 -10.293 2.493 1.00 60.33 C ATOM 259 C ARG A 16 12.744 -9.964 0.990 1.00 41.02 C ATOM 260 O ARG A 16 11.835 -9.345 0.429 1.00 21.45 O ATOM 261 CB ARG A 16 12.320 -11.774 2.689 1.00 10.20 C ATOM 262 CG ARG A 16 10.967 -12.176 2.101 1.00 10.24 C ATOM 263 CD ARG A 16 10.506 -13.537 2.613 1.00 0.22 C ATOM 264 NE ARG A 16 11.488 -14.594 2.365 1.00 21.13 N ATOM 265 CZ ARG A 16 11.342 -15.830 2.760 1.00 0.20 C ATOM 266 NH1 ARG A 16 10.312 -16.176 3.465 1.00 2.20 N ATOM 267 NH2 ARG A 16 12.242 -16.714 2.473 1.00 71.30 N ATOM 0 H ARG A 16 11.165 -8.829 2.588 1.00 21.33 H new ATOM 0 HA ARG A 16 13.657 -10.088 2.919 1.00 60.33 H new ATOM 0 HB2 ARG A 16 13.098 -12.386 2.233 1.00 10.20 H new ATOM 0 HB3 ARG A 16 12.321 -11.999 3.756 1.00 10.20 H new ATOM 0 HG2 ARG A 16 10.222 -11.421 2.355 1.00 10.24 H new ATOM 0 HG3 ARG A 16 11.037 -12.202 1.014 1.00 10.24 H new ATOM 0 HD2 ARG A 16 10.311 -13.471 3.683 1.00 0.22 H new ATOM 0 HD3 ARG A 16 9.564 -13.802 2.133 1.00 0.22 H new ATOM 0 HE ARG A 16 12.336 -14.351 1.854 1.00 21.13 H new ATOM 0 HH11 ARG A 16 9.608 -15.481 3.715 1.00 2.20 H new ATOM 0 HH12 ARG A 16 10.204 -17.143 3.770 1.00 2.20 H new ATOM 0 HH21 ARG A 16 13.068 -16.446 1.937 1.00 71.30 H new ATOM 0 HH22 ARG A 16 12.126 -17.679 2.783 1.00 71.30 H new ATOM 281 N LEU A 17 13.836 -10.377 0.346 1.00 13.41 N ATOM 282 CA LEU A 17 14.013 -10.197 -1.102 1.00 32.30 C ATOM 283 C LEU A 17 13.894 -11.543 -1.837 1.00 21.44 C ATOM 284 O LEU A 17 14.763 -12.410 -1.711 1.00 65.11 O ATOM 285 CB LEU A 17 15.378 -9.554 -1.415 1.00 33.42 C ATOM 286 CG LEU A 17 15.561 -8.091 -0.961 1.00 1.10 C ATOM 287 CD1 LEU A 17 15.623 -7.978 0.561 1.00 41.40 C ATOM 288 CD2 LEU A 17 16.813 -7.491 -1.595 1.00 22.02 C ATOM 0 H LEU A 17 14.619 -10.842 0.805 1.00 13.41 H new ATOM 0 HA LEU A 17 13.224 -9.531 -1.451 1.00 32.30 H new ATOM 0 HB2 LEU A 17 16.156 -10.158 -0.948 1.00 33.42 H new ATOM 0 HB3 LEU A 17 15.540 -9.602 -2.492 1.00 33.42 H new ATOM 0 HG LEU A 17 14.691 -7.527 -1.297 1.00 1.10 H new ATOM 0 HD11 LEU A 17 15.752 -6.933 0.843 1.00 41.40 H new ATOM 0 HD12 LEU A 17 14.697 -8.358 0.992 1.00 41.40 H new ATOM 0 HD13 LEU A 17 16.464 -8.562 0.935 1.00 41.40 H new ATOM 0 HD21 LEU A 17 16.929 -6.459 -1.265 1.00 22.02 H new ATOM 0 HD22 LEU A 17 17.687 -8.069 -1.293 1.00 22.02 H new ATOM 0 HD23 LEU A 17 16.719 -7.517 -2.681 1.00 22.02 H new ATOM 300 N GLU A 18 12.822 -11.720 -2.609 1.00 42.51 N ATOM 301 CA GLU A 18 12.582 -12.986 -3.321 1.00 4.00 C ATOM 302 C GLU A 18 13.283 -13.020 -4.690 1.00 14.33 C ATOM 303 O GLU A 18 13.373 -14.071 -5.332 1.00 12.42 O ATOM 304 CB GLU A 18 11.076 -13.225 -3.491 1.00 31.25 C ATOM 305 CG GLU A 18 10.347 -12.113 -4.238 1.00 11.34 C ATOM 306 CD GLU A 18 8.864 -12.402 -4.401 1.00 12.12 C ATOM 307 OE1 GLU A 18 8.488 -13.060 -5.392 1.00 53.43 O ATOM 308 OE2 GLU A 18 8.069 -11.987 -3.528 1.00 73.21 O ATOM 0 H GLU A 18 12.106 -11.009 -2.760 1.00 42.51 H new ATOM 0 HA GLU A 18 13.007 -13.786 -2.715 1.00 4.00 H new ATOM 0 HB2 GLU A 18 10.926 -14.164 -4.024 1.00 31.25 H new ATOM 0 HB3 GLU A 18 10.625 -13.342 -2.506 1.00 31.25 H new ATOM 0 HG2 GLU A 18 10.475 -11.173 -3.701 1.00 11.34 H new ATOM 0 HG3 GLU A 18 10.799 -11.982 -5.221 1.00 11.34 H new ATOM 315 N VAL A 19 13.772 -11.871 -5.137 1.00 50.33 N ATOM 316 CA VAL A 19 14.504 -11.785 -6.400 1.00 23.25 C ATOM 317 C VAL A 19 15.986 -12.152 -6.227 1.00 13.51 C ATOM 318 O VAL A 19 16.680 -11.613 -5.362 1.00 12.31 O ATOM 319 CB VAL A 19 14.394 -10.373 -7.024 1.00 72.21 C ATOM 320 CG1 VAL A 19 14.880 -9.298 -6.053 1.00 44.23 C ATOM 321 CG2 VAL A 19 15.168 -10.302 -8.340 1.00 45.15 C ATOM 0 H VAL A 19 13.676 -10.983 -4.645 1.00 50.33 H new ATOM 0 HA VAL A 19 14.042 -12.507 -7.073 1.00 23.25 H new ATOM 0 HB VAL A 19 13.341 -10.182 -7.233 1.00 72.21 H new ATOM 0 HG11 VAL A 19 14.790 -8.318 -6.521 1.00 44.23 H new ATOM 0 HG12 VAL A 19 14.274 -9.325 -5.147 1.00 44.23 H new ATOM 0 HG13 VAL A 19 15.923 -9.484 -5.797 1.00 44.23 H new ATOM 0 HG21 VAL A 19 15.077 -9.301 -8.762 1.00 45.15 H new ATOM 0 HG22 VAL A 19 16.219 -10.525 -8.156 1.00 45.15 H new ATOM 0 HG23 VAL A 19 14.760 -11.030 -9.042 1.00 45.15 H new ATOM 331 N SER A 20 16.463 -13.079 -7.052 1.00 61.52 N ATOM 332 CA SER A 20 17.883 -13.449 -7.071 1.00 0.04 C ATOM 333 C SER A 20 18.478 -13.190 -8.459 1.00 15.13 C ATOM 334 O SER A 20 17.907 -13.593 -9.477 1.00 2.42 O ATOM 335 CB SER A 20 18.074 -14.922 -6.686 1.00 21.13 C ATOM 336 OG SER A 20 19.449 -15.229 -6.494 1.00 73.34 O ATOM 0 H SER A 20 15.888 -13.592 -7.720 1.00 61.52 H new ATOM 0 HA SER A 20 18.403 -12.833 -6.337 1.00 0.04 H new ATOM 0 HB2 SER A 20 17.520 -15.137 -5.772 1.00 21.13 H new ATOM 0 HB3 SER A 20 17.661 -15.561 -7.467 1.00 21.13 H new ATOM 0 HG SER A 20 19.542 -16.173 -6.248 1.00 73.34 H new ATOM 342 N GLY A 21 19.628 -12.523 -8.499 1.00 62.22 N ATOM 343 CA GLY A 21 20.239 -12.150 -9.768 1.00 73.23 C ATOM 344 C GLY A 21 19.902 -10.727 -10.212 1.00 73.31 C ATOM 345 O GLY A 21 18.752 -10.293 -10.124 1.00 50.43 O ATOM 0 H GLY A 21 20.151 -12.232 -7.673 1.00 62.22 H new ATOM 0 HA2 GLY A 21 21.321 -12.249 -9.684 1.00 73.23 H new ATOM 0 HA3 GLY A 21 19.914 -12.849 -10.538 1.00 73.23 H new ATOM 349 N GLU A 22 20.925 -10.005 -10.672 1.00 14.52 N ATOM 350 CA GLU A 22 20.784 -8.655 -11.245 1.00 2.22 C ATOM 351 C GLU A 22 20.095 -7.665 -10.283 1.00 63.31 C ATOM 352 O GLU A 22 20.760 -6.873 -9.615 1.00 32.41 O ATOM 353 CB GLU A 22 20.044 -8.723 -12.591 1.00 51.33 C ATOM 354 CG GLU A 22 20.586 -9.793 -13.543 1.00 71.31 C ATOM 355 CD GLU A 22 22.098 -9.737 -13.717 1.00 3.41 C ATOM 356 OE1 GLU A 22 22.577 -9.019 -14.618 1.00 31.23 O ATOM 357 OE2 GLU A 22 22.821 -10.417 -12.952 1.00 14.14 O ATOM 0 H GLU A 22 21.888 -10.340 -10.659 1.00 14.52 H new ATOM 0 HA GLU A 22 21.790 -8.270 -11.411 1.00 2.22 H new ATOM 0 HB2 GLU A 22 18.988 -8.918 -12.405 1.00 51.33 H new ATOM 0 HB3 GLU A 22 20.107 -7.750 -13.079 1.00 51.33 H new ATOM 0 HG2 GLU A 22 20.307 -10.778 -13.168 1.00 71.31 H new ATOM 0 HG3 GLU A 22 20.111 -9.677 -14.517 1.00 71.31 H new ATOM 364 N LEU A 23 18.766 -7.713 -10.205 1.00 52.23 N ATOM 365 CA LEU A 23 18.022 -6.839 -9.291 1.00 60.01 C ATOM 366 C LEU A 23 18.435 -7.091 -7.829 1.00 65.40 C ATOM 367 O LEU A 23 18.483 -6.169 -7.015 1.00 73.45 O ATOM 368 CB LEU A 23 16.511 -7.044 -9.466 1.00 51.41 C ATOM 369 CG LEU A 23 15.611 -6.236 -8.512 1.00 24.10 C ATOM 370 CD1 LEU A 23 15.862 -4.734 -8.651 1.00 44.32 C ATOM 371 CD2 LEU A 23 14.140 -6.560 -8.756 1.00 3.44 C ATOM 0 H LEU A 23 18.183 -8.342 -10.758 1.00 52.23 H new ATOM 0 HA LEU A 23 18.264 -5.805 -9.537 1.00 60.01 H new ATOM 0 HB2 LEU A 23 16.245 -6.787 -10.491 1.00 51.41 H new ATOM 0 HB3 LEU A 23 16.289 -8.103 -9.335 1.00 51.41 H new ATOM 0 HG LEU A 23 15.864 -6.524 -7.492 1.00 24.10 H new ATOM 0 HD11 LEU A 23 15.212 -4.191 -7.965 1.00 44.32 H new ATOM 0 HD12 LEU A 23 16.903 -4.516 -8.414 1.00 44.32 H new ATOM 0 HD13 LEU A 23 15.650 -4.423 -9.674 1.00 44.32 H new ATOM 0 HD21 LEU A 23 13.521 -5.979 -8.072 1.00 3.44 H new ATOM 0 HD22 LEU A 23 13.878 -6.310 -9.784 1.00 3.44 H new ATOM 0 HD23 LEU A 23 13.969 -7.623 -8.586 1.00 3.44 H new ATOM 383 N HIS A 24 18.771 -8.340 -7.518 1.00 34.12 N ATOM 384 CA HIS A 24 19.163 -8.725 -6.155 1.00 21.10 C ATOM 385 C HIS A 24 20.385 -7.924 -5.656 1.00 24.01 C ATOM 386 O HIS A 24 20.366 -7.378 -4.550 1.00 23.34 O ATOM 387 CB HIS A 24 19.449 -10.233 -6.098 1.00 65.24 C ATOM 388 CG HIS A 24 19.794 -10.746 -4.728 1.00 45.41 C ATOM 389 ND1 HIS A 24 20.999 -11.340 -4.434 1.00 11.52 N ATOM 390 CD2 HIS A 24 19.079 -10.767 -3.574 1.00 12.23 C ATOM 391 CE1 HIS A 24 21.017 -11.703 -3.168 1.00 41.30 C ATOM 392 NE2 HIS A 24 19.868 -11.367 -2.625 1.00 14.40 N ATOM 0 H HIS A 24 18.781 -9.108 -8.189 1.00 34.12 H new ATOM 0 HA HIS A 24 18.331 -8.490 -5.491 1.00 21.10 H new ATOM 0 HB2 HIS A 24 18.575 -10.771 -6.465 1.00 65.24 H new ATOM 0 HB3 HIS A 24 20.271 -10.461 -6.776 1.00 65.24 H new ATOM 0 HD2 HIS A 24 18.079 -10.384 -3.430 1.00 12.23 H new ATOM 0 HE1 HIS A 24 21.836 -12.193 -2.662 1.00 41.30 H new ATOM 0 HE2 HIS A 24 19.605 -11.527 -1.653 1.00 14.40 H new ATOM 401 N GLU A 25 21.436 -7.842 -6.476 1.00 11.52 N ATOM 402 CA GLU A 25 22.676 -7.161 -6.074 1.00 22.24 C ATOM 403 C GLU A 25 22.501 -5.633 -5.954 1.00 63.44 C ATOM 404 O GLU A 25 23.084 -5.006 -5.065 1.00 72.33 O ATOM 405 CB GLU A 25 23.820 -7.491 -7.048 1.00 62.45 C ATOM 406 CG GLU A 25 23.578 -7.039 -8.483 1.00 34.12 C ATOM 407 CD GLU A 25 24.726 -7.396 -9.412 1.00 12.22 C ATOM 408 OE1 GLU A 25 25.749 -6.680 -9.407 1.00 22.41 O ATOM 409 OE2 GLU A 25 24.618 -8.398 -10.150 1.00 3.51 O ATOM 0 H GLU A 25 21.457 -8.235 -7.417 1.00 11.52 H new ATOM 0 HA GLU A 25 22.931 -7.535 -5.083 1.00 22.24 H new ATOM 0 HB2 GLU A 25 24.736 -7.026 -6.684 1.00 62.45 H new ATOM 0 HB3 GLU A 25 23.985 -8.568 -7.043 1.00 62.45 H new ATOM 0 HG2 GLU A 25 22.661 -7.496 -8.854 1.00 34.12 H new ATOM 0 HG3 GLU A 25 23.425 -5.960 -8.499 1.00 34.12 H new ATOM 416 N LYS A 26 21.702 -5.029 -6.837 1.00 71.03 N ATOM 417 CA LYS A 26 21.462 -3.579 -6.766 1.00 23.35 C ATOM 418 C LYS A 26 20.585 -3.216 -5.554 1.00 34.13 C ATOM 419 O LYS A 26 20.795 -2.186 -4.911 1.00 35.00 O ATOM 420 CB LYS A 26 20.837 -3.046 -8.069 1.00 24.23 C ATOM 421 CG LYS A 26 19.538 -3.730 -8.469 1.00 13.04 C ATOM 422 CD LYS A 26 18.901 -3.093 -9.706 1.00 22.31 C ATOM 423 CE LYS A 26 18.380 -1.688 -9.420 1.00 72.22 C ATOM 424 NZ LYS A 26 17.630 -1.124 -10.575 1.00 53.21 N ATOM 0 H LYS A 26 21.217 -5.507 -7.597 1.00 71.03 H new ATOM 0 HA LYS A 26 22.431 -3.097 -6.638 1.00 23.35 H new ATOM 0 HB2 LYS A 26 20.652 -1.978 -7.958 1.00 24.23 H new ATOM 0 HB3 LYS A 26 21.559 -3.162 -8.878 1.00 24.23 H new ATOM 0 HG2 LYS A 26 19.731 -4.785 -8.665 1.00 13.04 H new ATOM 0 HG3 LYS A 26 18.835 -3.684 -7.637 1.00 13.04 H new ATOM 0 HD2 LYS A 26 19.635 -3.051 -10.511 1.00 22.31 H new ATOM 0 HD3 LYS A 26 18.081 -3.720 -10.055 1.00 22.31 H new ATOM 0 HE2 LYS A 26 17.731 -1.714 -8.544 1.00 72.22 H new ATOM 0 HE3 LYS A 26 19.217 -1.034 -9.177 1.00 72.22 H new ATOM 0 HZ1 LYS A 26 17.138 -0.256 -10.279 1.00 53.21 H new ATOM 0 HZ2 LYS A 26 18.293 -0.901 -11.344 1.00 53.21 H new ATOM 0 HZ3 LYS A 26 16.933 -1.820 -10.910 1.00 53.21 H new ATOM 438 N LEU A 27 19.612 -4.073 -5.231 1.00 4.02 N ATOM 439 CA LEU A 27 18.751 -3.853 -4.059 1.00 25.10 C ATOM 440 C LEU A 27 19.561 -3.872 -2.757 1.00 12.45 C ATOM 441 O LEU A 27 19.541 -2.906 -1.987 1.00 5.04 O ATOM 442 CB LEU A 27 17.644 -4.912 -3.989 1.00 34.42 C ATOM 443 CG LEU A 27 16.576 -4.829 -5.087 1.00 34.44 C ATOM 444 CD1 LEU A 27 15.557 -5.952 -4.923 1.00 21.44 C ATOM 445 CD2 LEU A 27 15.888 -3.464 -5.077 1.00 74.34 C ATOM 0 H LEU A 27 19.400 -4.920 -5.758 1.00 4.02 H new ATOM 0 HA LEU A 27 18.298 -2.868 -4.172 1.00 25.10 H new ATOM 0 HB2 LEU A 27 18.106 -5.898 -4.031 1.00 34.42 H new ATOM 0 HB3 LEU A 27 17.150 -4.832 -3.020 1.00 34.42 H new ATOM 0 HG LEU A 27 17.067 -4.948 -6.053 1.00 34.44 H new ATOM 0 HD11 LEU A 27 14.806 -5.879 -5.710 1.00 21.44 H new ATOM 0 HD12 LEU A 27 16.063 -6.915 -4.992 1.00 21.44 H new ATOM 0 HD13 LEU A 27 15.073 -5.865 -3.950 1.00 21.44 H new ATOM 0 HD21 LEU A 27 15.135 -3.430 -5.865 1.00 74.34 H new ATOM 0 HD22 LEU A 27 15.410 -3.305 -4.111 1.00 74.34 H new ATOM 0 HD23 LEU A 27 16.628 -2.682 -5.249 1.00 74.34 H new ATOM 457 N VAL A 28 20.287 -4.963 -2.518 1.00 4.45 N ATOM 458 CA VAL A 28 21.109 -5.082 -1.310 1.00 33.13 C ATOM 459 C VAL A 28 22.194 -3.993 -1.270 1.00 15.31 C ATOM 460 O VAL A 28 22.572 -3.521 -0.198 1.00 34.11 O ATOM 461 CB VAL A 28 21.762 -6.485 -1.188 1.00 23.34 C ATOM 462 CG1 VAL A 28 20.689 -7.572 -1.124 1.00 21.50 C ATOM 463 CG2 VAL A 28 22.734 -6.748 -2.338 1.00 63.03 C ATOM 0 H VAL A 28 20.325 -5.772 -3.138 1.00 4.45 H new ATOM 0 HA VAL A 28 20.441 -4.947 -0.460 1.00 33.13 H new ATOM 0 HB VAL A 28 22.334 -6.509 -0.260 1.00 23.34 H new ATOM 0 HG11 VAL A 28 21.165 -8.549 -1.039 1.00 21.50 H new ATOM 0 HG12 VAL A 28 20.051 -7.403 -0.257 1.00 21.50 H new ATOM 0 HG13 VAL A 28 20.085 -7.541 -2.031 1.00 21.50 H new ATOM 0 HG21 VAL A 28 23.174 -7.739 -2.223 1.00 63.03 H new ATOM 0 HG22 VAL A 28 22.198 -6.697 -3.286 1.00 63.03 H new ATOM 0 HG23 VAL A 28 23.523 -5.997 -2.326 1.00 63.03 H new ATOM 473 N GLY A 29 22.673 -3.588 -2.448 1.00 51.12 N ATOM 474 CA GLY A 29 23.639 -2.498 -2.537 1.00 23.11 C ATOM 475 C GLY A 29 23.064 -1.152 -2.097 1.00 64.23 C ATOM 476 O GLY A 29 23.766 -0.333 -1.501 1.00 72.42 O ATOM 0 H GLY A 29 22.409 -3.996 -3.345 1.00 51.12 H new ATOM 0 HA2 GLY A 29 24.505 -2.736 -1.919 1.00 23.11 H new ATOM 0 HA3 GLY A 29 23.993 -2.417 -3.565 1.00 23.11 H new ATOM 480 N MET A 30 21.783 -0.915 -2.394 1.00 2.13 N ATOM 481 CA MET A 30 21.106 0.327 -1.991 1.00 73.54 C ATOM 482 C MET A 30 20.591 0.259 -0.543 1.00 2.42 C ATOM 483 O MET A 30 20.228 1.280 0.040 1.00 72.44 O ATOM 484 CB MET A 30 19.955 0.646 -2.956 1.00 22.21 C ATOM 485 CG MET A 30 20.425 1.056 -4.348 1.00 71.52 C ATOM 486 SD MET A 30 19.064 1.417 -5.476 1.00 21.33 S ATOM 487 CE MET A 30 18.240 -0.174 -5.555 1.00 63.53 C ATOM 0 H MET A 30 21.192 -1.565 -2.912 1.00 2.13 H new ATOM 0 HA MET A 30 21.842 1.130 -2.037 1.00 73.54 H new ATOM 0 HB2 MET A 30 19.310 -0.229 -3.042 1.00 22.21 H new ATOM 0 HB3 MET A 30 19.350 1.448 -2.534 1.00 22.21 H new ATOM 0 HG2 MET A 30 21.063 1.936 -4.265 1.00 71.52 H new ATOM 0 HG3 MET A 30 21.036 0.257 -4.769 1.00 71.52 H new ATOM 0 HE1 MET A 30 17.387 -0.109 -6.231 1.00 63.53 H new ATOM 0 HE2 MET A 30 18.937 -0.927 -5.922 1.00 63.53 H new ATOM 0 HE3 MET A 30 17.894 -0.454 -4.560 1.00 63.53 H new ATOM 497 N GLY A 31 20.555 -0.944 0.036 1.00 61.23 N ATOM 498 CA GLY A 31 20.192 -1.081 1.448 1.00 51.51 C ATOM 499 C GLY A 31 19.017 -2.023 1.715 1.00 11.34 C ATOM 500 O GLY A 31 18.642 -2.225 2.872 1.00 52.14 O ATOM 0 H GLY A 31 20.768 -1.821 -0.440 1.00 61.23 H new ATOM 0 HA2 GLY A 31 21.061 -1.440 2.000 1.00 51.51 H new ATOM 0 HA3 GLY A 31 19.948 -0.095 1.844 1.00 51.51 H new ATOM 504 N PHE A 32 18.432 -2.601 0.663 1.00 60.43 N ATOM 505 CA PHE A 32 17.303 -3.531 0.827 1.00 24.43 C ATOM 506 C PHE A 32 17.714 -4.801 1.585 1.00 22.12 C ATOM 507 O PHE A 32 18.150 -5.785 0.988 1.00 40.11 O ATOM 508 CB PHE A 32 16.696 -3.910 -0.533 1.00 4.12 C ATOM 509 CG PHE A 32 15.861 -2.825 -1.158 1.00 25.11 C ATOM 510 CD1 PHE A 32 16.452 -1.778 -1.849 1.00 53.43 C ATOM 511 CD2 PHE A 32 14.476 -2.855 -1.054 1.00 23.03 C ATOM 512 CE1 PHE A 32 15.679 -0.789 -2.424 1.00 74.11 C ATOM 513 CE2 PHE A 32 13.701 -1.868 -1.626 1.00 53.01 C ATOM 514 CZ PHE A 32 14.302 -0.832 -2.310 1.00 23.22 C ATOM 0 H PHE A 32 18.715 -2.446 -0.305 1.00 60.43 H new ATOM 0 HA PHE A 32 16.550 -3.011 1.419 1.00 24.43 H new ATOM 0 HB2 PHE A 32 17.502 -4.173 -1.218 1.00 4.12 H new ATOM 0 HB3 PHE A 32 16.080 -4.801 -0.408 1.00 4.12 H new ATOM 0 HD1 PHE A 32 17.527 -1.736 -1.938 1.00 53.43 H new ATOM 0 HD2 PHE A 32 14.000 -3.662 -0.518 1.00 23.03 H new ATOM 0 HE1 PHE A 32 16.151 0.019 -2.963 1.00 74.11 H new ATOM 0 HE2 PHE A 32 12.625 -1.906 -1.538 1.00 53.01 H new ATOM 0 HZ PHE A 32 13.698 -0.056 -2.756 1.00 23.22 H new ATOM 524 N VAL A 33 17.600 -4.755 2.909 1.00 75.24 N ATOM 525 CA VAL A 33 17.850 -5.924 3.760 1.00 14.11 C ATOM 526 C VAL A 33 16.714 -6.118 4.779 1.00 10.24 C ATOM 527 O VAL A 33 16.196 -5.143 5.335 1.00 60.54 O ATOM 528 CB VAL A 33 19.207 -5.812 4.510 1.00 22.20 C ATOM 529 CG1 VAL A 33 20.374 -5.792 3.522 1.00 10.45 C ATOM 530 CG2 VAL A 33 19.241 -4.577 5.413 1.00 3.15 C ATOM 0 H VAL A 33 17.334 -3.915 3.423 1.00 75.24 H new ATOM 0 HA VAL A 33 17.892 -6.791 3.101 1.00 14.11 H new ATOM 0 HB VAL A 33 19.310 -6.693 5.144 1.00 22.20 H new ATOM 0 HG11 VAL A 33 21.313 -5.713 4.070 1.00 10.45 H new ATOM 0 HG12 VAL A 33 20.371 -6.712 2.937 1.00 10.45 H new ATOM 0 HG13 VAL A 33 20.271 -4.937 2.854 1.00 10.45 H new ATOM 0 HG21 VAL A 33 20.202 -4.526 5.924 1.00 3.15 H new ATOM 0 HG22 VAL A 33 19.103 -3.680 4.809 1.00 3.15 H new ATOM 0 HG23 VAL A 33 18.441 -4.643 6.151 1.00 3.15 H new ATOM 540 N PRO A 34 16.293 -7.381 5.021 1.00 43.01 N ATOM 541 CA PRO A 34 15.231 -7.700 5.995 1.00 40.14 C ATOM 542 C PRO A 34 15.431 -7.006 7.355 1.00 24.32 C ATOM 543 O PRO A 34 16.417 -7.255 8.055 1.00 13.33 O ATOM 544 CB PRO A 34 15.339 -9.222 6.140 1.00 4.33 C ATOM 545 CG PRO A 34 15.866 -9.682 4.822 1.00 4.40 C ATOM 546 CD PRO A 34 16.805 -8.597 4.349 1.00 21.15 C ATOM 0 HA PRO A 34 14.254 -7.354 5.657 1.00 40.14 H new ATOM 0 HB2 PRO A 34 16.009 -9.497 6.954 1.00 4.33 H new ATOM 0 HB3 PRO A 34 14.370 -9.670 6.359 1.00 4.33 H new ATOM 0 HG2 PRO A 34 16.388 -10.634 4.921 1.00 4.40 H new ATOM 0 HG3 PRO A 34 15.056 -9.835 4.109 1.00 4.40 H new ATOM 0 HD2 PRO A 34 17.837 -8.808 4.631 1.00 21.15 H new ATOM 0 HD3 PRO A 34 16.786 -8.494 3.264 1.00 21.15 H new ATOM 554 N GLY A 35 14.492 -6.130 7.716 1.00 50.40 N ATOM 555 CA GLY A 35 14.589 -5.385 8.971 1.00 51.03 C ATOM 556 C GLY A 35 14.529 -3.871 8.776 1.00 31.13 C ATOM 557 O GLY A 35 14.099 -3.144 9.674 1.00 31.31 O ATOM 0 H GLY A 35 13.662 -5.920 7.162 1.00 50.40 H new ATOM 0 HA2 GLY A 35 13.779 -5.692 9.632 1.00 51.03 H new ATOM 0 HA3 GLY A 35 15.523 -5.644 9.469 1.00 51.03 H new ATOM 561 N GLU A 36 14.955 -3.396 7.606 1.00 34.41 N ATOM 562 CA GLU A 36 14.953 -1.956 7.299 1.00 60.00 C ATOM 563 C GLU A 36 13.538 -1.358 7.239 1.00 3.51 C ATOM 564 O GLU A 36 12.641 -1.905 6.591 1.00 42.35 O ATOM 565 CB GLU A 36 15.668 -1.689 5.960 1.00 64.12 C ATOM 566 CG GLU A 36 17.187 -1.636 6.062 1.00 64.30 C ATOM 567 CD GLU A 36 17.670 -0.463 6.902 1.00 23.32 C ATOM 568 OE1 GLU A 36 17.585 0.693 6.429 1.00 41.42 O ATOM 569 OE2 GLU A 36 18.128 -0.687 8.042 1.00 20.00 O ATOM 0 H GLU A 36 15.307 -3.984 6.851 1.00 34.41 H new ATOM 0 HA GLU A 36 15.485 -1.470 8.117 1.00 60.00 H new ATOM 0 HB2 GLU A 36 15.390 -2.469 5.251 1.00 64.12 H new ATOM 0 HB3 GLU A 36 15.309 -0.744 5.552 1.00 64.12 H new ATOM 0 HG2 GLU A 36 17.552 -2.566 6.497 1.00 64.30 H new ATOM 0 HG3 GLU A 36 17.614 -1.563 5.062 1.00 64.30 H new ATOM 576 N GLU A 37 13.349 -0.233 7.928 1.00 23.32 N ATOM 577 CA GLU A 37 12.136 0.577 7.780 1.00 44.43 C ATOM 578 C GLU A 37 12.164 1.336 6.444 1.00 52.30 C ATOM 579 O GLU A 37 13.055 2.154 6.203 1.00 20.41 O ATOM 580 CB GLU A 37 11.998 1.583 8.939 1.00 31.44 C ATOM 581 CG GLU A 37 11.552 0.969 10.267 1.00 12.14 C ATOM 582 CD GLU A 37 12.503 -0.088 10.809 1.00 3.14 C ATOM 583 OE1 GLU A 37 13.731 0.143 10.795 1.00 74.44 O ATOM 584 OE2 GLU A 37 12.021 -1.151 11.256 1.00 71.44 O ATOM 0 H GLU A 37 14.022 0.141 8.597 1.00 23.32 H new ATOM 0 HA GLU A 37 11.279 -0.096 7.798 1.00 44.43 H new ATOM 0 HB2 GLU A 37 12.957 2.080 9.088 1.00 31.44 H new ATOM 0 HB3 GLU A 37 11.282 2.353 8.651 1.00 31.44 H new ATOM 0 HG2 GLU A 37 11.448 1.763 11.006 1.00 12.14 H new ATOM 0 HG3 GLU A 37 10.566 0.524 10.137 1.00 12.14 H new ATOM 591 N ILE A 38 11.189 1.060 5.584 1.00 33.15 N ATOM 592 CA ILE A 38 11.110 1.694 4.264 1.00 62.23 C ATOM 593 C ILE A 38 9.750 2.383 4.048 1.00 63.55 C ATOM 594 O ILE A 38 8.695 1.776 4.216 1.00 52.12 O ATOM 595 CB ILE A 38 11.351 0.652 3.136 1.00 14.15 C ATOM 596 CG1 ILE A 38 11.227 1.314 1.752 1.00 5.13 C ATOM 597 CG2 ILE A 38 10.385 -0.530 3.269 1.00 63.22 C ATOM 598 CD1 ILE A 38 11.443 0.364 0.593 1.00 42.22 C ATOM 0 H ILE A 38 10.437 0.398 5.775 1.00 33.15 H new ATOM 0 HA ILE A 38 11.891 2.453 4.224 1.00 62.23 H new ATOM 0 HB ILE A 38 12.365 0.267 3.238 1.00 14.15 H new ATOM 0 HG12 ILE A 38 10.237 1.761 1.662 1.00 5.13 H new ATOM 0 HG13 ILE A 38 11.951 2.126 1.683 1.00 5.13 H new ATOM 0 HG21 ILE A 38 10.573 -1.246 2.469 1.00 63.22 H new ATOM 0 HG22 ILE A 38 10.535 -1.016 4.233 1.00 63.22 H new ATOM 0 HG23 ILE A 38 9.358 -0.170 3.200 1.00 63.22 H new ATOM 0 HD11 ILE A 38 11.339 0.907 -0.347 1.00 42.22 H new ATOM 0 HD12 ILE A 38 12.443 -0.065 0.656 1.00 42.22 H new ATOM 0 HD13 ILE A 38 10.703 -0.435 0.634 1.00 42.22 H new ATOM 610 N GLU A 39 9.781 3.658 3.674 1.00 12.10 N ATOM 611 CA GLU A 39 8.556 4.414 3.393 1.00 31.44 C ATOM 612 C GLU A 39 8.609 5.070 2.009 1.00 31.40 C ATOM 613 O GLU A 39 9.680 5.463 1.537 1.00 41.12 O ATOM 614 CB GLU A 39 8.334 5.487 4.471 1.00 23.34 C ATOM 615 CG GLU A 39 9.446 6.529 4.554 1.00 40.42 C ATOM 616 CD GLU A 39 9.139 7.632 5.555 1.00 24.23 C ATOM 617 OE1 GLU A 39 8.452 8.606 5.181 1.00 73.05 O ATOM 618 OE2 GLU A 39 9.582 7.534 6.718 1.00 55.10 O ATOM 0 H GLU A 39 10.641 4.194 3.557 1.00 12.10 H new ATOM 0 HA GLU A 39 7.722 3.712 3.405 1.00 31.44 H new ATOM 0 HB2 GLU A 39 7.390 5.994 4.274 1.00 23.34 H new ATOM 0 HB3 GLU A 39 8.237 4.998 5.440 1.00 23.34 H new ATOM 0 HG2 GLU A 39 10.378 6.039 4.834 1.00 40.42 H new ATOM 0 HG3 GLU A 39 9.600 6.970 3.569 1.00 40.42 H new ATOM 625 N ILE A 40 7.457 5.174 1.355 1.00 62.32 N ATOM 626 CA ILE A 40 7.367 5.859 0.064 1.00 1.12 C ATOM 627 C ILE A 40 7.215 7.375 0.268 1.00 55.12 C ATOM 628 O ILE A 40 6.323 7.830 0.986 1.00 44.13 O ATOM 629 CB ILE A 40 6.178 5.336 -0.784 1.00 0.12 C ATOM 630 CG1 ILE A 40 6.301 3.822 -1.023 1.00 11.12 C ATOM 631 CG2 ILE A 40 6.090 6.087 -2.115 1.00 51.13 C ATOM 632 CD1 ILE A 40 7.546 3.410 -1.786 1.00 41.14 C ATOM 0 H ILE A 40 6.573 4.795 1.694 1.00 62.32 H new ATOM 0 HA ILE A 40 8.292 5.651 -0.474 1.00 1.12 H new ATOM 0 HB ILE A 40 5.259 5.519 -0.227 1.00 0.12 H new ATOM 0 HG12 ILE A 40 6.294 3.312 -0.060 1.00 11.12 H new ATOM 0 HG13 ILE A 40 5.423 3.480 -1.571 1.00 11.12 H new ATOM 0 HG21 ILE A 40 5.249 5.704 -2.694 1.00 51.13 H new ATOM 0 HG22 ILE A 40 5.945 7.150 -1.924 1.00 51.13 H new ATOM 0 HG23 ILE A 40 7.013 5.942 -2.676 1.00 51.13 H new ATOM 0 HD11 ILE A 40 7.554 2.327 -1.911 1.00 41.14 H new ATOM 0 HD12 ILE A 40 7.548 3.888 -2.765 1.00 41.14 H new ATOM 0 HD13 ILE A 40 8.432 3.718 -1.230 1.00 41.14 H new ATOM 644 N VAL A 41 8.093 8.149 -0.357 1.00 30.32 N ATOM 645 CA VAL A 41 8.064 9.610 -0.240 1.00 54.51 C ATOM 646 C VAL A 41 7.160 10.235 -1.311 1.00 43.42 C ATOM 647 O VAL A 41 6.317 11.083 -1.015 1.00 75.01 O ATOM 648 CB VAL A 41 9.486 10.208 -0.375 1.00 31.31 C ATOM 649 CG1 VAL A 41 9.488 11.702 -0.056 1.00 3.21 C ATOM 650 CG2 VAL A 41 10.471 9.457 0.515 1.00 14.14 C ATOM 0 H VAL A 41 8.839 7.792 -0.954 1.00 30.32 H new ATOM 0 HA VAL A 41 7.665 9.842 0.748 1.00 54.51 H new ATOM 0 HB VAL A 41 9.805 10.091 -1.411 1.00 31.31 H new ATOM 0 HG11 VAL A 41 10.500 12.095 -0.159 1.00 3.21 H new ATOM 0 HG12 VAL A 41 8.825 12.222 -0.747 1.00 3.21 H new ATOM 0 HG13 VAL A 41 9.141 11.856 0.966 1.00 3.21 H new ATOM 0 HG21 VAL A 41 11.464 9.892 0.406 1.00 14.14 H new ATOM 0 HG22 VAL A 41 10.153 9.534 1.555 1.00 14.14 H new ATOM 0 HG23 VAL A 41 10.500 8.408 0.221 1.00 14.14 H new ATOM 660 N GLN A 42 7.342 9.804 -2.556 1.00 75.34 N ATOM 661 CA GLN A 42 6.588 10.351 -3.689 1.00 64.41 C ATOM 662 C GLN A 42 6.506 9.347 -4.851 1.00 72.34 C ATOM 663 O GLN A 42 7.367 8.471 -4.999 1.00 21.35 O ATOM 664 CB GLN A 42 7.236 11.662 -4.163 1.00 3.31 C ATOM 665 CG GLN A 42 8.721 11.535 -4.492 1.00 75.34 C ATOM 666 CD GLN A 42 9.339 12.849 -4.936 1.00 13.05 C ATOM 667 OE1 GLN A 42 9.827 13.627 -4.123 1.00 45.21 O ATOM 668 NE2 GLN A 42 9.323 13.104 -6.227 1.00 13.14 N ATOM 0 H GLN A 42 8.008 9.074 -2.811 1.00 75.34 H new ATOM 0 HA GLN A 42 5.571 10.551 -3.353 1.00 64.41 H new ATOM 0 HB2 GLN A 42 6.707 12.018 -5.047 1.00 3.31 H new ATOM 0 HB3 GLN A 42 7.109 12.419 -3.389 1.00 3.31 H new ATOM 0 HG2 GLN A 42 9.253 11.167 -3.615 1.00 75.34 H new ATOM 0 HG3 GLN A 42 8.852 10.793 -5.279 1.00 75.34 H new ATOM 0 HE21 GLN A 42 8.908 12.433 -6.874 1.00 13.14 H new ATOM 0 HE22 GLN A 42 9.725 13.972 -6.580 1.00 13.14 H new ATOM 677 N VAL A 43 5.461 9.481 -5.667 1.00 1.12 N ATOM 678 CA VAL A 43 5.227 8.589 -6.813 1.00 71.44 C ATOM 679 C VAL A 43 5.142 9.384 -8.128 1.00 64.33 C ATOM 680 O VAL A 43 4.368 10.339 -8.238 1.00 11.54 O ATOM 681 CB VAL A 43 3.915 7.778 -6.627 1.00 71.44 C ATOM 682 CG1 VAL A 43 3.634 6.889 -7.840 1.00 33.23 C ATOM 683 CG2 VAL A 43 3.969 6.949 -5.343 1.00 43.33 C ATOM 0 H VAL A 43 4.753 10.207 -5.557 1.00 1.12 H new ATOM 0 HA VAL A 43 6.073 7.903 -6.864 1.00 71.44 H new ATOM 0 HB VAL A 43 3.093 8.488 -6.541 1.00 71.44 H new ATOM 0 HG11 VAL A 43 2.709 6.335 -7.679 1.00 33.23 H new ATOM 0 HG12 VAL A 43 3.534 7.510 -8.731 1.00 33.23 H new ATOM 0 HG13 VAL A 43 4.458 6.188 -7.976 1.00 33.23 H new ATOM 0 HG21 VAL A 43 3.040 6.389 -5.232 1.00 43.33 H new ATOM 0 HG22 VAL A 43 4.808 6.255 -5.393 1.00 43.33 H new ATOM 0 HG23 VAL A 43 4.097 7.612 -4.487 1.00 43.33 H new ATOM 693 N ALA A 44 5.935 8.984 -9.125 1.00 1.33 N ATOM 694 CA ALA A 44 5.923 9.645 -10.435 1.00 73.43 C ATOM 695 C ALA A 44 4.556 9.502 -11.127 1.00 11.13 C ATOM 696 O ALA A 44 3.940 8.436 -11.078 1.00 4.15 O ATOM 697 CB ALA A 44 7.022 9.079 -11.328 1.00 52.43 C ATOM 0 H ALA A 44 6.592 8.208 -9.052 1.00 1.33 H new ATOM 0 HA ALA A 44 6.108 10.706 -10.270 1.00 73.43 H new ATOM 0 HB1 ALA A 44 6.999 9.580 -12.296 1.00 52.43 H new ATOM 0 HB2 ALA A 44 7.992 9.241 -10.858 1.00 52.43 H new ATOM 0 HB3 ALA A 44 6.862 8.010 -11.469 1.00 52.43 H new ATOM 703 N PRO A 45 4.072 10.566 -11.805 1.00 22.41 N ATOM 704 CA PRO A 45 2.752 10.558 -12.471 1.00 45.34 C ATOM 705 C PRO A 45 2.578 9.406 -13.481 1.00 3.52 C ATOM 706 O PRO A 45 1.453 9.033 -13.824 1.00 10.41 O ATOM 707 CB PRO A 45 2.692 11.920 -13.186 1.00 23.15 C ATOM 708 CG PRO A 45 4.100 12.423 -13.204 1.00 61.12 C ATOM 709 CD PRO A 45 4.760 11.858 -11.977 1.00 53.30 C ATOM 0 HA PRO A 45 1.951 10.403 -11.748 1.00 45.34 H new ATOM 0 HB2 PRO A 45 2.299 11.815 -14.197 1.00 23.15 H new ATOM 0 HB3 PRO A 45 2.035 12.612 -12.659 1.00 23.15 H new ATOM 0 HG2 PRO A 45 4.617 12.101 -14.108 1.00 61.12 H new ATOM 0 HG3 PRO A 45 4.125 13.513 -13.193 1.00 61.12 H new ATOM 0 HD2 PRO A 45 5.833 11.730 -12.117 1.00 53.30 H new ATOM 0 HD3 PRO A 45 4.627 12.506 -11.111 1.00 53.30 H new ATOM 717 N LEU A 46 3.694 8.841 -13.946 1.00 11.11 N ATOM 718 CA LEU A 46 3.673 7.724 -14.905 1.00 11.11 C ATOM 719 C LEU A 46 3.536 6.361 -14.193 1.00 12.15 C ATOM 720 O LEU A 46 3.670 5.308 -14.820 1.00 63.40 O ATOM 721 CB LEU A 46 4.957 7.723 -15.764 1.00 12.14 C ATOM 722 CG LEU A 46 5.172 8.953 -16.670 1.00 61.41 C ATOM 723 CD1 LEU A 46 5.519 10.193 -15.850 1.00 42.30 C ATOM 724 CD2 LEU A 46 6.261 8.671 -17.706 1.00 50.15 C ATOM 0 H LEU A 46 4.631 9.138 -13.675 1.00 11.11 H new ATOM 0 HA LEU A 46 2.803 7.868 -15.545 1.00 11.11 H new ATOM 0 HB2 LEU A 46 5.815 7.634 -15.097 1.00 12.14 H new ATOM 0 HB3 LEU A 46 4.948 6.832 -16.392 1.00 12.14 H new ATOM 0 HG LEU A 46 4.236 9.151 -17.193 1.00 61.41 H new ATOM 0 HD11 LEU A 46 5.664 11.042 -16.518 1.00 42.30 H new ATOM 0 HD12 LEU A 46 4.706 10.411 -15.158 1.00 42.30 H new ATOM 0 HD13 LEU A 46 6.435 10.013 -15.288 1.00 42.30 H new ATOM 0 HD21 LEU A 46 6.400 9.549 -18.337 1.00 50.15 H new ATOM 0 HD22 LEU A 46 7.196 8.439 -17.197 1.00 50.15 H new ATOM 0 HD23 LEU A 46 5.964 7.824 -18.324 1.00 50.15 H new ATOM 736 N GLY A 47 3.276 6.385 -12.886 1.00 54.45 N ATOM 737 CA GLY A 47 3.197 5.151 -12.105 1.00 35.10 C ATOM 738 C GLY A 47 4.535 4.787 -11.470 1.00 24.25 C ATOM 739 O GLY A 47 4.602 4.416 -10.298 1.00 42.32 O ATOM 0 H GLY A 47 3.118 7.238 -12.349 1.00 54.45 H new ATOM 0 HA2 GLY A 47 2.445 5.264 -11.324 1.00 35.10 H new ATOM 0 HA3 GLY A 47 2.868 4.335 -12.749 1.00 35.10 H new ATOM 743 N ASP A 48 5.598 4.881 -12.264 1.00 30.30 N ATOM 744 CA ASP A 48 6.967 4.695 -11.779 1.00 3.44 C ATOM 745 C ASP A 48 7.942 5.577 -12.592 1.00 4.15 C ATOM 746 O ASP A 48 7.614 5.996 -13.708 1.00 72.45 O ATOM 747 CB ASP A 48 7.358 3.209 -11.843 1.00 31.24 C ATOM 748 CG ASP A 48 7.415 2.653 -13.260 1.00 42.32 C ATOM 749 OD1 ASP A 48 6.447 2.836 -14.026 1.00 2.12 O ATOM 750 OD2 ASP A 48 8.427 2.008 -13.609 1.00 20.51 O ATOM 0 H ASP A 48 5.537 5.088 -13.261 1.00 30.30 H new ATOM 0 HA ASP A 48 7.025 5.007 -10.736 1.00 3.44 H new ATOM 0 HB2 ASP A 48 8.332 3.078 -11.371 1.00 31.24 H new ATOM 0 HB3 ASP A 48 6.641 2.628 -11.262 1.00 31.24 H new ATOM 755 N PRO A 49 9.160 5.867 -12.075 1.00 14.53 N ATOM 756 CA PRO A 49 9.695 5.303 -10.815 1.00 21.52 C ATOM 757 C PRO A 49 9.050 5.873 -9.535 1.00 12.10 C ATOM 758 O PRO A 49 8.397 6.917 -9.554 1.00 53.41 O ATOM 759 CB PRO A 49 11.195 5.676 -10.858 1.00 31.32 C ATOM 760 CG PRO A 49 11.439 6.247 -12.220 1.00 62.03 C ATOM 761 CD PRO A 49 10.121 6.791 -12.690 1.00 75.32 C ATOM 0 HA PRO A 49 9.490 4.234 -10.762 1.00 21.52 H new ATOM 0 HB2 PRO A 49 11.439 6.401 -10.081 1.00 31.32 H new ATOM 0 HB3 PRO A 49 11.820 4.800 -10.684 1.00 31.32 H new ATOM 0 HG2 PRO A 49 12.193 7.033 -12.183 1.00 62.03 H new ATOM 0 HG3 PRO A 49 11.809 5.482 -12.902 1.00 62.03 H new ATOM 0 HD2 PRO A 49 9.965 7.818 -12.360 1.00 75.32 H new ATOM 0 HD3 PRO A 49 10.046 6.790 -13.777 1.00 75.32 H new ATOM 769 N ILE A 50 9.248 5.167 -8.421 1.00 11.30 N ATOM 770 CA ILE A 50 8.787 5.626 -7.107 1.00 12.15 C ATOM 771 C ILE A 50 9.979 5.838 -6.163 1.00 34.02 C ATOM 772 O ILE A 50 10.936 5.055 -6.170 1.00 11.44 O ATOM 773 CB ILE A 50 7.770 4.649 -6.443 1.00 62.41 C ATOM 774 CG1 ILE A 50 8.359 3.230 -6.253 1.00 12.42 C ATOM 775 CG2 ILE A 50 6.478 4.590 -7.255 1.00 24.01 C ATOM 776 CD1 ILE A 50 8.304 2.348 -7.486 1.00 54.13 C ATOM 0 H ILE A 50 9.729 4.267 -8.402 1.00 11.30 H new ATOM 0 HA ILE A 50 8.270 6.571 -7.277 1.00 12.15 H new ATOM 0 HB ILE A 50 7.548 5.040 -5.450 1.00 62.41 H new ATOM 0 HG12 ILE A 50 9.398 3.323 -5.936 1.00 12.42 H new ATOM 0 HG13 ILE A 50 7.822 2.734 -5.445 1.00 12.42 H new ATOM 0 HG21 ILE A 50 5.779 3.903 -6.777 1.00 24.01 H new ATOM 0 HG22 ILE A 50 6.034 5.584 -7.304 1.00 24.01 H new ATOM 0 HG23 ILE A 50 6.698 4.240 -8.264 1.00 24.01 H new ATOM 0 HD11 ILE A 50 8.739 1.375 -7.257 1.00 54.13 H new ATOM 0 HD12 ILE A 50 7.267 2.218 -7.795 1.00 54.13 H new ATOM 0 HD13 ILE A 50 8.867 2.816 -8.293 1.00 54.13 H new ATOM 788 N VAL A 51 9.929 6.899 -5.363 1.00 21.21 N ATOM 789 CA VAL A 51 11.036 7.237 -4.460 1.00 34.11 C ATOM 790 C VAL A 51 10.738 6.812 -3.012 1.00 23.44 C ATOM 791 O VAL A 51 9.803 7.313 -2.382 1.00 13.24 O ATOM 792 CB VAL A 51 11.345 8.758 -4.495 1.00 32.12 C ATOM 793 CG1 VAL A 51 12.551 9.093 -3.617 1.00 1.22 C ATOM 794 CG2 VAL A 51 11.568 9.229 -5.933 1.00 64.22 C ATOM 0 H VAL A 51 9.138 7.541 -5.318 1.00 21.21 H new ATOM 0 HA VAL A 51 11.908 6.686 -4.814 1.00 34.11 H new ATOM 0 HB VAL A 51 10.482 9.289 -4.092 1.00 32.12 H new ATOM 0 HG11 VAL A 51 12.746 10.165 -3.660 1.00 1.22 H new ATOM 0 HG12 VAL A 51 12.343 8.803 -2.587 1.00 1.22 H new ATOM 0 HG13 VAL A 51 13.425 8.551 -3.977 1.00 1.22 H new ATOM 0 HG21 VAL A 51 11.783 10.298 -5.937 1.00 64.22 H new ATOM 0 HG22 VAL A 51 12.409 8.688 -6.367 1.00 64.22 H new ATOM 0 HG23 VAL A 51 10.671 9.038 -6.522 1.00 64.22 H new ATOM 804 N CYS A 52 11.543 5.888 -2.491 1.00 44.11 N ATOM 805 CA CYS A 52 11.399 5.401 -1.111 1.00 41.51 C ATOM 806 C CYS A 52 12.565 5.879 -0.230 1.00 72.23 C ATOM 807 O CYS A 52 13.429 6.630 -0.684 1.00 42.34 O ATOM 808 CB CYS A 52 11.330 3.868 -1.100 1.00 10.53 C ATOM 809 SG CYS A 52 12.787 3.055 -1.797 1.00 41.52 S ATOM 0 H CYS A 52 12.310 5.455 -3.005 1.00 44.11 H new ATOM 0 HA CYS A 52 10.474 5.808 -0.702 1.00 41.51 H new ATOM 0 HB2 CYS A 52 11.195 3.529 -0.073 1.00 10.53 H new ATOM 0 HB3 CYS A 52 10.449 3.551 -1.658 1.00 10.53 H new ATOM 0 HG CYS A 52 13.199 3.719 -2.836 1.00 41.52 H new ATOM 815 N LYS A 53 12.575 5.462 1.036 1.00 24.44 N ATOM 816 CA LYS A 53 13.668 5.807 1.964 1.00 10.45 C ATOM 817 C LYS A 53 14.249 4.565 2.657 1.00 54.45 C ATOM 818 O LYS A 53 13.541 3.843 3.359 1.00 22.23 O ATOM 819 CB LYS A 53 13.185 6.813 3.023 1.00 14.21 C ATOM 820 CG LYS A 53 13.080 8.248 2.511 1.00 51.10 C ATOM 821 CD LYS A 53 12.459 9.192 3.544 1.00 41.40 C ATOM 822 CE LYS A 53 13.252 9.229 4.847 1.00 64.31 C ATOM 823 NZ LYS A 53 14.626 9.767 4.658 1.00 15.22 N ATOM 0 H LYS A 53 11.842 4.885 1.448 1.00 24.44 H new ATOM 0 HA LYS A 53 14.459 6.261 1.368 1.00 10.45 H new ATOM 0 HB2 LYS A 53 12.209 6.497 3.392 1.00 14.21 H new ATOM 0 HB3 LYS A 53 13.869 6.789 3.871 1.00 14.21 H new ATOM 0 HG2 LYS A 53 14.073 8.609 2.244 1.00 51.10 H new ATOM 0 HG3 LYS A 53 12.480 8.263 1.601 1.00 51.10 H new ATOM 0 HD2 LYS A 53 12.404 10.197 3.127 1.00 41.40 H new ATOM 0 HD3 LYS A 53 11.437 8.877 3.753 1.00 41.40 H new ATOM 0 HE2 LYS A 53 12.721 9.842 5.575 1.00 64.31 H new ATOM 0 HE3 LYS A 53 13.312 8.223 5.261 1.00 64.31 H new ATOM 0 HZ1 LYS A 53 14.833 10.461 5.405 1.00 15.22 H new ATOM 0 HZ2 LYS A 53 15.314 8.988 4.709 1.00 15.22 H new ATOM 0 HZ3 LYS A 53 14.693 10.228 3.728 1.00 15.22 H new ATOM 837 N ILE A 54 15.548 4.335 2.452 1.00 62.42 N ATOM 838 CA ILE A 54 16.286 3.255 3.125 1.00 15.34 C ATOM 839 C ILE A 54 17.669 3.753 3.563 1.00 72.33 C ATOM 840 O ILE A 54 18.324 4.509 2.836 1.00 21.50 O ATOM 841 CB ILE A 54 16.457 2.002 2.221 1.00 64.43 C ATOM 842 CG1 ILE A 54 15.092 1.364 1.924 1.00 23.42 C ATOM 843 CG2 ILE A 54 17.394 0.980 2.872 1.00 54.43 C ATOM 844 CD1 ILE A 54 15.180 0.079 1.130 1.00 71.03 C ATOM 0 H ILE A 54 16.121 4.890 1.816 1.00 62.42 H new ATOM 0 HA ILE A 54 15.697 2.963 3.995 1.00 15.34 H new ATOM 0 HB ILE A 54 16.905 2.322 1.280 1.00 64.43 H new ATOM 0 HG12 ILE A 54 14.582 1.164 2.866 1.00 23.42 H new ATOM 0 HG13 ILE A 54 14.479 2.079 1.375 1.00 23.42 H new ATOM 0 HG21 ILE A 54 17.497 0.113 2.219 1.00 54.43 H new ATOM 0 HG22 ILE A 54 18.373 1.433 3.030 1.00 54.43 H new ATOM 0 HG23 ILE A 54 16.980 0.666 3.830 1.00 54.43 H new ATOM 0 HD11 ILE A 54 14.177 -0.313 0.959 1.00 71.03 H new ATOM 0 HD12 ILE A 54 15.661 0.276 0.172 1.00 71.03 H new ATOM 0 HD13 ILE A 54 15.765 -0.653 1.686 1.00 71.03 H new ATOM 856 N GLY A 55 18.115 3.334 4.748 1.00 41.01 N ATOM 857 CA GLY A 55 19.368 3.842 5.290 1.00 1.22 C ATOM 858 C GLY A 55 19.383 5.364 5.356 1.00 34.51 C ATOM 859 O GLY A 55 20.371 6.003 4.991 1.00 41.11 O ATOM 0 H GLY A 55 17.634 2.656 5.339 1.00 41.01 H new ATOM 0 HA2 GLY A 55 19.524 3.434 6.289 1.00 1.22 H new ATOM 0 HA3 GLY A 55 20.197 3.497 4.672 1.00 1.22 H new ATOM 863 N ASN A 56 18.251 5.932 5.787 1.00 11.41 N ATOM 864 CA ASN A 56 18.052 7.389 5.878 1.00 50.11 C ATOM 865 C ASN A 56 17.885 8.059 4.497 1.00 44.54 C ATOM 866 O ASN A 56 17.104 9.004 4.357 1.00 32.01 O ATOM 867 CB ASN A 56 19.189 8.062 6.665 1.00 12.43 C ATOM 868 CG ASN A 56 19.311 7.514 8.075 1.00 23.14 C ATOM 869 OD1 ASN A 56 20.067 6.580 8.328 1.00 21.24 O ATOM 870 ND2 ASN A 56 18.563 8.078 9.001 1.00 10.42 N ATOM 0 H ASN A 56 17.439 5.392 6.086 1.00 11.41 H new ATOM 0 HA ASN A 56 17.117 7.532 6.420 1.00 50.11 H new ATOM 0 HB2 ASN A 56 20.131 7.915 6.137 1.00 12.43 H new ATOM 0 HB3 ASN A 56 19.012 9.137 6.708 1.00 12.43 H new ATOM 0 HD21 ASN A 56 18.601 7.740 9.963 1.00 10.42 H new ATOM 0 HD22 ASN A 56 17.946 8.852 8.756 1.00 10.42 H new ATOM 877 N ARG A 57 18.583 7.564 3.472 1.00 12.33 N ATOM 878 CA ARG A 57 18.561 8.204 2.148 1.00 23.53 C ATOM 879 C ARG A 57 17.360 7.750 1.307 1.00 41.35 C ATOM 880 O ARG A 57 16.591 6.875 1.708 1.00 45.10 O ATOM 881 CB ARG A 57 19.858 7.919 1.376 1.00 35.02 C ATOM 882 CG ARG A 57 20.130 6.435 1.135 1.00 11.34 C ATOM 883 CD ARG A 57 21.037 6.217 -0.074 1.00 73.14 C ATOM 884 NE ARG A 57 20.360 6.573 -1.324 1.00 55.32 N ATOM 885 CZ ARG A 57 20.936 7.137 -2.349 1.00 21.14 C ATOM 886 NH1 ARG A 57 22.189 7.450 -2.323 1.00 24.41 N ATOM 887 NH2 ARG A 57 20.243 7.404 -3.404 1.00 61.31 N ATOM 0 H ARG A 57 19.167 6.729 3.529 1.00 12.33 H new ATOM 0 HA ARG A 57 18.471 9.276 2.324 1.00 23.53 H new ATOM 0 HB2 ARG A 57 19.815 8.430 0.414 1.00 35.02 H new ATOM 0 HB3 ARG A 57 20.696 8.346 1.926 1.00 35.02 H new ATOM 0 HG2 ARG A 57 20.594 6.001 2.021 1.00 11.34 H new ATOM 0 HG3 ARG A 57 19.186 5.912 0.981 1.00 11.34 H new ATOM 0 HD2 ARG A 57 21.941 6.816 0.035 1.00 73.14 H new ATOM 0 HD3 ARG A 57 21.349 5.173 -0.112 1.00 73.14 H new ATOM 0 HE ARG A 57 19.364 6.364 -1.398 1.00 55.32 H new ATOM 0 HH11 ARG A 57 22.746 7.257 -1.491 1.00 24.41 H new ATOM 0 HH12 ARG A 57 22.622 7.891 -3.135 1.00 24.41 H new ATOM 0 HH21 ARG A 57 19.250 7.174 -3.433 1.00 61.31 H new ATOM 0 HH22 ARG A 57 20.688 7.845 -4.209 1.00 61.31 H new ATOM 901 N ASN A 58 17.212 8.356 0.134 1.00 55.41 N ATOM 902 CA ASN A 58 16.135 8.010 -0.795 1.00 61.23 C ATOM 903 C ASN A 58 16.616 7.022 -1.871 1.00 2.33 C ATOM 904 O ASN A 58 17.748 7.109 -2.354 1.00 3.13 O ATOM 905 CB ASN A 58 15.585 9.275 -1.458 1.00 52.11 C ATOM 906 CG ASN A 58 15.016 10.257 -0.452 1.00 53.05 C ATOM 907 OD1 ASN A 58 15.712 11.137 0.044 1.00 11.40 O ATOM 908 ND2 ASN A 58 13.747 10.109 -0.131 1.00 24.23 N ATOM 0 H ASN A 58 17.829 9.096 -0.201 1.00 55.41 H new ATOM 0 HA ASN A 58 15.343 7.527 -0.223 1.00 61.23 H new ATOM 0 HB2 ASN A 58 16.380 9.760 -2.024 1.00 52.11 H new ATOM 0 HB3 ASN A 58 14.808 8.999 -2.171 1.00 52.11 H new ATOM 0 HD21 ASN A 58 13.316 10.736 0.548 1.00 24.23 H new ATOM 0 HD22 ASN A 58 13.195 9.367 -0.562 1.00 24.23 H new ATOM 915 N ILE A 59 15.752 6.079 -2.237 1.00 70.51 N ATOM 916 CA ILE A 59 16.078 5.078 -3.261 1.00 23.12 C ATOM 917 C ILE A 59 15.063 5.128 -4.420 1.00 14.13 C ATOM 918 O ILE A 59 13.865 5.324 -4.201 1.00 3.25 O ATOM 919 CB ILE A 59 16.100 3.643 -2.662 1.00 63.23 C ATOM 920 CG1 ILE A 59 16.936 3.590 -1.368 1.00 54.44 C ATOM 921 CG2 ILE A 59 16.651 2.655 -3.683 1.00 54.44 C ATOM 922 CD1 ILE A 59 18.411 3.874 -1.568 1.00 3.24 C ATOM 0 H ILE A 59 14.817 5.983 -1.841 1.00 70.51 H new ATOM 0 HA ILE A 59 17.072 5.317 -3.640 1.00 23.12 H new ATOM 0 HB ILE A 59 15.075 3.367 -2.414 1.00 63.23 H new ATOM 0 HG12 ILE A 59 16.532 4.312 -0.658 1.00 54.44 H new ATOM 0 HG13 ILE A 59 16.825 2.604 -0.918 1.00 54.44 H new ATOM 0 HG21 ILE A 59 16.661 1.654 -3.252 1.00 54.44 H new ATOM 0 HG22 ILE A 59 16.020 2.661 -4.572 1.00 54.44 H new ATOM 0 HG23 ILE A 59 17.666 2.943 -3.957 1.00 54.44 H new ATOM 0 HD11 ILE A 59 18.926 3.817 -0.609 1.00 3.24 H new ATOM 0 HD12 ILE A 59 18.834 3.138 -2.251 1.00 3.24 H new ATOM 0 HD13 ILE A 59 18.536 4.872 -1.988 1.00 3.24 H new ATOM 934 N THR A 60 15.542 4.944 -5.651 1.00 12.11 N ATOM 935 CA THR A 60 14.682 5.033 -6.844 1.00 70.40 C ATOM 936 C THR A 60 14.384 3.642 -7.438 1.00 10.34 C ATOM 937 O THR A 60 15.275 2.978 -7.974 1.00 51.41 O ATOM 938 CB THR A 60 15.334 5.915 -7.940 1.00 23.24 C ATOM 939 OG1 THR A 60 15.723 7.189 -7.393 1.00 33.33 O ATOM 940 CG2 THR A 60 14.379 6.139 -9.110 1.00 24.12 C ATOM 0 H THR A 60 16.519 4.732 -5.854 1.00 12.11 H new ATOM 0 HA THR A 60 13.746 5.487 -6.518 1.00 70.40 H new ATOM 0 HB THR A 60 16.216 5.389 -8.304 1.00 23.24 H new ATOM 0 HG1 THR A 60 16.135 7.735 -8.095 1.00 33.33 H new ATOM 0 HG21 THR A 60 14.865 6.761 -9.862 1.00 24.12 H new ATOM 0 HG22 THR A 60 14.112 5.178 -9.551 1.00 24.12 H new ATOM 0 HG23 THR A 60 13.478 6.638 -8.754 1.00 24.12 H new ATOM 948 N LEU A 61 13.125 3.205 -7.341 1.00 10.41 N ATOM 949 CA LEU A 61 12.702 1.891 -7.865 1.00 73.34 C ATOM 950 C LEU A 61 11.707 2.023 -9.030 1.00 64.21 C ATOM 951 O LEU A 61 10.969 3.002 -9.130 1.00 41.03 O ATOM 952 CB LEU A 61 12.061 1.042 -6.745 1.00 74.33 C ATOM 953 CG LEU A 61 13.025 0.189 -5.899 1.00 4.22 C ATOM 954 CD1 LEU A 61 13.689 -0.887 -6.754 1.00 32.10 C ATOM 955 CD2 LEU A 61 14.074 1.056 -5.220 1.00 75.24 C ATOM 0 H LEU A 61 12.374 3.740 -6.904 1.00 10.41 H new ATOM 0 HA LEU A 61 13.600 1.398 -8.238 1.00 73.34 H new ATOM 0 HB2 LEU A 61 11.519 1.711 -6.076 1.00 74.33 H new ATOM 0 HB3 LEU A 61 11.324 0.378 -7.198 1.00 74.33 H new ATOM 0 HG LEU A 61 12.440 -0.302 -5.122 1.00 4.22 H new ATOM 0 HD11 LEU A 61 14.365 -1.477 -6.136 1.00 32.10 H new ATOM 0 HD12 LEU A 61 12.924 -1.538 -7.178 1.00 32.10 H new ATOM 0 HD13 LEU A 61 14.252 -0.416 -7.560 1.00 32.10 H new ATOM 0 HD21 LEU A 61 14.740 0.426 -4.630 1.00 75.24 H new ATOM 0 HD22 LEU A 61 14.652 1.587 -5.976 1.00 75.24 H new ATOM 0 HD23 LEU A 61 13.583 1.777 -4.566 1.00 75.24 H new ATOM 967 N ARG A 62 11.696 1.022 -9.908 1.00 72.10 N ATOM 968 CA ARG A 62 10.688 0.918 -10.972 1.00 54.12 C ATOM 969 C ARG A 62 9.604 -0.096 -10.569 1.00 13.31 C ATOM 970 O ARG A 62 9.742 -0.775 -9.553 1.00 4.45 O ATOM 971 CB ARG A 62 11.346 0.468 -12.285 1.00 74.14 C ATOM 972 CG ARG A 62 12.553 1.303 -12.708 1.00 72.01 C ATOM 973 CD ARG A 62 12.180 2.755 -12.981 1.00 11.23 C ATOM 974 NE ARG A 62 11.107 2.872 -13.968 1.00 54.24 N ATOM 975 CZ ARG A 62 11.108 3.711 -14.965 1.00 42.24 C ATOM 976 NH1 ARG A 62 12.112 4.507 -15.161 1.00 13.33 N ATOM 977 NH2 ARG A 62 10.099 3.746 -15.772 1.00 72.21 N ATOM 0 H ARG A 62 12.378 0.263 -9.906 1.00 72.10 H new ATOM 0 HA ARG A 62 10.233 1.898 -11.118 1.00 54.12 H new ATOM 0 HB2 ARG A 62 11.657 -0.572 -12.183 1.00 74.14 H new ATOM 0 HB3 ARG A 62 10.601 0.501 -13.080 1.00 74.14 H new ATOM 0 HG2 ARG A 62 13.311 1.265 -11.926 1.00 72.01 H new ATOM 0 HG3 ARG A 62 12.997 0.869 -13.604 1.00 72.01 H new ATOM 0 HD2 ARG A 62 11.869 3.230 -12.050 1.00 11.23 H new ATOM 0 HD3 ARG A 62 13.059 3.294 -13.336 1.00 11.23 H new ATOM 0 HE ARG A 62 10.302 2.254 -13.869 1.00 54.24 H new ATOM 0 HH11 ARG A 62 12.914 4.481 -14.531 1.00 13.33 H new ATOM 0 HH12 ARG A 62 12.100 5.159 -15.945 1.00 13.33 H new ATOM 0 HH21 ARG A 62 9.308 3.119 -15.627 1.00 72.21 H new ATOM 0 HH22 ARG A 62 10.094 4.401 -16.554 1.00 72.21 H new ATOM 991 N LYS A 63 8.540 -0.219 -11.361 1.00 11.15 N ATOM 992 CA LYS A 63 7.503 -1.227 -11.085 1.00 32.00 C ATOM 993 C LYS A 63 8.065 -2.650 -11.214 1.00 35.21 C ATOM 994 O LYS A 63 8.007 -3.432 -10.267 1.00 35.44 O ATOM 995 CB LYS A 63 6.289 -1.046 -12.009 1.00 24.10 C ATOM 996 CG LYS A 63 5.379 0.110 -11.602 1.00 4.32 C ATOM 997 CD LYS A 63 4.745 -0.106 -10.221 1.00 21.43 C ATOM 998 CE LYS A 63 3.529 -1.037 -10.263 1.00 34.43 C ATOM 999 NZ LYS A 63 3.848 -2.384 -10.811 1.00 32.03 N ATOM 0 H LYS A 63 8.369 0.354 -12.187 1.00 11.15 H new ATOM 0 HA LYS A 63 7.173 -1.081 -10.057 1.00 32.00 H new ATOM 0 HB2 LYS A 63 6.640 -0.880 -13.028 1.00 24.10 H new ATOM 0 HB3 LYS A 63 5.709 -1.969 -12.018 1.00 24.10 H new ATOM 0 HG2 LYS A 63 5.953 1.036 -11.595 1.00 4.32 H new ATOM 0 HG3 LYS A 63 4.592 0.229 -12.346 1.00 4.32 H new ATOM 0 HD2 LYS A 63 5.492 -0.522 -9.545 1.00 21.43 H new ATOM 0 HD3 LYS A 63 4.445 0.858 -9.810 1.00 21.43 H new ATOM 0 HE2 LYS A 63 3.127 -1.146 -9.256 1.00 34.43 H new ATOM 0 HE3 LYS A 63 2.748 -0.579 -10.870 1.00 34.43 H new ATOM 0 HZ1 LYS A 63 3.060 -3.034 -10.615 1.00 32.03 H new ATOM 0 HZ2 LYS A 63 3.993 -2.315 -11.839 1.00 32.03 H new ATOM 0 HZ3 LYS A 63 4.714 -2.745 -10.363 1.00 32.03 H new ATOM 1013 N ARG A 64 8.639 -2.961 -12.379 1.00 61.43 N ATOM 1014 CA ARG A 64 9.250 -4.281 -12.622 1.00 11.24 C ATOM 1015 C ARG A 64 10.240 -4.668 -11.507 1.00 1.53 C ATOM 1016 O ARG A 64 10.464 -5.849 -11.236 1.00 1.52 O ATOM 1017 CB ARG A 64 9.976 -4.283 -13.975 1.00 44.32 C ATOM 1018 CG ARG A 64 11.067 -3.218 -14.091 1.00 50.33 C ATOM 1019 CD ARG A 64 11.888 -3.384 -15.363 1.00 15.32 C ATOM 1020 NE ARG A 64 12.894 -2.331 -15.514 1.00 32.34 N ATOM 1021 CZ ARG A 64 14.184 -2.533 -15.481 1.00 62.12 C ATOM 1022 NH1 ARG A 64 14.666 -3.706 -15.210 1.00 10.01 N ATOM 1023 NH2 ARG A 64 14.996 -1.547 -15.691 1.00 11.22 N ATOM 0 H ARG A 64 8.696 -2.321 -13.171 1.00 61.43 H new ATOM 0 HA ARG A 64 8.446 -5.017 -12.630 1.00 11.24 H new ATOM 0 HB2 ARG A 64 10.421 -5.265 -14.137 1.00 44.32 H new ATOM 0 HB3 ARG A 64 9.245 -4.129 -14.769 1.00 44.32 H new ATOM 0 HG2 ARG A 64 10.611 -2.228 -14.080 1.00 50.33 H new ATOM 0 HG3 ARG A 64 11.725 -3.276 -13.224 1.00 50.33 H new ATOM 0 HD2 ARG A 64 12.381 -4.356 -15.351 1.00 15.32 H new ATOM 0 HD3 ARG A 64 11.223 -3.375 -16.226 1.00 15.32 H new ATOM 0 HE ARG A 64 12.565 -1.376 -15.654 1.00 32.34 H new ATOM 0 HH11 ARG A 64 14.036 -4.485 -15.019 1.00 10.01 H new ATOM 0 HH12 ARG A 64 15.676 -3.850 -15.188 1.00 10.01 H new ATOM 0 HH21 ARG A 64 14.628 -0.615 -15.882 1.00 11.22 H new ATOM 0 HH22 ARG A 64 16.004 -1.702 -15.666 1.00 11.22 H new ATOM 1037 N GLU A 65 10.830 -3.659 -10.871 1.00 54.30 N ATOM 1038 CA GLU A 65 11.784 -3.868 -9.779 1.00 45.34 C ATOM 1039 C GLU A 65 11.054 -4.082 -8.438 1.00 51.33 C ATOM 1040 O GLU A 65 11.286 -5.063 -7.735 1.00 32.03 O ATOM 1041 CB GLU A 65 12.715 -2.647 -9.671 1.00 11.24 C ATOM 1042 CG GLU A 65 13.331 -2.203 -10.999 1.00 61.14 C ATOM 1043 CD GLU A 65 14.375 -3.167 -11.549 1.00 32.45 C ATOM 1044 OE1 GLU A 65 13.989 -4.166 -12.194 1.00 1.01 O ATOM 1045 OE2 GLU A 65 15.584 -2.915 -11.343 1.00 43.13 O ATOM 0 H GLU A 65 10.663 -2.678 -11.094 1.00 54.30 H new ATOM 0 HA GLU A 65 12.367 -4.762 -9.997 1.00 45.34 H new ATOM 0 HB2 GLU A 65 12.154 -1.814 -9.248 1.00 11.24 H new ATOM 0 HB3 GLU A 65 13.518 -2.878 -8.971 1.00 11.24 H new ATOM 0 HG2 GLU A 65 12.536 -2.085 -11.735 1.00 61.14 H new ATOM 0 HG3 GLU A 65 13.790 -1.223 -10.866 1.00 61.14 H new ATOM 1052 N ALA A 66 10.150 -3.157 -8.111 1.00 32.01 N ATOM 1053 CA ALA A 66 9.476 -3.125 -6.805 1.00 2.34 C ATOM 1054 C ALA A 66 8.596 -4.363 -6.542 1.00 53.13 C ATOM 1055 O ALA A 66 8.482 -4.821 -5.402 1.00 54.51 O ATOM 1056 CB ALA A 66 8.638 -1.855 -6.693 1.00 44.24 C ATOM 0 H ALA A 66 9.862 -2.408 -8.741 1.00 32.01 H new ATOM 0 HA ALA A 66 10.257 -3.134 -6.045 1.00 2.34 H new ATOM 0 HB1 ALA A 66 8.139 -1.833 -5.724 1.00 44.24 H new ATOM 0 HB2 ALA A 66 9.285 -0.983 -6.788 1.00 44.24 H new ATOM 0 HB3 ALA A 66 7.891 -1.841 -7.486 1.00 44.24 H new ATOM 1062 N ASP A 67 7.972 -4.899 -7.591 1.00 74.11 N ATOM 1063 CA ASP A 67 7.083 -6.064 -7.454 1.00 43.13 C ATOM 1064 C ASP A 67 7.825 -7.328 -6.960 1.00 30.15 C ATOM 1065 O ASP A 67 7.197 -8.344 -6.653 1.00 71.45 O ATOM 1066 CB ASP A 67 6.360 -6.348 -8.781 1.00 65.13 C ATOM 1067 CG ASP A 67 5.224 -5.370 -9.045 1.00 54.13 C ATOM 1068 OD1 ASP A 67 4.090 -5.635 -8.590 1.00 31.10 O ATOM 1069 OD2 ASP A 67 5.453 -4.331 -9.697 1.00 4.03 O ATOM 0 H ASP A 67 8.062 -4.550 -8.545 1.00 74.11 H new ATOM 0 HA ASP A 67 6.347 -5.812 -6.690 1.00 43.13 H new ATOM 0 HB2 ASP A 67 7.077 -6.297 -9.600 1.00 65.13 H new ATOM 0 HB3 ASP A 67 5.965 -7.364 -8.766 1.00 65.13 H new ATOM 1074 N LEU A 68 9.156 -7.269 -6.881 1.00 22.14 N ATOM 1075 CA LEU A 68 9.950 -8.415 -6.412 1.00 61.15 C ATOM 1076 C LEU A 68 10.468 -8.233 -4.970 1.00 50.12 C ATOM 1077 O LEU A 68 11.225 -9.067 -4.466 1.00 14.31 O ATOM 1078 CB LEU A 68 11.116 -8.663 -7.376 1.00 34.52 C ATOM 1079 CG LEU A 68 10.702 -8.998 -8.822 1.00 64.41 C ATOM 1080 CD1 LEU A 68 11.925 -9.282 -9.688 1.00 1.12 C ATOM 1081 CD2 LEU A 68 9.737 -10.182 -8.850 1.00 51.45 C ATOM 0 H LEU A 68 9.707 -6.448 -7.133 1.00 22.14 H new ATOM 0 HA LEU A 68 9.292 -9.284 -6.397 1.00 61.15 H new ATOM 0 HB2 LEU A 68 11.751 -7.777 -7.391 1.00 34.52 H new ATOM 0 HB3 LEU A 68 11.721 -9.482 -6.988 1.00 34.52 H new ATOM 0 HG LEU A 68 10.189 -8.129 -9.234 1.00 64.41 H new ATOM 0 HD11 LEU A 68 11.605 -9.516 -10.704 1.00 1.12 H new ATOM 0 HD12 LEU A 68 12.571 -8.404 -9.704 1.00 1.12 H new ATOM 0 HD13 LEU A 68 12.474 -10.129 -9.276 1.00 1.12 H new ATOM 0 HD21 LEU A 68 9.459 -10.400 -9.881 1.00 51.45 H new ATOM 0 HD22 LEU A 68 10.220 -11.055 -8.412 1.00 51.45 H new ATOM 0 HD23 LEU A 68 8.843 -9.936 -8.277 1.00 51.45 H new ATOM 1093 N ILE A 69 10.063 -7.152 -4.303 1.00 21.42 N ATOM 1094 CA ILE A 69 10.407 -6.940 -2.885 1.00 14.10 C ATOM 1095 C ILE A 69 9.192 -7.219 -1.978 1.00 13.24 C ATOM 1096 O ILE A 69 8.066 -6.832 -2.293 1.00 32.00 O ATOM 1097 CB ILE A 69 10.929 -5.499 -2.607 1.00 63.45 C ATOM 1098 CG1 ILE A 69 12.256 -5.224 -3.343 1.00 35.13 C ATOM 1099 CG2 ILE A 69 11.108 -5.263 -1.105 1.00 73.50 C ATOM 1100 CD1 ILE A 69 12.120 -5.035 -4.837 1.00 10.04 C ATOM 0 H ILE A 69 9.498 -6.409 -4.714 1.00 21.42 H new ATOM 0 HA ILE A 69 11.209 -7.642 -2.657 1.00 14.10 H new ATOM 0 HB ILE A 69 10.178 -4.806 -2.987 1.00 63.45 H new ATOM 0 HG12 ILE A 69 12.714 -4.331 -2.917 1.00 35.13 H new ATOM 0 HG13 ILE A 69 12.939 -6.053 -3.156 1.00 35.13 H new ATOM 0 HG21 ILE A 69 11.473 -4.250 -0.937 1.00 73.50 H new ATOM 0 HG22 ILE A 69 10.151 -5.392 -0.600 1.00 73.50 H new ATOM 0 HG23 ILE A 69 11.828 -5.979 -0.707 1.00 73.50 H new ATOM 0 HD11 ILE A 69 13.102 -4.847 -5.271 1.00 10.04 H new ATOM 0 HD12 ILE A 69 11.694 -5.935 -5.280 1.00 10.04 H new ATOM 0 HD13 ILE A 69 11.466 -4.187 -5.038 1.00 10.04 H new ATOM 1112 N GLU A 70 9.428 -7.893 -0.855 1.00 42.40 N ATOM 1113 CA GLU A 70 8.362 -8.225 0.096 1.00 63.31 C ATOM 1114 C GLU A 70 8.400 -7.285 1.319 1.00 52.02 C ATOM 1115 O GLU A 70 9.307 -7.369 2.152 1.00 72.31 O ATOM 1116 CB GLU A 70 8.514 -9.692 0.530 1.00 63.32 C ATOM 1117 CG GLU A 70 7.458 -10.191 1.516 1.00 12.30 C ATOM 1118 CD GLU A 70 6.041 -10.168 0.961 1.00 64.42 C ATOM 1119 OE1 GLU A 70 5.846 -10.535 -0.220 1.00 31.43 O ATOM 1120 OE2 GLU A 70 5.113 -9.788 1.706 1.00 73.42 O ATOM 0 H GLU A 70 10.352 -8.223 -0.577 1.00 42.40 H new ATOM 0 HA GLU A 70 7.395 -8.090 -0.389 1.00 63.31 H new ATOM 0 HB2 GLU A 70 8.485 -10.322 -0.359 1.00 63.32 H new ATOM 0 HB3 GLU A 70 9.498 -9.821 0.980 1.00 63.32 H new ATOM 0 HG2 GLU A 70 7.705 -11.210 1.814 1.00 12.30 H new ATOM 0 HG3 GLU A 70 7.496 -9.577 2.416 1.00 12.30 H new ATOM 1127 N VAL A 71 7.425 -6.376 1.413 1.00 54.13 N ATOM 1128 CA VAL A 71 7.341 -5.434 2.541 1.00 0.12 C ATOM 1129 C VAL A 71 6.076 -5.664 3.384 1.00 30.25 C ATOM 1130 O VAL A 71 5.133 -6.330 2.945 1.00 63.50 O ATOM 1131 CB VAL A 71 7.362 -3.955 2.061 1.00 54.34 C ATOM 1132 CG1 VAL A 71 8.624 -3.664 1.253 1.00 60.20 C ATOM 1133 CG2 VAL A 71 6.105 -3.610 1.257 1.00 31.03 C ATOM 0 H VAL A 71 6.681 -6.270 0.723 1.00 54.13 H new ATOM 0 HA VAL A 71 8.220 -5.623 3.157 1.00 0.12 H new ATOM 0 HB VAL A 71 7.371 -3.319 2.946 1.00 54.34 H new ATOM 0 HG11 VAL A 71 8.616 -2.624 0.928 1.00 60.20 H new ATOM 0 HG12 VAL A 71 9.502 -3.844 1.873 1.00 60.20 H new ATOM 0 HG13 VAL A 71 8.656 -4.316 0.380 1.00 60.20 H new ATOM 0 HG21 VAL A 71 6.152 -2.569 0.937 1.00 31.03 H new ATOM 0 HG22 VAL A 71 6.044 -4.256 0.381 1.00 31.03 H new ATOM 0 HG23 VAL A 71 5.223 -3.759 1.880 1.00 31.03 H new ATOM 1143 N GLU A 72 6.067 -5.112 4.597 1.00 42.11 N ATOM 1144 CA GLU A 72 4.900 -5.201 5.489 1.00 61.43 C ATOM 1145 C GLU A 72 4.576 -3.827 6.101 1.00 72.01 C ATOM 1146 O GLU A 72 5.483 -3.091 6.497 1.00 54.52 O ATOM 1147 CB GLU A 72 5.162 -6.222 6.609 1.00 41.24 C ATOM 1148 CG GLU A 72 3.896 -6.799 7.234 1.00 34.13 C ATOM 1149 CD GLU A 72 3.093 -7.640 6.249 1.00 4.45 C ATOM 1150 OE1 GLU A 72 3.401 -8.846 6.088 1.00 51.21 O ATOM 1151 OE2 GLU A 72 2.153 -7.103 5.627 1.00 74.42 O ATOM 0 H GLU A 72 6.854 -4.596 4.990 1.00 42.11 H new ATOM 0 HA GLU A 72 4.045 -5.530 4.899 1.00 61.43 H new ATOM 0 HB2 GLU A 72 5.761 -7.039 6.208 1.00 41.24 H new ATOM 0 HB3 GLU A 72 5.755 -5.745 7.389 1.00 41.24 H new ATOM 0 HG2 GLU A 72 4.165 -7.411 8.095 1.00 34.13 H new ATOM 0 HG3 GLU A 72 3.273 -5.985 7.604 1.00 34.13 H new ATOM 1158 N VAL A 73 3.290 -3.488 6.182 1.00 74.14 N ATOM 1159 CA VAL A 73 2.859 -2.194 6.731 1.00 21.20 C ATOM 1160 C VAL A 73 3.038 -2.134 8.260 1.00 71.14 C ATOM 1161 O VAL A 73 2.365 -2.849 9.010 1.00 12.05 O ATOM 1162 CB VAL A 73 1.379 -1.894 6.374 1.00 61.13 C ATOM 1163 CG1 VAL A 73 0.945 -0.542 6.942 1.00 23.34 C ATOM 1164 CG2 VAL A 73 1.171 -1.936 4.858 1.00 43.31 C ATOM 0 H VAL A 73 2.525 -4.089 5.875 1.00 74.14 H new ATOM 0 HA VAL A 73 3.496 -1.436 6.276 1.00 21.20 H new ATOM 0 HB VAL A 73 0.757 -2.666 6.827 1.00 61.13 H new ATOM 0 HG11 VAL A 73 -0.096 -0.354 6.679 1.00 23.34 H new ATOM 0 HG12 VAL A 73 1.049 -0.553 8.027 1.00 23.34 H new ATOM 0 HG13 VAL A 73 1.573 0.246 6.526 1.00 23.34 H new ATOM 0 HG21 VAL A 73 0.127 -1.723 4.628 1.00 43.31 H new ATOM 0 HG22 VAL A 73 1.807 -1.189 4.383 1.00 43.31 H new ATOM 0 HG23 VAL A 73 1.431 -2.926 4.482 1.00 43.31 H new ATOM 1174 N VAL A 74 3.943 -1.269 8.722 1.00 12.32 N ATOM 1175 CA VAL A 74 4.207 -1.128 10.157 1.00 42.23 C ATOM 1176 C VAL A 74 3.053 -0.396 10.866 1.00 71.13 C ATOM 1177 O VAL A 74 3.007 0.837 10.904 1.00 54.35 O ATOM 1178 CB VAL A 74 5.542 -0.378 10.421 1.00 2.32 C ATOM 1179 CG1 VAL A 74 5.835 -0.285 11.920 1.00 63.04 C ATOM 1180 CG2 VAL A 74 6.696 -1.058 9.687 1.00 74.54 C ATOM 0 H VAL A 74 4.503 -0.658 8.128 1.00 12.32 H new ATOM 0 HA VAL A 74 4.289 -2.136 10.564 1.00 42.23 H new ATOM 0 HB VAL A 74 5.439 0.637 10.036 1.00 2.32 H new ATOM 0 HG11 VAL A 74 6.775 0.245 12.075 1.00 63.04 H new ATOM 0 HG12 VAL A 74 5.028 0.255 12.416 1.00 63.04 H new ATOM 0 HG13 VAL A 74 5.911 -1.288 12.339 1.00 63.04 H new ATOM 0 HG21 VAL A 74 7.622 -0.518 9.885 1.00 74.54 H new ATOM 0 HG22 VAL A 74 6.794 -2.086 10.036 1.00 74.54 H new ATOM 0 HG23 VAL A 74 6.497 -1.056 8.615 1.00 74.54 H new ATOM 1190 N GLY A 75 2.117 -1.169 11.414 1.00 63.21 N ATOM 1191 CA GLY A 75 0.967 -0.589 12.105 1.00 73.03 C ATOM 1192 C GLY A 75 -0.200 -1.562 12.245 1.00 64.15 C ATOM 1193 O GLY A 75 -0.945 -1.512 13.223 1.00 73.15 O ATOM 0 H GLY A 75 2.131 -2.189 11.394 1.00 63.21 H new ATOM 0 HA2 GLY A 75 1.276 -0.256 13.096 1.00 73.03 H new ATOM 0 HA3 GLY A 75 0.632 0.295 11.562 1.00 73.03 H new ATOM 1197 N GLY A 76 -0.360 -2.448 11.260 1.00 22.22 N ATOM 1198 CA GLY A 76 -1.449 -3.428 11.288 1.00 33.40 C ATOM 1199 C GLY A 76 -2.669 -2.993 10.478 1.00 4.43 C ATOM 1200 O GLY A 76 -3.598 -3.773 10.267 1.00 60.24 O ATOM 0 H GLY A 76 0.244 -2.508 10.440 1.00 22.22 H new ATOM 0 HA2 GLY A 76 -1.084 -4.379 10.901 1.00 33.40 H new ATOM 0 HA3 GLY A 76 -1.749 -3.599 12.322 1.00 33.40 H new ATOM 1204 N GLU A 77 -2.660 -1.744 10.025 1.00 72.43 N ATOM 1205 CA GLU A 77 -3.753 -1.186 9.221 1.00 34.40 C ATOM 1206 C GLU A 77 -3.256 -0.761 7.832 1.00 51.54 C ATOM 1207 O GLU A 77 -2.201 -0.139 7.704 1.00 60.52 O ATOM 1208 CB GLU A 77 -4.385 0.008 9.956 1.00 74.12 C ATOM 1209 CG GLU A 77 -3.371 1.054 10.421 1.00 43.43 C ATOM 1210 CD GLU A 77 -4.003 2.186 11.219 1.00 34.31 C ATOM 1211 OE1 GLU A 77 -4.911 1.913 12.033 1.00 34.41 O ATOM 1212 OE2 GLU A 77 -3.588 3.354 11.041 1.00 50.33 O ATOM 0 H GLU A 77 -1.899 -1.088 10.201 1.00 72.43 H new ATOM 0 HA GLU A 77 -4.509 -1.959 9.082 1.00 34.40 H new ATOM 0 HB2 GLU A 77 -5.110 0.486 9.297 1.00 74.12 H new ATOM 0 HB3 GLU A 77 -4.936 -0.360 10.822 1.00 74.12 H new ATOM 0 HG2 GLU A 77 -2.611 0.568 11.032 1.00 43.43 H new ATOM 0 HG3 GLU A 77 -2.863 1.470 9.551 1.00 43.43 H new ATOM 1219 N LEU A 78 -4.015 -1.115 6.795 1.00 12.51 N ATOM 1220 CA LEU A 78 -3.653 -0.775 5.415 1.00 33.22 C ATOM 1221 C LEU A 78 -4.907 -0.616 4.536 1.00 74.13 C ATOM 1222 O LEU A 78 -5.892 -1.335 4.712 1.00 12.40 O ATOM 1223 CB LEU A 78 -2.711 -1.840 4.813 1.00 62.04 C ATOM 1224 CG LEU A 78 -3.300 -3.256 4.601 1.00 33.43 C ATOM 1225 CD1 LEU A 78 -2.309 -4.143 3.845 1.00 31.11 C ATOM 1226 CD2 LEU A 78 -3.677 -3.915 5.927 1.00 4.04 C ATOM 0 H LEU A 78 -4.886 -1.638 6.883 1.00 12.51 H new ATOM 0 HA LEU A 78 -3.127 0.179 5.438 1.00 33.22 H new ATOM 0 HB2 LEU A 78 -2.355 -1.473 3.850 1.00 62.04 H new ATOM 0 HB3 LEU A 78 -1.840 -1.929 5.462 1.00 62.04 H new ATOM 0 HG LEU A 78 -4.208 -3.144 4.008 1.00 33.43 H new ATOM 0 HD11 LEU A 78 -2.741 -5.134 3.706 1.00 31.11 H new ATOM 0 HD12 LEU A 78 -2.094 -3.701 2.872 1.00 31.11 H new ATOM 0 HD13 LEU A 78 -1.385 -4.227 4.418 1.00 31.11 H new ATOM 0 HD21 LEU A 78 -4.087 -4.907 5.737 1.00 4.04 H new ATOM 0 HD22 LEU A 78 -2.790 -4.003 6.555 1.00 4.04 H new ATOM 0 HD23 LEU A 78 -4.423 -3.306 6.437 1.00 4.04 H new ATOM 1238 N PRO A 79 -4.900 0.343 3.587 1.00 52.33 N ATOM 1239 CA PRO A 79 -6.048 0.576 2.690 1.00 10.44 C ATOM 1240 C PRO A 79 -6.361 -0.621 1.769 1.00 72.21 C ATOM 1241 O PRO A 79 -5.493 -1.447 1.485 1.00 53.12 O ATOM 1242 CB PRO A 79 -5.620 1.799 1.865 1.00 61.25 C ATOM 1243 CG PRO A 79 -4.131 1.829 1.963 1.00 70.44 C ATOM 1244 CD PRO A 79 -3.798 1.283 3.325 1.00 11.02 C ATOM 0 HA PRO A 79 -6.967 0.724 3.257 1.00 10.44 H new ATOM 0 HB2 PRO A 79 -5.946 1.710 0.829 1.00 61.25 H new ATOM 0 HB3 PRO A 79 -6.060 2.715 2.259 1.00 61.25 H new ATOM 0 HG2 PRO A 79 -3.675 1.226 1.178 1.00 70.44 H new ATOM 0 HG3 PRO A 79 -3.752 2.844 1.845 1.00 70.44 H new ATOM 0 HD2 PRO A 79 -2.830 0.782 3.333 1.00 11.02 H new ATOM 0 HD3 PRO A 79 -3.754 2.072 4.076 1.00 11.02 H new ATOM 1252 N LEU A 80 -7.606 -0.684 1.289 1.00 54.12 N ATOM 1253 CA LEU A 80 -8.087 -1.796 0.447 1.00 73.45 C ATOM 1254 C LEU A 80 -7.165 -2.112 -0.746 1.00 14.24 C ATOM 1255 O LEU A 80 -6.993 -3.276 -1.108 1.00 62.31 O ATOM 1256 CB LEU A 80 -9.504 -1.496 -0.060 1.00 3.21 C ATOM 1257 CG LEU A 80 -10.616 -1.605 0.995 1.00 1.30 C ATOM 1258 CD1 LEU A 80 -11.960 -1.183 0.407 1.00 20.13 C ATOM 1259 CD2 LEU A 80 -10.693 -3.030 1.545 1.00 11.21 C ATOM 0 H LEU A 80 -8.312 0.030 1.469 1.00 54.12 H new ATOM 0 HA LEU A 80 -8.088 -2.681 1.083 1.00 73.45 H new ATOM 0 HB2 LEU A 80 -9.518 -0.488 -0.476 1.00 3.21 H new ATOM 0 HB3 LEU A 80 -9.732 -2.181 -0.877 1.00 3.21 H new ATOM 0 HG LEU A 80 -10.377 -0.930 1.817 1.00 1.30 H new ATOM 0 HD11 LEU A 80 -12.734 -1.268 1.170 1.00 20.13 H new ATOM 0 HD12 LEU A 80 -11.899 -0.150 0.065 1.00 20.13 H new ATOM 0 HD13 LEU A 80 -12.208 -1.830 -0.434 1.00 20.13 H new ATOM 0 HD21 LEU A 80 -11.486 -3.090 2.291 1.00 11.21 H new ATOM 0 HD22 LEU A 80 -10.907 -3.723 0.731 1.00 11.21 H new ATOM 0 HD23 LEU A 80 -9.741 -3.294 2.005 1.00 11.21 H new ATOM 1271 N ILE A 81 -6.575 -1.086 -1.356 1.00 14.41 N ATOM 1272 CA ILE A 81 -5.666 -1.289 -2.496 1.00 32.31 C ATOM 1273 C ILE A 81 -4.455 -2.173 -2.114 1.00 64.43 C ATOM 1274 O ILE A 81 -3.881 -2.869 -2.958 1.00 33.24 O ATOM 1275 CB ILE A 81 -5.160 0.067 -3.058 1.00 35.40 C ATOM 1276 CG1 ILE A 81 -4.353 -0.140 -4.354 1.00 53.04 C ATOM 1277 CG2 ILE A 81 -4.324 0.804 -2.012 1.00 2.10 C ATOM 1278 CD1 ILE A 81 -5.152 -0.775 -5.476 1.00 33.43 C ATOM 0 H ILE A 81 -6.705 -0.111 -1.087 1.00 14.41 H new ATOM 0 HA ILE A 81 -6.240 -1.803 -3.267 1.00 32.31 H new ATOM 0 HB ILE A 81 -6.029 0.680 -3.297 1.00 35.40 H new ATOM 0 HG12 ILE A 81 -3.972 0.824 -4.692 1.00 53.04 H new ATOM 0 HG13 ILE A 81 -3.488 -0.766 -4.137 1.00 53.04 H new ATOM 0 HG21 ILE A 81 -3.978 1.752 -2.424 1.00 2.10 H new ATOM 0 HG22 ILE A 81 -4.932 0.993 -1.128 1.00 2.10 H new ATOM 0 HG23 ILE A 81 -3.464 0.193 -1.737 1.00 2.10 H new ATOM 0 HD11 ILE A 81 -4.518 -0.889 -6.355 1.00 33.43 H new ATOM 0 HD12 ILE A 81 -5.511 -1.754 -5.158 1.00 33.43 H new ATOM 0 HD13 ILE A 81 -6.002 -0.139 -5.722 1.00 33.43 H new ATOM 1290 N LEU A 82 -4.084 -2.146 -0.833 1.00 75.41 N ATOM 1291 CA LEU A 82 -2.949 -2.932 -0.325 1.00 21.33 C ATOM 1292 C LEU A 82 -3.407 -4.283 0.248 1.00 70.30 C ATOM 1293 O LEU A 82 -2.584 -5.125 0.613 1.00 54.03 O ATOM 1294 CB LEU A 82 -2.207 -2.144 0.769 1.00 2.32 C ATOM 1295 CG LEU A 82 -1.764 -0.723 0.387 1.00 42.44 C ATOM 1296 CD1 LEU A 82 -0.941 -0.090 1.506 1.00 34.44 C ATOM 1297 CD2 LEU A 82 -0.976 -0.733 -0.917 1.00 10.12 C ATOM 0 H LEU A 82 -4.554 -1.586 -0.121 1.00 75.41 H new ATOM 0 HA LEU A 82 -2.281 -3.123 -1.165 1.00 21.33 H new ATOM 0 HB2 LEU A 82 -2.853 -2.080 1.645 1.00 2.32 H new ATOM 0 HB3 LEU A 82 -1.325 -2.712 1.064 1.00 2.32 H new ATOM 0 HG LEU A 82 -2.660 -0.120 0.240 1.00 42.44 H new ATOM 0 HD11 LEU A 82 -0.639 0.915 1.212 1.00 34.44 H new ATOM 0 HD12 LEU A 82 -1.541 -0.037 2.414 1.00 34.44 H new ATOM 0 HD13 LEU A 82 -0.054 -0.695 1.692 1.00 34.44 H new ATOM 0 HD21 LEU A 82 -0.673 0.284 -1.167 1.00 10.12 H new ATOM 0 HD22 LEU A 82 -0.090 -1.358 -0.802 1.00 10.12 H new ATOM 0 HD23 LEU A 82 -1.600 -1.132 -1.716 1.00 10.12 H new ATOM 1309 N ALA A 83 -4.721 -4.485 0.319 1.00 43.05 N ATOM 1310 CA ALA A 83 -5.300 -5.669 0.964 1.00 50.21 C ATOM 1311 C ALA A 83 -4.960 -6.977 0.230 1.00 42.45 C ATOM 1312 O ALA A 83 -5.364 -7.196 -0.916 1.00 61.44 O ATOM 1313 CB ALA A 83 -6.813 -5.512 1.087 1.00 13.03 C ATOM 0 H ALA A 83 -5.412 -3.840 -0.064 1.00 43.05 H new ATOM 0 HA ALA A 83 -4.854 -5.739 1.956 1.00 50.21 H new ATOM 0 HB1 ALA A 83 -7.233 -6.396 1.567 1.00 13.03 H new ATOM 0 HB2 ALA A 83 -7.040 -4.631 1.687 1.00 13.03 H new ATOM 0 HB3 ALA A 83 -7.249 -5.397 0.095 1.00 13.03 H new ATOM 1319 N ASP A 84 -4.203 -7.838 0.908 1.00 63.24 N ATOM 1320 CA ASP A 84 -3.919 -9.195 0.425 1.00 25.05 C ATOM 1321 C ASP A 84 -5.229 -10.014 0.310 1.00 73.24 C ATOM 1322 O ASP A 84 -6.258 -9.614 0.854 1.00 21.14 O ATOM 1323 CB ASP A 84 -2.930 -9.856 1.400 1.00 33.51 C ATOM 1324 CG ASP A 84 -2.517 -11.253 0.984 1.00 64.21 C ATOM 1325 OD1 ASP A 84 -1.536 -11.382 0.224 1.00 52.14 O ATOM 1326 OD2 ASP A 84 -3.174 -12.220 1.422 1.00 21.42 O ATOM 0 H ASP A 84 -3.769 -7.619 1.805 1.00 63.24 H new ATOM 0 HA ASP A 84 -3.476 -9.157 -0.570 1.00 25.05 H new ATOM 0 HB2 ASP A 84 -2.040 -9.232 1.482 1.00 33.51 H new ATOM 0 HB3 ASP A 84 -3.382 -9.899 2.391 1.00 33.51 H new ATOM 1331 N ASP A 85 -5.188 -11.154 -0.381 1.00 64.41 N ATOM 1332 CA ASP A 85 -6.396 -11.959 -0.609 1.00 3.31 C ATOM 1333 C ASP A 85 -7.022 -12.441 0.719 1.00 72.33 C ATOM 1334 O ASP A 85 -6.383 -13.149 1.502 1.00 63.10 O ATOM 1335 CB ASP A 85 -6.070 -13.159 -1.507 1.00 75.31 C ATOM 1336 CG ASP A 85 -7.321 -13.841 -2.044 1.00 74.21 C ATOM 1337 OD1 ASP A 85 -7.872 -13.364 -3.062 1.00 12.42 O ATOM 1338 OD2 ASP A 85 -7.761 -14.850 -1.457 1.00 34.20 O ATOM 0 H ASP A 85 -4.339 -11.542 -0.792 1.00 64.41 H new ATOM 0 HA ASP A 85 -7.128 -11.324 -1.108 1.00 3.31 H new ATOM 0 HB2 ASP A 85 -5.454 -12.827 -2.343 1.00 75.31 H new ATOM 0 HB3 ASP A 85 -5.480 -13.881 -0.943 1.00 75.31 H new ATOM 1343 N GLY A 86 -8.270 -12.038 0.962 1.00 21.23 N ATOM 1344 CA GLY A 86 -8.979 -12.438 2.177 1.00 75.52 C ATOM 1345 C GLY A 86 -10.042 -11.424 2.609 1.00 11.42 C ATOM 1346 O GLY A 86 -10.388 -10.514 1.855 1.00 21.34 O ATOM 0 H GLY A 86 -8.808 -11.438 0.337 1.00 21.23 H new ATOM 0 HA2 GLY A 86 -9.453 -13.406 2.013 1.00 75.52 H new ATOM 0 HA3 GLY A 86 -8.259 -12.569 2.985 1.00 75.52 H new ATOM 1350 N THR A 87 -10.567 -11.582 3.826 1.00 0.50 N ATOM 1351 CA THR A 87 -11.571 -10.649 4.375 1.00 33.44 C ATOM 1352 C THR A 87 -10.942 -9.708 5.412 1.00 14.44 C ATOM 1353 O THR A 87 -10.093 -10.118 6.210 1.00 1.31 O ATOM 1354 CB THR A 87 -12.758 -11.409 5.017 1.00 5.41 C ATOM 1355 OG1 THR A 87 -13.401 -12.235 4.031 1.00 53.33 O ATOM 1356 CG2 THR A 87 -13.782 -10.444 5.613 1.00 44.33 C ATOM 0 H THR A 87 -10.318 -12.345 4.455 1.00 0.50 H new ATOM 0 HA THR A 87 -11.947 -10.057 3.541 1.00 33.44 H new ATOM 0 HB THR A 87 -12.361 -12.029 5.821 1.00 5.41 H new ATOM 0 HG1 THR A 87 -14.150 -12.714 4.444 1.00 53.33 H new ATOM 0 HG21 THR A 87 -14.602 -11.011 6.055 1.00 44.33 H new ATOM 0 HG22 THR A 87 -13.305 -9.836 6.382 1.00 44.33 H new ATOM 0 HG23 THR A 87 -14.171 -9.796 4.828 1.00 44.33 H new ATOM 1364 N TYR A 88 -11.353 -8.439 5.397 1.00 43.31 N ATOM 1365 CA TYR A 88 -10.745 -7.417 6.260 1.00 62.33 C ATOM 1366 C TYR A 88 -11.784 -6.611 7.054 1.00 1.22 C ATOM 1367 O TYR A 88 -12.912 -6.421 6.614 1.00 2.12 O ATOM 1368 CB TYR A 88 -9.894 -6.461 5.413 1.00 43.24 C ATOM 1369 CG TYR A 88 -8.632 -7.097 4.868 1.00 65.32 C ATOM 1370 CD1 TYR A 88 -8.690 -8.028 3.841 1.00 51.12 C ATOM 1371 CD2 TYR A 88 -7.386 -6.776 5.393 1.00 35.54 C ATOM 1372 CE1 TYR A 88 -7.549 -8.625 3.358 1.00 74.22 C ATOM 1373 CE2 TYR A 88 -6.237 -7.365 4.910 1.00 10.21 C ATOM 1374 CZ TYR A 88 -6.325 -8.290 3.894 1.00 53.21 C ATOM 1375 OH TYR A 88 -5.191 -8.891 3.416 1.00 30.21 O ATOM 0 H TYR A 88 -12.103 -8.092 4.799 1.00 43.31 H new ATOM 0 HA TYR A 88 -10.122 -7.943 6.984 1.00 62.33 H new ATOM 0 HB2 TYR A 88 -10.494 -6.093 4.581 1.00 43.24 H new ATOM 0 HB3 TYR A 88 -9.623 -5.596 6.018 1.00 43.24 H new ATOM 0 HD1 TYR A 88 -9.647 -8.288 3.414 1.00 51.12 H new ATOM 0 HD2 TYR A 88 -7.317 -6.053 6.193 1.00 35.54 H new ATOM 0 HE1 TYR A 88 -7.612 -9.353 2.563 1.00 74.22 H new ATOM 0 HE2 TYR A 88 -5.275 -7.103 5.325 1.00 10.21 H new ATOM 0 HH TYR A 88 -4.410 -8.546 3.897 1.00 30.21 H new ATOM 1385 N GLU A 89 -11.380 -6.141 8.231 1.00 2.30 N ATOM 1386 CA GLU A 89 -12.214 -5.270 9.066 1.00 1.40 C ATOM 1387 C GLU A 89 -11.782 -3.805 8.904 1.00 12.52 C ATOM 1388 O GLU A 89 -10.635 -3.460 9.190 1.00 13.41 O ATOM 1389 CB GLU A 89 -12.083 -5.681 10.539 1.00 41.53 C ATOM 1390 CG GLU A 89 -12.932 -4.850 11.496 1.00 11.10 C ATOM 1391 CD GLU A 89 -12.630 -5.157 12.954 1.00 1.51 C ATOM 1392 OE1 GLU A 89 -13.080 -6.211 13.450 1.00 24.31 O ATOM 1393 OE2 GLU A 89 -11.924 -4.355 13.603 1.00 34.12 O ATOM 0 H GLU A 89 -10.467 -6.351 8.636 1.00 2.30 H new ATOM 0 HA GLU A 89 -13.252 -5.372 8.750 1.00 1.40 H new ATOM 0 HB2 GLU A 89 -12.364 -6.730 10.639 1.00 41.53 H new ATOM 0 HB3 GLU A 89 -11.037 -5.601 10.836 1.00 41.53 H new ATOM 0 HG2 GLU A 89 -12.757 -3.791 11.307 1.00 11.10 H new ATOM 0 HG3 GLU A 89 -13.987 -5.039 11.299 1.00 11.10 H new ATOM 1400 N ILE A 90 -12.691 -2.950 8.440 1.00 1.30 N ATOM 1401 CA ILE A 90 -12.380 -1.523 8.252 1.00 71.32 C ATOM 1402 C ILE A 90 -12.161 -0.804 9.597 1.00 34.31 C ATOM 1403 O ILE A 90 -12.841 -1.088 10.589 1.00 13.44 O ATOM 1404 CB ILE A 90 -13.491 -0.797 7.448 1.00 3.13 C ATOM 1405 CG1 ILE A 90 -13.112 0.677 7.214 1.00 34.21 C ATOM 1406 CG2 ILE A 90 -14.839 -0.909 8.158 1.00 21.32 C ATOM 1407 CD1 ILE A 90 -14.130 1.449 6.404 1.00 5.21 C ATOM 0 H ILE A 90 -13.644 -3.212 8.187 1.00 1.30 H new ATOM 0 HA ILE A 90 -11.452 -1.482 7.682 1.00 71.32 H new ATOM 0 HB ILE A 90 -13.584 -1.283 6.477 1.00 3.13 H new ATOM 0 HG12 ILE A 90 -12.983 1.167 8.179 1.00 34.21 H new ATOM 0 HG13 ILE A 90 -12.149 0.718 6.704 1.00 34.21 H new ATOM 0 HG21 ILE A 90 -15.601 -0.392 7.575 1.00 21.32 H new ATOM 0 HG22 ILE A 90 -15.110 -1.960 8.260 1.00 21.32 H new ATOM 0 HG23 ILE A 90 -14.768 -0.455 9.146 1.00 21.32 H new ATOM 0 HD11 ILE A 90 -13.793 2.478 6.282 1.00 5.21 H new ATOM 0 HD12 ILE A 90 -14.243 0.985 5.424 1.00 5.21 H new ATOM 0 HD13 ILE A 90 -15.089 1.441 6.922 1.00 5.21 H new ATOM 1419 N THR A 91 -11.204 0.125 9.628 1.00 20.35 N ATOM 1420 CA THR A 91 -10.880 0.862 10.862 1.00 51.41 C ATOM 1421 C THR A 91 -11.130 2.376 10.732 1.00 13.30 C ATOM 1422 O THR A 91 -11.538 3.023 11.701 1.00 24.34 O ATOM 1423 CB THR A 91 -9.412 0.616 11.306 1.00 2.34 C ATOM 1424 OG1 THR A 91 -9.104 1.391 12.475 1.00 72.40 O ATOM 1425 CG2 THR A 91 -8.421 0.956 10.196 1.00 2.30 C ATOM 0 H THR A 91 -10.639 0.388 8.820 1.00 20.35 H new ATOM 0 HA THR A 91 -11.555 0.473 11.625 1.00 51.41 H new ATOM 0 HB THR A 91 -9.318 -0.445 11.535 1.00 2.34 H new ATOM 0 HG1 THR A 91 -8.176 1.224 12.743 1.00 72.40 H new ATOM 0 HG21 THR A 91 -7.405 0.771 10.546 1.00 2.30 H new ATOM 0 HG22 THR A 91 -8.624 0.334 9.324 1.00 2.30 H new ATOM 0 HG23 THR A 91 -8.525 2.006 9.924 1.00 2.30 H new ATOM 1433 N LYS A 92 -10.897 2.944 9.542 1.00 3.00 N ATOM 1434 CA LYS A 92 -11.074 4.394 9.334 1.00 14.20 C ATOM 1435 C LYS A 92 -11.066 4.784 7.844 1.00 71.21 C ATOM 1436 O LYS A 92 -10.663 4.002 6.978 1.00 31.01 O ATOM 1437 CB LYS A 92 -9.972 5.164 10.074 1.00 24.34 C ATOM 1438 CG LYS A 92 -8.566 4.889 9.548 1.00 14.31 C ATOM 1439 CD LYS A 92 -7.491 5.463 10.466 1.00 24.35 C ATOM 1440 CE LYS A 92 -6.087 5.159 9.953 1.00 4.42 C ATOM 1441 NZ LYS A 92 -5.043 5.589 10.918 1.00 70.23 N ATOM 0 H LYS A 92 -10.589 2.432 8.715 1.00 3.00 H new ATOM 0 HA LYS A 92 -12.053 4.658 9.734 1.00 14.20 H new ATOM 0 HB2 LYS A 92 -10.175 6.232 9.998 1.00 24.34 H new ATOM 0 HB3 LYS A 92 -10.010 4.906 11.132 1.00 24.34 H new ATOM 0 HG2 LYS A 92 -8.420 3.813 9.447 1.00 14.31 H new ATOM 0 HG3 LYS A 92 -8.461 5.320 8.552 1.00 14.31 H new ATOM 0 HD2 LYS A 92 -7.622 6.542 10.549 1.00 24.35 H new ATOM 0 HD3 LYS A 92 -7.610 5.050 11.468 1.00 24.35 H new ATOM 0 HE2 LYS A 92 -5.992 4.089 9.767 1.00 4.42 H new ATOM 0 HE3 LYS A 92 -5.931 5.664 9.000 1.00 4.42 H new ATOM 0 HZ1 LYS A 92 -4.621 6.484 10.597 1.00 70.23 H new ATOM 0 HZ2 LYS A 92 -5.472 5.725 11.856 1.00 70.23 H new ATOM 0 HZ3 LYS A 92 -4.304 4.860 10.978 1.00 70.23 H new ATOM 1455 N LEU A 93 -11.505 6.017 7.562 1.00 52.43 N ATOM 1456 CA LEU A 93 -11.548 6.556 6.192 1.00 73.04 C ATOM 1457 C LEU A 93 -10.687 7.825 6.071 1.00 72.50 C ATOM 1458 O LEU A 93 -10.384 8.480 7.071 1.00 43.44 O ATOM 1459 CB LEU A 93 -12.994 6.911 5.784 1.00 2.01 C ATOM 1460 CG LEU A 93 -14.013 5.756 5.731 1.00 14.31 C ATOM 1461 CD1 LEU A 93 -13.475 4.594 4.909 1.00 52.23 C ATOM 1462 CD2 LEU A 93 -14.413 5.299 7.132 1.00 20.25 C ATOM 0 H LEU A 93 -11.840 6.669 8.272 1.00 52.43 H new ATOM 0 HA LEU A 93 -11.157 5.782 5.532 1.00 73.04 H new ATOM 0 HB2 LEU A 93 -13.368 7.660 6.482 1.00 2.01 H new ATOM 0 HB3 LEU A 93 -12.962 7.379 4.800 1.00 2.01 H new ATOM 0 HG LEU A 93 -14.911 6.130 5.240 1.00 14.31 H new ATOM 0 HD11 LEU A 93 -14.213 3.792 4.887 1.00 52.23 H new ATOM 0 HD12 LEU A 93 -13.274 4.930 3.892 1.00 52.23 H new ATOM 0 HD13 LEU A 93 -12.553 4.227 5.359 1.00 52.23 H new ATOM 0 HD21 LEU A 93 -15.132 4.484 7.057 1.00 20.25 H new ATOM 0 HD22 LEU A 93 -13.529 4.955 7.669 1.00 20.25 H new ATOM 0 HD23 LEU A 93 -14.864 6.132 7.672 1.00 20.25 H new ATOM 1474 N ASN A 94 -10.295 8.172 4.843 1.00 53.04 N ATOM 1475 CA ASN A 94 -9.627 9.456 4.572 1.00 21.24 C ATOM 1476 C ASN A 94 -10.456 10.316 3.602 1.00 3.23 C ATOM 1477 O ASN A 94 -10.563 10.005 2.414 1.00 45.15 O ATOM 1478 CB ASN A 94 -8.221 9.240 3.998 1.00 40.24 C ATOM 1479 CG ASN A 94 -7.293 8.480 4.932 1.00 14.02 C ATOM 1480 OD1 ASN A 94 -6.345 7.847 4.489 1.00 31.31 O ATOM 1481 ND2 ASN A 94 -7.560 8.515 6.225 1.00 53.21 N ATOM 0 H ASN A 94 -10.426 7.586 4.019 1.00 53.04 H new ATOM 0 HA ASN A 94 -9.539 9.982 5.523 1.00 21.24 H new ATOM 0 HB2 ASN A 94 -8.301 8.696 3.057 1.00 40.24 H new ATOM 0 HB3 ASN A 94 -7.778 10.209 3.769 1.00 40.24 H new ATOM 0 HD21 ASN A 94 -6.969 8.006 6.882 1.00 53.21 H new ATOM 0 HD22 ASN A 94 -8.357 9.051 6.567 1.00 53.21 H new ATOM 1488 N GLY A 95 -11.040 11.396 4.114 1.00 54.32 N ATOM 1489 CA GLY A 95 -11.864 12.273 3.287 1.00 4.02 C ATOM 1490 C GLY A 95 -12.789 13.172 4.102 1.00 32.50 C ATOM 1491 O GLY A 95 -12.713 13.202 5.332 1.00 13.44 O ATOM 0 H GLY A 95 -10.959 11.683 5.089 1.00 54.32 H new ATOM 0 HA2 GLY A 95 -11.215 12.894 2.669 1.00 4.02 H new ATOM 0 HA3 GLY A 95 -12.463 11.665 2.609 1.00 4.02 H new ATOM 1495 N GLY A 96 -13.657 13.913 3.414 1.00 11.52 N ATOM 1496 CA GLY A 96 -14.587 14.817 4.087 1.00 60.34 C ATOM 1497 C GLY A 96 -16.013 14.276 4.166 1.00 70.41 C ATOM 1498 O GLY A 96 -16.248 13.080 3.974 1.00 51.44 O ATOM 0 H GLY A 96 -13.735 13.905 2.397 1.00 11.52 H new ATOM 0 HA2 GLY A 96 -14.225 15.013 5.096 1.00 60.34 H new ATOM 0 HA3 GLY A 96 -14.598 15.772 3.561 1.00 60.34 H new ATOM 1502 N ARG A 97 -16.968 15.172 4.419 1.00 30.43 N ATOM 1503 CA ARG A 97 -18.377 14.795 4.619 1.00 44.33 C ATOM 1504 C ARG A 97 -18.956 13.990 3.439 1.00 3.33 C ATOM 1505 O ARG A 97 -19.582 12.953 3.645 1.00 31.03 O ATOM 1506 CB ARG A 97 -19.230 16.050 4.870 1.00 33.40 C ATOM 1507 CG ARG A 97 -20.735 15.776 4.973 1.00 61.51 C ATOM 1508 CD ARG A 97 -21.081 14.823 6.118 1.00 72.02 C ATOM 1509 NE ARG A 97 -20.760 15.387 7.431 1.00 15.22 N ATOM 1510 CZ ARG A 97 -21.309 14.995 8.550 1.00 10.24 C ATOM 1511 NH1 ARG A 97 -22.185 14.042 8.555 1.00 45.44 N ATOM 1512 NH2 ARG A 97 -20.974 15.561 9.664 1.00 2.40 N ATOM 0 H ARG A 97 -16.793 16.174 4.492 1.00 30.43 H new ATOM 0 HA ARG A 97 -18.409 14.144 5.493 1.00 44.33 H new ATOM 0 HB2 ARG A 97 -18.895 16.525 5.792 1.00 33.40 H new ATOM 0 HB3 ARG A 97 -19.056 16.762 4.063 1.00 33.40 H new ATOM 0 HG2 ARG A 97 -21.263 16.718 5.117 1.00 61.51 H new ATOM 0 HG3 ARG A 97 -21.089 15.353 4.033 1.00 61.51 H new ATOM 0 HD2 ARG A 97 -22.144 14.583 6.079 1.00 72.02 H new ATOM 0 HD3 ARG A 97 -20.538 13.887 5.985 1.00 72.02 H new ATOM 0 HE ARG A 97 -20.065 16.132 7.475 1.00 15.22 H new ATOM 0 HH11 ARG A 97 -22.452 13.590 7.680 1.00 45.44 H new ATOM 0 HH12 ARG A 97 -22.608 13.743 9.434 1.00 45.44 H new ATOM 0 HH21 ARG A 97 -20.283 16.311 9.667 1.00 2.40 H new ATOM 0 HH22 ARG A 97 -21.401 15.257 10.539 1.00 2.40 H new ATOM 1526 N ARG A 98 -18.755 14.465 2.211 1.00 42.12 N ATOM 1527 CA ARG A 98 -19.307 13.786 1.029 1.00 74.00 C ATOM 1528 C ARG A 98 -18.646 12.414 0.817 1.00 61.43 C ATOM 1529 O ARG A 98 -19.306 11.449 0.430 1.00 2.22 O ATOM 1530 CB ARG A 98 -19.156 14.656 -0.232 1.00 1.13 C ATOM 1531 CG ARG A 98 -20.118 15.845 -0.296 1.00 22.13 C ATOM 1532 CD ARG A 98 -19.835 16.891 0.779 1.00 74.11 C ATOM 1533 NE ARG A 98 -18.514 17.500 0.622 1.00 11.14 N ATOM 1534 CZ ARG A 98 -18.066 18.486 1.352 1.00 52.24 C ATOM 1535 NH1 ARG A 98 -18.783 18.978 2.312 1.00 75.25 N ATOM 1536 NH2 ARG A 98 -16.892 18.977 1.116 1.00 35.32 N ATOM 0 H ARG A 98 -18.220 15.309 2.004 1.00 42.12 H new ATOM 0 HA ARG A 98 -20.370 13.628 1.209 1.00 74.00 H new ATOM 0 HB2 ARG A 98 -18.133 15.028 -0.282 1.00 1.13 H new ATOM 0 HB3 ARG A 98 -19.311 14.031 -1.111 1.00 1.13 H new ATOM 0 HG2 ARG A 98 -20.047 16.312 -1.279 1.00 22.13 H new ATOM 0 HG3 ARG A 98 -21.141 15.485 -0.187 1.00 22.13 H new ATOM 0 HD2 ARG A 98 -20.599 17.668 0.738 1.00 74.11 H new ATOM 0 HD3 ARG A 98 -19.905 16.427 1.763 1.00 74.11 H new ATOM 0 HE ARG A 98 -17.902 17.130 -0.106 1.00 11.14 H new ATOM 0 HH11 ARG A 98 -19.709 18.595 2.505 1.00 75.25 H new ATOM 0 HH12 ARG A 98 -18.422 19.748 2.875 1.00 75.25 H new ATOM 0 HH21 ARG A 98 -16.321 18.594 0.363 1.00 35.32 H new ATOM 0 HH22 ARG A 98 -16.538 19.747 1.683 1.00 35.32 H new ATOM 1550 N PHE A 99 -17.344 12.336 1.081 1.00 11.32 N ATOM 1551 CA PHE A 99 -16.613 11.066 1.013 1.00 11.21 C ATOM 1552 C PHE A 99 -17.208 10.049 2.002 1.00 31.24 C ATOM 1553 O PHE A 99 -17.615 8.951 1.621 1.00 33.52 O ATOM 1554 CB PHE A 99 -15.127 11.305 1.324 1.00 53.43 C ATOM 1555 CG PHE A 99 -14.266 10.064 1.262 1.00 64.01 C ATOM 1556 CD1 PHE A 99 -14.075 9.271 2.387 1.00 32.10 C ATOM 1557 CD2 PHE A 99 -13.641 9.696 0.077 1.00 61.23 C ATOM 1558 CE1 PHE A 99 -13.283 8.140 2.328 1.00 20.02 C ATOM 1559 CE2 PHE A 99 -12.848 8.565 0.016 1.00 4.14 C ATOM 1560 CZ PHE A 99 -12.669 7.787 1.143 1.00 31.03 C ATOM 0 H PHE A 99 -16.770 13.137 1.345 1.00 11.32 H new ATOM 0 HA PHE A 99 -16.705 10.659 0.006 1.00 11.21 H new ATOM 0 HB2 PHE A 99 -14.735 12.039 0.620 1.00 53.43 H new ATOM 0 HB3 PHE A 99 -15.043 11.741 2.319 1.00 53.43 H new ATOM 0 HD1 PHE A 99 -14.551 9.542 3.318 1.00 32.10 H new ATOM 0 HD2 PHE A 99 -13.776 10.301 -0.807 1.00 61.23 H new ATOM 0 HE1 PHE A 99 -13.144 7.532 3.210 1.00 20.02 H new ATOM 0 HE2 PHE A 99 -12.369 8.290 -0.912 1.00 4.14 H new ATOM 0 HZ PHE A 99 -12.049 6.904 1.097 1.00 31.03 H new ATOM 1570 N LEU A 100 -17.276 10.441 3.273 1.00 70.15 N ATOM 1571 CA LEU A 100 -17.852 9.591 4.319 1.00 22.20 C ATOM 1572 C LEU A 100 -19.310 9.220 3.997 1.00 10.11 C ATOM 1573 O LEU A 100 -19.728 8.078 4.196 1.00 42.44 O ATOM 1574 CB LEU A 100 -17.781 10.313 5.673 1.00 64.33 C ATOM 1575 CG LEU A 100 -16.364 10.684 6.147 1.00 32.54 C ATOM 1576 CD1 LEU A 100 -16.415 11.473 7.453 1.00 31.15 C ATOM 1577 CD2 LEU A 100 -15.506 9.431 6.307 1.00 3.03 C ATOM 0 H LEU A 100 -16.939 11.344 3.606 1.00 70.15 H new ATOM 0 HA LEU A 100 -17.272 8.669 4.366 1.00 22.20 H new ATOM 0 HB2 LEU A 100 -18.376 11.224 5.612 1.00 64.33 H new ATOM 0 HB3 LEU A 100 -18.245 9.679 6.429 1.00 64.33 H new ATOM 0 HG LEU A 100 -15.908 11.318 5.387 1.00 32.54 H new ATOM 0 HD11 LEU A 100 -15.402 11.723 7.767 1.00 31.15 H new ATOM 0 HD12 LEU A 100 -16.985 12.390 7.302 1.00 31.15 H new ATOM 0 HD13 LEU A 100 -16.895 10.870 8.224 1.00 31.15 H new ATOM 0 HD21 LEU A 100 -14.508 9.714 6.643 1.00 3.03 H new ATOM 0 HD22 LEU A 100 -15.962 8.769 7.043 1.00 3.03 H new ATOM 0 HD23 LEU A 100 -15.434 8.915 5.350 1.00 3.03 H new ATOM 1589 N PHE A 101 -20.065 10.196 3.494 1.00 4.50 N ATOM 1590 CA PHE A 101 -21.472 9.998 3.122 1.00 55.11 C ATOM 1591 C PHE A 101 -21.641 8.865 2.093 1.00 22.13 C ATOM 1592 O PHE A 101 -22.437 7.943 2.295 1.00 43.14 O ATOM 1593 CB PHE A 101 -22.044 11.308 2.559 1.00 22.12 C ATOM 1594 CG PHE A 101 -23.441 11.184 2.003 1.00 54.31 C ATOM 1595 CD1 PHE A 101 -24.531 11.080 2.852 1.00 64.23 C ATOM 1596 CD2 PHE A 101 -23.660 11.169 0.632 1.00 41.23 C ATOM 1597 CE1 PHE A 101 -25.811 10.964 2.346 1.00 23.15 C ATOM 1598 CE2 PHE A 101 -24.939 11.053 0.123 1.00 11.44 C ATOM 1599 CZ PHE A 101 -26.014 10.951 0.980 1.00 13.31 C ATOM 0 H PHE A 101 -19.724 11.143 3.332 1.00 4.50 H new ATOM 0 HA PHE A 101 -22.019 9.709 4.020 1.00 55.11 H new ATOM 0 HB2 PHE A 101 -22.044 12.060 3.348 1.00 22.12 H new ATOM 0 HB3 PHE A 101 -21.383 11.672 1.772 1.00 22.12 H new ATOM 0 HD1 PHE A 101 -24.378 11.090 3.921 1.00 64.23 H new ATOM 0 HD2 PHE A 101 -22.821 11.249 -0.044 1.00 41.23 H new ATOM 0 HE1 PHE A 101 -26.653 10.884 3.018 1.00 23.15 H new ATOM 0 HE2 PHE A 101 -25.097 11.042 -0.945 1.00 11.44 H new ATOM 0 HZ PHE A 101 -27.014 10.861 0.583 1.00 13.31 H new ATOM 1609 N ARG A 102 -20.890 8.930 0.996 1.00 24.02 N ATOM 1610 CA ARG A 102 -20.973 7.905 -0.050 1.00 21.22 C ATOM 1611 C ARG A 102 -20.559 6.528 0.491 1.00 4.45 C ATOM 1612 O ARG A 102 -21.247 5.530 0.269 1.00 5.43 O ATOM 1613 CB ARG A 102 -20.113 8.293 -1.261 1.00 53.12 C ATOM 1614 CG ARG A 102 -20.537 9.612 -1.901 1.00 71.10 C ATOM 1615 CD ARG A 102 -19.775 9.903 -3.191 1.00 3.11 C ATOM 1616 NE ARG A 102 -20.045 8.904 -4.230 1.00 41.52 N ATOM 1617 CZ ARG A 102 -20.871 9.087 -5.230 1.00 72.34 C ATOM 1618 NH1 ARG A 102 -21.556 10.183 -5.330 1.00 65.14 N ATOM 1619 NH2 ARG A 102 -21.023 8.160 -6.120 1.00 2.31 N ATOM 0 H ARG A 102 -20.220 9.675 0.806 1.00 24.02 H new ATOM 0 HA ARG A 102 -22.012 7.840 -0.374 1.00 21.22 H new ATOM 0 HB2 ARG A 102 -19.071 8.366 -0.950 1.00 53.12 H new ATOM 0 HB3 ARG A 102 -20.168 7.500 -2.007 1.00 53.12 H new ATOM 0 HG2 ARG A 102 -21.606 9.583 -2.112 1.00 71.10 H new ATOM 0 HG3 ARG A 102 -20.373 10.425 -1.194 1.00 71.10 H new ATOM 0 HD2 ARG A 102 -20.051 10.891 -3.559 1.00 3.11 H new ATOM 0 HD3 ARG A 102 -18.706 9.928 -2.982 1.00 3.11 H new ATOM 0 HE ARG A 102 -19.559 8.009 -4.170 1.00 41.52 H new ATOM 0 HH11 ARG A 102 -21.455 10.914 -4.626 1.00 65.14 H new ATOM 0 HH12 ARG A 102 -22.196 10.315 -6.113 1.00 65.14 H new ATOM 0 HH21 ARG A 102 -20.500 7.288 -6.042 1.00 2.31 H new ATOM 0 HH22 ARG A 102 -21.666 8.301 -6.899 1.00 2.31 H new ATOM 1633 N MET A 103 -19.447 6.483 1.219 1.00 41.24 N ATOM 1634 CA MET A 103 -18.983 5.242 1.852 1.00 41.24 C ATOM 1635 C MET A 103 -20.013 4.686 2.850 1.00 41.42 C ATOM 1636 O MET A 103 -20.097 3.474 3.057 1.00 1.15 O ATOM 1637 CB MET A 103 -17.628 5.482 2.529 1.00 41.33 C ATOM 1638 CG MET A 103 -16.480 5.589 1.533 1.00 52.40 C ATOM 1639 SD MET A 103 -16.855 6.705 0.165 1.00 34.12 S ATOM 1640 CE MET A 103 -15.446 6.434 -0.908 1.00 54.22 C ATOM 0 H MET A 103 -18.847 7.290 1.388 1.00 41.24 H new ATOM 0 HA MET A 103 -18.863 4.487 1.075 1.00 41.24 H new ATOM 0 HB2 MET A 103 -17.679 6.398 3.118 1.00 41.33 H new ATOM 0 HB3 MET A 103 -17.425 4.667 3.224 1.00 41.33 H new ATOM 0 HG2 MET A 103 -15.586 5.940 2.049 1.00 52.40 H new ATOM 0 HG3 MET A 103 -16.252 4.599 1.138 1.00 52.40 H new ATOM 0 HE1 MET A 103 -15.102 7.389 -1.305 1.00 54.22 H new ATOM 0 HE2 MET A 103 -14.641 5.966 -0.341 1.00 54.22 H new ATOM 0 HE3 MET A 103 -15.736 5.782 -1.732 1.00 54.22 H new ATOM 1650 N LYS A 104 -20.811 5.564 3.452 1.00 23.53 N ATOM 1651 CA LYS A 104 -21.919 5.132 4.313 1.00 10.34 C ATOM 1652 C LYS A 104 -23.040 4.482 3.487 1.00 22.45 C ATOM 1653 O LYS A 104 -23.721 3.568 3.953 1.00 43.42 O ATOM 1654 CB LYS A 104 -22.474 6.316 5.115 1.00 54.23 C ATOM 1655 CG LYS A 104 -21.588 6.739 6.284 1.00 31.22 C ATOM 1656 CD LYS A 104 -22.150 7.957 7.011 1.00 34.03 C ATOM 1657 CE LYS A 104 -21.399 8.237 8.306 1.00 23.14 C ATOM 1658 NZ LYS A 104 -19.949 8.481 8.081 1.00 64.31 N ATOM 0 H LYS A 104 -20.716 6.576 3.363 1.00 23.53 H new ATOM 0 HA LYS A 104 -21.530 4.388 5.008 1.00 10.34 H new ATOM 0 HB2 LYS A 104 -22.606 7.166 4.446 1.00 54.23 H new ATOM 0 HB3 LYS A 104 -23.461 6.054 5.496 1.00 54.23 H new ATOM 0 HG2 LYS A 104 -21.492 5.910 6.985 1.00 31.22 H new ATOM 0 HG3 LYS A 104 -20.587 6.965 5.918 1.00 31.22 H new ATOM 0 HD2 LYS A 104 -22.090 8.829 6.360 1.00 34.03 H new ATOM 0 HD3 LYS A 104 -23.205 7.795 7.230 1.00 34.03 H new ATOM 0 HE2 LYS A 104 -21.839 9.105 8.797 1.00 23.14 H new ATOM 0 HE3 LYS A 104 -21.521 7.392 8.983 1.00 23.14 H new ATOM 0 HZ1 LYS A 104 -19.396 7.724 8.530 1.00 64.31 H new ATOM 0 HZ2 LYS A 104 -19.753 8.494 7.060 1.00 64.31 H new ATOM 0 HZ3 LYS A 104 -19.683 9.397 8.496 1.00 64.31 H new ATOM 1672 N ASN A 105 -23.226 4.961 2.258 1.00 75.42 N ATOM 1673 CA ASN A 105 -24.211 4.376 1.339 1.00 1.35 C ATOM 1674 C ASN A 105 -23.741 3.007 0.814 1.00 73.04 C ATOM 1675 O ASN A 105 -24.560 2.140 0.497 1.00 0.05 O ATOM 1676 CB ASN A 105 -24.490 5.338 0.176 1.00 35.10 C ATOM 1677 CG ASN A 105 -25.098 6.648 0.652 1.00 70.02 C ATOM 1678 OD1 ASN A 105 -25.785 6.697 1.668 1.00 73.31 O ATOM 1679 ND2 ASN A 105 -24.863 7.715 -0.081 1.00 3.22 N ATOM 0 H ASN A 105 -22.710 5.752 1.872 1.00 75.42 H new ATOM 0 HA ASN A 105 -25.138 4.217 1.891 1.00 1.35 H new ATOM 0 HB2 ASN A 105 -23.561 5.542 -0.356 1.00 35.10 H new ATOM 0 HB3 ASN A 105 -25.166 4.862 -0.534 1.00 35.10 H new ATOM 0 HD21 ASN A 105 -25.256 8.616 0.190 1.00 3.22 H new ATOM 0 HD22 ASN A 105 -24.288 7.641 -0.920 1.00 3.22 H new ATOM 1686 N LEU A 106 -22.423 2.820 0.712 1.00 54.44 N ATOM 1687 CA LEU A 106 -21.848 1.507 0.379 1.00 40.42 C ATOM 1688 C LEU A 106 -21.834 0.587 1.614 1.00 12.34 C ATOM 1689 O LEU A 106 -21.977 -0.631 1.495 1.00 52.14 O ATOM 1690 CB LEU A 106 -20.424 1.660 -0.187 1.00 23.41 C ATOM 1691 CG LEU A 106 -20.316 2.062 -1.675 1.00 54.31 C ATOM 1692 CD1 LEU A 106 -20.954 1.004 -2.573 1.00 74.40 C ATOM 1693 CD2 LEU A 106 -20.942 3.431 -1.931 1.00 11.22 C ATOM 0 H LEU A 106 -21.732 3.557 0.854 1.00 54.44 H new ATOM 0 HA LEU A 106 -22.477 1.051 -0.386 1.00 40.42 H new ATOM 0 HB2 LEU A 106 -19.898 2.407 0.408 1.00 23.41 H new ATOM 0 HB3 LEU A 106 -19.898 0.715 -0.049 1.00 23.41 H new ATOM 0 HG LEU A 106 -19.256 2.129 -1.920 1.00 54.31 H new ATOM 0 HD11 LEU A 106 -20.865 1.310 -3.615 1.00 74.40 H new ATOM 0 HD12 LEU A 106 -20.445 0.051 -2.430 1.00 74.40 H new ATOM 0 HD13 LEU A 106 -22.008 0.895 -2.315 1.00 74.40 H new ATOM 0 HD21 LEU A 106 -20.848 3.682 -2.988 1.00 11.22 H new ATOM 0 HD22 LEU A 106 -21.996 3.406 -1.656 1.00 11.22 H new ATOM 0 HD23 LEU A 106 -20.429 4.183 -1.332 1.00 11.22 H new ATOM 1705 N GLY A 107 -21.661 1.178 2.799 1.00 53.32 N ATOM 1706 CA GLY A 107 -21.773 0.423 4.047 1.00 0.35 C ATOM 1707 C GLY A 107 -20.455 0.208 4.793 1.00 73.14 C ATOM 1708 O GLY A 107 -20.326 -0.755 5.553 1.00 44.10 O ATOM 0 H GLY A 107 -21.445 2.168 2.919 1.00 53.32 H new ATOM 0 HA2 GLY A 107 -22.466 0.943 4.708 1.00 0.35 H new ATOM 0 HA3 GLY A 107 -22.212 -0.550 3.827 1.00 0.35 H new ATOM 1712 N ILE A 108 -19.477 1.101 4.605 1.00 73.22 N ATOM 1713 CA ILE A 108 -18.187 0.980 5.304 1.00 14.12 C ATOM 1714 C ILE A 108 -17.880 2.207 6.186 1.00 2.20 C ATOM 1715 O ILE A 108 -17.778 3.338 5.704 1.00 73.23 O ATOM 1716 CB ILE A 108 -16.990 0.723 4.335 1.00 44.52 C ATOM 1717 CG1 ILE A 108 -16.880 1.804 3.237 1.00 62.21 C ATOM 1718 CG2 ILE A 108 -17.092 -0.667 3.711 1.00 23.34 C ATOM 1719 CD1 ILE A 108 -17.819 1.608 2.062 1.00 63.22 C ATOM 0 H ILE A 108 -19.549 1.907 3.984 1.00 73.22 H new ATOM 0 HA ILE A 108 -18.297 0.106 5.946 1.00 14.12 H new ATOM 0 HB ILE A 108 -16.079 0.778 4.931 1.00 44.52 H new ATOM 0 HG12 ILE A 108 -17.077 2.779 3.684 1.00 62.21 H new ATOM 0 HG13 ILE A 108 -15.855 1.824 2.867 1.00 62.21 H new ATOM 0 HG21 ILE A 108 -16.249 -0.827 3.039 1.00 23.34 H new ATOM 0 HG22 ILE A 108 -17.077 -1.421 4.498 1.00 23.34 H new ATOM 0 HG23 ILE A 108 -18.023 -0.747 3.150 1.00 23.34 H new ATOM 0 HD11 ILE A 108 -17.673 2.412 1.341 1.00 63.22 H new ATOM 0 HD12 ILE A 108 -17.610 0.651 1.585 1.00 63.22 H new ATOM 0 HD13 ILE A 108 -18.850 1.620 2.415 1.00 63.22 H new ATOM 1731 N GLU A 109 -17.750 1.960 7.492 1.00 15.41 N ATOM 1732 CA GLU A 109 -17.358 2.993 8.466 1.00 34.12 C ATOM 1733 C GLU A 109 -16.234 2.478 9.382 1.00 71.13 C ATOM 1734 O GLU A 109 -15.077 2.883 9.267 1.00 51.14 O ATOM 1735 CB GLU A 109 -18.560 3.417 9.330 1.00 64.22 C ATOM 1736 CG GLU A 109 -19.705 4.066 8.556 1.00 54.51 C ATOM 1737 CD GLU A 109 -20.829 4.538 9.467 1.00 43.42 C ATOM 1738 OE1 GLU A 109 -20.658 5.574 10.142 1.00 21.02 O ATOM 1739 OE2 GLU A 109 -21.880 3.867 9.528 1.00 74.23 O ATOM 0 H GLU A 109 -17.912 1.043 7.907 1.00 15.41 H new ATOM 0 HA GLU A 109 -16.999 3.856 7.905 1.00 34.12 H new ATOM 0 HB2 GLU A 109 -18.943 2.540 9.851 1.00 64.22 H new ATOM 0 HB3 GLU A 109 -18.214 4.115 10.093 1.00 64.22 H new ATOM 0 HG2 GLU A 109 -19.321 4.914 7.988 1.00 54.51 H new ATOM 0 HG3 GLU A 109 -20.102 3.352 7.834 1.00 54.51 H new ATOM 1746 N SER A 110 -16.593 1.574 10.294 1.00 40.41 N ATOM 1747 CA SER A 110 -15.628 0.969 11.221 1.00 61.54 C ATOM 1748 C SER A 110 -16.196 -0.322 11.822 1.00 70.03 C ATOM 1749 O SER A 110 -17.381 -0.399 12.142 1.00 11.01 O ATOM 1750 CB SER A 110 -15.267 1.953 12.343 1.00 33.21 C ATOM 1751 OG SER A 110 -16.419 2.355 13.068 1.00 25.11 O ATOM 0 H SER A 110 -17.550 1.241 10.413 1.00 40.41 H new ATOM 0 HA SER A 110 -14.724 0.729 10.661 1.00 61.54 H new ATOM 0 HB2 SER A 110 -14.552 1.488 13.021 1.00 33.21 H new ATOM 0 HB3 SER A 110 -14.779 2.830 11.917 1.00 33.21 H new ATOM 0 HG SER A 110 -16.158 2.980 13.777 1.00 25.11 H new ATOM 1757 N GLY A 111 -15.355 -1.345 11.949 1.00 61.33 N ATOM 1758 CA GLY A 111 -15.804 -2.627 12.494 1.00 40.33 C ATOM 1759 C GLY A 111 -16.580 -3.478 11.486 1.00 23.40 C ATOM 1760 O GLY A 111 -17.138 -4.518 11.842 1.00 25.11 O ATOM 0 H GLY A 111 -14.370 -1.315 11.686 1.00 61.33 H new ATOM 0 HA2 GLY A 111 -14.937 -3.189 12.842 1.00 40.33 H new ATOM 0 HA3 GLY A 111 -16.434 -2.443 13.364 1.00 40.33 H new ATOM 1764 N LYS A 112 -16.617 -3.037 10.230 1.00 51.31 N ATOM 1765 CA LYS A 112 -17.314 -3.769 9.159 1.00 63.23 C ATOM 1766 C LYS A 112 -16.358 -4.755 8.466 1.00 11.44 C ATOM 1767 O LYS A 112 -15.216 -4.406 8.160 1.00 5.43 O ATOM 1768 CB LYS A 112 -17.875 -2.785 8.118 1.00 43.13 C ATOM 1769 CG LYS A 112 -18.776 -1.689 8.690 1.00 12.20 C ATOM 1770 CD LYS A 112 -20.061 -2.253 9.298 1.00 33.55 C ATOM 1771 CE LYS A 112 -21.023 -1.142 9.719 1.00 1.53 C ATOM 1772 NZ LYS A 112 -22.284 -1.681 10.297 1.00 73.01 N ATOM 0 H LYS A 112 -16.172 -2.173 9.922 1.00 51.31 H new ATOM 0 HA LYS A 112 -18.135 -4.327 9.609 1.00 63.23 H new ATOM 0 HB2 LYS A 112 -17.041 -2.315 7.597 1.00 43.13 H new ATOM 0 HB3 LYS A 112 -18.439 -3.348 7.374 1.00 43.13 H new ATOM 0 HG2 LYS A 112 -18.229 -1.133 9.452 1.00 12.20 H new ATOM 0 HG3 LYS A 112 -19.030 -0.982 7.901 1.00 12.20 H new ATOM 0 HD2 LYS A 112 -20.551 -2.904 8.574 1.00 33.55 H new ATOM 0 HD3 LYS A 112 -19.815 -2.868 10.163 1.00 33.55 H new ATOM 0 HE2 LYS A 112 -20.535 -0.499 10.452 1.00 1.53 H new ATOM 0 HE3 LYS A 112 -21.258 -0.520 8.855 1.00 1.53 H new ATOM 0 HZ1 LYS A 112 -22.906 -0.893 10.568 1.00 73.01 H new ATOM 0 HZ2 LYS A 112 -22.764 -2.274 9.590 1.00 73.01 H new ATOM 0 HZ3 LYS A 112 -22.064 -2.253 11.137 1.00 73.01 H new ATOM 1786 N LYS A 113 -16.827 -5.979 8.217 1.00 44.40 N ATOM 1787 CA LYS A 113 -16.014 -7.001 7.539 1.00 20.35 C ATOM 1788 C LYS A 113 -16.255 -6.997 6.020 1.00 12.24 C ATOM 1789 O LYS A 113 -17.302 -7.439 5.539 1.00 33.24 O ATOM 1790 CB LYS A 113 -16.294 -8.401 8.117 1.00 62.22 C ATOM 1791 CG LYS A 113 -15.526 -8.717 9.402 1.00 75.23 C ATOM 1792 CD LYS A 113 -15.926 -7.816 10.569 1.00 22.12 C ATOM 1793 CE LYS A 113 -15.095 -8.108 11.813 1.00 31.30 C ATOM 1794 NZ LYS A 113 -15.247 -9.514 12.279 1.00 44.33 N ATOM 0 H LYS A 113 -17.764 -6.290 8.473 1.00 44.40 H new ATOM 0 HA LYS A 113 -14.968 -6.752 7.717 1.00 20.35 H new ATOM 0 HB2 LYS A 113 -17.362 -8.493 8.314 1.00 62.22 H new ATOM 0 HB3 LYS A 113 -16.043 -9.149 7.365 1.00 62.22 H new ATOM 0 HG2 LYS A 113 -15.699 -9.758 9.677 1.00 75.23 H new ATOM 0 HG3 LYS A 113 -14.457 -8.610 9.216 1.00 75.23 H new ATOM 0 HD2 LYS A 113 -15.800 -6.772 10.283 1.00 22.12 H new ATOM 0 HD3 LYS A 113 -16.983 -7.959 10.795 1.00 22.12 H new ATOM 0 HE2 LYS A 113 -14.045 -7.910 11.600 1.00 31.30 H new ATOM 0 HE3 LYS A 113 -15.391 -7.429 12.612 1.00 31.30 H new ATOM 0 HZ1 LYS A 113 -14.804 -9.620 13.214 1.00 44.33 H new ATOM 0 HZ2 LYS A 113 -16.258 -9.750 12.346 1.00 44.33 H new ATOM 0 HZ3 LYS A 113 -14.786 -10.156 11.603 1.00 44.33 H new ATOM 1808 N ILE A 114 -15.270 -6.501 5.274 1.00 52.10 N ATOM 1809 CA ILE A 114 -15.353 -6.408 3.812 1.00 10.33 C ATOM 1810 C ILE A 114 -14.555 -7.531 3.119 1.00 1.50 C ATOM 1811 O ILE A 114 -13.407 -7.815 3.474 1.00 22.01 O ATOM 1812 CB ILE A 114 -14.857 -5.017 3.326 1.00 73.33 C ATOM 1813 CG1 ILE A 114 -15.046 -4.863 1.806 1.00 73.44 C ATOM 1814 CG2 ILE A 114 -13.397 -4.783 3.719 1.00 62.33 C ATOM 1815 CD1 ILE A 114 -14.724 -3.474 1.294 1.00 20.44 C ATOM 0 H ILE A 114 -14.393 -6.152 5.661 1.00 52.10 H new ATOM 0 HA ILE A 114 -16.401 -6.529 3.537 1.00 10.33 H new ATOM 0 HB ILE A 114 -15.463 -4.258 3.820 1.00 73.33 H new ATOM 0 HG12 ILE A 114 -14.411 -5.586 1.294 1.00 73.44 H new ATOM 0 HG13 ILE A 114 -16.077 -5.106 1.550 1.00 73.44 H new ATOM 0 HG21 ILE A 114 -13.078 -3.802 3.366 1.00 62.33 H new ATOM 0 HG22 ILE A 114 -13.301 -4.827 4.804 1.00 62.33 H new ATOM 0 HG23 ILE A 114 -12.771 -5.553 3.268 1.00 62.33 H new ATOM 0 HD11 ILE A 114 -14.879 -3.439 0.216 1.00 20.44 H new ATOM 0 HD12 ILE A 114 -15.376 -2.747 1.779 1.00 20.44 H new ATOM 0 HD13 ILE A 114 -13.684 -3.235 1.519 1.00 20.44 H new ATOM 1827 N GLN A 115 -15.186 -8.181 2.146 1.00 74.41 N ATOM 1828 CA GLN A 115 -14.559 -9.266 1.381 1.00 4.12 C ATOM 1829 C GLN A 115 -13.690 -8.709 0.238 1.00 11.04 C ATOM 1830 O GLN A 115 -14.152 -7.894 -0.563 1.00 32.34 O ATOM 1831 CB GLN A 115 -15.634 -10.204 0.792 1.00 4.13 C ATOM 1832 CG GLN A 115 -16.491 -10.949 1.819 1.00 24.41 C ATOM 1833 CD GLN A 115 -17.389 -10.037 2.645 1.00 2.34 C ATOM 1834 OE1 GLN A 115 -18.512 -9.723 2.256 1.00 4.24 O ATOM 1835 NE2 GLN A 115 -16.909 -9.619 3.800 1.00 15.52 N ATOM 0 H GLN A 115 -16.144 -7.975 1.862 1.00 74.41 H new ATOM 0 HA GLN A 115 -13.923 -9.826 2.066 1.00 4.12 H new ATOM 0 HB2 GLN A 115 -16.293 -9.617 0.152 1.00 4.13 H new ATOM 0 HB3 GLN A 115 -15.141 -10.938 0.154 1.00 4.13 H new ATOM 0 HG2 GLN A 115 -17.110 -11.681 1.300 1.00 24.41 H new ATOM 0 HG3 GLN A 115 -15.836 -11.505 2.491 1.00 24.41 H new ATOM 0 HE21 GLN A 115 -15.973 -9.898 4.094 1.00 15.52 H new ATOM 0 HE22 GLN A 115 -17.474 -9.017 4.399 1.00 15.52 H new ATOM 1844 N VAL A 116 -12.437 -9.156 0.163 1.00 3.52 N ATOM 1845 CA VAL A 116 -11.519 -8.723 -0.901 1.00 71.41 C ATOM 1846 C VAL A 116 -11.242 -9.864 -1.898 1.00 14.12 C ATOM 1847 O VAL A 116 -10.919 -10.989 -1.499 1.00 3.33 O ATOM 1848 CB VAL A 116 -10.173 -8.222 -0.316 1.00 4.00 C ATOM 1849 CG1 VAL A 116 -9.240 -7.736 -1.427 1.00 54.44 C ATOM 1850 CG2 VAL A 116 -10.414 -7.120 0.715 1.00 33.12 C ATOM 0 H VAL A 116 -12.030 -9.818 0.824 1.00 3.52 H new ATOM 0 HA VAL A 116 -12.008 -7.901 -1.424 1.00 71.41 H new ATOM 0 HB VAL A 116 -9.687 -9.059 0.185 1.00 4.00 H new ATOM 0 HG11 VAL A 116 -8.303 -7.390 -0.990 1.00 54.44 H new ATOM 0 HG12 VAL A 116 -9.038 -8.555 -2.117 1.00 54.44 H new ATOM 0 HG13 VAL A 116 -9.713 -6.916 -1.967 1.00 54.44 H new ATOM 0 HG21 VAL A 116 -9.458 -6.781 1.115 1.00 33.12 H new ATOM 0 HG22 VAL A 116 -10.926 -6.283 0.240 1.00 33.12 H new ATOM 0 HG23 VAL A 116 -11.029 -7.509 1.526 1.00 33.12 H new ATOM 1902 N ARG A 120 -12.052 -6.363 -6.798 1.00 52.15 N ATOM 1903 CA ARG A 120 -13.405 -5.986 -6.373 1.00 52.34 C ATOM 1904 C ARG A 120 -13.652 -6.330 -4.895 1.00 24.33 C ATOM 1905 O ARG A 120 -13.101 -7.299 -4.367 1.00 61.42 O ATOM 1906 CB ARG A 120 -14.445 -6.669 -7.274 1.00 12.24 C ATOM 1907 CG ARG A 120 -14.311 -8.189 -7.342 1.00 71.54 C ATOM 1908 CD ARG A 120 -15.275 -8.795 -8.358 1.00 60.40 C ATOM 1909 NE ARG A 120 -15.168 -10.252 -8.426 1.00 74.44 N ATOM 1910 CZ ARG A 120 -15.751 -10.987 -9.333 1.00 2.32 C ATOM 1911 NH1 ARG A 120 -16.481 -10.442 -10.254 1.00 74.21 N ATOM 1912 NH2 ARG A 120 -15.608 -12.270 -9.308 1.00 60.34 N ATOM 0 HA ARG A 120 -13.504 -4.905 -6.473 1.00 52.34 H new ATOM 0 HB2 ARG A 120 -15.443 -6.419 -6.913 1.00 12.24 H new ATOM 0 HB3 ARG A 120 -14.360 -6.262 -8.282 1.00 12.24 H new ATOM 0 HG2 ARG A 120 -13.288 -8.453 -7.609 1.00 71.54 H new ATOM 0 HG3 ARG A 120 -14.504 -8.616 -6.358 1.00 71.54 H new ATOM 0 HD2 ARG A 120 -16.296 -8.520 -8.095 1.00 60.40 H new ATOM 0 HD3 ARG A 120 -15.075 -8.372 -9.342 1.00 60.40 H new ATOM 0 HE ARG A 120 -14.602 -10.723 -7.720 1.00 74.44 H new ATOM 0 HH11 ARG A 120 -16.604 -9.430 -10.275 1.00 74.21 H new ATOM 0 HH12 ARG A 120 -16.933 -11.025 -10.959 1.00 74.21 H new ATOM 0 HH21 ARG A 120 -15.041 -12.706 -8.581 1.00 60.34 H new ATOM 0 HH22 ARG A 120 -16.062 -12.848 -10.015 1.00 60.34 H new ATOM 1926 N TYR A 121 -14.482 -5.522 -4.236 1.00 65.10 N ATOM 1927 CA TYR A 121 -14.749 -5.675 -2.800 1.00 53.43 C ATOM 1928 C TYR A 121 -16.250 -5.888 -2.532 1.00 34.30 C ATOM 1929 O TYR A 121 -17.098 -5.373 -3.266 1.00 74.21 O ATOM 1930 CB TYR A 121 -14.256 -4.433 -2.048 1.00 12.33 C ATOM 1931 CG TYR A 121 -12.842 -4.007 -2.413 1.00 21.13 C ATOM 1932 CD1 TYR A 121 -11.735 -4.667 -1.889 1.00 43.30 C ATOM 1933 CD2 TYR A 121 -12.617 -2.946 -3.287 1.00 60.10 C ATOM 1934 CE1 TYR A 121 -10.449 -4.280 -2.221 1.00 20.03 C ATOM 1935 CE2 TYR A 121 -11.335 -2.554 -3.622 1.00 64.35 C ATOM 1936 CZ TYR A 121 -10.255 -3.225 -3.089 1.00 54.22 C ATOM 1937 OH TYR A 121 -8.974 -2.830 -3.415 1.00 75.41 O ATOM 0 H TYR A 121 -14.985 -4.750 -4.674 1.00 65.10 H new ATOM 0 HA TYR A 121 -14.214 -6.555 -2.444 1.00 53.43 H new ATOM 0 HB2 TYR A 121 -14.937 -3.606 -2.249 1.00 12.33 H new ATOM 0 HB3 TYR A 121 -14.300 -4.629 -0.977 1.00 12.33 H new ATOM 0 HD1 TYR A 121 -11.882 -5.495 -1.212 1.00 43.30 H new ATOM 0 HD2 TYR A 121 -13.460 -2.420 -3.711 1.00 60.10 H new ATOM 0 HE1 TYR A 121 -9.601 -4.801 -1.803 1.00 20.03 H new ATOM 0 HE2 TYR A 121 -11.180 -1.726 -4.298 1.00 64.35 H new ATOM 0 HH TYR A 121 -8.334 -3.274 -2.821 1.00 75.41 H new ATOM 1947 N TYR A 122 -16.573 -6.638 -1.475 1.00 3.13 N ATOM 1948 CA TYR A 122 -17.974 -6.938 -1.133 1.00 21.44 C ATOM 1949 C TYR A 122 -18.283 -6.686 0.353 1.00 20.20 C ATOM 1950 O TYR A 122 -17.507 -7.053 1.229 1.00 34.42 O ATOM 1951 CB TYR A 122 -18.305 -8.404 -1.454 1.00 52.11 C ATOM 1952 CG TYR A 122 -18.168 -8.783 -2.916 1.00 52.31 C ATOM 1953 CD1 TYR A 122 -19.223 -8.601 -3.803 1.00 25.40 C ATOM 1954 CD2 TYR A 122 -16.990 -9.342 -3.404 1.00 54.50 C ATOM 1955 CE1 TYR A 122 -19.107 -8.960 -5.132 1.00 33.12 C ATOM 1956 CE2 TYR A 122 -16.870 -9.707 -4.731 1.00 2.51 C ATOM 1957 CZ TYR A 122 -17.929 -9.514 -5.588 1.00 30.10 C ATOM 1958 OH TYR A 122 -17.815 -9.889 -6.909 1.00 51.12 O ATOM 0 H TYR A 122 -15.889 -7.049 -0.840 1.00 3.13 H new ATOM 0 HA TYR A 122 -18.587 -6.266 -1.734 1.00 21.44 H new ATOM 0 HB2 TYR A 122 -17.651 -9.047 -0.864 1.00 52.11 H new ATOM 0 HB3 TYR A 122 -19.327 -8.609 -1.134 1.00 52.11 H new ATOM 0 HD1 TYR A 122 -20.148 -8.172 -3.447 1.00 25.40 H new ATOM 0 HD2 TYR A 122 -16.156 -9.493 -2.734 1.00 54.50 H new ATOM 0 HE1 TYR A 122 -19.934 -8.808 -5.810 1.00 33.12 H new ATOM 0 HE2 TYR A 122 -15.950 -10.141 -5.094 1.00 2.51 H new ATOM 0 HH TYR A 122 -18.381 -9.312 -7.463 1.00 51.12 H new ATOM 1968 N ILE A 123 -19.425 -6.060 0.625 1.00 54.12 N ATOM 1969 CA ILE A 123 -19.970 -5.973 1.987 1.00 61.11 C ATOM 1970 C ILE A 123 -21.174 -6.915 2.124 1.00 61.30 C ATOM 1971 O ILE A 123 -22.269 -6.598 1.657 1.00 15.44 O ATOM 1972 CB ILE A 123 -20.398 -4.520 2.353 1.00 13.10 C ATOM 1973 CG1 ILE A 123 -19.161 -3.615 2.497 1.00 30.44 C ATOM 1974 CG2 ILE A 123 -21.236 -4.495 3.638 1.00 51.02 C ATOM 1975 CD1 ILE A 123 -18.251 -4.006 3.646 1.00 61.13 C ATOM 0 H ILE A 123 -19.999 -5.601 -0.082 1.00 54.12 H new ATOM 0 HA ILE A 123 -19.181 -6.270 2.678 1.00 61.11 H new ATOM 0 HB ILE A 123 -21.018 -4.138 1.542 1.00 13.10 H new ATOM 0 HG12 ILE A 123 -18.591 -3.643 1.568 1.00 30.44 H new ATOM 0 HG13 ILE A 123 -19.489 -2.585 2.639 1.00 30.44 H new ATOM 0 HG21 ILE A 123 -21.520 -3.468 3.868 1.00 51.02 H new ATOM 0 HG22 ILE A 123 -22.134 -5.097 3.499 1.00 51.02 H new ATOM 0 HG23 ILE A 123 -20.651 -4.903 4.462 1.00 51.02 H new ATOM 0 HD11 ILE A 123 -17.401 -3.324 3.685 1.00 61.13 H new ATOM 0 HD12 ILE A 123 -18.804 -3.951 4.583 1.00 61.13 H new ATOM 0 HD13 ILE A 123 -17.892 -5.024 3.496 1.00 61.13 H new ATOM 1987 N GLU A 124 -20.941 -8.095 2.715 1.00 34.14 N ATOM 1988 CA GLU A 124 -21.985 -9.123 2.938 1.00 15.02 C ATOM 1989 C GLU A 124 -22.836 -9.396 1.678 1.00 50.12 C ATOM 1990 O GLU A 124 -23.976 -9.864 1.772 1.00 34.54 O ATOM 1991 CB GLU A 124 -22.896 -8.751 4.132 1.00 22.44 C ATOM 1992 CG GLU A 124 -23.843 -7.579 3.879 1.00 33.43 C ATOM 1993 CD GLU A 124 -24.807 -7.342 5.026 1.00 54.04 C ATOM 1994 OE1 GLU A 124 -24.402 -6.725 6.031 1.00 4.31 O ATOM 1995 OE2 GLU A 124 -25.976 -7.779 4.930 1.00 40.23 O ATOM 0 H GLU A 124 -20.020 -8.371 3.056 1.00 34.14 H new ATOM 0 HA GLU A 124 -21.455 -10.045 3.175 1.00 15.02 H new ATOM 0 HB2 GLU A 124 -23.488 -9.625 4.405 1.00 22.44 H new ATOM 0 HB3 GLU A 124 -22.267 -8.512 4.989 1.00 22.44 H new ATOM 0 HG2 GLU A 124 -23.258 -6.675 3.710 1.00 33.43 H new ATOM 0 HG3 GLU A 124 -24.410 -7.767 2.967 1.00 33.43 H new ATOM 2002 N GLY A 125 -22.269 -9.126 0.501 1.00 62.11 N ATOM 2003 CA GLY A 125 -22.987 -9.341 -0.756 1.00 2.15 C ATOM 2004 C GLY A 125 -23.036 -8.100 -1.645 1.00 71.34 C ATOM 2005 O GLY A 125 -23.110 -8.208 -2.871 1.00 34.23 O ATOM 0 H GLY A 125 -21.323 -8.761 0.392 1.00 62.11 H new ATOM 0 HA2 GLY A 125 -22.510 -10.153 -1.304 1.00 2.15 H new ATOM 0 HA3 GLY A 125 -24.005 -9.661 -0.534 1.00 2.15 H new ATOM 2009 N ARG A 126 -22.986 -6.921 -1.030 1.00 52.41 N ATOM 2010 CA ARG A 126 -22.999 -5.656 -1.773 1.00 32.52 C ATOM 2011 C ARG A 126 -21.642 -5.378 -2.433 1.00 34.21 C ATOM 2012 O ARG A 126 -20.605 -5.401 -1.776 1.00 31.42 O ATOM 2013 CB ARG A 126 -23.356 -4.492 -0.832 1.00 12.21 C ATOM 2014 CG ARG A 126 -23.140 -3.106 -1.445 1.00 62.51 C ATOM 2015 CD ARG A 126 -24.085 -2.836 -2.615 1.00 61.02 C ATOM 2016 NE ARG A 126 -23.608 -1.750 -3.474 1.00 71.14 N ATOM 2017 CZ ARG A 126 -24.108 -0.540 -3.492 1.00 72.30 C ATOM 2018 NH1 ARG A 126 -24.989 -0.170 -2.615 1.00 43.52 N ATOM 2019 NH2 ARG A 126 -23.691 0.315 -4.371 1.00 4.53 N ATOM 0 H ARG A 126 -22.936 -6.811 -0.017 1.00 52.41 H new ATOM 0 HA ARG A 126 -23.752 -5.742 -2.556 1.00 32.52 H new ATOM 0 HB2 ARG A 126 -24.400 -4.587 -0.533 1.00 12.21 H new ATOM 0 HB3 ARG A 126 -22.756 -4.574 0.075 1.00 12.21 H new ATOM 0 HG2 ARG A 126 -23.288 -2.345 -0.679 1.00 62.51 H new ATOM 0 HG3 ARG A 126 -22.108 -3.019 -1.786 1.00 62.51 H new ATOM 0 HD2 ARG A 126 -24.195 -3.744 -3.208 1.00 61.02 H new ATOM 0 HD3 ARG A 126 -25.074 -2.585 -2.231 1.00 61.02 H new ATOM 0 HE ARG A 126 -22.831 -1.951 -4.103 1.00 71.14 H new ATOM 0 HH11 ARG A 126 -25.302 -0.825 -1.898 1.00 43.52 H new ATOM 0 HH12 ARG A 126 -25.369 0.776 -2.642 1.00 43.52 H new ATOM 0 HH21 ARG A 126 -22.976 0.045 -5.046 1.00 4.53 H new ATOM 0 HH22 ARG A 126 -24.078 1.259 -4.388 1.00 4.53 H new ATOM 2033 N GLU A 127 -21.656 -5.109 -3.733 1.00 34.33 N ATOM 2034 CA GLU A 127 -20.435 -4.747 -4.454 1.00 74.40 C ATOM 2035 C GLU A 127 -20.049 -3.280 -4.184 1.00 13.31 C ATOM 2036 O GLU A 127 -20.905 -2.389 -4.176 1.00 30.12 O ATOM 2037 CB GLU A 127 -20.617 -4.986 -5.959 1.00 61.25 C ATOM 2038 CG GLU A 127 -21.717 -4.142 -6.598 1.00 3.51 C ATOM 2039 CD GLU A 127 -21.925 -4.474 -8.064 1.00 74.13 C ATOM 2040 OE1 GLU A 127 -21.192 -3.932 -8.914 1.00 75.35 O ATOM 2041 OE2 GLU A 127 -22.822 -5.287 -8.372 1.00 34.33 O ATOM 0 H GLU A 127 -22.496 -5.134 -4.311 1.00 34.33 H new ATOM 0 HA GLU A 127 -19.625 -5.380 -4.093 1.00 74.40 H new ATOM 0 HB2 GLU A 127 -19.674 -4.778 -6.465 1.00 61.25 H new ATOM 0 HB3 GLU A 127 -20.841 -6.040 -6.124 1.00 61.25 H new ATOM 0 HG2 GLU A 127 -22.651 -4.298 -6.057 1.00 3.51 H new ATOM 0 HG3 GLU A 127 -21.464 -3.086 -6.500 1.00 3.51 H new ATOM 2048 N ILE A 128 -18.763 -3.037 -3.945 1.00 14.23 N ATOM 2049 CA ILE A 128 -18.273 -1.692 -3.626 1.00 4.21 C ATOM 2050 C ILE A 128 -17.702 -0.985 -4.873 1.00 34.34 C ATOM 2051 O ILE A 128 -16.881 -1.547 -5.598 1.00 65.42 O ATOM 2052 CB ILE A 128 -17.201 -1.749 -2.507 1.00 30.32 C ATOM 2053 CG1 ILE A 128 -17.738 -2.532 -1.292 1.00 62.14 C ATOM 2054 CG2 ILE A 128 -16.783 -0.341 -2.085 1.00 11.24 C ATOM 2055 CD1 ILE A 128 -18.987 -1.928 -0.679 1.00 71.20 C ATOM 0 H ILE A 128 -18.037 -3.753 -3.965 1.00 14.23 H new ATOM 0 HA ILE A 128 -19.124 -1.112 -3.270 1.00 4.21 H new ATOM 0 HB ILE A 128 -16.324 -2.264 -2.899 1.00 30.32 H new ATOM 0 HG12 ILE A 128 -17.953 -3.556 -1.597 1.00 62.14 H new ATOM 0 HG13 ILE A 128 -16.959 -2.583 -0.531 1.00 62.14 H new ATOM 0 HG21 ILE A 128 -16.030 -0.405 -1.299 1.00 11.24 H new ATOM 0 HG22 ILE A 128 -16.368 0.188 -2.943 1.00 11.24 H new ATOM 0 HG23 ILE A 128 -17.652 0.200 -1.711 1.00 11.24 H new ATOM 0 HD11 ILE A 128 -19.305 -2.533 0.170 1.00 71.20 H new ATOM 0 HD12 ILE A 128 -18.773 -0.914 -0.341 1.00 71.20 H new ATOM 0 HD13 ILE A 128 -19.782 -1.902 -1.424 1.00 71.20 H new ATOM 2067 N ASP A 129 -18.134 0.258 -5.098 1.00 54.04 N ATOM 2068 CA ASP A 129 -17.775 1.022 -6.306 1.00 72.12 C ATOM 2069 C ASP A 129 -16.270 1.365 -6.386 1.00 24.11 C ATOM 2070 O ASP A 129 -15.753 1.645 -7.471 1.00 24.44 O ATOM 2071 CB ASP A 129 -18.609 2.307 -6.350 1.00 52.44 C ATOM 2072 CG ASP A 129 -18.330 3.153 -7.583 1.00 44.43 C ATOM 2073 OD1 ASP A 129 -18.899 2.858 -8.652 1.00 31.02 O ATOM 2074 OD2 ASP A 129 -17.540 4.118 -7.485 1.00 34.45 O ATOM 0 H ASP A 129 -18.740 0.766 -4.454 1.00 54.04 H new ATOM 0 HA ASP A 129 -17.992 0.390 -7.168 1.00 72.12 H new ATOM 0 HB2 ASP A 129 -19.667 2.048 -6.325 1.00 52.44 H new ATOM 0 HB3 ASP A 129 -18.405 2.897 -5.457 1.00 52.44 H new ATOM 2079 N LEU A 130 -15.581 1.335 -5.244 1.00 70.54 N ATOM 2080 CA LEU A 130 -14.159 1.722 -5.159 1.00 24.14 C ATOM 2081 C LEU A 130 -13.305 1.130 -6.298 1.00 21.11 C ATOM 2082 O LEU A 130 -13.259 -0.086 -6.492 1.00 23.12 O ATOM 2083 CB LEU A 130 -13.580 1.302 -3.801 1.00 31.24 C ATOM 2084 CG LEU A 130 -14.203 1.998 -2.583 1.00 12.04 C ATOM 2085 CD1 LEU A 130 -13.619 1.448 -1.286 1.00 70.24 C ATOM 2086 CD2 LEU A 130 -14.006 3.510 -2.667 1.00 13.51 C ATOM 0 H LEU A 130 -15.984 1.045 -4.353 1.00 70.54 H new ATOM 0 HA LEU A 130 -14.121 2.806 -5.263 1.00 24.14 H new ATOM 0 HB2 LEU A 130 -13.705 0.225 -3.688 1.00 31.24 H new ATOM 0 HB3 LEU A 130 -12.508 1.500 -3.804 1.00 31.24 H new ATOM 0 HG LEU A 130 -15.273 1.793 -2.585 1.00 12.04 H new ATOM 0 HD11 LEU A 130 -14.076 1.956 -0.437 1.00 70.24 H new ATOM 0 HD12 LEU A 130 -13.821 0.379 -1.220 1.00 70.24 H new ATOM 0 HD13 LEU A 130 -12.542 1.615 -1.272 1.00 70.24 H new ATOM 0 HD21 LEU A 130 -14.455 3.984 -1.794 1.00 13.51 H new ATOM 0 HD22 LEU A 130 -12.940 3.737 -2.696 1.00 13.51 H new ATOM 0 HD23 LEU A 130 -14.482 3.889 -3.571 1.00 13.51 H new ATOM 2098 N GLY A 131 -12.638 2.009 -7.048 1.00 34.43 N ATOM 2099 CA GLY A 131 -11.793 1.574 -8.158 1.00 1.24 C ATOM 2100 C GLY A 131 -10.312 1.502 -7.791 1.00 34.21 C ATOM 2101 O GLY A 131 -9.752 0.414 -7.651 1.00 20.11 O ATOM 0 H GLY A 131 -12.667 3.019 -6.908 1.00 34.43 H new ATOM 0 HA2 GLY A 131 -12.125 0.593 -8.497 1.00 1.24 H new ATOM 0 HA3 GLY A 131 -11.921 2.261 -8.995 1.00 1.24 H new ATOM 2105 N TYR A 132 -9.676 2.663 -7.639 1.00 30.51 N ATOM 2106 CA TYR A 132 -8.251 2.729 -7.282 1.00 5.42 C ATOM 2107 C TYR A 132 -7.950 3.986 -6.449 1.00 55.45 C ATOM 2108 O TYR A 132 -7.525 3.891 -5.293 1.00 21.01 O ATOM 2109 CB TYR A 132 -7.389 2.715 -8.557 1.00 13.00 C ATOM 2110 CG TYR A 132 -5.886 2.695 -8.309 1.00 62.22 C ATOM 2111 CD1 TYR A 132 -5.164 3.877 -8.155 1.00 34.54 C ATOM 2112 CD2 TYR A 132 -5.189 1.493 -8.241 1.00 73.51 C ATOM 2113 CE1 TYR A 132 -3.799 3.859 -7.938 1.00 15.04 C ATOM 2114 CE2 TYR A 132 -3.822 1.469 -8.026 1.00 73.33 C ATOM 2115 CZ TYR A 132 -3.132 2.655 -7.875 1.00 32.41 C ATOM 2116 OH TYR A 132 -1.768 2.634 -7.667 1.00 44.01 O ATOM 0 H TYR A 132 -10.121 3.573 -7.757 1.00 30.51 H new ATOM 0 HA TYR A 132 -8.007 1.856 -6.677 1.00 5.42 H new ATOM 0 HB2 TYR A 132 -7.657 1.841 -9.151 1.00 13.00 H new ATOM 0 HB3 TYR A 132 -7.633 3.594 -9.154 1.00 13.00 H new ATOM 0 HD1 TYR A 132 -5.680 4.824 -8.206 1.00 34.54 H new ATOM 0 HD2 TYR A 132 -5.724 0.562 -8.358 1.00 73.51 H new ATOM 0 HE1 TYR A 132 -3.257 4.786 -7.818 1.00 15.04 H new ATOM 0 HE2 TYR A 132 -3.297 0.526 -7.977 1.00 73.33 H new ATOM 0 HH TYR A 132 -1.454 1.706 -7.648 1.00 44.01 H new ATOM 2126 N GLY A 133 -8.196 5.159 -7.040 1.00 0.35 N ATOM 2127 CA GLY A 133 -7.913 6.425 -6.370 1.00 22.41 C ATOM 2128 C GLY A 133 -8.608 6.568 -5.018 1.00 12.14 C ATOM 2129 O GLY A 133 -7.978 6.918 -4.023 1.00 3.35 O ATOM 0 H GLY A 133 -8.589 5.255 -7.977 1.00 0.35 H new ATOM 0 HA2 GLY A 133 -6.836 6.519 -6.228 1.00 22.41 H new ATOM 0 HA3 GLY A 133 -8.222 7.246 -7.017 1.00 22.41 H new ATOM 2133 N GLU A 134 -9.910 6.308 -4.980 1.00 11.42 N ATOM 2134 CA GLU A 134 -10.666 6.350 -3.726 1.00 23.24 C ATOM 2135 C GLU A 134 -10.410 5.095 -2.869 1.00 52.03 C ATOM 2136 O GLU A 134 -10.406 5.161 -1.641 1.00 73.31 O ATOM 2137 CB GLU A 134 -12.169 6.505 -4.008 1.00 25.43 C ATOM 2138 CG GLU A 134 -12.519 7.727 -4.854 1.00 34.21 C ATOM 2139 CD GLU A 134 -11.946 9.024 -4.293 1.00 20.12 C ATOM 2140 OE1 GLU A 134 -12.517 9.570 -3.327 1.00 44.22 O ATOM 2141 OE2 GLU A 134 -10.912 9.499 -4.813 1.00 0.03 O ATOM 0 H GLU A 134 -10.467 6.066 -5.800 1.00 11.42 H new ATOM 0 HA GLU A 134 -10.321 7.216 -3.162 1.00 23.24 H new ATOM 0 HB2 GLU A 134 -12.527 5.610 -4.516 1.00 25.43 H new ATOM 0 HB3 GLU A 134 -12.702 6.568 -3.059 1.00 25.43 H new ATOM 0 HG2 GLU A 134 -12.145 7.580 -5.867 1.00 34.21 H new ATOM 0 HG3 GLU A 134 -13.603 7.815 -4.924 1.00 34.21 H new ATOM 2148 N ALA A 135 -10.175 3.957 -3.529 1.00 44.34 N ATOM 2149 CA ALA A 135 -9.968 2.672 -2.837 1.00 33.34 C ATOM 2150 C ALA A 135 -8.783 2.721 -1.859 1.00 45.13 C ATOM 2151 O ALA A 135 -8.786 2.052 -0.823 1.00 34.32 O ATOM 2152 CB ALA A 135 -9.761 1.554 -3.855 1.00 71.40 C ATOM 0 H ALA A 135 -10.122 3.895 -4.546 1.00 44.34 H new ATOM 0 HA ALA A 135 -10.865 2.472 -2.251 1.00 33.34 H new ATOM 0 HB1 ALA A 135 -9.609 0.610 -3.332 1.00 71.40 H new ATOM 0 HB2 ALA A 135 -10.640 1.477 -4.495 1.00 71.40 H new ATOM 0 HB3 ALA A 135 -8.886 1.776 -4.466 1.00 71.40 H new ATOM 2158 N THR A 136 -7.777 3.526 -2.184 1.00 40.42 N ATOM 2159 CA THR A 136 -6.576 3.650 -1.343 1.00 10.01 C ATOM 2160 C THR A 136 -6.809 4.548 -0.114 1.00 11.33 C ATOM 2161 O THR A 136 -5.881 4.819 0.650 1.00 15.14 O ATOM 2162 CB THR A 136 -5.380 4.208 -2.156 1.00 74.32 C ATOM 2163 OG1 THR A 136 -4.178 4.188 -1.370 1.00 12.21 O ATOM 2164 CG2 THR A 136 -5.649 5.631 -2.633 1.00 21.54 C ATOM 0 H THR A 136 -7.763 4.106 -3.023 1.00 40.42 H new ATOM 0 HA THR A 136 -6.346 2.643 -0.994 1.00 10.01 H new ATOM 0 HB THR A 136 -5.252 3.566 -3.027 1.00 74.32 H new ATOM 0 HG1 THR A 136 -4.403 4.321 -0.425 1.00 12.21 H new ATOM 0 HG21 THR A 136 -4.791 5.993 -3.200 1.00 21.54 H new ATOM 0 HG22 THR A 136 -6.534 5.640 -3.269 1.00 21.54 H new ATOM 0 HG23 THR A 136 -5.814 6.278 -1.772 1.00 21.54 H new ATOM 2172 N LYS A 137 -8.050 5.000 0.079 1.00 42.55 N ATOM 2173 CA LYS A 137 -8.395 5.905 1.188 1.00 62.50 C ATOM 2174 C LYS A 137 -9.266 5.206 2.251 1.00 33.42 C ATOM 2175 O LYS A 137 -9.672 5.821 3.241 1.00 25.24 O ATOM 2176 CB LYS A 137 -9.116 7.138 0.628 1.00 13.21 C ATOM 2177 CG LYS A 137 -8.305 7.868 -0.441 1.00 40.21 C ATOM 2178 CD LYS A 137 -9.115 8.956 -1.143 1.00 0.13 C ATOM 2179 CE LYS A 137 -8.327 9.584 -2.288 1.00 23.10 C ATOM 2180 NZ LYS A 137 -9.127 10.583 -3.043 1.00 53.32 N ATOM 0 H LYS A 137 -8.839 4.755 -0.519 1.00 42.55 H new ATOM 0 HA LYS A 137 -7.472 6.210 1.682 1.00 62.50 H new ATOM 0 HB2 LYS A 137 -10.073 6.832 0.205 1.00 13.21 H new ATOM 0 HB3 LYS A 137 -9.334 7.827 1.444 1.00 13.21 H new ATOM 0 HG2 LYS A 137 -7.423 8.314 0.018 1.00 40.21 H new ATOM 0 HG3 LYS A 137 -7.951 7.149 -1.179 1.00 40.21 H new ATOM 0 HD2 LYS A 137 -10.042 8.531 -1.527 1.00 0.13 H new ATOM 0 HD3 LYS A 137 -9.392 9.727 -0.424 1.00 0.13 H new ATOM 0 HE2 LYS A 137 -7.433 10.064 -1.890 1.00 23.10 H new ATOM 0 HE3 LYS A 137 -7.993 8.801 -2.968 1.00 23.10 H new ATOM 0 HZ1 LYS A 137 -8.500 11.331 -3.401 1.00 53.32 H new ATOM 0 HZ2 LYS A 137 -9.600 10.116 -3.843 1.00 53.32 H new ATOM 0 HZ3 LYS A 137 -9.842 11.002 -2.414 1.00 53.32 H new ATOM 2194 N ILE A 138 -9.560 3.922 2.031 1.00 2.12 N ATOM 2195 CA ILE A 138 -10.318 3.110 2.995 1.00 33.11 C ATOM 2196 C ILE A 138 -9.383 2.125 3.721 1.00 2.41 C ATOM 2197 O ILE A 138 -8.938 1.134 3.137 1.00 51.11 O ATOM 2198 CB ILE A 138 -11.473 2.315 2.308 1.00 3.33 C ATOM 2199 CG1 ILE A 138 -12.571 3.260 1.771 1.00 5.43 C ATOM 2200 CG2 ILE A 138 -12.081 1.296 3.275 1.00 21.24 C ATOM 2201 CD1 ILE A 138 -12.143 4.121 0.602 1.00 14.24 C ATOM 0 H ILE A 138 -9.284 3.417 1.189 1.00 2.12 H new ATOM 0 HA ILE A 138 -10.760 3.799 3.715 1.00 33.11 H new ATOM 0 HB ILE A 138 -11.042 1.782 1.460 1.00 3.33 H new ATOM 0 HG12 ILE A 138 -13.431 2.662 1.470 1.00 5.43 H new ATOM 0 HG13 ILE A 138 -12.902 3.909 2.582 1.00 5.43 H new ATOM 0 HG21 ILE A 138 -12.884 0.754 2.775 1.00 21.24 H new ATOM 0 HG22 ILE A 138 -11.312 0.593 3.594 1.00 21.24 H new ATOM 0 HG23 ILE A 138 -12.481 1.815 4.146 1.00 21.24 H new ATOM 0 HD11 ILE A 138 -12.976 4.752 0.291 1.00 14.24 H new ATOM 0 HD12 ILE A 138 -11.304 4.749 0.901 1.00 14.24 H new ATOM 0 HD13 ILE A 138 -11.841 3.483 -0.229 1.00 14.24 H new ATOM 2213 N TRP A 139 -9.089 2.406 4.991 1.00 0.22 N ATOM 2214 CA TRP A 139 -8.136 1.598 5.773 1.00 21.12 C ATOM 2215 C TRP A 139 -8.813 0.396 6.451 1.00 74.15 C ATOM 2216 O TRP A 139 -9.800 0.547 7.175 1.00 53.14 O ATOM 2217 CB TRP A 139 -7.444 2.470 6.831 1.00 34.22 C ATOM 2218 CG TRP A 139 -6.518 3.493 6.245 1.00 11.12 C ATOM 2219 CD1 TRP A 139 -6.866 4.604 5.535 1.00 53.04 C ATOM 2220 CD2 TRP A 139 -5.088 3.500 6.327 1.00 61.14 C ATOM 2221 NE1 TRP A 139 -5.742 5.297 5.166 1.00 23.40 N ATOM 2222 CE2 TRP A 139 -4.639 4.644 5.641 1.00 60.15 C ATOM 2223 CE3 TRP A 139 -4.146 2.654 6.916 1.00 4.51 C ATOM 2224 CZ2 TRP A 139 -3.289 4.961 5.524 1.00 14.25 C ATOM 2225 CZ3 TRP A 139 -2.804 2.968 6.797 1.00 72.45 C ATOM 2226 CH2 TRP A 139 -2.386 4.116 6.110 1.00 41.31 C ATOM 0 H TRP A 139 -9.495 3.187 5.506 1.00 0.22 H new ATOM 0 HA TRP A 139 -7.395 1.209 5.075 1.00 21.12 H new ATOM 0 HB2 TRP A 139 -8.203 2.977 7.427 1.00 34.22 H new ATOM 0 HB3 TRP A 139 -6.882 1.828 7.509 1.00 34.22 H new ATOM 0 HD1 TRP A 139 -7.879 4.895 5.298 1.00 53.04 H new ATOM 0 HE1 TRP A 139 -5.731 6.161 4.624 1.00 23.40 H new ATOM 0 HE3 TRP A 139 -4.459 1.772 7.454 1.00 4.51 H new ATOM 0 HZ2 TRP A 139 -2.966 5.842 4.990 1.00 14.25 H new ATOM 0 HZ3 TRP A 139 -2.065 2.317 7.241 1.00 72.45 H new ATOM 0 HH2 TRP A 139 -1.331 4.338 6.042 1.00 41.31 H new ATOM 2237 N VAL A 140 -8.252 -0.794 6.231 1.00 61.40 N ATOM 2238 CA VAL A 140 -8.797 -2.040 6.786 1.00 72.53 C ATOM 2239 C VAL A 140 -7.713 -2.876 7.500 1.00 22.14 C ATOM 2240 O VAL A 140 -6.524 -2.556 7.443 1.00 72.40 O ATOM 2241 CB VAL A 140 -9.455 -2.898 5.673 1.00 61.13 C ATOM 2242 CG1 VAL A 140 -10.662 -2.179 5.071 1.00 15.24 C ATOM 2243 CG2 VAL A 140 -8.436 -3.250 4.587 1.00 20.12 C ATOM 0 H VAL A 140 -7.412 -0.924 5.667 1.00 61.40 H new ATOM 0 HA VAL A 140 -9.550 -1.754 7.520 1.00 72.53 H new ATOM 0 HB VAL A 140 -9.806 -3.826 6.125 1.00 61.13 H new ATOM 0 HG11 VAL A 140 -11.105 -2.801 4.293 1.00 15.24 H new ATOM 0 HG12 VAL A 140 -11.400 -1.992 5.851 1.00 15.24 H new ATOM 0 HG13 VAL A 140 -10.342 -1.231 4.639 1.00 15.24 H new ATOM 0 HG21 VAL A 140 -8.918 -3.852 3.817 1.00 20.12 H new ATOM 0 HG22 VAL A 140 -8.048 -2.334 4.142 1.00 20.12 H new ATOM 0 HG23 VAL A 140 -7.615 -3.815 5.028 1.00 20.12 H new ATOM 2253 N ARG A 141 -8.137 -3.946 8.184 1.00 13.15 N ATOM 2254 CA ARG A 141 -7.219 -4.827 8.931 1.00 13.03 C ATOM 2255 C ARG A 141 -7.554 -6.319 8.707 1.00 45.21 C ATOM 2256 O ARG A 141 -8.704 -6.675 8.478 1.00 15.13 O ATOM 2257 CB ARG A 141 -7.276 -4.489 10.427 1.00 64.44 C ATOM 2258 CG ARG A 141 -6.832 -3.062 10.748 1.00 40.41 C ATOM 2259 CD ARG A 141 -6.888 -2.773 12.242 1.00 14.52 C ATOM 2260 NE ARG A 141 -6.279 -1.489 12.588 1.00 34.44 N ATOM 2261 CZ ARG A 141 -5.747 -1.226 13.751 1.00 14.51 C ATOM 2262 NH1 ARG A 141 -5.757 -2.115 14.692 1.00 41.31 N ATOM 2263 NH2 ARG A 141 -5.207 -0.070 13.974 1.00 1.24 N ATOM 0 H ARG A 141 -9.116 -4.227 8.238 1.00 13.15 H new ATOM 0 HA ARG A 141 -6.209 -4.656 8.558 1.00 13.03 H new ATOM 0 HB2 ARG A 141 -8.295 -4.633 10.785 1.00 64.44 H new ATOM 0 HB3 ARG A 141 -6.644 -5.189 10.974 1.00 64.44 H new ATOM 0 HG2 ARG A 141 -5.815 -2.908 10.386 1.00 40.41 H new ATOM 0 HG3 ARG A 141 -7.470 -2.355 10.217 1.00 40.41 H new ATOM 0 HD2 ARG A 141 -7.927 -2.779 12.571 1.00 14.52 H new ATOM 0 HD3 ARG A 141 -6.378 -3.571 12.782 1.00 14.52 H new ATOM 0 HE ARG A 141 -6.269 -0.756 11.879 1.00 34.44 H new ATOM 0 HH11 ARG A 141 -6.182 -3.027 14.527 1.00 41.31 H new ATOM 0 HH12 ARG A 141 -5.340 -1.903 15.598 1.00 41.31 H new ATOM 0 HH21 ARG A 141 -5.197 0.638 13.240 1.00 1.24 H new ATOM 0 HH22 ARG A 141 -4.792 0.132 14.884 1.00 1.24 H new ATOM 2277 N ARG A 142 -6.542 -7.186 8.789 1.00 64.43 N ATOM 2278 CA ARG A 142 -6.702 -8.620 8.466 1.00 34.10 C ATOM 2279 C ARG A 142 -7.560 -9.371 9.512 1.00 4.04 C ATOM 2280 O ARG A 142 -7.265 -9.342 10.709 1.00 51.03 O ATOM 2281 CB ARG A 142 -5.315 -9.280 8.366 1.00 21.54 C ATOM 2282 CG ARG A 142 -5.323 -10.719 7.835 1.00 22.11 C ATOM 2283 CD ARG A 142 -5.600 -10.784 6.331 1.00 31.13 C ATOM 2284 NE ARG A 142 -5.513 -12.152 5.816 1.00 54.12 N ATOM 2285 CZ ARG A 142 -5.208 -12.467 4.580 1.00 31.34 C ATOM 2286 NH1 ARG A 142 -4.944 -11.554 3.699 1.00 22.31 N ATOM 2287 NH2 ARG A 142 -5.162 -13.709 4.230 1.00 75.52 N ATOM 0 H ARG A 142 -5.598 -6.927 9.076 1.00 64.43 H new ATOM 0 HA ARG A 142 -7.225 -8.684 7.512 1.00 34.10 H new ATOM 0 HB2 ARG A 142 -4.685 -8.672 7.717 1.00 21.54 H new ATOM 0 HB3 ARG A 142 -4.854 -9.275 9.354 1.00 21.54 H new ATOM 0 HG2 ARG A 142 -4.361 -11.186 8.045 1.00 22.11 H new ATOM 0 HG3 ARG A 142 -6.080 -11.295 8.366 1.00 22.11 H new ATOM 0 HD2 ARG A 142 -6.593 -10.382 6.127 1.00 31.13 H new ATOM 0 HD3 ARG A 142 -4.886 -10.152 5.803 1.00 31.13 H new ATOM 0 HE ARG A 142 -5.703 -12.915 6.466 1.00 54.12 H new ATOM 0 HH11 ARG A 142 -4.971 -10.569 3.962 1.00 22.31 H new ATOM 0 HH12 ARG A 142 -4.709 -11.821 2.743 1.00 22.31 H new ATOM 0 HH21 ARG A 142 -5.362 -14.439 4.913 1.00 75.52 H new ATOM 0 HH22 ARG A 142 -4.925 -13.960 3.270 1.00 75.52 H new ATOM 2301 N VAL A 143 -8.616 -10.052 9.048 1.00 20.40 N ATOM 2302 CA VAL A 143 -9.460 -10.896 9.918 1.00 41.44 C ATOM 2303 C VAL A 143 -9.676 -12.294 9.298 1.00 61.21 C ATOM 2304 O VAL A 143 -9.022 -12.651 8.314 1.00 4.13 O ATOM 2305 CB VAL A 143 -10.837 -10.237 10.211 1.00 41.15 C ATOM 2306 CG1 VAL A 143 -10.665 -8.936 10.993 1.00 73.32 C ATOM 2307 CG2 VAL A 143 -11.617 -9.996 8.920 1.00 50.21 C ATOM 0 H VAL A 143 -8.911 -10.037 8.072 1.00 20.40 H new ATOM 0 HA VAL A 143 -8.925 -11.002 10.862 1.00 41.44 H new ATOM 0 HB VAL A 143 -11.413 -10.928 10.827 1.00 41.15 H new ATOM 0 HG11 VAL A 143 -11.643 -8.495 11.185 1.00 73.32 H new ATOM 0 HG12 VAL A 143 -10.168 -9.144 11.941 1.00 73.32 H new ATOM 0 HG13 VAL A 143 -10.061 -8.239 10.412 1.00 73.32 H new ATOM 0 HG21 VAL A 143 -12.576 -9.534 9.155 1.00 50.21 H new ATOM 0 HG22 VAL A 143 -11.046 -9.335 8.268 1.00 50.21 H new ATOM 0 HG23 VAL A 143 -11.786 -10.947 8.414 1.00 50.21 H new