USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 632 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 NoAdj : A 21 ASNHD21 : A 21 ASN OD1 : A1085 CACA :(metal ligand) USER MOD NoAdj : A 21 ASNHD22 : A 21 ASN OD1 : A1085 CACA :(metal ligand) USER MOD Single : A 1 ALA N :NH3+ -167:sc= -0.0186 (180deg=-0.179) USER MOD Single : A 4 HIS : no HD1:sc= -3.27 K(o=-3.3,f=-1.8) USER MOD Single : A 6 GLN : amide:sc= -1.89! K(o=-1.9!,f=-0.94) USER MOD Single : A 8 LYS NZ :NH3+ 155:sc= -0.0537 (180deg=-0.564) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= 0.486 (180deg=0.128) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -153:sc=-0.00905 (180deg=-0.579) USER MOD Single : A 37 THR OG1 : rot 120:sc= -2.75! USER MOD Single : A 40 SER OG : rot 40:sc= 0.13 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0589 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.192 K(o=-0.19,f=-0.74) USER MOD Single : A 49 MET CE :methyl 172:sc= -0.0424 (180deg=-0.18) USER MOD Single : A 50 MET CE :methyl 174:sc= -11.2! (180deg=-11.4!) USER MOD Single : A 55 THR OG1 : rot -26:sc= -1.82! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.29) USER MOD Single : A 67 THR OG1 : rot 76:sc= 0.897 USER MOD Single : A 73 ASN : amide:sc= -1.97! C(o=-2!,f=-2.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -140:sc= 0.993 (180deg=0.677) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.452 -15.081 2.488 1.00 0.00 N ATOM 2 CA ALA A 1 9.838 -13.858 1.730 1.00 0.00 C ATOM 3 C ALA A 1 8.913 -13.690 0.523 1.00 0.00 C ATOM 4 O ALA A 1 8.591 -12.590 0.122 1.00 0.00 O ATOM 5 CB ALA A 1 11.284 -13.994 1.249 1.00 0.00 C ATOM 0 H1 ALA A 1 9.924 -15.079 3.415 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.421 -15.094 2.625 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.741 -15.926 1.954 1.00 0.00 H new ATOM 0 HA ALA A 1 9.749 -12.986 2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.568 -13.100 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.944 -14.113 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.371 -14.866 0.601 1.00 0.00 H new ATOM 13 N ASP A 2 8.488 -14.776 -0.059 1.00 0.00 N ATOM 14 CA ASP A 2 7.585 -14.685 -1.242 1.00 0.00 C ATOM 15 C ASP A 2 6.169 -14.333 -0.782 1.00 0.00 C ATOM 16 O ASP A 2 5.397 -13.748 -1.515 1.00 0.00 O ATOM 17 CB ASP A 2 7.567 -16.029 -1.971 1.00 0.00 C ATOM 18 CG ASP A 2 8.905 -16.243 -2.680 1.00 0.00 C ATOM 19 OD1 ASP A 2 9.643 -15.281 -2.811 1.00 0.00 O ATOM 20 OD2 ASP A 2 9.169 -17.365 -3.080 1.00 0.00 O ATOM 0 H ASP A 2 8.726 -15.724 0.233 1.00 0.00 H new ATOM 0 HA ASP A 2 7.947 -13.909 -1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.386 -16.837 -1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.752 -16.051 -2.695 1.00 0.00 H new ATOM 25 N ASP A 3 5.821 -14.686 0.425 1.00 25.00 N ATOM 26 CA ASP A 3 4.453 -14.370 0.926 1.00 25.00 C ATOM 27 C ASP A 3 4.399 -12.912 1.384 1.00 25.00 C ATOM 28 O ASP A 3 5.097 -12.511 2.294 1.00 25.00 O ATOM 29 CB ASP A 3 4.118 -15.287 2.104 1.00 25.00 C ATOM 30 CG ASP A 3 2.652 -15.095 2.497 1.00 25.00 C ATOM 31 OD1 ASP A 3 2.061 -14.129 2.047 1.00 25.00 O ATOM 32 OD2 ASP A 3 2.147 -15.919 3.242 1.00 25.00 O ATOM 0 H ASP A 3 6.423 -15.178 1.085 1.00 25.00 H new ATOM 0 HA ASP A 3 3.729 -14.525 0.126 1.00 25.00 H new ATOM 0 HB2 ASP A 3 4.300 -16.327 1.833 1.00 25.00 H new ATOM 0 HB3 ASP A 3 4.766 -15.061 2.951 1.00 25.00 H new ATOM 37 N HIS A 4 3.574 -12.115 0.761 1.00 25.00 N ATOM 38 CA HIS A 4 3.475 -10.681 1.163 1.00 25.00 C ATOM 39 C HIS A 4 2.139 -10.442 1.865 1.00 25.00 C ATOM 40 O HIS A 4 1.272 -11.294 1.876 1.00 25.00 O ATOM 41 CB HIS A 4 3.563 -9.776 -0.076 1.00 50.00 C ATOM 42 CG HIS A 4 3.250 -10.562 -1.323 1.00 50.00 C ATOM 43 ND1 HIS A 4 1.951 -10.772 -1.758 1.00 50.00 N ATOM 44 CD2 HIS A 4 4.059 -11.190 -2.237 1.00 50.00 C ATOM 45 CE1 HIS A 4 2.016 -11.498 -2.889 1.00 50.00 C ATOM 46 NE2 HIS A 4 3.277 -11.779 -3.226 1.00 50.00 N ATOM 0 H HIS A 4 2.965 -12.393 -0.008 1.00 25.00 H new ATOM 0 HA HIS A 4 4.298 -10.445 1.838 1.00 25.00 H new ATOM 0 HB2 HIS A 4 2.865 -8.945 0.023 1.00 50.00 H new ATOM 0 HB3 HIS A 4 4.562 -9.346 -0.150 1.00 50.00 H new ATOM 0 HD2 HIS A 4 5.138 -11.222 -2.195 1.00 50.00 H new ATOM 0 HE1 HIS A 4 1.153 -11.815 -3.455 1.00 50.00 H new ATOM 0 HE2 HIS A 4 3.598 -12.311 -4.035 1.00 50.00 H new ATOM 54 N PRO A 5 1.971 -9.252 2.459 1.00 25.00 N ATOM 55 CA PRO A 5 0.736 -8.887 3.162 1.00 25.00 C ATOM 56 C PRO A 5 -0.435 -8.743 2.188 1.00 25.00 C ATOM 57 O PRO A 5 -1.585 -8.873 2.558 1.00 25.00 O ATOM 58 CB PRO A 5 1.070 -7.534 3.794 1.00 50.00 C ATOM 59 CG PRO A 5 2.158 -6.983 2.937 1.00 50.00 C ATOM 60 CD PRO A 5 2.968 -8.167 2.491 1.00 50.00 C ATOM 0 HA PRO A 5 0.432 -9.641 3.888 1.00 25.00 H new ATOM 0 HB2 PRO A 5 0.201 -6.876 3.806 1.00 50.00 H new ATOM 0 HB3 PRO A 5 1.397 -7.648 4.827 1.00 50.00 H new ATOM 0 HG2 PRO A 5 1.748 -6.446 2.082 1.00 50.00 H new ATOM 0 HG3 PRO A 5 2.773 -6.276 3.493 1.00 50.00 H new ATOM 0 HD2 PRO A 5 3.419 -8.003 1.512 1.00 50.00 H new ATOM 0 HD3 PRO A 5 3.781 -8.385 3.184 1.00 50.00 H new ATOM 68 N GLN A 6 -0.148 -8.483 0.943 1.00 25.00 N ATOM 69 CA GLN A 6 -1.233 -8.339 -0.061 1.00 25.00 C ATOM 70 C GLN A 6 -1.980 -9.666 -0.186 1.00 25.00 C ATOM 71 O GLN A 6 -3.191 -9.704 -0.278 1.00 25.00 O ATOM 72 CB GLN A 6 -0.618 -7.968 -1.411 1.00 25.00 C ATOM 73 CG GLN A 6 -0.127 -6.518 -1.378 1.00 25.00 C ATOM 74 CD GLN A 6 -1.223 -5.616 -0.807 1.00 25.00 C ATOM 75 OE1 GLN A 6 -2.020 -5.068 -1.543 1.00 25.00 O ATOM 76 NE2 GLN A 6 -1.296 -5.438 0.483 1.00 25.00 N ATOM 0 H GLN A 6 0.797 -8.364 0.578 1.00 25.00 H new ATOM 0 HA GLN A 6 -1.928 -7.559 0.250 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.212 -8.637 -1.639 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.356 -8.094 -2.204 1.00 25.00 H new ATOM 0 HG2 GLN A 6 0.774 -6.443 -0.769 1.00 25.00 H new ATOM 0 HG3 GLN A 6 0.140 -6.191 -2.383 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -0.627 -5.898 1.100 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -2.022 -4.839 0.875 1.00 25.00 H new ATOM 85 N ASP A 7 -1.265 -10.756 -0.186 1.00 16.66 N ATOM 86 CA ASP A 7 -1.930 -12.084 -0.302 1.00 16.66 C ATOM 87 C ASP A 7 -2.940 -12.245 0.833 1.00 16.66 C ATOM 88 O ASP A 7 -4.044 -12.713 0.637 1.00 16.66 O ATOM 89 CB ASP A 7 -0.881 -13.193 -0.212 1.00 16.66 C ATOM 90 CG ASP A 7 -0.058 -13.225 -1.501 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.518 -12.674 -2.487 1.00 50.00 O ATOM 92 OD2 ASP A 7 1.017 -13.802 -1.480 1.00 50.00 O ATOM 0 H ASP A 7 -0.248 -10.785 -0.111 1.00 16.66 H new ATOM 0 HA ASP A 7 -2.444 -12.150 -1.261 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.228 -13.022 0.644 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.367 -14.156 -0.055 1.00 16.66 H new ATOM 97 N LYS A 8 -2.568 -11.860 2.021 1.00 16.66 N ATOM 98 CA LYS A 8 -3.502 -11.986 3.174 1.00 16.66 C ATOM 99 C LYS A 8 -4.841 -11.346 2.816 1.00 16.66 C ATOM 100 O LYS A 8 -5.893 -11.824 3.194 1.00 16.66 O ATOM 101 CB LYS A 8 -2.909 -11.276 4.391 1.00 16.66 C ATOM 102 CG LYS A 8 -2.020 -12.250 5.164 1.00 16.66 C ATOM 103 CD LYS A 8 -1.964 -11.831 6.635 1.00 16.66 C ATOM 104 CE LYS A 8 -0.766 -12.502 7.311 1.00 50.00 C ATOM 105 NZ LYS A 8 0.497 -11.896 6.802 1.00 50.00 N ATOM 0 H LYS A 8 -1.655 -11.463 2.244 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.652 -13.040 3.406 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.328 -10.410 4.073 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.707 -10.906 5.034 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.412 -13.263 5.078 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -1.016 -12.259 4.739 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.879 -10.747 6.713 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.887 -12.115 7.141 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -0.830 -12.380 8.392 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.775 -13.573 7.110 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.249 -12.014 7.511 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.777 -12.368 5.918 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.348 -10.883 6.621 1.00 50.00 H new ATOM 119 N ALA A 9 -4.812 -10.271 2.082 1.00 16.66 N ATOM 120 CA ALA A 9 -6.085 -9.605 1.695 1.00 16.66 C ATOM 121 C ALA A 9 -6.941 -10.601 0.921 1.00 16.66 C ATOM 122 O ALA A 9 -8.120 -10.752 1.169 1.00 16.66 O ATOM 123 CB ALA A 9 -5.786 -8.388 0.818 1.00 16.66 C ATOM 0 H ALA A 9 -3.963 -9.825 1.734 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.617 -9.273 2.587 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.721 -7.903 0.537 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.165 -7.684 1.372 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.259 -8.708 -0.081 1.00 16.66 H new ATOM 129 N GLU A 10 -6.351 -11.290 -0.012 1.00 16.66 N ATOM 130 CA GLU A 10 -7.123 -12.288 -0.800 1.00 16.66 C ATOM 131 C GLU A 10 -7.547 -13.428 0.126 1.00 16.66 C ATOM 132 O GLU A 10 -8.670 -13.887 0.093 1.00 16.66 O ATOM 133 CB GLU A 10 -6.249 -12.840 -1.929 1.00 16.66 C ATOM 134 CG GLU A 10 -5.718 -11.682 -2.776 1.00 16.66 C ATOM 135 CD GLU A 10 -6.893 -10.912 -3.382 1.00 16.66 C ATOM 136 OE1 GLU A 10 -7.987 -11.452 -3.393 1.00 16.66 O ATOM 137 OE2 GLU A 10 -6.679 -9.796 -3.824 1.00 16.66 O ATOM 0 H GLU A 10 -5.366 -11.206 -0.264 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.005 -11.815 -1.232 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.419 -13.412 -1.514 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -6.828 -13.523 -2.550 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -5.111 -11.017 -2.162 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.072 -12.063 -3.567 1.00 16.66 H new ATOM 144 N ARG A 11 -6.651 -13.884 0.955 1.00 16.66 N ATOM 145 CA ARG A 11 -6.989 -14.990 1.892 1.00 16.66 C ATOM 146 C ARG A 11 -8.062 -14.517 2.874 1.00 16.66 C ATOM 147 O ARG A 11 -8.971 -15.245 3.218 1.00 16.66 O ATOM 148 CB ARG A 11 -5.736 -15.391 2.669 1.00 16.66 C ATOM 149 CG ARG A 11 -4.766 -16.116 1.735 1.00 16.66 C ATOM 150 CD ARG A 11 -3.708 -16.846 2.561 1.00 50.00 C ATOM 151 NE ARG A 11 -2.438 -16.912 1.787 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.048 -18.043 1.265 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.181 -18.787 1.894 1.00 50.00 N ATOM 154 NH2 ARG A 11 -2.526 -18.428 0.114 1.00 50.00 N ATOM 0 H ARG A 11 -5.695 -13.536 1.024 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.363 -15.845 1.328 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.259 -14.507 3.091 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -6.005 -16.038 3.504 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.309 -16.826 1.111 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.289 -15.402 1.064 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.545 -16.326 3.505 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -4.051 -17.851 2.805 1.00 50.00 H new ATOM 0 HE ARG A 11 -1.872 -16.072 1.664 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -0.808 -18.485 2.794 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -0.876 -19.671 1.486 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -3.204 -17.845 -0.377 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -2.222 -19.312 -0.295 1.00 50.00 H new ATOM 168 N GLU A 12 -7.958 -13.299 3.323 1.00 16.66 N ATOM 169 CA GLU A 12 -8.967 -12.767 4.282 1.00 16.66 C ATOM 170 C GLU A 12 -10.335 -12.710 3.601 1.00 16.66 C ATOM 171 O GLU A 12 -11.348 -13.023 4.195 1.00 16.66 O ATOM 172 CB GLU A 12 -8.558 -11.362 4.729 1.00 16.66 C ATOM 173 CG GLU A 12 -7.779 -11.451 6.043 1.00 16.66 C ATOM 174 CD GLU A 12 -7.683 -10.059 6.673 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.404 -9.180 6.231 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.891 -9.898 7.586 1.00 50.00 O ATOM 0 H GLU A 12 -7.217 -12.647 3.068 1.00 16.66 H new ATOM 0 HA GLU A 12 -9.021 -13.421 5.152 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.945 -10.889 3.962 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.442 -10.739 4.860 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -8.276 -12.138 6.727 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.781 -11.849 5.860 1.00 16.66 H new ATOM 183 N ARG A 13 -10.372 -12.320 2.358 1.00 16.66 N ATOM 184 CA ARG A 13 -11.675 -12.250 1.639 1.00 16.66 C ATOM 185 C ARG A 13 -12.186 -13.667 1.396 1.00 16.66 C ATOM 186 O ARG A 13 -13.367 -13.939 1.496 1.00 16.66 O ATOM 187 CB ARG A 13 -11.484 -11.538 0.299 1.00 16.66 C ATOM 188 CG ARG A 13 -10.946 -10.128 0.546 1.00 16.66 C ATOM 189 CD ARG A 13 -10.443 -9.535 -0.772 1.00 16.66 C ATOM 190 NE ARG A 13 -11.597 -9.006 -1.551 1.00 50.00 N ATOM 191 CZ ARG A 13 -12.078 -9.692 -2.552 1.00 50.00 C ATOM 192 NH1 ARG A 13 -11.273 -10.163 -3.466 1.00 50.00 N ATOM 193 NH2 ARG A 13 -13.361 -9.907 -2.639 1.00 50.00 N ATOM 0 H ARG A 13 -9.557 -12.047 1.809 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.397 -11.696 2.239 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.791 -12.099 -0.328 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.431 -11.489 -0.238 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.729 -9.497 0.965 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.137 -10.159 1.275 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.727 -8.737 -0.574 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -9.919 -10.297 -1.349 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.011 -8.108 -1.302 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -10.269 -9.995 -3.397 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -11.648 -10.699 -4.249 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -13.989 -9.539 -1.925 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -13.736 -10.443 -3.421 1.00 50.00 H new ATOM 207 N ILE A 14 -11.305 -14.575 1.088 1.00 16.66 N ATOM 208 CA ILE A 14 -11.733 -15.980 0.851 1.00 16.66 C ATOM 209 C ILE A 14 -12.132 -16.608 2.187 1.00 16.66 C ATOM 210 O ILE A 14 -13.150 -17.267 2.297 1.00 16.66 O ATOM 211 CB ILE A 14 -10.574 -16.767 0.237 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.090 -16.057 -1.028 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.045 -18.179 -0.119 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.637 -16.447 -1.308 1.00 50.00 C ATOM 0 H ILE A 14 -10.304 -14.404 0.990 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.582 -16.001 0.168 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.757 -16.828 0.956 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.720 -16.329 -1.874 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.171 -14.977 -0.905 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.218 -18.739 -0.556 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.390 -18.686 0.782 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -11.863 -18.120 -0.837 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.292 -15.941 -2.210 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.012 -16.152 -0.465 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.571 -17.526 -1.449 1.00 50.00 H new ATOM 226 N PHE A 15 -11.343 -16.405 3.208 1.00 16.66 N ATOM 227 CA PHE A 15 -11.685 -16.987 4.533 1.00 16.66 C ATOM 228 C PHE A 15 -12.915 -16.273 5.092 1.00 16.66 C ATOM 229 O PHE A 15 -13.759 -16.874 5.727 1.00 16.66 O ATOM 230 CB PHE A 15 -10.508 -16.816 5.495 1.00 16.66 C ATOM 231 CG PHE A 15 -10.873 -17.436 6.824 1.00 16.66 C ATOM 232 CD1 PHE A 15 -10.617 -18.794 7.053 1.00 16.66 C ATOM 233 CD2 PHE A 15 -11.475 -16.660 7.821 1.00 16.66 C ATOM 234 CE1 PHE A 15 -10.962 -19.374 8.279 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.822 -17.242 9.047 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.565 -18.601 9.276 1.00 16.66 C ATOM 0 H PHE A 15 -10.480 -15.863 3.180 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.898 -18.050 4.419 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.616 -17.292 5.088 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.275 -15.759 5.623 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -10.153 -19.393 6.283 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -11.672 -15.613 7.645 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -10.762 -20.421 8.455 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -12.288 -16.644 9.816 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.832 -19.050 10.221 1.00 16.66 H new ATOM 246 N LYS A 16 -13.027 -14.997 4.855 1.00 16.66 N ATOM 247 CA LYS A 16 -14.207 -14.246 5.364 1.00 16.66 C ATOM 248 C LYS A 16 -15.466 -14.770 4.675 1.00 16.66 C ATOM 249 O LYS A 16 -16.543 -14.767 5.238 1.00 16.66 O ATOM 250 CB LYS A 16 -14.037 -12.756 5.061 1.00 50.00 C ATOM 251 CG LYS A 16 -13.153 -12.116 6.133 1.00 50.00 C ATOM 252 CD LYS A 16 -13.074 -10.606 5.893 1.00 50.00 C ATOM 253 CE LYS A 16 -12.020 -9.996 6.820 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.480 -8.658 7.285 1.00 50.00 N ATOM 0 H LYS A 16 -12.352 -14.441 4.330 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.294 -14.383 6.442 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.588 -12.623 4.077 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.010 -12.266 5.036 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.561 -12.317 7.124 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.155 -12.552 6.105 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -12.818 -10.405 4.853 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.045 -10.147 6.077 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.850 -10.651 7.675 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.069 -9.903 6.295 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.763 -8.244 7.915 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -12.621 -8.035 6.464 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.377 -8.759 7.801 1.00 50.00 H new ATOM 268 N ARG A 17 -15.336 -15.228 3.460 1.00 16.66 N ATOM 269 CA ARG A 17 -16.522 -15.761 2.734 1.00 16.66 C ATOM 270 C ARG A 17 -16.938 -17.087 3.367 1.00 16.66 C ATOM 271 O ARG A 17 -18.109 -17.378 3.514 1.00 16.66 O ATOM 272 CB ARG A 17 -16.165 -15.985 1.263 1.00 16.66 C ATOM 273 CG ARG A 17 -15.995 -14.634 0.566 1.00 16.66 C ATOM 274 CD ARG A 17 -17.350 -14.159 0.039 1.00 50.00 C ATOM 275 NE ARG A 17 -17.171 -12.889 -0.720 1.00 50.00 N ATOM 276 CZ ARG A 17 -17.147 -11.747 -0.088 1.00 50.00 C ATOM 277 NH1 ARG A 17 -18.238 -11.041 0.023 1.00 50.00 N ATOM 278 NH2 ARG A 17 -16.032 -11.312 0.432 1.00 50.00 N ATOM 0 H ARG A 17 -14.459 -15.256 2.939 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.344 -15.048 2.798 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.245 -16.564 1.186 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -16.948 -16.563 0.772 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -15.587 -13.902 1.263 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.284 -14.723 -0.255 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -17.789 -14.921 -0.605 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -18.041 -14.005 0.868 1.00 50.00 H new ATOM 0 HE ARG A 17 -17.067 -12.912 -1.734 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -19.109 -11.381 -0.384 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -18.220 -10.149 0.517 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -15.179 -11.864 0.345 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -16.014 -10.420 0.926 1.00 50.00 H new ATOM 292 N PHE A 18 -15.985 -17.893 3.747 1.00 16.66 N ATOM 293 CA PHE A 18 -16.322 -19.200 4.377 1.00 16.66 C ATOM 294 C PHE A 18 -16.994 -18.953 5.726 1.00 16.66 C ATOM 295 O PHE A 18 -18.021 -19.524 6.033 1.00 16.66 O ATOM 296 CB PHE A 18 -15.043 -20.014 4.580 1.00 16.66 C ATOM 297 CG PHE A 18 -14.629 -20.638 3.269 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.332 -21.739 2.765 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.543 -20.116 2.557 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.948 -22.318 1.549 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.160 -20.694 1.342 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.862 -21.795 0.838 1.00 16.66 C ATOM 0 H PHE A 18 -14.988 -17.703 3.648 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.002 -19.754 3.729 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.247 -19.372 4.957 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.208 -20.790 5.328 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.170 -22.142 3.314 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.001 -19.267 2.946 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.490 -23.168 1.160 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.322 -20.290 0.793 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.566 -22.241 -0.100 1.00 16.66 H new ATOM 312 N ASP A 19 -16.426 -18.101 6.531 1.00 16.66 N ATOM 313 CA ASP A 19 -17.038 -17.810 7.857 1.00 16.66 C ATOM 314 C ASP A 19 -18.447 -17.246 7.636 1.00 16.66 C ATOM 315 O ASP A 19 -18.616 -16.104 7.257 1.00 16.66 O ATOM 316 CB ASP A 19 -16.175 -16.790 8.604 1.00 16.66 C ATOM 317 CG ASP A 19 -16.397 -16.945 10.104 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.177 -17.800 10.472 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.779 -16.210 10.857 1.00 16.66 O ATOM 0 H ASP A 19 -15.565 -17.593 6.329 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.099 -18.722 8.451 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.123 -16.941 8.363 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.432 -15.779 8.289 1.00 16.66 H new ATOM 324 N ALA A 20 -19.457 -18.049 7.844 1.00 16.66 N ATOM 325 CA ALA A 20 -20.856 -17.576 7.619 1.00 16.66 C ATOM 326 C ALA A 20 -21.268 -16.548 8.679 1.00 16.66 C ATOM 327 O ALA A 20 -21.763 -15.488 8.357 1.00 16.66 O ATOM 328 CB ALA A 20 -21.807 -18.771 7.681 1.00 50.00 C ATOM 0 H ALA A 20 -19.374 -19.015 8.161 1.00 16.66 H new ATOM 0 HA ALA A 20 -20.907 -17.101 6.639 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.830 -18.431 7.517 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.536 -19.492 6.909 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.734 -19.244 8.661 1.00 50.00 H new ATOM 334 N ASN A 21 -21.083 -16.845 9.937 1.00 16.66 N ATOM 335 CA ASN A 21 -21.488 -15.865 10.985 1.00 16.66 C ATOM 336 C ASN A 21 -20.341 -14.888 11.247 1.00 16.66 C ATOM 337 O ASN A 21 -20.554 -13.740 11.581 1.00 16.66 O ATOM 338 CB ASN A 21 -21.871 -16.600 12.277 1.00 16.66 C ATOM 339 CG ASN A 21 -20.662 -17.331 12.864 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.742 -17.674 12.152 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.655 -17.579 14.144 1.00 16.66 N ATOM 0 H ASN A 21 -20.674 -17.713 10.282 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.356 -15.306 10.636 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.260 -15.888 13.005 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.669 -17.314 12.072 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.866 -18.070 14.564 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.439 -17.282 14.725 1.00 16.66 H new ATOM 348 N GLY A 22 -19.125 -15.328 11.084 1.00 16.66 N ATOM 349 CA GLY A 22 -17.970 -14.414 11.307 1.00 16.66 C ATOM 350 C GLY A 22 -17.468 -14.544 12.746 1.00 16.66 C ATOM 351 O GLY A 22 -16.996 -13.591 13.334 1.00 16.66 O ATOM 0 H GLY A 22 -18.881 -16.279 10.807 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.167 -14.654 10.610 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.267 -13.384 11.109 1.00 16.66 H new ATOM 355 N ASP A 23 -17.548 -15.713 13.316 1.00 16.66 N ATOM 356 CA ASP A 23 -17.052 -15.883 14.712 1.00 16.66 C ATOM 357 C ASP A 23 -15.553 -16.198 14.677 1.00 16.66 C ATOM 358 O ASP A 23 -14.939 -16.460 15.692 1.00 16.66 O ATOM 359 CB ASP A 23 -17.814 -17.012 15.416 1.00 16.66 C ATOM 360 CG ASP A 23 -17.597 -18.335 14.679 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.228 -18.292 13.522 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.814 -19.370 15.289 1.00 16.66 O ATOM 0 H ASP A 23 -17.932 -16.552 12.882 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.218 -14.961 15.269 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.474 -17.102 16.448 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.878 -16.777 15.450 1.00 16.66 H new ATOM 367 N GLY A 24 -14.957 -16.157 13.512 1.00 16.66 N ATOM 368 CA GLY A 24 -13.496 -16.434 13.407 1.00 16.66 C ATOM 369 C GLY A 24 -13.254 -17.919 13.130 1.00 16.66 C ATOM 370 O GLY A 24 -12.129 -18.345 12.952 1.00 16.66 O ATOM 0 H GLY A 24 -15.421 -15.943 12.629 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.062 -15.833 12.608 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -12.997 -16.144 14.332 1.00 16.66 H new ATOM 374 N LYS A 25 -14.285 -18.717 13.105 1.00 16.66 N ATOM 375 CA LYS A 25 -14.083 -20.172 12.856 1.00 16.66 C ATOM 376 C LYS A 25 -15.090 -20.677 11.817 1.00 16.66 C ATOM 377 O LYS A 25 -16.236 -20.250 11.773 1.00 16.66 O ATOM 378 CB LYS A 25 -14.260 -20.943 14.167 1.00 50.00 C ATOM 379 CG LYS A 25 -15.685 -20.762 14.685 1.00 50.00 C ATOM 380 CD LYS A 25 -15.998 -21.865 15.700 1.00 50.00 C ATOM 381 CE LYS A 25 -17.511 -22.074 15.780 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.031 -21.463 17.036 1.00 50.00 N ATOM 0 H LYS A 25 -15.253 -18.427 13.245 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.075 -20.331 12.473 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.053 -22.001 14.008 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.546 -20.586 14.909 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -15.793 -19.782 15.150 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.393 -20.802 13.857 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.508 -22.793 15.407 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.606 -21.593 16.680 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.997 -21.623 14.915 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.744 -23.139 15.757 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -18.932 -21.914 17.294 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -17.342 -21.604 17.802 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -18.183 -20.445 16.890 1.00 50.00 H new ATOM 396 N ILE A 26 -14.664 -21.591 10.986 1.00 16.66 N ATOM 397 CA ILE A 26 -15.570 -22.149 9.944 1.00 16.66 C ATOM 398 C ILE A 26 -15.907 -23.603 10.277 1.00 16.66 C ATOM 399 O ILE A 26 -15.044 -24.398 10.589 1.00 16.66 O ATOM 400 CB ILE A 26 -14.873 -22.089 8.586 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.118 -20.767 8.459 1.00 16.66 C ATOM 402 CG2 ILE A 26 -15.917 -22.190 7.472 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.461 -20.693 7.082 1.00 16.66 C ATOM 0 H ILE A 26 -13.720 -21.977 10.986 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.489 -21.564 9.913 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.170 -22.918 8.501 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.802 -19.929 8.594 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.362 -20.690 9.240 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.420 -22.147 6.503 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.455 -23.133 7.562 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.620 -21.361 7.556 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -12.921 -19.751 6.987 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -12.765 -21.524 6.966 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.228 -20.751 6.309 1.00 16.66 H new ATOM 415 N SER A 27 -17.159 -23.949 10.209 1.00 16.66 N ATOM 416 CA SER A 27 -17.576 -25.344 10.515 1.00 16.66 C ATOM 417 C SER A 27 -17.940 -26.049 9.211 1.00 16.66 C ATOM 418 O SER A 27 -18.105 -25.422 8.184 1.00 16.66 O ATOM 419 CB SER A 27 -18.795 -25.321 11.438 1.00 50.00 C ATOM 420 OG SER A 27 -19.971 -25.130 10.664 1.00 50.00 O ATOM 0 H SER A 27 -17.919 -23.320 9.952 1.00 16.66 H new ATOM 0 HA SER A 27 -16.761 -25.874 11.008 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.861 -26.256 11.995 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.695 -24.520 12.171 1.00 50.00 H new ATOM 0 HG SER A 27 -20.753 -25.117 11.255 1.00 50.00 H new ATOM 426 N ALA A 28 -18.070 -27.345 9.237 1.00 16.66 N ATOM 427 CA ALA A 28 -18.425 -28.068 7.988 1.00 16.66 C ATOM 428 C ALA A 28 -19.637 -27.394 7.350 1.00 16.66 C ATOM 429 O ALA A 28 -19.677 -27.167 6.159 1.00 16.66 O ATOM 430 CB ALA A 28 -18.756 -29.526 8.312 1.00 50.00 C ATOM 0 H ALA A 28 -17.947 -27.931 10.063 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.583 -28.041 7.296 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -19.016 -30.053 7.394 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.890 -30.002 8.771 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.599 -29.563 9.002 1.00 50.00 H new ATOM 436 N ALA A 29 -20.626 -27.075 8.134 1.00 16.66 N ATOM 437 CA ALA A 29 -21.835 -26.416 7.570 1.00 16.66 C ATOM 438 C ALA A 29 -21.429 -25.128 6.857 1.00 16.66 C ATOM 439 O ALA A 29 -21.944 -24.801 5.806 1.00 16.66 O ATOM 440 CB ALA A 29 -22.815 -26.090 8.700 1.00 50.00 C ATOM 0 H ALA A 29 -20.650 -27.242 9.140 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.315 -27.088 6.858 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.700 -25.607 8.286 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.107 -27.011 9.206 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.337 -25.420 9.414 1.00 50.00 H new ATOM 446 N GLU A 30 -20.510 -24.393 7.416 1.00 16.66 N ATOM 447 CA GLU A 30 -20.077 -23.129 6.763 1.00 16.66 C ATOM 448 C GLU A 30 -19.175 -23.459 5.576 1.00 16.66 C ATOM 449 O GLU A 30 -19.415 -23.031 4.465 1.00 16.66 O ATOM 450 CB GLU A 30 -19.318 -22.263 7.769 1.00 16.66 C ATOM 451 CG GLU A 30 -20.263 -21.856 8.903 1.00 16.66 C ATOM 452 CD GLU A 30 -19.510 -20.975 9.903 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.486 -21.403 10.382 1.00 16.66 O ATOM 454 OE2 GLU A 30 -19.972 -19.888 10.175 1.00 16.66 O ATOM 0 H GLU A 30 -20.041 -24.613 8.295 1.00 16.66 H new ATOM 0 HA GLU A 30 -20.951 -22.580 6.412 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.467 -22.813 8.170 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.921 -21.376 7.276 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.120 -21.317 8.500 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.651 -22.743 9.404 1.00 16.66 H new ATOM 461 N LEU A 31 -18.137 -24.214 5.797 1.00 16.66 N ATOM 462 CA LEU A 31 -17.226 -24.565 4.675 1.00 16.66 C ATOM 463 C LEU A 31 -18.012 -25.352 3.629 1.00 16.66 C ATOM 464 O LEU A 31 -17.899 -25.117 2.442 1.00 16.66 O ATOM 465 CB LEU A 31 -16.072 -25.418 5.205 1.00 16.66 C ATOM 466 CG LEU A 31 -14.961 -25.487 4.156 1.00 16.66 C ATOM 467 CD1 LEU A 31 -13.679 -26.016 4.803 1.00 16.66 C ATOM 468 CD2 LEU A 31 -15.384 -26.427 3.025 1.00 16.66 C ATOM 0 H LEU A 31 -17.880 -24.603 6.705 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.822 -23.658 4.225 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.686 -24.991 6.131 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.426 -26.421 5.440 1.00 16.66 H new ATOM 0 HG LEU A 31 -14.781 -24.490 3.753 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -12.888 -26.065 4.055 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -13.376 -25.348 5.609 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.859 -27.012 5.206 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -14.592 -26.476 2.277 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -15.565 -27.423 3.428 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -16.297 -26.052 2.562 1.00 16.66 H new ATOM 480 N GLY A 32 -18.816 -26.280 4.065 1.00 16.66 N ATOM 481 CA GLY A 32 -19.621 -27.078 3.102 1.00 16.66 C ATOM 482 C GLY A 32 -20.593 -26.149 2.376 1.00 16.66 C ATOM 483 O GLY A 32 -20.756 -26.221 1.175 1.00 16.66 O ATOM 0 H GLY A 32 -18.950 -26.520 5.047 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.967 -27.574 2.385 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.169 -27.860 3.627 1.00 16.66 H new ATOM 487 N GLU A 33 -21.242 -25.281 3.100 1.00 16.66 N ATOM 488 CA GLU A 33 -22.208 -24.349 2.459 1.00 16.66 C ATOM 489 C GLU A 33 -21.493 -23.519 1.397 1.00 16.66 C ATOM 490 O GLU A 33 -22.003 -23.310 0.314 1.00 16.66 O ATOM 491 CB GLU A 33 -22.800 -23.422 3.522 1.00 50.00 C ATOM 492 CG GLU A 33 -24.065 -24.054 4.107 1.00 50.00 C ATOM 493 CD GLU A 33 -24.809 -23.016 4.951 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.331 -21.897 5.035 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.844 -23.359 5.499 1.00 50.00 O ATOM 0 H GLU A 33 -21.144 -25.177 4.110 1.00 16.66 H new ATOM 0 HA GLU A 33 -23.008 -24.922 1.989 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.070 -23.246 4.312 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.035 -22.452 3.083 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.709 -24.415 3.305 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.804 -24.917 4.719 1.00 50.00 H new ATOM 502 N ALA A 34 -20.312 -23.054 1.687 1.00 16.66 N ATOM 503 CA ALA A 34 -19.570 -22.252 0.678 1.00 16.66 C ATOM 504 C ALA A 34 -19.085 -23.193 -0.420 1.00 16.66 C ATOM 505 O ALA A 34 -19.110 -22.873 -1.592 1.00 16.66 O ATOM 506 CB ALA A 34 -18.370 -21.574 1.340 1.00 50.00 C ATOM 0 H ALA A 34 -19.830 -23.194 2.575 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.220 -21.485 0.257 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.829 -20.987 0.598 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.717 -20.918 2.138 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.707 -22.333 1.756 1.00 50.00 H new ATOM 512 N LEU A 35 -18.642 -24.360 -0.041 1.00 99.99 N ATOM 513 CA LEU A 35 -18.152 -25.339 -1.048 1.00 99.99 C ATOM 514 C LEU A 35 -19.266 -25.643 -2.050 1.00 99.99 C ATOM 515 O LEU A 35 -19.015 -25.914 -3.207 1.00 99.99 O ATOM 516 CB LEU A 35 -17.738 -26.630 -0.341 1.00 99.99 C ATOM 517 CG LEU A 35 -16.215 -26.761 -0.373 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.804 -28.083 0.280 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.732 -26.734 -1.824 1.00 99.99 C ATOM 0 H LEU A 35 -18.599 -24.678 0.927 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.295 -24.920 -1.575 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.092 -26.622 0.690 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -18.198 -27.489 -0.830 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.766 -25.932 0.174 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.718 -28.178 0.258 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.149 -28.101 1.314 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -16.252 -28.913 -0.266 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.646 -26.827 -1.848 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -16.180 -27.563 -2.372 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -16.025 -25.792 -2.288 1.00 99.99 H new ATOM 531 N LYS A 36 -20.496 -25.605 -1.616 1.00 99.99 N ATOM 532 CA LYS A 36 -21.620 -25.897 -2.549 1.00 99.99 C ATOM 533 C LYS A 36 -21.395 -25.154 -3.867 1.00 99.99 C ATOM 534 O LYS A 36 -21.872 -25.558 -4.909 1.00 99.99 O ATOM 535 CB LYS A 36 -22.936 -25.438 -1.920 1.00 99.99 C ATOM 536 CG LYS A 36 -23.841 -26.649 -1.686 1.00 99.99 C ATOM 537 CD LYS A 36 -24.994 -26.253 -0.764 1.00 99.99 C ATOM 538 CE LYS A 36 -24.944 -27.099 0.510 1.00 99.99 C ATOM 539 NZ LYS A 36 -25.613 -26.364 1.621 1.00 99.99 N ATOM 0 H LYS A 36 -20.770 -25.385 -0.659 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.665 -26.969 -2.741 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.742 -24.928 -0.976 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.433 -24.721 -2.573 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.230 -27.015 -2.636 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.269 -27.463 -1.241 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -24.926 -25.195 -0.513 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.947 -26.399 -1.273 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -25.438 -28.056 0.343 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -23.909 -27.316 0.775 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -25.212 -26.669 2.531 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -25.462 -25.342 1.502 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -26.633 -26.567 1.607 1.00 99.99 H new ATOM 553 N THR A 37 -20.671 -24.069 -3.830 1.00 99.99 N ATOM 554 CA THR A 37 -20.416 -23.299 -5.079 1.00 99.99 C ATOM 555 C THR A 37 -19.854 -24.236 -6.146 1.00 99.99 C ATOM 556 O THR A 37 -20.001 -24.006 -7.330 1.00 99.99 O ATOM 557 CB THR A 37 -19.404 -22.188 -4.790 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.362 -21.289 -5.890 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.018 -22.799 -4.574 1.00 99.99 C ATOM 0 H THR A 37 -20.245 -23.683 -2.988 1.00 99.99 H new ATOM 0 HA THR A 37 -21.348 -22.860 -5.436 1.00 99.99 H new ATOM 0 HB THR A 37 -19.704 -21.649 -3.891 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.613 -20.391 -5.588 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.299 -22.006 -4.368 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.051 -23.487 -3.729 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.715 -23.340 -5.471 1.00 99.99 H new ATOM 567 N LEU A 38 -19.212 -25.293 -5.735 1.00 16.66 N ATOM 568 CA LEU A 38 -18.642 -26.247 -6.727 1.00 16.66 C ATOM 569 C LEU A 38 -19.782 -26.907 -7.504 1.00 16.66 C ATOM 570 O LEU A 38 -19.634 -27.272 -8.655 1.00 16.66 O ATOM 571 CB LEU A 38 -17.831 -27.321 -5.998 1.00 50.00 C ATOM 572 CG LEU A 38 -16.584 -26.685 -5.380 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.648 -27.784 -4.875 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.861 -25.846 -6.436 1.00 50.00 C ATOM 0 H LEU A 38 -19.057 -25.538 -4.757 1.00 16.66 H new ATOM 0 HA LEU A 38 -17.991 -25.711 -7.417 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.438 -27.786 -5.221 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.544 -28.110 -6.693 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.878 -26.046 -4.547 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -14.760 -27.331 -4.435 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.162 -28.382 -4.122 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.355 -28.423 -5.708 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.973 -25.393 -5.995 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.567 -26.484 -7.269 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.527 -25.062 -6.796 1.00 50.00 H new ATOM 586 N GLY A 39 -20.920 -27.060 -6.885 1.00 16.66 N ATOM 587 CA GLY A 39 -22.073 -27.693 -7.586 1.00 16.66 C ATOM 588 C GLY A 39 -21.751 -29.157 -7.892 1.00 16.66 C ATOM 589 O GLY A 39 -22.477 -29.825 -8.602 1.00 16.66 O ATOM 0 H GLY A 39 -21.102 -26.774 -5.923 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -22.967 -27.629 -6.966 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.287 -27.157 -8.511 1.00 16.66 H new ATOM 593 N SER A 40 -20.669 -29.665 -7.366 1.00 16.66 N ATOM 594 CA SER A 40 -20.311 -31.085 -7.634 1.00 16.66 C ATOM 595 C SER A 40 -19.429 -31.619 -6.505 1.00 16.66 C ATOM 596 O SER A 40 -18.390 -32.203 -6.739 1.00 16.66 O ATOM 597 CB SER A 40 -19.554 -31.175 -8.959 1.00 16.66 C ATOM 598 OG SER A 40 -20.432 -31.625 -9.979 1.00 16.66 O ATOM 0 H SER A 40 -20.020 -29.158 -6.764 1.00 16.66 H new ATOM 0 HA SER A 40 -21.221 -31.682 -7.691 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.144 -30.200 -9.222 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.711 -31.860 -8.862 1.00 16.66 H new ATOM 0 HG SER A 40 -21.308 -31.199 -9.868 1.00 16.66 H new ATOM 604 N ILE A 41 -19.836 -31.427 -5.282 1.00 16.66 N ATOM 605 CA ILE A 41 -19.025 -31.930 -4.140 1.00 16.66 C ATOM 606 C ILE A 41 -19.940 -32.651 -3.147 1.00 16.66 C ATOM 607 O ILE A 41 -21.147 -32.524 -3.196 1.00 16.66 O ATOM 608 CB ILE A 41 -18.326 -30.751 -3.448 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.148 -31.270 -2.623 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.309 -30.024 -2.526 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.222 -32.097 -3.517 1.00 16.66 C ATOM 0 H ILE A 41 -20.696 -30.943 -5.024 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.270 -32.627 -4.505 1.00 16.66 H new ATOM 0 HB ILE A 41 -17.967 -30.056 -4.207 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -16.600 -30.435 -2.188 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -17.511 -31.879 -1.795 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.803 -29.190 -2.040 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.148 -29.648 -3.112 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.677 -30.716 -1.768 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.382 -32.467 -2.928 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -16.774 -32.941 -3.931 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -15.849 -31.474 -4.330 1.00 16.66 H new ATOM 623 N THR A 42 -19.377 -33.402 -2.243 1.00 16.66 N ATOM 624 CA THR A 42 -20.216 -34.124 -1.248 1.00 16.66 C ATOM 625 C THR A 42 -19.900 -33.585 0.142 1.00 16.66 C ATOM 626 O THR A 42 -18.894 -32.934 0.348 1.00 16.66 O ATOM 627 CB THR A 42 -19.910 -35.633 -1.285 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.167 -35.999 -0.129 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.096 -35.978 -2.535 1.00 16.66 C ATOM 0 H THR A 42 -18.372 -33.547 -2.150 1.00 16.66 H new ATOM 0 HA THR A 42 -21.269 -33.971 -1.486 1.00 16.66 H new ATOM 0 HB THR A 42 -20.852 -36.181 -1.308 1.00 16.66 H new ATOM 0 HG1 THR A 42 -18.975 -36.960 -0.154 1.00 16.66 H new ATOM 0 HG21 THR A 42 -18.886 -37.048 -2.549 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.664 -35.708 -3.425 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.157 -35.424 -2.522 1.00 16.66 H new ATOM 637 N PRO A 43 -20.762 -33.878 1.118 1.00 16.66 N ATOM 638 CA PRO A 43 -20.553 -33.438 2.495 1.00 16.66 C ATOM 639 C PRO A 43 -19.361 -34.171 3.102 1.00 16.66 C ATOM 640 O PRO A 43 -18.629 -33.637 3.913 1.00 16.66 O ATOM 641 CB PRO A 43 -21.847 -33.839 3.203 1.00 50.00 C ATOM 642 CG PRO A 43 -22.387 -34.964 2.384 1.00 50.00 C ATOM 643 CD PRO A 43 -22.000 -34.662 0.963 1.00 50.00 C ATOM 0 HA PRO A 43 -20.341 -32.372 2.578 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.657 -34.151 4.230 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.550 -33.007 3.247 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -21.971 -35.918 2.708 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.470 -35.037 2.487 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -21.832 -35.573 0.388 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.774 -34.096 0.445 1.00 50.00 H new ATOM 651 N ASP A 44 -19.168 -35.402 2.713 1.00 16.66 N ATOM 652 CA ASP A 44 -18.034 -36.195 3.259 1.00 16.66 C ATOM 653 C ASP A 44 -16.707 -35.562 2.843 1.00 16.66 C ATOM 654 O ASP A 44 -15.704 -35.714 3.513 1.00 16.66 O ATOM 655 CB ASP A 44 -18.105 -37.624 2.719 1.00 50.00 C ATOM 656 CG ASP A 44 -17.844 -38.613 3.857 1.00 50.00 C ATOM 657 OD1 ASP A 44 -17.591 -38.162 4.962 1.00 50.00 O ATOM 658 OD2 ASP A 44 -17.901 -39.805 3.603 1.00 50.00 O ATOM 0 H ASP A 44 -19.752 -35.894 2.036 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.099 -36.209 4.347 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -19.085 -37.810 2.279 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.369 -37.762 1.927 1.00 50.00 H new ATOM 663 N GLU A 45 -16.680 -34.846 1.750 1.00 16.66 N ATOM 664 CA GLU A 45 -15.408 -34.208 1.321 1.00 16.66 C ATOM 665 C GLU A 45 -15.227 -32.919 2.110 1.00 16.66 C ATOM 666 O GLU A 45 -14.138 -32.574 2.523 1.00 16.66 O ATOM 667 CB GLU A 45 -15.470 -33.893 -0.176 1.00 16.66 C ATOM 668 CG GLU A 45 -15.680 -35.189 -0.963 1.00 16.66 C ATOM 669 CD GLU A 45 -14.435 -36.069 -0.842 1.00 16.66 C ATOM 670 OE1 GLU A 45 -13.427 -35.573 -0.365 1.00 16.66 O ATOM 671 OE2 GLU A 45 -14.509 -37.223 -1.231 1.00 16.66 O ATOM 0 H GLU A 45 -17.481 -34.678 1.141 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.570 -34.880 1.505 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.284 -33.196 -0.378 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.548 -33.407 -0.495 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -16.552 -35.721 -0.582 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -15.877 -34.962 -2.011 1.00 16.66 H new ATOM 678 N VAL A 46 -16.297 -32.210 2.333 1.00 16.66 N ATOM 679 CA VAL A 46 -16.200 -30.947 3.109 1.00 16.66 C ATOM 680 C VAL A 46 -15.750 -31.277 4.530 1.00 16.66 C ATOM 681 O VAL A 46 -14.987 -30.554 5.138 1.00 16.66 O ATOM 682 CB VAL A 46 -17.565 -30.262 3.144 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.525 -29.084 4.119 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.906 -29.757 1.743 1.00 50.00 C ATOM 0 H VAL A 46 -17.234 -32.452 2.011 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.479 -30.276 2.641 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.323 -30.972 3.473 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.500 -28.597 4.142 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -17.277 -29.446 5.117 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.770 -28.368 3.794 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.879 -29.267 1.760 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -17.147 -29.046 1.418 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.935 -30.598 1.050 1.00 50.00 H new ATOM 694 N LYS A 47 -16.206 -32.379 5.055 1.00 16.66 N ATOM 695 CA LYS A 47 -15.794 -32.775 6.428 1.00 16.66 C ATOM 696 C LYS A 47 -14.345 -33.251 6.378 1.00 16.66 C ATOM 697 O LYS A 47 -13.562 -32.995 7.270 1.00 16.66 O ATOM 698 CB LYS A 47 -16.694 -33.905 6.931 1.00 16.66 C ATOM 699 CG LYS A 47 -18.093 -33.354 7.216 1.00 16.66 C ATOM 700 CD LYS A 47 -18.960 -34.454 7.830 1.00 16.66 C ATOM 701 CE LYS A 47 -20.414 -33.979 7.894 1.00 50.00 C ATOM 702 NZ LYS A 47 -21.188 -34.870 8.804 1.00 50.00 N ATOM 0 H LYS A 47 -16.847 -33.023 4.591 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.885 -31.927 7.106 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.749 -34.699 6.187 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.273 -34.344 7.835 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -18.029 -32.505 7.896 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.547 -32.991 6.294 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.889 -35.364 7.234 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.602 -34.699 8.830 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.456 -32.950 8.252 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.855 -33.988 6.897 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -22.176 -34.548 8.848 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -21.158 -35.845 8.444 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.771 -34.840 9.756 1.00 50.00 H new ATOM 716 N HIS A 48 -13.981 -33.934 5.327 1.00 16.66 N ATOM 717 CA HIS A 48 -12.581 -34.419 5.200 1.00 16.66 C ATOM 718 C HIS A 48 -11.655 -33.217 5.012 1.00 16.66 C ATOM 719 O HIS A 48 -10.564 -33.169 5.545 1.00 16.66 O ATOM 720 CB HIS A 48 -12.469 -35.348 3.990 1.00 16.66 C ATOM 721 CG HIS A 48 -11.035 -35.763 3.803 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.478 -35.946 2.548 1.00 16.66 N ATOM 723 CD2 HIS A 48 -10.034 -36.034 4.703 1.00 16.66 C ATOM 724 CE1 HIS A 48 -9.194 -36.311 2.724 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.872 -36.379 4.018 1.00 50.00 N ATOM 0 H HIS A 48 -14.596 -34.177 4.550 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.296 -34.967 6.098 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -13.097 -36.227 4.135 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.831 -34.842 3.095 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -10.133 -35.987 5.777 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.508 -36.523 1.917 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.968 -36.630 4.419 1.00 50.00 H new ATOM 733 N MET A 49 -12.088 -32.236 4.264 1.00 16.66 N ATOM 734 CA MET A 49 -11.235 -31.037 4.055 1.00 16.66 C ATOM 735 C MET A 49 -10.974 -30.382 5.409 1.00 16.66 C ATOM 736 O MET A 49 -9.856 -30.050 5.748 1.00 16.66 O ATOM 737 CB MET A 49 -11.959 -30.050 3.139 1.00 16.66 C ATOM 738 CG MET A 49 -11.638 -30.375 1.678 1.00 16.66 C ATOM 739 SD MET A 49 -11.576 -28.842 0.718 1.00 16.66 S ATOM 740 CE MET A 49 -12.425 -29.461 -0.756 1.00 16.66 C ATOM 0 H MET A 49 -12.992 -32.216 3.792 1.00 16.66 H new ATOM 0 HA MET A 49 -10.291 -31.326 3.593 1.00 16.66 H new ATOM 0 HB2 MET A 49 -13.035 -30.105 3.306 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.652 -29.030 3.371 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.683 -30.897 1.612 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.396 -31.043 1.268 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.625 -28.632 -1.435 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.795 -30.197 -1.257 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.366 -29.927 -0.465 1.00 16.66 H new ATOM 750 N MET A 50 -12.004 -30.203 6.185 1.00 16.66 N ATOM 751 CA MET A 50 -11.832 -29.579 7.522 1.00 16.66 C ATOM 752 C MET A 50 -10.901 -30.448 8.364 1.00 16.66 C ATOM 753 O MET A 50 -9.988 -29.965 9.001 1.00 16.66 O ATOM 754 CB MET A 50 -13.194 -29.472 8.204 1.00 16.66 C ATOM 755 CG MET A 50 -13.926 -28.235 7.683 1.00 16.66 C ATOM 756 SD MET A 50 -15.329 -27.866 8.762 1.00 16.66 S ATOM 757 CE MET A 50 -14.387 -27.103 10.103 1.00 50.00 C ATOM 0 H MET A 50 -12.961 -30.464 5.949 1.00 16.66 H new ATOM 0 HA MET A 50 -11.401 -28.583 7.416 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.783 -30.367 8.006 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.068 -29.405 9.285 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.246 -27.384 7.649 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.273 -28.407 6.664 1.00 16.66 H new ATOM 0 HE1 MET A 50 -15.074 -26.697 10.845 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.748 -27.852 10.571 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.770 -26.299 9.702 1.00 50.00 H new ATOM 767 N ALA A 51 -11.123 -31.730 8.367 1.00 16.66 N ATOM 768 CA ALA A 51 -10.249 -32.638 9.161 1.00 16.66 C ATOM 769 C ALA A 51 -8.802 -32.487 8.685 1.00 16.66 C ATOM 770 O ALA A 51 -7.867 -32.811 9.390 1.00 16.66 O ATOM 771 CB ALA A 51 -10.703 -34.086 8.967 1.00 50.00 C ATOM 0 H ALA A 51 -11.874 -32.191 7.853 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.316 -32.379 10.218 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -10.063 -34.749 9.549 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.735 -34.192 9.302 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.636 -34.350 7.912 1.00 50.00 H new ATOM 777 N GLU A 52 -8.613 -31.994 7.491 1.00 16.66 N ATOM 778 CA GLU A 52 -7.229 -31.815 6.968 1.00 16.66 C ATOM 779 C GLU A 52 -6.781 -30.375 7.219 1.00 16.66 C ATOM 780 O GLU A 52 -5.634 -30.112 7.520 1.00 16.66 O ATOM 781 CB GLU A 52 -7.208 -32.103 5.465 1.00 16.66 C ATOM 782 CG GLU A 52 -7.105 -33.613 5.235 1.00 16.66 C ATOM 783 CD GLU A 52 -6.624 -33.878 3.808 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.473 -32.921 3.067 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.414 -35.034 3.480 1.00 16.66 O ATOM 0 H GLU A 52 -9.357 -31.708 6.855 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.553 -32.503 7.475 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -8.112 -31.714 4.997 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.364 -31.595 4.999 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.413 -34.055 5.952 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -8.075 -34.084 5.397 1.00 16.66 H new ATOM 792 N ILE A 53 -7.685 -29.445 7.103 1.00 16.66 N ATOM 793 CA ILE A 53 -7.334 -28.020 7.336 1.00 16.66 C ATOM 794 C ILE A 53 -7.323 -27.735 8.839 1.00 16.66 C ATOM 795 O ILE A 53 -6.562 -26.923 9.325 1.00 16.66 O ATOM 796 CB ILE A 53 -8.378 -27.138 6.660 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.387 -27.423 5.158 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.040 -25.671 6.909 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.523 -26.643 4.500 1.00 50.00 C ATOM 0 H ILE A 53 -8.660 -29.613 6.855 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.347 -27.810 6.923 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.364 -27.353 7.072 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.432 -27.138 4.717 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.514 -28.491 4.980 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.785 -25.039 6.426 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.038 -25.475 7.981 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.055 -25.450 6.497 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.531 -26.845 3.429 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.474 -26.950 4.934 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.376 -25.576 4.667 1.00 50.00 H new ATOM 811 N ASP A 54 -8.164 -28.404 9.578 1.00 16.66 N ATOM 812 CA ASP A 54 -8.218 -28.191 11.049 1.00 16.66 C ATOM 813 C ASP A 54 -6.853 -28.536 11.655 1.00 16.66 C ATOM 814 O ASP A 54 -6.521 -29.689 11.847 1.00 16.66 O ATOM 815 CB ASP A 54 -9.299 -29.109 11.627 1.00 16.66 C ATOM 816 CG ASP A 54 -9.805 -28.561 12.964 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.306 -27.536 13.392 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.694 -29.174 13.532 1.00 16.66 O ATOM 0 H ASP A 54 -8.822 -29.096 9.220 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.455 -27.153 11.281 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.128 -29.193 10.924 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.897 -30.112 11.767 1.00 16.66 H new ATOM 823 N THR A 55 -6.054 -27.543 11.941 1.00 16.66 N ATOM 824 CA THR A 55 -4.700 -27.805 12.513 1.00 16.66 C ATOM 825 C THR A 55 -4.814 -28.371 13.929 1.00 16.66 C ATOM 826 O THR A 55 -4.160 -29.336 14.275 1.00 16.66 O ATOM 827 CB THR A 55 -3.909 -26.496 12.557 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.639 -25.530 13.298 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.683 -25.988 11.132 1.00 50.00 C ATOM 0 H THR A 55 -6.281 -26.558 11.803 1.00 16.66 H new ATOM 0 HA THR A 55 -4.188 -28.533 11.883 1.00 16.66 H new ATOM 0 HB THR A 55 -2.945 -26.667 13.035 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.595 -25.740 13.257 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.120 -25.055 11.163 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.123 -26.732 10.565 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.645 -25.814 10.651 1.00 50.00 H new ATOM 837 N ASP A 56 -5.632 -27.782 14.751 1.00 16.66 N ATOM 838 CA ASP A 56 -5.776 -28.292 16.145 1.00 16.66 C ATOM 839 C ASP A 56 -6.825 -29.406 16.174 1.00 16.66 C ATOM 840 O ASP A 56 -6.684 -30.392 16.869 1.00 16.66 O ATOM 841 CB ASP A 56 -6.196 -27.143 17.071 1.00 16.66 C ATOM 842 CG ASP A 56 -7.703 -26.903 16.955 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.119 -26.327 15.962 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.414 -27.302 17.859 1.00 16.66 O ATOM 0 H ASP A 56 -6.207 -26.971 14.522 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.823 -28.693 16.490 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -5.936 -27.382 18.102 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.653 -26.235 16.807 1.00 16.66 H new ATOM 849 N GLY A 57 -7.870 -29.258 15.409 1.00 16.66 N ATOM 850 CA GLY A 57 -8.923 -30.310 15.374 1.00 16.66 C ATOM 851 C GLY A 57 -10.117 -29.905 16.244 1.00 16.66 C ATOM 852 O GLY A 57 -10.840 -30.747 16.739 1.00 16.66 O ATOM 0 H GLY A 57 -8.040 -28.453 14.806 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.252 -30.470 14.347 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.512 -31.256 15.728 1.00 16.66 H new ATOM 856 N ASP A 58 -10.349 -28.632 16.430 1.00 16.66 N ATOM 857 CA ASP A 58 -11.517 -28.218 17.260 1.00 16.66 C ATOM 858 C ASP A 58 -12.792 -28.338 16.423 1.00 16.66 C ATOM 859 O ASP A 58 -13.883 -28.090 16.896 1.00 16.66 O ATOM 860 CB ASP A 58 -11.347 -26.769 17.732 1.00 50.00 C ATOM 861 CG ASP A 58 -11.575 -25.813 16.561 1.00 50.00 C ATOM 862 OD1 ASP A 58 -10.990 -26.040 15.517 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.331 -24.871 16.729 1.00 50.00 O ATOM 0 H ASP A 58 -9.788 -27.870 16.048 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.584 -28.865 18.135 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.054 -26.553 18.533 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.347 -26.625 18.142 1.00 50.00 H new ATOM 868 N GLY A 59 -12.665 -28.727 15.181 1.00 16.66 N ATOM 869 CA GLY A 59 -13.869 -28.874 14.318 1.00 16.66 C ATOM 870 C GLY A 59 -14.042 -27.632 13.439 1.00 16.66 C ATOM 871 O GLY A 59 -14.923 -27.576 12.603 1.00 16.66 O ATOM 0 H GLY A 59 -11.778 -28.949 14.729 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.771 -29.761 13.692 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.755 -29.017 14.937 1.00 16.66 H new ATOM 875 N PHE A 60 -13.224 -26.631 13.623 1.00 16.66 N ATOM 876 CA PHE A 60 -13.376 -25.402 12.794 1.00 16.66 C ATOM 877 C PHE A 60 -12.022 -24.897 12.286 1.00 16.66 C ATOM 878 O PHE A 60 -10.965 -25.169 12.852 1.00 16.66 O ATOM 879 CB PHE A 60 -14.031 -24.303 13.628 1.00 50.00 C ATOM 880 CG PHE A 60 -15.252 -24.852 14.320 1.00 50.00 C ATOM 881 CD1 PHE A 60 -15.125 -25.507 15.550 1.00 50.00 C ATOM 882 CD2 PHE A 60 -16.512 -24.702 13.732 1.00 50.00 C ATOM 883 CE1 PHE A 60 -16.259 -26.015 16.192 1.00 50.00 C ATOM 884 CE2 PHE A 60 -17.647 -25.208 14.374 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.522 -25.865 15.604 1.00 50.00 C ATOM 0 H PHE A 60 -12.465 -26.611 14.304 1.00 16.66 H new ATOM 0 HA PHE A 60 -13.997 -25.653 11.934 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.324 -23.922 14.365 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.309 -23.465 12.989 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -14.151 -25.620 16.004 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -16.609 -24.196 12.783 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -16.161 -26.523 17.140 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -18.620 -25.092 13.921 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.398 -26.256 16.099 1.00 50.00 H new ATOM 895 N ILE A 61 -12.054 -24.140 11.221 1.00 16.66 N ATOM 896 CA ILE A 61 -10.804 -23.580 10.657 1.00 16.66 C ATOM 897 C ILE A 61 -10.783 -22.073 10.924 1.00 16.66 C ATOM 898 O ILE A 61 -11.731 -21.371 10.634 1.00 16.66 O ATOM 899 CB ILE A 61 -10.770 -23.824 9.148 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.091 -25.292 8.857 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.377 -23.487 8.612 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.082 -26.191 9.574 1.00 16.66 C ATOM 0 H ILE A 61 -12.904 -23.887 10.717 1.00 16.66 H new ATOM 0 HA ILE A 61 -9.940 -24.058 11.119 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.511 -23.191 8.660 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.102 -25.526 9.190 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.058 -25.476 7.783 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.349 -23.660 7.536 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.152 -22.440 8.817 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.636 -24.120 9.100 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.313 -27.236 9.365 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.076 -25.964 9.220 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.137 -26.015 10.648 1.00 16.66 H new ATOM 914 N SER A 62 -9.712 -21.567 11.464 1.00 16.66 N ATOM 915 CA SER A 62 -9.636 -20.109 11.735 1.00 16.66 C ATOM 916 C SER A 62 -8.904 -19.435 10.577 1.00 16.66 C ATOM 917 O SER A 62 -8.341 -20.093 9.725 1.00 16.66 O ATOM 918 CB SER A 62 -8.870 -19.866 13.037 1.00 16.66 C ATOM 919 OG SER A 62 -9.476 -20.607 14.085 1.00 16.66 O ATOM 0 H SER A 62 -8.885 -22.102 11.729 1.00 16.66 H new ATOM 0 HA SER A 62 -10.640 -19.696 11.832 1.00 16.66 H new ATOM 0 HB2 SER A 62 -7.828 -20.165 12.920 1.00 16.66 H new ATOM 0 HB3 SER A 62 -8.871 -18.803 13.280 1.00 16.66 H new ATOM 0 HG SER A 62 -8.986 -20.454 14.920 1.00 16.66 H new ATOM 925 N PHE A 63 -8.904 -18.136 10.532 1.00 16.66 N ATOM 926 CA PHE A 63 -8.204 -17.448 9.418 1.00 16.66 C ATOM 927 C PHE A 63 -6.749 -17.907 9.397 1.00 16.66 C ATOM 928 O PHE A 63 -6.191 -18.201 8.359 1.00 16.66 O ATOM 929 CB PHE A 63 -8.256 -15.937 9.622 1.00 16.66 C ATOM 930 CG PHE A 63 -7.552 -15.275 8.466 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.956 -15.555 7.157 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.494 -14.391 8.700 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.303 -14.950 6.080 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.839 -13.785 7.623 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.245 -14.065 6.312 1.00 16.66 C ATOM 0 H PHE A 63 -9.355 -17.524 11.213 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.690 -17.693 8.474 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.290 -15.598 9.680 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.778 -15.665 10.563 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.773 -16.239 6.978 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.183 -14.176 9.712 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.615 -15.166 5.069 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.022 -13.102 7.802 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.741 -13.597 5.479 1.00 16.66 H new ATOM 945 N GLN A 64 -6.135 -17.975 10.543 1.00 16.66 N ATOM 946 CA GLN A 64 -4.719 -18.419 10.605 1.00 16.66 C ATOM 947 C GLN A 64 -4.614 -19.841 10.050 1.00 16.66 C ATOM 948 O GLN A 64 -3.785 -20.131 9.211 1.00 16.66 O ATOM 949 CB GLN A 64 -4.257 -18.399 12.061 1.00 16.66 C ATOM 950 CG GLN A 64 -2.747 -18.639 12.122 1.00 16.66 C ATOM 951 CD GLN A 64 -2.014 -17.435 11.527 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.180 -16.321 11.982 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.202 -17.613 10.520 1.00 50.00 N ATOM 0 H GLN A 64 -6.555 -17.741 11.442 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.091 -17.753 10.013 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.502 -17.440 12.518 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.781 -19.167 12.630 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.434 -18.795 13.155 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.489 -19.544 11.571 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.062 -18.548 10.137 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.708 -16.817 10.116 1.00 50.00 H new ATOM 962 N GLU A 65 -5.454 -20.731 10.510 1.00 16.66 N ATOM 963 CA GLU A 65 -5.408 -22.129 10.007 1.00 16.66 C ATOM 964 C GLU A 65 -5.616 -22.126 8.493 1.00 16.66 C ATOM 965 O GLU A 65 -4.906 -22.781 7.755 1.00 16.66 O ATOM 966 CB GLU A 65 -6.525 -22.939 10.666 1.00 16.66 C ATOM 967 CG GLU A 65 -6.113 -23.338 12.086 1.00 16.66 C ATOM 968 CD GLU A 65 -7.238 -24.153 12.735 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.372 -23.960 12.364 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.945 -24.956 13.592 1.00 16.66 O ATOM 0 H GLU A 65 -6.170 -20.546 11.213 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.442 -22.573 10.245 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.443 -22.352 10.696 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.736 -23.830 10.075 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.194 -23.924 12.058 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.905 -22.448 12.680 1.00 16.66 H new ATOM 977 N PHE A 66 -6.586 -21.391 8.026 1.00 16.66 N ATOM 978 CA PHE A 66 -6.844 -21.341 6.560 1.00 16.66 C ATOM 979 C PHE A 66 -5.634 -20.731 5.854 1.00 16.66 C ATOM 980 O PHE A 66 -5.281 -21.118 4.758 1.00 16.66 O ATOM 981 CB PHE A 66 -8.081 -20.482 6.290 1.00 16.66 C ATOM 982 CG PHE A 66 -8.392 -20.498 4.813 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.744 -19.603 3.952 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.327 -21.407 4.303 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.032 -19.616 2.582 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.614 -21.420 2.933 1.00 16.66 C ATOM 987 CZ PHE A 66 -8.968 -20.525 2.073 1.00 16.66 C ATOM 0 H PHE A 66 -7.212 -20.822 8.596 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.014 -22.350 6.184 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.932 -20.862 6.856 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.907 -19.459 6.625 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.022 -18.903 4.345 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.826 -22.098 4.966 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.533 -18.926 1.918 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.335 -22.121 2.539 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.191 -20.535 1.016 1.00 16.66 H new ATOM 997 N THR A 67 -4.994 -19.783 6.479 1.00 16.66 N ATOM 998 CA THR A 67 -3.803 -19.150 5.851 1.00 16.66 C ATOM 999 C THR A 67 -2.680 -20.183 5.743 1.00 16.66 C ATOM 1000 O THR A 67 -2.071 -20.346 4.705 1.00 16.66 O ATOM 1001 CB THR A 67 -3.337 -17.975 6.715 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.314 -16.943 6.673 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.006 -17.441 6.182 1.00 50.00 C ATOM 0 H THR A 67 -5.245 -19.419 7.398 1.00 16.66 H new ATOM 0 HA THR A 67 -4.062 -18.788 4.856 1.00 16.66 H new ATOM 0 HB THR A 67 -3.204 -18.311 7.744 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.078 -17.192 7.234 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.676 -16.605 6.799 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.257 -18.233 6.214 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.135 -17.105 5.153 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.405 -20.884 6.809 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.324 -21.909 6.769 1.00 25.00 C ATOM 1013 C ASP A 68 -1.655 -22.955 5.703 1.00 25.00 C ATOM 1014 O ASP A 68 -0.784 -23.459 5.021 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.215 -22.589 8.134 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.786 -21.561 9.183 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.333 -20.498 8.792 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -0.920 -21.853 10.360 1.00 50.00 O ATOM 0 H ASP A 68 -2.882 -20.791 7.706 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.376 -21.429 6.526 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.173 -23.029 8.411 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.492 -23.403 8.090 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.908 -23.281 5.550 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.301 -24.284 4.530 1.00 25.00 C ATOM 1025 C PHE A 69 -3.291 -23.607 3.156 1.00 25.00 C ATOM 1026 O PHE A 69 -2.912 -24.195 2.163 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.701 -24.819 4.889 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.491 -25.140 3.645 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.012 -24.101 2.873 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.698 -26.470 3.267 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.742 -24.388 1.715 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.427 -26.760 2.111 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.951 -25.719 1.333 1.00 50.00 C ATOM 0 H PHE A 69 -3.679 -22.892 6.093 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.607 -25.124 4.504 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.606 -25.713 5.505 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.236 -24.078 5.483 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.852 -23.075 3.170 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.295 -27.272 3.868 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.144 -23.584 1.116 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.587 -27.787 1.817 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.515 -25.943 0.440 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.699 -22.369 3.098 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.707 -21.647 1.795 1.00 16.66 C ATOM 1045 C GLY A 70 -2.299 -21.677 1.201 1.00 16.66 C ATOM 1046 O GLY A 70 -2.117 -21.636 0.000 1.00 16.66 O ATOM 0 H GLY A 70 -4.027 -21.826 3.897 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.415 -22.114 1.110 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.034 -20.617 1.937 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.298 -21.757 2.036 1.00 25.00 N ATOM 1051 CA ARG A 71 0.099 -21.801 1.524 1.00 25.00 C ATOM 1052 C ARG A 71 0.341 -23.161 0.868 1.00 25.00 C ATOM 1053 O ARG A 71 1.154 -23.299 -0.024 1.00 25.00 O ATOM 1054 CB ARG A 71 1.075 -21.613 2.688 1.00 50.00 C ATOM 1055 CG ARG A 71 0.845 -20.243 3.329 1.00 50.00 C ATOM 1056 CD ARG A 71 1.880 -20.013 4.432 1.00 50.00 C ATOM 1057 NE ARG A 71 1.807 -21.124 5.422 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.681 -21.195 6.389 1.00 50.00 C ATOM 1059 NH1 ARG A 71 3.047 -20.112 7.019 1.00 50.00 N ATOM 1060 NH2 ARG A 71 3.189 -22.350 6.727 1.00 50.00 N ATOM 0 H ARG A 71 -1.389 -21.794 3.051 1.00 25.00 H new ATOM 0 HA ARG A 71 0.253 -21.006 0.795 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.932 -22.401 3.427 1.00 50.00 H new ATOM 0 HB3 ARG A 71 2.102 -21.692 2.332 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.922 -19.460 2.575 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.162 -20.188 3.744 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.880 -19.960 4.002 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.695 -19.059 4.926 1.00 50.00 H new ATOM 0 HE ARG A 71 1.074 -21.829 5.344 1.00 50.00 H new ATOM 0 HH11 ARG A 71 2.650 -19.210 6.756 1.00 50.00 H new ATOM 0 HH12 ARG A 71 3.730 -20.168 7.775 1.00 50.00 H new ATOM 0 HH21 ARG A 71 2.903 -23.197 6.235 1.00 50.00 H new ATOM 0 HH22 ARG A 71 3.872 -22.405 7.483 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.367 -24.166 1.305 1.00 25.00 N ATOM 1075 CA ALA A 72 -0.192 -25.521 0.714 1.00 25.00 C ATOM 1076 C ALA A 72 -0.820 -25.549 -0.681 1.00 25.00 C ATOM 1077 O ALA A 72 -0.452 -26.345 -1.522 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.884 -26.552 1.607 1.00 50.00 C ATOM 0 H ALA A 72 -1.062 -24.106 2.049 1.00 25.00 H new ATOM 0 HA ALA A 72 0.870 -25.757 0.639 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.759 -27.547 1.179 1.00 50.00 H new ATOM 0 HB2 ALA A 72 -0.441 -26.527 2.602 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.946 -26.318 1.677 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.763 -24.684 -0.932 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.416 -24.655 -2.270 1.00 25.00 C ATOM 1086 C ASN A 73 -2.746 -23.207 -2.639 1.00 25.00 C ATOM 1087 O ASN A 73 -3.889 -22.854 -2.852 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.704 -25.479 -2.226 1.00 25.00 C ATOM 1089 CG ASN A 73 -3.495 -26.703 -1.334 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.819 -27.639 -1.715 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -4.048 -26.736 -0.153 1.00 50.00 N ATOM 0 H ASN A 73 -2.110 -23.994 -0.266 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.743 -25.077 -3.016 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.524 -24.872 -1.842 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.983 -25.792 -3.232 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.913 -27.547 0.451 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.615 -25.951 0.167 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.750 -22.366 -2.714 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.001 -20.939 -3.065 1.00 25.00 C ATOM 1100 C ARG A 74 -2.816 -20.877 -4.355 1.00 25.00 C ATOM 1101 O ARG A 74 -3.470 -19.895 -4.644 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.665 -20.221 -3.270 1.00 25.00 C ATOM 1103 CG ARG A 74 0.205 -20.401 -2.025 1.00 25.00 C ATOM 1104 CD ARG A 74 1.527 -19.655 -2.214 1.00 25.00 C ATOM 1105 NE ARG A 74 2.394 -19.879 -1.023 1.00 25.00 N ATOM 1106 CZ ARG A 74 3.659 -19.551 -1.061 1.00 50.00 C ATOM 1107 NH1 ARG A 74 4.181 -19.075 -2.159 1.00 50.00 N ATOM 1108 NH2 ARG A 74 4.401 -19.698 0.001 1.00 50.00 N ATOM 0 H ARG A 74 -0.773 -22.606 -2.547 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.551 -20.454 -2.259 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.154 -20.623 -4.145 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.834 -19.161 -3.459 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.316 -20.022 -1.146 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.395 -21.460 -1.851 1.00 25.00 H new ATOM 0 HD2 ARG A 74 2.030 -20.006 -3.115 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.341 -18.589 -2.347 1.00 25.00 H new ATOM 0 HE ARG A 74 2.000 -20.289 -0.176 1.00 25.00 H new ATOM 0 HH11 ARG A 74 3.602 -18.958 -2.990 1.00 50.00 H new ATOM 0 HH12 ARG A 74 5.168 -18.820 -2.186 1.00 50.00 H new ATOM 0 HH21 ARG A 74 3.994 -20.068 0.860 1.00 50.00 H new ATOM 0 HH22 ARG A 74 5.388 -19.443 -0.027 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.779 -21.922 -5.132 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.547 -21.934 -6.405 1.00 25.00 C ATOM 1124 C GLY A 75 -5.024 -22.199 -6.104 1.00 25.00 C ATOM 1125 O GLY A 75 -5.901 -21.801 -6.845 1.00 25.00 O ATOM 0 H GLY A 75 -2.248 -22.771 -4.939 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.435 -20.980 -6.919 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -3.156 -22.703 -7.071 1.00 25.00 H new ATOM 1129 N LEU A 76 -5.304 -22.870 -5.020 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.721 -23.164 -4.670 1.00 25.00 C ATOM 1131 C LEU A 76 -7.406 -21.885 -4.183 1.00 25.00 C ATOM 1132 O LEU A 76 -8.516 -21.577 -4.569 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.765 -24.221 -3.565 1.00 25.00 C ATOM 1134 CG LEU A 76 -6.390 -25.584 -4.149 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -6.275 -26.611 -3.020 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -7.470 -26.032 -5.137 1.00 50.00 C ATOM 0 H LEU A 76 -4.611 -23.227 -4.362 1.00 25.00 H new ATOM 0 HA LEU A 76 -7.241 -23.539 -5.552 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -6.075 -23.954 -2.764 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.762 -24.263 -3.126 1.00 25.00 H new ATOM 0 HG LEU A 76 -5.434 -25.505 -4.667 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -6.008 -27.582 -3.437 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.505 -26.294 -2.317 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -7.230 -26.690 -2.501 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -7.202 -27.003 -5.553 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -8.426 -26.110 -4.620 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -7.551 -25.302 -5.943 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.752 -21.142 -3.336 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.364 -19.886 -2.820 1.00 25.00 C ATOM 1150 C LEU A 77 -7.559 -18.895 -3.968 1.00 25.00 C ATOM 1151 O LEU A 77 -8.581 -18.248 -4.075 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.445 -19.263 -1.761 1.00 25.00 C ATOM 1153 CG LEU A 77 -5.977 -20.321 -0.742 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -6.998 -21.460 -0.627 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -4.623 -20.889 -1.172 1.00 50.00 C ATOM 0 H LEU A 77 -5.820 -21.350 -2.978 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.331 -20.117 -2.374 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.579 -18.812 -2.246 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -6.973 -18.462 -1.243 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.882 -19.841 0.232 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -6.645 -22.193 0.098 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -7.956 -21.058 -0.299 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -7.119 -21.939 -1.598 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -4.296 -21.636 -0.449 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -4.718 -21.352 -2.154 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -3.889 -20.084 -1.219 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.589 -18.770 -4.827 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.721 -17.818 -5.967 1.00 25.00 C ATOM 1169 C LYS A 78 -7.840 -18.288 -6.897 1.00 25.00 C ATOM 1170 O LYS A 78 -8.544 -17.495 -7.488 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.403 -17.762 -6.743 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.321 -17.128 -5.866 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.091 -16.812 -6.720 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.527 -18.111 -7.300 1.00 50.00 C ATOM 1175 NZ LYS A 78 -2.403 -17.981 -8.780 1.00 50.00 N ATOM 0 H LYS A 78 -5.709 -19.285 -4.791 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.959 -16.826 -5.584 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.102 -18.766 -7.042 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.531 -17.182 -7.657 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.700 -16.216 -5.404 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -4.050 -17.806 -5.057 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.360 -16.128 -7.525 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.334 -16.312 -6.116 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -1.553 -18.326 -6.860 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.181 -18.947 -7.051 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -2.020 -18.863 -9.175 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -3.340 -17.795 -9.192 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.763 -17.193 -9.007 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.006 -19.573 -7.030 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.078 -20.099 -7.920 1.00 25.00 C ATOM 1191 C ASP A 79 -10.422 -20.025 -7.198 1.00 25.00 C ATOM 1192 O ASP A 79 -11.412 -19.583 -7.745 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.770 -21.554 -8.271 1.00 25.00 C ATOM 1194 CG ASP A 79 -7.860 -21.600 -9.501 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -7.619 -20.550 -10.074 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -7.421 -22.684 -9.848 1.00 50.00 O ATOM 0 H ASP A 79 -7.445 -20.284 -6.560 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.123 -19.502 -8.831 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.286 -22.048 -7.429 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.695 -22.095 -8.469 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.461 -20.455 -5.970 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.736 -20.412 -5.202 1.00 25.00 C ATOM 1203 C VAL A 80 -12.160 -18.957 -5.014 1.00 25.00 C ATOM 1204 O VAL A 80 -13.312 -18.603 -5.173 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.524 -21.073 -3.835 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -10.858 -20.089 -2.867 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -12.875 -21.510 -3.266 1.00 50.00 C ATOM 0 H VAL A 80 -9.663 -20.836 -5.462 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.515 -20.948 -5.744 1.00 25.00 H new ATOM 0 HB VAL A 80 -10.877 -21.941 -3.958 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.713 -20.571 -1.900 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -9.892 -19.782 -3.268 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.495 -19.213 -2.744 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -12.726 -21.980 -2.294 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.521 -20.639 -3.152 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.343 -22.222 -3.946 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.228 -18.118 -4.675 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.554 -16.678 -4.470 1.00 25.00 C ATOM 1219 C ALA A 81 -12.342 -16.158 -5.672 1.00 25.00 C ATOM 1220 O ALA A 81 -13.254 -15.366 -5.535 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.260 -15.877 -4.323 1.00 50.00 C ATOM 0 H ALA A 81 -10.249 -18.365 -4.530 1.00 25.00 H new ATOM 0 HA ALA A 81 -12.154 -16.567 -3.567 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.499 -14.824 -4.173 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.698 -16.247 -3.465 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.659 -15.988 -5.226 1.00 50.00 H new ATOM 1227 N LYS A 82 -11.998 -16.596 -6.851 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.726 -16.126 -8.063 1.00 25.00 C ATOM 1229 C LYS A 82 -14.133 -16.725 -8.075 1.00 25.00 C ATOM 1230 O LYS A 82 -15.051 -16.166 -8.643 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.970 -16.571 -9.317 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.577 -15.937 -9.326 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.890 -16.235 -10.660 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.519 -15.556 -10.691 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.586 -16.282 -9.786 1.00 50.00 N ATOM 0 H LYS A 82 -11.244 -17.260 -7.028 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.794 -15.038 -8.048 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.887 -17.658 -9.338 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.521 -16.276 -10.210 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.655 -14.860 -9.177 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.981 -16.330 -8.502 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -9.778 -17.311 -10.791 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.504 -15.876 -11.486 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.126 -15.551 -11.708 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.609 -14.515 -10.379 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.995 -15.596 -9.274 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -8.132 -16.845 -9.103 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -6.978 -16.912 -10.347 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.313 -17.858 -7.452 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.663 -18.487 -7.427 1.00 25.00 C ATOM 1251 C ILE A 83 -16.636 -17.562 -6.697 1.00 25.00 C ATOM 1252 O ILE A 83 -17.815 -17.524 -6.991 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.586 -19.826 -6.693 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.834 -20.837 -7.557 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.001 -20.339 -6.420 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -14.846 -22.205 -6.873 1.00 50.00 C ATOM 0 H ILE A 83 -13.584 -18.374 -6.960 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.010 -18.652 -8.447 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.059 -19.694 -5.748 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -15.298 -20.907 -8.541 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.807 -20.506 -7.712 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -16.947 -21.294 -5.897 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.537 -19.617 -5.804 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.528 -20.472 -7.365 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.309 -22.925 -7.490 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.362 -22.129 -5.900 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -15.876 -22.537 -6.741 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.149 -16.818 -5.745 1.00 25.00 N ATOM 1269 CA PHE A 84 -17.037 -15.893 -4.989 1.00 25.00 C ATOM 1270 C PHE A 84 -16.731 -14.449 -5.392 1.00 25.00 C ATOM 1271 O PHE A 84 -16.975 -14.111 -6.539 1.00 99.99 O ATOM 1272 CB PHE A 84 -16.792 -16.067 -3.489 1.00 50.00 C ATOM 1273 CG PHE A 84 -17.046 -17.504 -3.102 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.208 -18.516 -3.585 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.120 -17.824 -2.263 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.444 -19.850 -3.227 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.355 -19.157 -1.906 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.518 -20.170 -2.388 1.00 50.00 C ATOM 1279 OXT PHE A 84 -16.255 -13.708 -4.549 1.00 25.00 O ATOM 0 H PHE A 84 -15.171 -16.811 -5.457 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.078 -16.120 -5.217 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.768 -15.788 -3.242 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.448 -15.405 -2.923 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.380 -18.269 -4.233 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.767 -17.043 -1.891 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.797 -20.631 -3.598 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.183 -19.404 -1.258 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.701 -21.198 -2.113 1.00 50.00 H new TER 1289 PHE A 84 HETATM 1290 CA CA A1085 -18.179 -19.418 11.798 1.00 14.39 CA HETATM 1291 CA CA A1086 -9.310 -25.344 14.165 1.00 13.26 CA