USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=12 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -3.05! C(o=-3!,f=-3.2!) USER MOD Single : A 6 GLN : amide:sc= -1.94! K(o=-1.9!,f=-0.94) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.0412 (180deg=-0.453) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.705 (180deg=0.184!) USER MOD Single : A 27 SER OG : rot 180:sc=4.74e-05 USER MOD Single : A 36 LYS NZ :NH3+ -116:sc= 0.0774 (180deg=-0.137) USER MOD Single : A 37 THR OG1 : rot 120:sc= -3.07! USER MOD Single : A 40 SER OG : rot -65:sc= 0.954 USER MOD Single : A 42 THR OG1 : rot -140:sc= 0.0682 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.00024) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 157:sc= -9.26! (180deg=-10.4!) USER MOD Single : A 55 THR OG1 : rot -30:sc= -1.85! USER MOD Single : A 62 SER OG : rot 180:sc= -0.0317 USER MOD Single : A 64 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.66) USER MOD Single : A 67 THR OG1 : rot 76:sc= 0.85 USER MOD Single : A 73 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.4) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= 0.346 (180deg=0.0653) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.091 -14.192 3.697 1.00 0.00 N ATOM 2 CA ALA A 1 9.751 -14.683 3.267 1.00 0.00 C ATOM 3 C ALA A 1 9.300 -13.911 2.026 1.00 0.00 C ATOM 4 O ALA A 1 9.143 -12.707 2.055 1.00 0.00 O ATOM 5 CB ALA A 1 8.742 -14.468 4.397 1.00 0.00 C ATOM 0 H1 ALA A 1 11.399 -14.716 4.541 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.777 -14.338 2.929 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.034 -13.178 3.921 1.00 0.00 H new ATOM 0 HA ALA A 1 9.811 -15.746 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.762 -14.827 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.064 -15.018 5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.681 -13.406 4.633 1.00 0.00 H new ATOM 13 N ASP A 2 9.089 -14.595 0.934 1.00 0.00 N ATOM 14 CA ASP A 2 8.649 -13.900 -0.307 1.00 0.00 C ATOM 15 C ASP A 2 7.143 -13.632 -0.238 1.00 0.00 C ATOM 16 O ASP A 2 6.585 -12.955 -1.078 1.00 0.00 O ATOM 17 CB ASP A 2 8.956 -14.780 -1.521 1.00 0.00 C ATOM 18 CG ASP A 2 10.471 -14.874 -1.712 1.00 0.00 C ATOM 19 OD1 ASP A 2 11.178 -14.121 -1.064 1.00 0.00 O ATOM 20 OD2 ASP A 2 10.898 -15.698 -2.504 1.00 0.00 O ATOM 0 H ASP A 2 9.203 -15.605 0.849 1.00 0.00 H new ATOM 0 HA ASP A 2 9.181 -12.953 -0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.534 -15.775 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.491 -14.362 -2.414 1.00 0.00 H new ATOM 25 N ASP A 3 6.482 -14.160 0.755 1.00 25.00 N ATOM 26 CA ASP A 3 5.013 -13.935 0.874 1.00 25.00 C ATOM 27 C ASP A 3 4.735 -12.437 1.002 1.00 25.00 C ATOM 28 O ASP A 3 5.449 -11.718 1.674 1.00 25.00 O ATOM 29 CB ASP A 3 4.484 -14.661 2.112 1.00 25.00 C ATOM 30 CG ASP A 3 4.658 -16.171 1.932 1.00 25.00 C ATOM 31 OD1 ASP A 3 4.887 -16.590 0.810 1.00 25.00 O ATOM 32 OD2 ASP A 3 4.559 -16.880 2.919 1.00 25.00 O ATOM 0 H ASP A 3 6.894 -14.737 1.488 1.00 25.00 H new ATOM 0 HA ASP A 3 4.513 -14.322 -0.014 1.00 25.00 H new ATOM 0 HB2 ASP A 3 5.020 -14.326 3.000 1.00 25.00 H new ATOM 0 HB3 ASP A 3 3.432 -14.421 2.265 1.00 25.00 H new ATOM 37 N HIS A 4 3.702 -11.959 0.365 1.00 25.00 N ATOM 38 CA HIS A 4 3.374 -10.512 0.448 1.00 25.00 C ATOM 39 C HIS A 4 2.052 -10.345 1.196 1.00 25.00 C ATOM 40 O HIS A 4 1.204 -11.214 1.163 1.00 25.00 O ATOM 41 CB HIS A 4 3.229 -9.955 -0.972 1.00 50.00 C ATOM 42 CG HIS A 4 3.913 -8.621 -1.073 1.00 50.00 C ATOM 43 ND1 HIS A 4 3.252 -7.486 -1.515 1.00 50.00 N ATOM 44 CD2 HIS A 4 5.197 -8.222 -0.794 1.00 50.00 C ATOM 45 CE1 HIS A 4 4.131 -6.469 -1.491 1.00 50.00 C ATOM 46 NE2 HIS A 4 5.333 -6.863 -1.059 1.00 50.00 N ATOM 0 H HIS A 4 3.069 -12.513 -0.212 1.00 25.00 H new ATOM 0 HA HIS A 4 4.164 -9.977 0.975 1.00 25.00 H new ATOM 0 HB2 HIS A 4 3.663 -10.651 -1.690 1.00 50.00 H new ATOM 0 HB3 HIS A 4 2.174 -9.852 -1.225 1.00 50.00 H new ATOM 0 HD2 HIS A 4 5.982 -8.865 -0.425 1.00 50.00 H new ATOM 0 HE1 HIS A 4 3.895 -5.457 -1.785 1.00 50.00 H new ATOM 0 HE2 HIS A 4 6.170 -6.291 -0.948 1.00 50.00 H new ATOM 54 N PRO A 5 1.859 -9.202 1.872 1.00 25.00 N ATOM 55 CA PRO A 5 0.622 -8.929 2.611 1.00 25.00 C ATOM 56 C PRO A 5 -0.560 -8.838 1.650 1.00 25.00 C ATOM 57 O PRO A 5 -1.705 -8.992 2.026 1.00 25.00 O ATOM 58 CB PRO A 5 0.889 -7.576 3.269 1.00 50.00 C ATOM 59 CG PRO A 5 1.936 -6.950 2.414 1.00 50.00 C ATOM 60 CD PRO A 5 2.813 -8.084 1.968 1.00 50.00 C ATOM 0 HA PRO A 5 0.372 -9.707 3.332 1.00 25.00 H new ATOM 0 HB2 PRO A 5 -0.013 -6.966 3.304 1.00 50.00 H new ATOM 0 HB3 PRO A 5 1.233 -7.695 4.296 1.00 50.00 H new ATOM 0 HG2 PRO A 5 1.492 -6.437 1.561 1.00 50.00 H new ATOM 0 HG3 PRO A 5 2.507 -6.207 2.971 1.00 50.00 H new ATOM 0 HD2 PRO A 5 3.292 -7.875 1.011 1.00 50.00 H new ATOM 0 HD3 PRO A 5 3.608 -8.289 2.685 1.00 50.00 H new ATOM 68 N GLN A 6 -0.274 -8.604 0.401 1.00 25.00 N ATOM 69 CA GLN A 6 -1.347 -8.515 -0.620 1.00 25.00 C ATOM 70 C GLN A 6 -2.119 -9.833 -0.647 1.00 25.00 C ATOM 71 O GLN A 6 -3.321 -9.861 -0.827 1.00 25.00 O ATOM 72 CB GLN A 6 -0.702 -8.277 -1.986 1.00 25.00 C ATOM 73 CG GLN A 6 -0.372 -6.792 -2.152 1.00 25.00 C ATOM 74 CD GLN A 6 -1.625 -5.958 -1.886 1.00 25.00 C ATOM 75 OE1 GLN A 6 -2.392 -5.686 -2.788 1.00 25.00 O ATOM 76 NE2 GLN A 6 -1.865 -5.537 -0.675 1.00 25.00 N ATOM 0 H GLN A 6 0.671 -8.469 0.042 1.00 25.00 H new ATOM 0 HA GLN A 6 -2.028 -7.698 -0.383 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.206 -8.873 -2.079 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.377 -8.600 -2.778 1.00 25.00 H new ATOM 0 HG2 GLN A 6 0.422 -6.506 -1.462 1.00 25.00 H new ATOM 0 HG3 GLN A 6 -0.002 -6.601 -3.160 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -1.220 -5.766 0.082 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -2.697 -4.979 -0.485 1.00 25.00 H new ATOM 85 N ASP A 7 -1.433 -10.928 -0.469 1.00 16.66 N ATOM 86 CA ASP A 7 -2.114 -12.252 -0.483 1.00 16.66 C ATOM 87 C ASP A 7 -3.086 -12.337 0.694 1.00 16.66 C ATOM 88 O ASP A 7 -4.213 -12.768 0.551 1.00 16.66 O ATOM 89 CB ASP A 7 -1.067 -13.362 -0.363 1.00 16.66 C ATOM 90 CG ASP A 7 -0.232 -13.415 -1.645 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.642 -12.809 -2.622 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.804 -14.059 -1.626 1.00 50.00 O ATOM 0 H ASP A 7 -0.425 -10.962 -0.314 1.00 16.66 H new ATOM 0 HA ASP A 7 -2.664 -12.370 -1.416 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.422 -13.178 0.496 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.556 -14.321 -0.195 1.00 16.66 H new ATOM 97 N LYS A 8 -2.658 -11.930 1.853 1.00 16.66 N ATOM 98 CA LYS A 8 -3.556 -11.985 3.040 1.00 16.66 C ATOM 99 C LYS A 8 -4.899 -11.348 2.686 1.00 16.66 C ATOM 100 O LYS A 8 -5.943 -11.789 3.125 1.00 16.66 O ATOM 101 CB LYS A 8 -2.917 -11.221 4.199 1.00 16.66 C ATOM 102 CG LYS A 8 -1.947 -12.144 4.935 1.00 16.66 C ATOM 103 CD LYS A 8 -1.658 -11.580 6.327 1.00 16.66 C ATOM 104 CE LYS A 8 -0.487 -12.340 6.953 1.00 50.00 C ATOM 105 NZ LYS A 8 0.652 -11.405 7.171 1.00 50.00 N ATOM 0 H LYS A 8 -1.724 -11.561 2.032 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.711 -13.023 3.334 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.390 -10.343 3.825 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.687 -10.863 4.883 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.373 -13.144 5.018 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -1.020 -12.238 4.370 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.421 -10.518 6.259 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.542 -11.669 6.958 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -0.793 -12.785 7.900 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.180 -13.158 6.301 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.448 -11.921 7.597 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.949 -11.001 6.260 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.355 -10.639 7.809 1.00 50.00 H new ATOM 119 N ALA A 9 -4.881 -10.319 1.887 1.00 16.66 N ATOM 120 CA ALA A 9 -6.158 -9.661 1.499 1.00 16.66 C ATOM 121 C ALA A 9 -7.027 -10.674 0.760 1.00 16.66 C ATOM 122 O ALA A 9 -8.203 -10.817 1.031 1.00 16.66 O ATOM 123 CB ALA A 9 -5.866 -8.468 0.586 1.00 16.66 C ATOM 0 H ALA A 9 -4.039 -9.906 1.487 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.678 -9.307 2.389 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.803 -7.988 0.303 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.236 -7.752 1.114 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.351 -8.813 -0.310 1.00 16.66 H new ATOM 129 N GLU A 10 -6.452 -11.385 -0.166 1.00 16.66 N ATOM 130 CA GLU A 10 -7.236 -12.402 -0.918 1.00 16.66 C ATOM 131 C GLU A 10 -7.590 -13.549 0.025 1.00 16.66 C ATOM 132 O GLU A 10 -8.667 -14.104 -0.031 1.00 16.66 O ATOM 133 CB GLU A 10 -6.403 -12.935 -2.085 1.00 16.66 C ATOM 134 CG GLU A 10 -5.860 -11.762 -2.905 1.00 16.66 C ATOM 135 CD GLU A 10 -5.156 -12.297 -4.154 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.843 -13.477 -4.175 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.941 -11.518 -5.068 1.00 16.66 O ATOM 0 H GLU A 10 -5.471 -11.306 -0.436 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.147 -11.950 -1.309 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.579 -13.542 -1.710 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -7.013 -13.581 -2.716 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.674 -11.096 -3.190 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.164 -11.176 -2.305 1.00 16.66 H new ATOM 144 N ARG A 11 -6.689 -13.904 0.898 1.00 16.66 N ATOM 145 CA ARG A 11 -6.968 -15.009 1.853 1.00 16.66 C ATOM 146 C ARG A 11 -8.024 -14.556 2.859 1.00 16.66 C ATOM 147 O ARG A 11 -8.911 -15.301 3.226 1.00 16.66 O ATOM 148 CB ARG A 11 -5.681 -15.368 2.595 1.00 16.66 C ATOM 149 CG ARG A 11 -4.728 -16.087 1.639 1.00 16.66 C ATOM 150 CD ARG A 11 -3.526 -16.624 2.417 1.00 50.00 C ATOM 151 NE ARG A 11 -3.190 -15.681 3.517 1.00 50.00 N ATOM 152 CZ ARG A 11 -1.951 -15.321 3.715 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.152 -15.139 2.699 1.00 50.00 N ATOM 154 NH2 ARG A 11 -1.512 -15.140 4.930 1.00 50.00 N ATOM 0 H ARG A 11 -5.769 -13.474 0.990 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.334 -15.880 1.310 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.210 -14.466 2.986 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.907 -16.006 3.450 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.247 -16.906 1.141 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.393 -15.402 0.860 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.753 -17.609 2.824 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -2.671 -16.743 1.751 1.00 50.00 H new ATOM 0 HE ARG A 11 -3.929 -15.315 4.118 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -1.496 -15.278 1.749 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -0.184 -14.858 2.855 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -2.137 -15.280 5.724 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -0.544 -14.859 5.086 1.00 50.00 H new ATOM 168 N GLU A 12 -7.934 -13.336 3.306 1.00 16.66 N ATOM 169 CA GLU A 12 -8.924 -12.823 4.286 1.00 16.66 C ATOM 170 C GLU A 12 -10.297 -12.730 3.622 1.00 16.66 C ATOM 171 O GLU A 12 -11.310 -13.039 4.218 1.00 16.66 O ATOM 172 CB GLU A 12 -8.489 -11.435 4.759 1.00 16.66 C ATOM 173 CG GLU A 12 -7.372 -11.576 5.794 1.00 16.66 C ATOM 174 CD GLU A 12 -7.246 -10.274 6.589 1.00 16.66 C ATOM 175 OE1 GLU A 12 -7.919 -9.320 6.235 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.479 -10.254 7.537 1.00 50.00 O ATOM 0 H GLU A 12 -7.212 -12.670 3.032 1.00 16.66 H new ATOM 0 HA GLU A 12 -8.981 -13.499 5.139 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -8.142 -10.843 3.912 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.337 -10.905 5.193 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.588 -12.406 6.467 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.429 -11.805 5.298 1.00 16.66 H new ATOM 183 N ARG A 13 -10.340 -12.308 2.390 1.00 16.66 N ATOM 184 CA ARG A 13 -11.648 -12.196 1.687 1.00 16.66 C ATOM 185 C ARG A 13 -12.202 -13.596 1.433 1.00 16.66 C ATOM 186 O ARG A 13 -13.386 -13.840 1.567 1.00 16.66 O ATOM 187 CB ARG A 13 -11.454 -11.470 0.355 1.00 16.66 C ATOM 188 CG ARG A 13 -11.075 -10.011 0.621 1.00 16.66 C ATOM 189 CD ARG A 13 -10.727 -9.325 -0.702 1.00 16.66 C ATOM 190 NE ARG A 13 -11.615 -8.146 -0.897 1.00 50.00 N ATOM 191 CZ ARG A 13 -11.597 -7.495 -2.029 1.00 50.00 C ATOM 192 NH1 ARG A 13 -10.621 -7.686 -2.874 1.00 50.00 N ATOM 193 NH2 ARG A 13 -12.555 -6.656 -2.315 1.00 50.00 N ATOM 0 H ARG A 13 -9.526 -12.036 1.839 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.348 -11.632 2.303 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.674 -11.959 -0.228 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.370 -11.518 -0.234 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.902 -9.492 1.106 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.225 -9.963 1.302 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.683 -9.011 -0.698 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -10.846 -10.025 -1.529 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.237 -7.847 -0.146 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -9.874 -8.343 -2.650 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -10.606 -7.178 -3.759 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -13.318 -6.509 -1.654 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -12.541 -6.148 -3.199 1.00 50.00 H new ATOM 207 N ILE A 14 -11.357 -14.519 1.075 1.00 16.66 N ATOM 208 CA ILE A 14 -11.832 -15.906 0.823 1.00 16.66 C ATOM 209 C ILE A 14 -12.205 -16.555 2.154 1.00 16.66 C ATOM 210 O ILE A 14 -13.227 -17.201 2.278 1.00 16.66 O ATOM 211 CB ILE A 14 -10.719 -16.709 0.151 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.310 -16.018 -1.152 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.223 -18.120 -0.156 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.915 -16.489 -1.564 1.00 50.00 C ATOM 0 H ILE A 14 -10.356 -14.373 0.946 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.705 -15.886 0.170 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.858 -16.768 0.817 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -11.029 -16.246 -1.938 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.316 -14.936 -1.019 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.430 -18.693 -0.635 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.516 -18.611 0.772 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.083 -18.062 -0.823 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.624 -15.997 -2.492 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.200 -16.238 -0.780 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.925 -17.569 -1.714 1.00 50.00 H new ATOM 226 N PHE A 15 -11.386 -16.386 3.159 1.00 16.66 N ATOM 227 CA PHE A 15 -11.707 -16.992 4.479 1.00 16.66 C ATOM 228 C PHE A 15 -12.900 -16.259 5.089 1.00 16.66 C ATOM 229 O PHE A 15 -13.742 -16.850 5.734 1.00 16.66 O ATOM 230 CB PHE A 15 -10.501 -16.876 5.414 1.00 16.66 C ATOM 231 CG PHE A 15 -10.846 -17.523 6.736 1.00 16.66 C ATOM 232 CD1 PHE A 15 -10.613 -18.890 6.924 1.00 16.66 C ATOM 233 CD2 PHE A 15 -11.409 -16.760 7.766 1.00 16.66 C ATOM 234 CE1 PHE A 15 -10.940 -19.496 8.144 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.739 -17.367 8.986 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.504 -18.735 9.175 1.00 16.66 C ATOM 0 H PHE A 15 -10.514 -15.857 3.121 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.951 -18.046 4.344 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.632 -17.362 4.971 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.239 -15.829 5.563 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -10.181 -19.478 6.128 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -11.589 -15.705 7.621 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -10.757 -20.550 8.289 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -12.175 -16.779 9.781 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.758 -19.202 10.115 1.00 16.66 H new ATOM 246 N LYS A 16 -12.982 -14.973 4.883 1.00 16.66 N ATOM 247 CA LYS A 16 -14.125 -14.203 5.445 1.00 16.66 C ATOM 248 C LYS A 16 -15.416 -14.662 4.768 1.00 16.66 C ATOM 249 O LYS A 16 -16.477 -14.659 5.362 1.00 16.66 O ATOM 250 CB LYS A 16 -13.913 -12.710 5.186 1.00 50.00 C ATOM 251 CG LYS A 16 -12.981 -12.134 6.254 1.00 50.00 C ATOM 252 CD LYS A 16 -12.862 -10.621 6.063 1.00 50.00 C ATOM 253 CE LYS A 16 -11.767 -10.074 6.982 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.078 -10.435 8.394 1.00 50.00 N ATOM 0 H LYS A 16 -12.307 -14.424 4.350 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.192 -14.375 6.519 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.485 -12.559 4.195 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -14.870 -12.188 5.203 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.368 -12.357 7.248 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -11.998 -12.599 6.183 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -12.627 -10.393 5.024 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -13.814 -10.140 6.288 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -10.798 -10.484 6.695 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.698 -8.991 6.879 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.517 -9.839 9.036 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -13.091 -10.283 8.576 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -11.844 -11.435 8.556 1.00 50.00 H new ATOM 268 N ARG A 17 -15.333 -15.063 3.529 1.00 16.66 N ATOM 269 CA ARG A 17 -16.554 -15.529 2.814 1.00 16.66 C ATOM 270 C ARG A 17 -16.978 -16.883 3.383 1.00 16.66 C ATOM 271 O ARG A 17 -18.150 -17.182 3.498 1.00 16.66 O ATOM 272 CB ARG A 17 -16.251 -15.672 1.322 1.00 16.66 C ATOM 273 CG ARG A 17 -16.117 -14.283 0.693 1.00 16.66 C ATOM 274 CD ARG A 17 -17.502 -13.762 0.304 1.00 50.00 C ATOM 275 NE ARG A 17 -17.375 -12.389 -0.264 1.00 50.00 N ATOM 276 CZ ARG A 17 -18.446 -11.698 -0.544 1.00 50.00 C ATOM 277 NH1 ARG A 17 -18.834 -11.570 -1.783 1.00 50.00 N ATOM 278 NH2 ARG A 17 -19.127 -11.133 0.415 1.00 50.00 N ATOM 0 H ARG A 17 -14.473 -15.088 2.981 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.358 -14.805 2.948 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.330 -16.238 1.180 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -17.047 -16.230 0.830 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -15.644 -13.598 1.396 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.475 -14.331 -0.186 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -17.961 -14.428 -0.426 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -18.155 -13.747 1.177 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.452 -11.990 -0.434 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -18.300 -12.010 -2.533 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -19.671 -11.030 -2.002 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -18.822 -11.231 1.383 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -19.964 -10.593 0.196 1.00 50.00 H new ATOM 292 N PHE A 18 -16.030 -17.703 3.745 1.00 16.66 N ATOM 293 CA PHE A 18 -16.376 -19.037 4.311 1.00 16.66 C ATOM 294 C PHE A 18 -17.037 -18.849 5.675 1.00 16.66 C ATOM 295 O PHE A 18 -18.067 -19.426 5.962 1.00 16.66 O ATOM 296 CB PHE A 18 -15.106 -19.874 4.465 1.00 16.66 C ATOM 297 CG PHE A 18 -14.744 -20.490 3.135 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.522 -21.529 2.610 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.630 -20.024 2.427 1.00 16.66 C ATOM 300 CE1 PHE A 18 -15.186 -22.101 1.377 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.294 -20.595 1.194 1.00 16.66 C ATOM 302 CZ PHE A 18 -14.073 -21.634 0.668 1.00 16.66 C ATOM 0 H PHE A 18 -15.032 -17.507 3.673 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.064 -19.551 3.640 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.288 -19.250 4.823 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.261 -20.655 5.209 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.381 -21.889 3.156 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.029 -19.223 2.832 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.786 -22.903 0.973 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.434 -20.235 0.648 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.815 -22.074 -0.284 1.00 16.66 H new ATOM 312 N ASP A 19 -16.459 -18.041 6.518 1.00 16.66 N ATOM 313 CA ASP A 19 -17.064 -17.811 7.860 1.00 16.66 C ATOM 314 C ASP A 19 -18.478 -17.251 7.670 1.00 16.66 C ATOM 315 O ASP A 19 -18.658 -16.097 7.336 1.00 16.66 O ATOM 316 CB ASP A 19 -16.207 -16.816 8.646 1.00 16.66 C ATOM 317 CG ASP A 19 -16.460 -17.011 10.136 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.219 -17.900 10.467 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.886 -16.273 10.920 1.00 16.66 O ATOM 0 H ASP A 19 -15.595 -17.530 6.337 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.111 -18.747 8.416 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.151 -16.968 8.420 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.452 -15.795 8.353 1.00 16.66 H new ATOM 324 N ALA A 20 -19.481 -18.069 7.854 1.00 16.66 N ATOM 325 CA ALA A 20 -20.884 -17.599 7.656 1.00 16.66 C ATOM 326 C ALA A 20 -21.275 -16.557 8.710 1.00 16.66 C ATOM 327 O ALA A 20 -21.771 -15.497 8.381 1.00 16.66 O ATOM 328 CB ALA A 20 -21.832 -18.795 7.756 1.00 50.00 C ATOM 0 H ALA A 20 -19.388 -19.046 8.134 1.00 16.66 H new ATOM 0 HA ALA A 20 -20.956 -17.136 6.672 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.859 -18.458 7.612 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.579 -19.525 6.988 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.735 -19.255 8.740 1.00 50.00 H new ATOM 334 N ASN A 21 -21.077 -16.839 9.970 1.00 16.66 N ATOM 335 CA ASN A 21 -21.467 -15.841 11.008 1.00 16.66 C ATOM 336 C ASN A 21 -20.317 -14.861 11.245 1.00 16.66 C ATOM 337 O ASN A 21 -20.528 -13.707 11.558 1.00 16.66 O ATOM 338 CB ASN A 21 -21.846 -16.555 12.313 1.00 16.66 C ATOM 339 CG ASN A 21 -20.637 -17.272 12.919 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.735 -17.675 12.210 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.611 -17.443 14.211 1.00 16.66 N ATOM 0 H ASN A 21 -20.668 -17.704 10.322 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.335 -15.282 10.658 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.239 -15.831 13.027 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.641 -17.275 12.120 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.823 -17.923 14.646 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.378 -17.097 14.787 1.00 16.66 H new ATOM 348 N GLY A 22 -19.103 -15.303 11.079 1.00 16.66 N ATOM 349 CA GLY A 22 -17.948 -14.382 11.278 1.00 16.66 C ATOM 350 C GLY A 22 -17.430 -14.489 12.713 1.00 16.66 C ATOM 351 O GLY A 22 -16.990 -13.518 13.295 1.00 16.66 O ATOM 0 H GLY A 22 -18.860 -16.258 10.815 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.151 -14.629 10.576 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.251 -13.356 11.068 1.00 16.66 H new ATOM 355 N ASP A 23 -17.461 -15.661 13.283 1.00 16.66 N ATOM 356 CA ASP A 23 -16.948 -15.811 14.675 1.00 16.66 C ATOM 357 C ASP A 23 -15.457 -16.155 14.627 1.00 16.66 C ATOM 358 O ASP A 23 -14.830 -16.391 15.642 1.00 16.66 O ATOM 359 CB ASP A 23 -17.722 -16.909 15.415 1.00 16.66 C ATOM 360 CG ASP A 23 -17.577 -18.246 14.688 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.181 -18.234 13.537 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.876 -19.261 15.293 1.00 16.66 O ATOM 0 H ASP A 23 -17.815 -16.514 12.851 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.088 -14.874 15.213 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.350 -17.000 16.435 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.775 -16.637 15.483 1.00 16.66 H new ATOM 367 N GLY A 24 -14.878 -16.164 13.454 1.00 16.66 N ATOM 368 CA GLY A 24 -13.423 -16.469 13.337 1.00 16.66 C ATOM 369 C GLY A 24 -13.209 -17.963 13.084 1.00 16.66 C ATOM 370 O GLY A 24 -12.100 -18.404 12.857 1.00 16.66 O ATOM 0 H GLY A 24 -15.352 -15.973 12.571 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -12.988 -15.890 12.522 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -12.908 -16.171 14.250 1.00 16.66 H new ATOM 374 N LYS A 25 -14.247 -18.751 13.131 1.00 16.66 N ATOM 375 CA LYS A 25 -14.074 -20.212 12.905 1.00 16.66 C ATOM 376 C LYS A 25 -15.103 -20.712 11.887 1.00 16.66 C ATOM 377 O LYS A 25 -16.247 -20.282 11.868 1.00 16.66 O ATOM 378 CB LYS A 25 -14.253 -20.961 14.230 1.00 50.00 C ATOM 379 CG LYS A 25 -15.705 -20.854 14.690 1.00 50.00 C ATOM 380 CD LYS A 25 -15.946 -21.836 15.838 1.00 50.00 C ATOM 381 CE LYS A 25 -17.450 -22.014 16.051 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.107 -22.298 14.745 1.00 50.00 N ATOM 0 H LYS A 25 -15.203 -18.448 13.315 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.073 -20.396 12.516 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -13.977 -22.008 14.107 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.590 -20.543 14.987 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -15.921 -19.836 15.015 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.378 -21.073 13.861 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.484 -22.797 15.612 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.480 -21.466 16.751 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.635 -22.831 16.748 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.874 -21.114 16.495 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.077 -22.634 14.910 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -18.134 -21.429 14.174 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.569 -23.030 14.238 1.00 50.00 H new ATOM 396 N ILE A 26 -14.699 -21.627 11.045 1.00 16.66 N ATOM 397 CA ILE A 26 -15.633 -22.178 10.024 1.00 16.66 C ATOM 398 C ILE A 26 -15.929 -23.643 10.344 1.00 16.66 C ATOM 399 O ILE A 26 -15.038 -24.424 10.611 1.00 16.66 O ATOM 400 CB ILE A 26 -14.988 -22.079 8.643 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.322 -20.712 8.487 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.062 -22.249 7.566 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.830 -20.548 7.050 1.00 16.66 C ATOM 0 H ILE A 26 -13.757 -22.017 11.022 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.563 -21.609 10.034 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.238 -22.862 8.536 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -15.030 -19.920 8.733 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.487 -20.621 9.182 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.603 -22.179 6.580 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.537 -23.224 7.676 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.812 -21.466 7.674 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.355 -19.574 6.937 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.109 -21.332 6.821 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.675 -20.621 6.366 1.00 16.66 H new ATOM 415 N SER A 27 -17.175 -24.021 10.315 1.00 16.66 N ATOM 416 CA SER A 27 -17.537 -25.433 10.610 1.00 16.66 C ATOM 417 C SER A 27 -17.890 -26.138 9.303 1.00 16.66 C ATOM 418 O SER A 27 -18.066 -25.509 8.279 1.00 16.66 O ATOM 419 CB SER A 27 -18.746 -25.465 11.547 1.00 50.00 C ATOM 420 OG SER A 27 -19.936 -25.300 10.789 1.00 50.00 O ATOM 0 H SER A 27 -17.962 -23.409 10.099 1.00 16.66 H new ATOM 0 HA SER A 27 -16.697 -25.937 11.088 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.775 -26.410 12.089 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.664 -24.673 12.292 1.00 50.00 H new ATOM 0 HG SER A 27 -20.711 -25.322 11.388 1.00 50.00 H new ATOM 426 N ALA A 28 -17.997 -27.436 9.323 1.00 16.66 N ATOM 427 CA ALA A 28 -18.342 -28.159 8.071 1.00 16.66 C ATOM 428 C ALA A 28 -19.569 -27.505 7.442 1.00 16.66 C ATOM 429 O ALA A 28 -19.615 -27.261 6.253 1.00 16.66 O ATOM 430 CB ALA A 28 -18.643 -29.625 8.389 1.00 50.00 C ATOM 0 H ALA A 28 -17.862 -28.023 10.146 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.504 -28.112 7.375 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.896 -30.152 7.469 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.766 -30.086 8.843 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.482 -29.682 9.082 1.00 50.00 H new ATOM 436 N ALA A 29 -20.563 -27.217 8.232 1.00 16.66 N ATOM 437 CA ALA A 29 -21.787 -26.575 7.681 1.00 16.66 C ATOM 438 C ALA A 29 -21.405 -25.265 6.994 1.00 16.66 C ATOM 439 O ALA A 29 -21.909 -24.936 5.939 1.00 16.66 O ATOM 440 CB ALA A 29 -22.773 -26.289 8.817 1.00 50.00 C ATOM 0 H ALA A 29 -20.581 -27.398 9.236 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.255 -27.244 6.958 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.669 -25.819 8.411 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.044 -27.224 9.307 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.309 -25.620 9.542 1.00 50.00 H new ATOM 446 N GLU A 30 -20.514 -24.516 7.581 1.00 16.66 N ATOM 447 CA GLU A 30 -20.099 -23.233 6.954 1.00 16.66 C ATOM 448 C GLU A 30 -19.201 -23.527 5.755 1.00 16.66 C ATOM 449 O GLU A 30 -19.457 -23.085 4.652 1.00 16.66 O ATOM 450 CB GLU A 30 -19.340 -22.383 7.978 1.00 16.66 C ATOM 451 CG GLU A 30 -20.293 -21.979 9.108 1.00 16.66 C ATOM 452 CD GLU A 30 -19.556 -21.081 10.106 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.536 -21.499 10.603 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.025 -19.992 10.359 1.00 16.66 O ATOM 0 H GLU A 30 -20.057 -24.737 8.466 1.00 16.66 H new ATOM 0 HA GLU A 30 -20.980 -22.685 6.620 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.497 -22.945 8.381 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.930 -21.495 7.498 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.156 -21.453 8.699 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.671 -22.868 9.613 1.00 16.66 H new ATOM 461 N LEU A 31 -18.151 -24.271 5.957 1.00 16.66 N ATOM 462 CA LEU A 31 -17.238 -24.596 4.830 1.00 16.66 C ATOM 463 C LEU A 31 -18.029 -25.334 3.753 1.00 16.66 C ATOM 464 O LEU A 31 -17.942 -25.030 2.580 1.00 16.66 O ATOM 465 CB LEU A 31 -16.112 -25.491 5.354 1.00 16.66 C ATOM 466 CG LEU A 31 -14.925 -25.469 4.386 1.00 16.66 C ATOM 467 CD1 LEU A 31 -13.694 -26.057 5.080 1.00 16.66 C ATOM 468 CD2 LEU A 31 -15.251 -26.304 3.147 1.00 16.66 C ATOM 0 H LEU A 31 -17.886 -24.669 6.858 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.813 -23.686 4.407 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.794 -25.149 6.339 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.475 -26.512 5.473 1.00 16.66 H new ATOM 0 HG LEU A 31 -14.725 -24.440 4.086 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -12.848 -26.043 4.393 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -13.455 -25.463 5.962 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.901 -27.084 5.379 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -14.403 -26.285 2.462 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -15.454 -27.333 3.445 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -16.129 -25.890 2.650 1.00 16.66 H new ATOM 480 N GLY A 32 -18.805 -26.303 4.148 1.00 16.66 N ATOM 481 CA GLY A 32 -19.608 -27.066 3.158 1.00 16.66 C ATOM 482 C GLY A 32 -20.567 -26.117 2.441 1.00 16.66 C ATOM 483 O GLY A 32 -20.745 -26.187 1.241 1.00 16.66 O ATOM 0 H GLY A 32 -18.917 -26.599 5.118 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.950 -27.550 2.436 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.168 -27.856 3.659 1.00 16.66 H new ATOM 487 N GLU A 33 -21.192 -25.236 3.168 1.00 16.66 N ATOM 488 CA GLU A 33 -22.145 -24.287 2.533 1.00 16.66 C ATOM 489 C GLU A 33 -21.431 -23.479 1.454 1.00 16.66 C ATOM 490 O GLU A 33 -21.960 -23.256 0.383 1.00 16.66 O ATOM 491 CB GLU A 33 -22.698 -23.342 3.598 1.00 50.00 C ATOM 492 CG GLU A 33 -23.907 -23.988 4.277 1.00 50.00 C ATOM 493 CD GLU A 33 -25.164 -23.713 3.447 1.00 50.00 C ATOM 494 OE1 GLU A 33 -25.082 -22.913 2.531 1.00 50.00 O ATOM 495 OE2 GLU A 33 -26.186 -24.309 3.745 1.00 50.00 O ATOM 0 H GLU A 33 -21.084 -25.132 4.177 1.00 16.66 H new ATOM 0 HA GLU A 33 -22.962 -24.846 2.077 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -21.928 -23.120 4.337 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -22.986 -22.394 3.144 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -23.751 -25.062 4.376 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -24.028 -23.589 5.284 1.00 50.00 H new ATOM 502 N ALA A 34 -20.234 -23.043 1.717 1.00 16.66 N ATOM 503 CA ALA A 34 -19.497 -22.257 0.691 1.00 16.66 C ATOM 504 C ALA A 34 -19.083 -23.195 -0.441 1.00 16.66 C ATOM 505 O ALA A 34 -19.123 -22.843 -1.603 1.00 16.66 O ATOM 506 CB ALA A 34 -18.253 -21.630 1.321 1.00 50.00 C ATOM 0 H ALA A 34 -19.735 -23.195 2.593 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.135 -21.464 0.301 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.714 -21.055 0.568 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.551 -20.971 2.137 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.605 -22.417 1.708 1.00 50.00 H new ATOM 512 N LEU A 35 -18.683 -24.387 -0.104 1.00 99.99 N ATOM 513 CA LEU A 35 -18.260 -25.357 -1.145 1.00 99.99 C ATOM 514 C LEU A 35 -19.413 -25.624 -2.111 1.00 99.99 C ATOM 515 O LEU A 35 -19.206 -25.833 -3.290 1.00 99.99 O ATOM 516 CB LEU A 35 -17.844 -26.665 -0.473 1.00 99.99 C ATOM 517 CG LEU A 35 -16.490 -26.480 0.213 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.976 -27.835 0.705 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.489 -25.888 -0.782 1.00 99.99 C ATOM 0 H LEU A 35 -18.631 -24.732 0.855 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.419 -24.944 -1.702 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.595 -26.966 0.257 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.782 -27.463 -1.213 1.00 99.99 H new ATOM 0 HG LEU A 35 -16.604 -25.804 1.061 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -15.011 -27.702 1.194 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.687 -28.258 1.415 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.864 -28.511 -0.143 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.524 -25.756 -0.293 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.376 -26.563 -1.630 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.853 -24.922 -1.133 1.00 99.99 H new ATOM 531 N LYS A 36 -20.627 -25.626 -1.629 1.00 99.99 N ATOM 532 CA LYS A 36 -21.783 -25.889 -2.533 1.00 99.99 C ATOM 533 C LYS A 36 -21.603 -25.106 -3.834 1.00 99.99 C ATOM 534 O LYS A 36 -22.082 -25.501 -4.878 1.00 99.99 O ATOM 535 CB LYS A 36 -23.076 -25.445 -1.846 1.00 99.99 C ATOM 536 CG LYS A 36 -23.855 -26.677 -1.381 1.00 99.99 C ATOM 537 CD LYS A 36 -25.043 -26.235 -0.524 1.00 99.99 C ATOM 538 CE LYS A 36 -25.059 -27.037 0.779 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.145 -26.526 1.662 1.00 99.99 N ATOM 0 H LYS A 36 -20.867 -25.458 -0.652 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.835 -26.955 -2.756 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.847 -24.804 -0.995 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.683 -24.856 -2.534 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.206 -27.245 -2.242 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.204 -27.337 -0.807 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -24.972 -25.169 -0.307 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.975 -26.387 -1.069 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -25.216 -28.094 0.566 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -24.096 -26.953 1.283 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -25.729 -26.124 2.526 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -26.682 -25.790 1.161 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -26.783 -27.307 1.916 1.00 99.99 H new ATOM 553 N THR A 37 -20.917 -23.999 -3.780 1.00 99.99 N ATOM 554 CA THR A 37 -20.707 -23.190 -5.012 1.00 99.99 C ATOM 555 C THR A 37 -20.139 -24.087 -6.112 1.00 99.99 C ATOM 556 O THR A 37 -20.306 -23.829 -7.288 1.00 99.99 O ATOM 557 CB THR A 37 -19.725 -22.055 -4.708 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.778 -21.093 -5.753 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.305 -22.614 -4.598 1.00 99.99 C ATOM 0 H THR A 37 -20.492 -23.619 -2.934 1.00 99.99 H new ATOM 0 HA THR A 37 -21.655 -22.767 -5.345 1.00 99.99 H new ATOM 0 HB THR A 37 -19.998 -21.584 -3.764 1.00 99.99 H new ATOM 0 HG1 THR A 37 -20.048 -20.225 -5.386 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.610 -21.802 -4.382 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.265 -23.350 -3.795 1.00 99.99 H new ATOM 0 HG23 THR A 37 -18.027 -23.089 -5.539 1.00 99.99 H new ATOM 567 N LEU A 38 -19.470 -25.143 -5.738 1.00 16.66 N ATOM 568 CA LEU A 38 -18.894 -26.060 -6.759 1.00 16.66 C ATOM 569 C LEU A 38 -20.028 -26.707 -7.555 1.00 16.66 C ATOM 570 O LEU A 38 -19.882 -27.027 -8.718 1.00 16.66 O ATOM 571 CB LEU A 38 -18.070 -27.147 -6.065 1.00 50.00 C ATOM 572 CG LEU A 38 -16.764 -26.543 -5.545 1.00 50.00 C ATOM 573 CD1 LEU A 38 -16.615 -26.856 -4.055 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.584 -27.143 -6.312 1.00 50.00 C ATOM 0 H LEU A 38 -19.298 -25.410 -4.769 1.00 16.66 H new ATOM 0 HA LEU A 38 -18.250 -25.496 -7.434 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.638 -27.578 -5.240 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.856 -27.957 -6.762 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.780 -25.463 -5.690 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -15.685 -26.426 -3.684 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -17.456 -26.429 -3.508 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -16.598 -27.936 -3.910 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.653 -26.713 -5.942 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.568 -28.223 -6.167 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -15.689 -26.921 -7.374 1.00 50.00 H new ATOM 586 N GLY A 39 -21.162 -26.897 -6.937 1.00 16.66 N ATOM 587 CA GLY A 39 -22.311 -27.518 -7.654 1.00 16.66 C ATOM 588 C GLY A 39 -22.006 -28.990 -7.942 1.00 16.66 C ATOM 589 O GLY A 39 -22.753 -29.665 -8.621 1.00 16.66 O ATOM 0 H GLY A 39 -21.342 -26.648 -5.964 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.215 -27.435 -7.051 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.500 -26.987 -8.587 1.00 16.66 H new ATOM 593 N SER A 40 -20.914 -29.494 -7.434 1.00 16.66 N ATOM 594 CA SER A 40 -20.570 -30.921 -7.685 1.00 16.66 C ATOM 595 C SER A 40 -19.681 -31.444 -6.555 1.00 16.66 C ATOM 596 O SER A 40 -18.575 -31.892 -6.782 1.00 16.66 O ATOM 597 CB SER A 40 -19.823 -31.035 -9.014 1.00 16.66 C ATOM 598 OG SER A 40 -19.079 -32.245 -9.038 1.00 16.66 O ATOM 0 H SER A 40 -20.247 -28.980 -6.858 1.00 16.66 H new ATOM 0 HA SER A 40 -21.485 -31.512 -7.726 1.00 16.66 H new ATOM 0 HB2 SER A 40 -20.530 -31.014 -9.843 1.00 16.66 H new ATOM 0 HB3 SER A 40 -19.156 -30.183 -9.142 1.00 16.66 H new ATOM 0 HG SER A 40 -18.382 -32.214 -8.350 1.00 16.66 H new ATOM 604 N ILE A 41 -20.153 -31.395 -5.340 1.00 16.66 N ATOM 605 CA ILE A 41 -19.329 -31.894 -4.203 1.00 16.66 C ATOM 606 C ILE A 41 -20.240 -32.559 -3.165 1.00 16.66 C ATOM 607 O ILE A 41 -21.449 -32.439 -3.216 1.00 16.66 O ATOM 608 CB ILE A 41 -18.566 -30.723 -3.567 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.326 -31.255 -2.844 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.460 -29.987 -2.562 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.443 -30.082 -2.413 1.00 16.66 C ATOM 0 H ILE A 41 -21.072 -31.032 -5.085 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.610 -32.628 -4.566 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.269 -30.029 -4.353 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.623 -31.840 -1.973 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.768 -31.922 -3.501 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.905 -29.160 -2.119 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.341 -29.600 -3.074 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.770 -30.677 -1.777 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.560 -30.461 -1.898 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -16.135 -29.516 -3.292 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -17.004 -29.432 -1.741 1.00 16.66 H new ATOM 623 N THR A 42 -19.668 -33.252 -2.221 1.00 16.66 N ATOM 624 CA THR A 42 -20.495 -33.919 -1.176 1.00 16.66 C ATOM 625 C THR A 42 -20.040 -33.432 0.195 1.00 16.66 C ATOM 626 O THR A 42 -18.982 -32.852 0.336 1.00 16.66 O ATOM 627 CB THR A 42 -20.321 -35.448 -1.250 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.539 -35.892 -0.148 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.621 -35.839 -2.553 1.00 16.66 C ATOM 0 H THR A 42 -18.661 -33.386 -2.127 1.00 16.66 H new ATOM 0 HA THR A 42 -21.545 -33.674 -1.339 1.00 16.66 H new ATOM 0 HB THR A 42 -21.305 -35.915 -1.218 1.00 16.66 H new ATOM 0 HG1 THR A 42 -18.920 -36.590 -0.447 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.504 -36.922 -2.593 1.00 16.66 H new ATOM 0 HG22 THR A 42 -20.220 -35.507 -3.401 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.640 -35.367 -2.595 1.00 16.66 H new ATOM 637 N PRO A 43 -20.845 -33.696 1.229 1.00 16.66 N ATOM 638 CA PRO A 43 -20.507 -33.305 2.595 1.00 16.66 C ATOM 639 C PRO A 43 -19.334 -34.139 3.104 1.00 16.66 C ATOM 640 O PRO A 43 -18.511 -33.680 3.871 1.00 16.66 O ATOM 641 CB PRO A 43 -21.774 -33.627 3.388 1.00 50.00 C ATOM 642 CG PRO A 43 -22.452 -34.691 2.590 1.00 50.00 C ATOM 643 CD PRO A 43 -22.140 -34.393 1.150 1.00 50.00 C ATOM 0 HA PRO A 43 -20.209 -32.260 2.680 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.536 -33.975 4.393 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.408 -32.747 3.497 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.089 -35.680 2.871 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.528 -34.684 2.765 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -22.073 -35.304 0.555 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.907 -33.769 0.692 1.00 50.00 H new ATOM 651 N ASP A 44 -19.260 -35.369 2.676 1.00 16.66 N ATOM 652 CA ASP A 44 -18.152 -36.256 3.124 1.00 16.66 C ATOM 653 C ASP A 44 -16.811 -35.689 2.659 1.00 16.66 C ATOM 654 O ASP A 44 -15.791 -35.904 3.283 1.00 16.66 O ATOM 655 CB ASP A 44 -18.347 -37.653 2.533 1.00 50.00 C ATOM 656 CG ASP A 44 -19.594 -38.296 3.143 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.127 -37.732 4.085 1.00 50.00 O ATOM 658 OD2 ASP A 44 -19.996 -39.340 2.658 1.00 50.00 O ATOM 0 H ASP A 44 -19.923 -35.799 2.032 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.158 -36.315 4.212 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.450 -37.590 1.450 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.471 -38.270 2.734 1.00 50.00 H new ATOM 663 N GLU A 45 -16.792 -34.959 1.576 1.00 16.66 N ATOM 664 CA GLU A 45 -15.506 -34.384 1.099 1.00 16.66 C ATOM 665 C GLU A 45 -15.227 -33.113 1.894 1.00 16.66 C ATOM 666 O GLU A 45 -14.101 -32.802 2.223 1.00 16.66 O ATOM 667 CB GLU A 45 -15.612 -34.048 -0.389 1.00 16.66 C ATOM 668 CG GLU A 45 -15.720 -35.342 -1.198 1.00 16.66 C ATOM 669 CD GLU A 45 -15.672 -35.015 -2.692 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.652 -33.841 -3.021 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.656 -35.946 -3.481 1.00 16.66 O ATOM 0 H GLU A 45 -17.608 -34.738 1.005 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.698 -35.101 1.240 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.484 -33.420 -0.570 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.738 -33.479 -0.707 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -14.905 -36.016 -0.936 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.650 -35.857 -0.957 1.00 16.66 H new ATOM 678 N VAL A 46 -16.258 -32.385 2.212 1.00 16.66 N ATOM 679 CA VAL A 46 -16.076 -31.135 2.996 1.00 16.66 C ATOM 680 C VAL A 46 -15.598 -31.494 4.402 1.00 16.66 C ATOM 681 O VAL A 46 -14.807 -30.792 5.002 1.00 16.66 O ATOM 682 CB VAL A 46 -17.409 -30.396 3.082 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.278 -29.210 4.040 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.793 -29.893 1.691 1.00 50.00 C ATOM 0 H VAL A 46 -17.223 -32.603 1.962 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.338 -30.496 2.511 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.180 -31.072 3.453 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.231 -28.684 4.100 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -17.000 -29.571 5.030 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.510 -28.529 3.673 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.745 -29.364 1.745 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -17.022 -29.216 1.323 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.887 -30.740 1.011 1.00 50.00 H new ATOM 694 N LYS A 47 -16.066 -32.592 4.925 1.00 16.66 N ATOM 695 CA LYS A 47 -15.635 -33.010 6.287 1.00 16.66 C ATOM 696 C LYS A 47 -14.163 -33.412 6.237 1.00 16.66 C ATOM 697 O LYS A 47 -13.400 -33.141 7.142 1.00 16.66 O ATOM 698 CB LYS A 47 -16.476 -34.199 6.753 1.00 16.66 C ATOM 699 CG LYS A 47 -17.915 -33.742 7.000 1.00 16.66 C ATOM 700 CD LYS A 47 -18.722 -34.898 7.593 1.00 16.66 C ATOM 701 CE LYS A 47 -20.195 -34.494 7.690 1.00 50.00 C ATOM 702 NZ LYS A 47 -20.651 -34.615 9.104 1.00 50.00 N ATOM 0 H LYS A 47 -16.729 -33.218 4.468 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.770 -32.184 6.986 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.458 -34.988 6.001 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.055 -34.620 7.666 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -17.926 -32.890 7.680 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.368 -33.410 6.066 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.618 -35.786 6.970 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.338 -35.155 8.580 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.326 -33.470 7.341 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.801 -35.131 7.045 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -21.652 -34.341 9.171 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -20.540 -35.599 9.422 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.080 -33.990 9.708 1.00 50.00 H new ATOM 716 N HIS A 48 -13.758 -34.053 5.176 1.00 16.66 N ATOM 717 CA HIS A 48 -12.334 -34.469 5.055 1.00 16.66 C ATOM 718 C HIS A 48 -11.457 -33.223 4.928 1.00 16.66 C ATOM 719 O HIS A 48 -10.364 -33.165 5.457 1.00 16.66 O ATOM 720 CB HIS A 48 -12.163 -35.343 3.812 1.00 16.66 C ATOM 721 CG HIS A 48 -10.720 -35.744 3.676 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.074 -35.777 2.450 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.784 -36.131 4.603 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.807 -36.172 2.669 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.577 -36.401 3.965 1.00 50.00 N ATOM 0 H HIS A 48 -14.353 -34.307 4.387 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.040 -35.036 5.938 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.792 -36.230 3.888 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.486 -34.799 2.924 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.958 -36.213 5.666 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.066 -36.290 1.892 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.704 -36.708 4.395 1.00 50.00 H new ATOM 733 N MET A 49 -11.930 -32.220 4.236 1.00 16.66 N ATOM 734 CA MET A 49 -11.125 -30.981 4.086 1.00 16.66 C ATOM 735 C MET A 49 -10.876 -30.386 5.468 1.00 16.66 C ATOM 736 O MET A 49 -9.768 -30.031 5.816 1.00 16.66 O ATOM 737 CB MET A 49 -11.892 -29.980 3.228 1.00 16.66 C ATOM 738 CG MET A 49 -11.673 -30.299 1.749 1.00 16.66 C ATOM 739 SD MET A 49 -11.966 -28.811 0.760 1.00 16.66 S ATOM 740 CE MET A 49 -12.522 -29.644 -0.747 1.00 16.66 C ATOM 0 H MET A 49 -12.838 -32.209 3.771 1.00 16.66 H new ATOM 0 HA MET A 49 -10.173 -31.210 3.606 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.955 -30.021 3.466 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.556 -28.966 3.446 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.657 -30.660 1.590 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.347 -31.096 1.434 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.761 -28.900 -1.507 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.731 -30.297 -1.115 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.410 -30.238 -0.528 1.00 16.66 H new ATOM 750 N MET A 50 -11.904 -30.283 6.259 1.00 16.66 N ATOM 751 CA MET A 50 -11.739 -29.720 7.622 1.00 16.66 C ATOM 752 C MET A 50 -10.775 -30.601 8.414 1.00 16.66 C ATOM 753 O MET A 50 -9.858 -30.124 9.048 1.00 16.66 O ATOM 754 CB MET A 50 -13.099 -29.687 8.317 1.00 16.66 C ATOM 755 CG MET A 50 -13.904 -28.495 7.797 1.00 16.66 C ATOM 756 SD MET A 50 -15.286 -28.170 8.919 1.00 16.66 S ATOM 757 CE MET A 50 -14.318 -27.437 10.259 1.00 50.00 C ATOM 0 H MET A 50 -12.854 -30.566 6.018 1.00 16.66 H new ATOM 0 HA MET A 50 -11.338 -28.708 7.562 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.639 -30.615 8.129 1.00 16.66 H new ATOM 0 HB3 MET A 50 -12.967 -29.608 9.396 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.265 -27.615 7.724 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.276 -28.703 6.794 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.962 -26.803 10.868 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.897 -28.229 10.879 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.511 -26.837 9.839 1.00 50.00 H new ATOM 767 N ALA A 51 -10.973 -31.886 8.375 1.00 16.66 N ATOM 768 CA ALA A 51 -10.066 -32.802 9.121 1.00 16.66 C ATOM 769 C ALA A 51 -8.629 -32.588 8.640 1.00 16.66 C ATOM 770 O ALA A 51 -7.679 -32.918 9.323 1.00 16.66 O ATOM 771 CB ALA A 51 -10.479 -34.252 8.866 1.00 50.00 C ATOM 0 H ALA A 51 -11.724 -32.344 7.859 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.131 -32.592 10.189 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.814 -34.921 9.413 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.504 -34.403 9.204 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.413 -34.467 7.799 1.00 50.00 H new ATOM 777 N GLU A 52 -8.462 -32.033 7.470 1.00 16.66 N ATOM 778 CA GLU A 52 -7.087 -31.794 6.948 1.00 16.66 C ATOM 779 C GLU A 52 -6.700 -30.337 7.197 1.00 16.66 C ATOM 780 O GLU A 52 -5.568 -30.027 7.512 1.00 16.66 O ATOM 781 CB GLU A 52 -7.054 -32.080 5.445 1.00 16.66 C ATOM 782 CG GLU A 52 -6.971 -33.591 5.215 1.00 16.66 C ATOM 783 CD GLU A 52 -5.525 -34.055 5.390 1.00 16.66 C ATOM 784 OE1 GLU A 52 -4.655 -33.204 5.470 1.00 16.66 O ATOM 785 OE2 GLU A 52 -5.311 -35.256 5.440 1.00 16.66 O ATOM 0 H GLU A 52 -9.218 -31.735 6.854 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.383 -32.452 7.457 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -7.947 -31.677 4.968 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.197 -31.584 4.988 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -7.619 -34.113 5.919 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.324 -33.837 4.214 1.00 16.66 H new ATOM 792 N ILE A 53 -7.637 -29.443 7.062 1.00 16.66 N ATOM 793 CA ILE A 53 -7.341 -28.004 7.291 1.00 16.66 C ATOM 794 C ILE A 53 -7.348 -27.709 8.792 1.00 16.66 C ATOM 795 O ILE A 53 -6.603 -26.880 9.277 1.00 16.66 O ATOM 796 CB ILE A 53 -8.413 -27.166 6.602 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.400 -27.462 5.103 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.126 -25.685 6.839 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.571 -26.745 4.432 1.00 50.00 C ATOM 0 H ILE A 53 -8.601 -29.649 6.801 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.360 -27.760 6.885 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.393 -27.413 7.010 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.458 -27.132 4.664 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.472 -28.536 4.933 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.890 -25.083 6.348 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.135 -25.479 7.909 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.148 -25.434 6.429 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.562 -26.956 3.363 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.508 -27.096 4.863 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.479 -25.671 4.591 1.00 50.00 H new ATOM 811 N ASP A 54 -8.182 -28.386 9.529 1.00 16.66 N ATOM 812 CA ASP A 54 -8.247 -28.164 10.997 1.00 16.66 C ATOM 813 C ASP A 54 -6.880 -28.485 11.608 1.00 16.66 C ATOM 814 O ASP A 54 -6.521 -29.632 11.786 1.00 16.66 O ATOM 815 CB ASP A 54 -9.316 -29.093 11.577 1.00 16.66 C ATOM 816 CG ASP A 54 -9.828 -28.542 12.911 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.301 -27.540 13.359 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.747 -29.130 13.457 1.00 16.66 O ATOM 0 H ASP A 54 -8.827 -29.091 9.172 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.502 -27.128 11.222 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.143 -29.191 10.874 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.901 -30.091 11.722 1.00 16.66 H new ATOM 823 N THR A 55 -6.108 -27.478 11.908 1.00 16.66 N ATOM 824 CA THR A 55 -4.752 -27.711 12.483 1.00 16.66 C ATOM 825 C THR A 55 -4.853 -28.329 13.878 1.00 16.66 C ATOM 826 O THR A 55 -4.184 -29.295 14.188 1.00 16.66 O ATOM 827 CB THR A 55 -4.009 -26.378 12.570 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.747 -25.479 13.386 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.856 -25.789 11.166 1.00 50.00 C ATOM 0 H THR A 55 -6.359 -26.498 11.779 1.00 16.66 H new ATOM 0 HA THR A 55 -4.210 -28.402 11.837 1.00 16.66 H new ATOM 0 HB THR A 55 -3.023 -26.537 13.006 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.703 -25.681 13.314 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.326 -24.838 11.226 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.291 -26.480 10.541 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.842 -25.628 10.729 1.00 50.00 H new ATOM 837 N ASP A 56 -5.676 -27.781 14.725 1.00 16.66 N ATOM 838 CA ASP A 56 -5.805 -28.344 16.101 1.00 16.66 C ATOM 839 C ASP A 56 -6.860 -29.454 16.101 1.00 16.66 C ATOM 840 O ASP A 56 -6.708 -30.471 16.748 1.00 16.66 O ATOM 841 CB ASP A 56 -6.205 -27.232 17.077 1.00 16.66 C ATOM 842 CG ASP A 56 -7.709 -26.969 16.985 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.137 -26.426 15.981 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.407 -27.321 17.920 1.00 16.66 O ATOM 0 H ASP A 56 -6.264 -26.971 14.528 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.849 -28.762 16.417 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -5.939 -27.518 18.095 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.654 -26.320 16.848 1.00 16.66 H new ATOM 849 N GLY A 57 -7.922 -29.267 15.370 1.00 16.66 N ATOM 850 CA GLY A 57 -8.981 -30.314 15.315 1.00 16.66 C ATOM 851 C GLY A 57 -10.158 -29.934 16.218 1.00 16.66 C ATOM 852 O GLY A 57 -10.868 -30.790 16.709 1.00 16.66 O ATOM 0 H GLY A 57 -8.103 -28.435 14.808 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.327 -30.436 14.289 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.569 -31.273 15.629 1.00 16.66 H new ATOM 856 N ASP A 58 -10.385 -28.666 16.440 1.00 16.66 N ATOM 857 CA ASP A 58 -11.534 -28.271 17.307 1.00 16.66 C ATOM 858 C ASP A 58 -12.831 -28.368 16.500 1.00 16.66 C ATOM 859 O ASP A 58 -13.908 -28.116 17.005 1.00 16.66 O ATOM 860 CB ASP A 58 -11.348 -26.834 17.807 1.00 50.00 C ATOM 861 CG ASP A 58 -11.480 -25.861 16.635 1.00 50.00 C ATOM 862 OD1 ASP A 58 -11.014 -26.194 15.561 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.045 -24.799 16.834 1.00 50.00 O ATOM 0 H ASP A 58 -9.832 -27.895 16.064 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.582 -28.940 18.166 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.093 -26.604 18.569 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.369 -26.725 18.275 1.00 50.00 H new ATOM 868 N GLY A 59 -12.741 -28.742 15.251 1.00 16.66 N ATOM 869 CA GLY A 59 -13.969 -28.866 14.418 1.00 16.66 C ATOM 870 C GLY A 59 -14.137 -27.621 13.544 1.00 16.66 C ATOM 871 O GLY A 59 -15.035 -27.544 12.729 1.00 16.66 O ATOM 0 H GLY A 59 -11.868 -28.967 14.773 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.904 -29.755 13.790 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.842 -28.991 15.059 1.00 16.66 H new ATOM 875 N PHE A 60 -13.294 -26.637 13.709 1.00 16.66 N ATOM 876 CA PHE A 60 -13.436 -25.405 12.884 1.00 16.66 C ATOM 877 C PHE A 60 -12.076 -24.916 12.373 1.00 16.66 C ATOM 878 O PHE A 60 -11.021 -25.191 12.940 1.00 16.66 O ATOM 879 CB PHE A 60 -14.066 -24.295 13.721 1.00 50.00 C ATOM 880 CG PHE A 60 -15.273 -24.822 14.451 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.517 -24.846 13.815 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.149 -25.278 15.767 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.640 -25.329 14.494 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.271 -25.761 16.448 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.518 -25.787 15.811 1.00 50.00 C ATOM 0 H PHE A 60 -12.520 -26.633 14.373 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.069 -25.648 12.030 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.338 -23.909 14.435 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.354 -23.463 13.079 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.611 -24.492 12.799 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.187 -25.257 16.257 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.601 -25.349 14.002 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.176 -26.114 17.464 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.385 -26.160 16.336 1.00 50.00 H new ATOM 895 N ILE A 61 -12.107 -24.163 11.305 1.00 16.66 N ATOM 896 CA ILE A 61 -10.859 -23.609 10.733 1.00 16.66 C ATOM 897 C ILE A 61 -10.846 -22.097 10.971 1.00 16.66 C ATOM 898 O ILE A 61 -11.811 -21.411 10.696 1.00 16.66 O ATOM 899 CB ILE A 61 -10.820 -23.884 9.229 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.188 -25.345 8.964 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.412 -23.605 8.699 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.163 -26.262 9.632 1.00 16.66 C ATOM 0 H ILE A 61 -12.958 -23.909 10.803 1.00 16.66 H new ATOM 0 HA ILE A 61 -9.993 -24.073 11.205 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.535 -23.236 8.722 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.185 -25.555 9.351 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.216 -25.535 7.891 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.381 -23.800 7.627 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.153 -22.563 8.886 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.697 -24.253 9.206 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.427 -27.302 9.442 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.173 -26.059 9.224 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.157 -26.080 10.707 1.00 16.66 H new ATOM 914 N SER A 62 -9.767 -21.568 11.472 1.00 16.66 N ATOM 915 CA SER A 62 -9.703 -20.105 11.715 1.00 16.66 C ATOM 916 C SER A 62 -8.938 -19.456 10.566 1.00 16.66 C ATOM 917 O SER A 62 -8.356 -20.131 9.740 1.00 16.66 O ATOM 918 CB SER A 62 -8.976 -19.833 13.034 1.00 16.66 C ATOM 919 OG SER A 62 -8.062 -20.888 13.297 1.00 16.66 O ATOM 0 H SER A 62 -8.926 -22.088 11.724 1.00 16.66 H new ATOM 0 HA SER A 62 -10.710 -19.692 11.774 1.00 16.66 H new ATOM 0 HB2 SER A 62 -8.445 -18.883 12.980 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.696 -19.750 13.848 1.00 16.66 H new ATOM 0 HG SER A 62 -7.595 -20.714 14.141 1.00 16.66 H new ATOM 925 N PHE A 63 -8.929 -18.157 10.498 1.00 16.66 N ATOM 926 CA PHE A 63 -8.194 -17.497 9.391 1.00 16.66 C ATOM 927 C PHE A 63 -6.746 -17.973 9.415 1.00 16.66 C ATOM 928 O PHE A 63 -6.167 -18.298 8.398 1.00 16.66 O ATOM 929 CB PHE A 63 -8.232 -15.982 9.564 1.00 16.66 C ATOM 930 CG PHE A 63 -7.512 -15.355 8.399 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.911 -15.660 7.095 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.440 -14.485 8.620 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.242 -15.091 6.009 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.768 -13.916 7.533 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.170 -14.219 6.226 1.00 16.66 C ATOM 0 H PHE A 63 -9.394 -17.530 11.154 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.661 -17.754 8.440 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.263 -15.630 9.607 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.758 -15.695 10.503 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.737 -16.336 6.927 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.131 -14.253 9.628 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.552 -15.324 5.001 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -4.940 -13.244 7.701 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.653 -13.780 5.386 1.00 16.66 H new ATOM 945 N GLN A 64 -6.159 -18.019 10.576 1.00 16.66 N ATOM 946 CA GLN A 64 -4.750 -18.476 10.683 1.00 16.66 C ATOM 947 C GLN A 64 -4.639 -19.901 10.134 1.00 16.66 C ATOM 948 O GLN A 64 -3.785 -20.200 9.323 1.00 16.66 O ATOM 949 CB GLN A 64 -4.332 -18.458 12.153 1.00 16.66 C ATOM 950 CG GLN A 64 -2.829 -18.725 12.261 1.00 16.66 C ATOM 951 CD GLN A 64 -2.059 -17.582 11.595 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.345 -16.424 11.827 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.086 -17.861 10.771 1.00 50.00 N ATOM 0 H GLN A 64 -6.598 -17.758 11.459 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.099 -17.816 10.109 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.573 -17.493 12.599 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.887 -19.214 12.709 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.539 -18.812 13.308 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.582 -19.672 11.782 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -0.846 -18.833 10.576 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.566 -17.107 10.322 1.00 50.00 H new ATOM 962 N GLU A 65 -5.501 -20.783 10.568 1.00 16.66 N ATOM 963 CA GLU A 65 -5.450 -22.183 10.070 1.00 16.66 C ATOM 964 C GLU A 65 -5.652 -22.187 8.556 1.00 16.66 C ATOM 965 O GLU A 65 -4.932 -22.837 7.822 1.00 16.66 O ATOM 966 CB GLU A 65 -6.565 -22.994 10.733 1.00 16.66 C ATOM 967 CG GLU A 65 -6.216 -23.250 12.201 1.00 16.66 C ATOM 968 CD GLU A 65 -7.322 -24.089 12.850 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.465 -23.894 12.506 1.00 16.66 O ATOM 970 OE2 GLU A 65 -7.007 -24.911 13.680 1.00 16.66 O ATOM 0 H GLU A 65 -6.238 -20.591 11.247 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.483 -22.625 10.311 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.510 -22.456 10.663 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.698 -23.941 10.211 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.261 -23.770 12.274 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -6.105 -22.303 12.730 1.00 16.66 H new ATOM 977 N PHE A 66 -6.627 -21.463 8.084 1.00 16.66 N ATOM 978 CA PHE A 66 -6.883 -21.417 6.618 1.00 16.66 C ATOM 979 C PHE A 66 -5.678 -20.794 5.913 1.00 16.66 C ATOM 980 O PHE A 66 -5.334 -21.161 4.807 1.00 16.66 O ATOM 981 CB PHE A 66 -8.128 -20.572 6.346 1.00 16.66 C ATOM 982 CG PHE A 66 -8.391 -20.521 4.861 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.817 -19.509 4.083 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.211 -21.485 4.262 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.062 -19.460 2.706 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.456 -21.437 2.884 1.00 16.66 C ATOM 987 CZ PHE A 66 -8.881 -20.424 2.106 1.00 16.66 C ATOM 0 H PHE A 66 -7.260 -20.899 8.652 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.042 -22.428 6.242 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.988 -20.997 6.863 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.988 -19.564 6.735 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.185 -18.766 4.546 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.654 -22.265 4.863 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.619 -18.679 2.106 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.088 -22.181 2.421 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.069 -20.387 1.043 1.00 16.66 H new ATOM 997 N THR A 67 -5.032 -19.856 6.548 1.00 16.66 N ATOM 998 CA THR A 67 -3.847 -19.211 5.919 1.00 16.66 C ATOM 999 C THR A 67 -2.723 -20.240 5.791 1.00 16.66 C ATOM 1000 O THR A 67 -2.127 -20.398 4.745 1.00 16.66 O ATOM 1001 CB THR A 67 -3.376 -18.045 6.791 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.325 -16.990 6.721 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.019 -17.547 6.291 1.00 50.00 C ATOM 0 H THR A 67 -5.274 -19.508 7.476 1.00 16.66 H new ATOM 0 HA THR A 67 -4.115 -18.837 4.931 1.00 16.66 H new ATOM 0 HB THR A 67 -3.279 -18.379 7.824 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.105 -17.214 7.271 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.685 -16.717 6.913 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.292 -18.357 6.345 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.112 -17.212 5.258 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.432 -20.945 6.850 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.350 -21.968 6.790 1.00 25.00 C ATOM 1013 C ASP A 68 -1.689 -22.997 5.712 1.00 25.00 C ATOM 1014 O ASP A 68 -0.824 -23.492 5.017 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.232 -22.667 8.145 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.818 -21.650 9.209 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.353 -20.585 8.835 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -0.971 -21.951 10.382 1.00 50.00 O ATOM 0 H ASP A 68 -2.897 -20.857 7.754 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.403 -21.485 6.550 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.184 -23.124 8.415 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.497 -23.470 8.089 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.943 -23.317 5.565 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.348 -24.308 4.533 1.00 25.00 C ATOM 1025 C PHE A 69 -3.395 -23.604 3.171 1.00 25.00 C ATOM 1026 O PHE A 69 -3.040 -24.168 2.156 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.725 -24.880 4.919 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.553 -25.162 3.690 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.141 -24.102 2.996 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.728 -26.476 3.246 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.907 -24.353 1.852 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.493 -26.730 2.103 1.00 50.00 C ATOM 1033 CZ PHE A 69 -7.084 -25.669 1.405 1.00 50.00 C ATOM 0 H PHE A 69 -3.708 -22.932 6.119 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.636 -25.131 4.471 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.595 -25.797 5.493 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.250 -24.173 5.562 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -6.004 -23.088 3.342 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.273 -27.294 3.785 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.361 -23.534 1.315 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.628 -27.745 1.758 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.676 -25.865 0.523 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.830 -22.375 3.150 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.899 -21.631 1.861 1.00 16.66 C ATOM 1045 C GLY A 70 -2.498 -21.536 1.254 1.00 16.66 C ATOM 1046 O GLY A 70 -2.334 -21.467 0.052 1.00 16.66 O ATOM 0 H GLY A 70 -4.141 -21.853 3.970 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.573 -22.139 1.171 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.304 -20.633 2.026 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.484 -21.536 2.077 1.00 25.00 N ATOM 1051 CA ARG A 71 -0.095 -21.451 1.546 1.00 25.00 C ATOM 1052 C ARG A 71 0.277 -22.784 0.895 1.00 25.00 C ATOM 1053 O ARG A 71 0.988 -22.831 -0.088 1.00 25.00 O ATOM 1054 CB ARG A 71 0.875 -21.153 2.692 1.00 50.00 C ATOM 1055 CG ARG A 71 0.592 -19.755 3.248 1.00 50.00 C ATOM 1056 CD ARG A 71 1.626 -19.417 4.325 1.00 50.00 C ATOM 1057 NE ARG A 71 1.688 -20.526 5.319 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.597 -20.512 6.256 1.00 50.00 C ATOM 1059 NH1 ARG A 71 2.323 -19.993 7.422 1.00 50.00 N ATOM 1060 NH2 ARG A 71 3.779 -21.016 6.027 1.00 50.00 N ATOM 0 H ARG A 71 -1.558 -21.591 3.093 1.00 25.00 H new ATOM 0 HA ARG A 71 -0.034 -20.652 0.807 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.765 -21.899 3.479 1.00 50.00 H new ATOM 0 HB3 ARG A 71 1.904 -21.214 2.337 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.632 -19.018 2.446 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.413 -19.715 3.668 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.605 -19.267 3.870 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.359 -18.484 4.821 1.00 50.00 H new ATOM 0 HE ARG A 71 1.021 -21.296 5.267 1.00 50.00 H new ATOM 0 HH11 ARG A 71 1.399 -19.599 7.600 1.00 50.00 H new ATOM 0 HH12 ARG A 71 3.033 -19.982 8.155 1.00 50.00 H new ATOM 0 HH21 ARG A 71 3.993 -21.421 5.116 1.00 50.00 H new ATOM 0 HH22 ARG A 71 4.489 -21.005 6.759 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.205 -23.867 1.438 1.00 25.00 N ATOM 1075 CA ALA A 72 0.113 -25.201 0.855 1.00 25.00 C ATOM 1076 C ALA A 72 -0.557 -25.327 -0.514 1.00 25.00 C ATOM 1077 O ALA A 72 -0.186 -26.152 -1.325 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.410 -26.299 1.783 1.00 50.00 C ATOM 0 H ALA A 72 -0.806 -23.886 2.262 1.00 25.00 H new ATOM 0 HA ALA A 72 1.192 -25.304 0.743 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.178 -27.276 1.358 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.065 -26.206 2.760 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.490 -26.198 1.893 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.544 -24.513 -0.778 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.239 -24.584 -2.092 1.00 25.00 C ATOM 1086 C ASN A 73 -2.638 -23.172 -2.528 1.00 25.00 C ATOM 1087 O ASN A 73 -3.793 -22.891 -2.776 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.493 -25.452 -1.962 1.00 25.00 C ATOM 1089 CG ASN A 73 -3.129 -26.773 -1.285 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.519 -27.633 -1.890 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.480 -26.973 -0.044 1.00 50.00 N ATOM 0 H ASN A 73 -1.898 -23.802 -0.138 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.572 -25.022 -2.835 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.252 -24.929 -1.379 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.921 -25.641 -2.946 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.242 -27.851 0.418 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -3.992 -26.252 0.464 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.687 -22.284 -2.622 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.011 -20.892 -3.040 1.00 25.00 C ATOM 1100 C ARG A 74 -2.825 -20.945 -4.328 1.00 25.00 C ATOM 1101 O ARG A 74 -3.771 -20.205 -4.514 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.717 -20.114 -3.282 1.00 25.00 C ATOM 1103 CG ARG A 74 0.026 -19.933 -1.957 1.00 25.00 C ATOM 1104 CD ARG A 74 1.294 -19.108 -2.191 1.00 25.00 C ATOM 1105 NE ARG A 74 2.123 -19.107 -0.953 1.00 25.00 N ATOM 1106 CZ ARG A 74 3.246 -18.444 -0.920 1.00 50.00 C ATOM 1107 NH1 ARG A 74 4.376 -19.081 -0.773 1.00 50.00 N ATOM 1108 NH2 ARG A 74 3.241 -17.144 -1.034 1.00 50.00 N ATOM 0 H ARG A 74 -0.702 -22.462 -2.428 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.584 -20.393 -2.258 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.087 -20.647 -3.994 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.941 -19.142 -3.721 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.617 -19.433 -1.233 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.284 -20.905 -1.537 1.00 25.00 H new ATOM 0 HD2 ARG A 74 1.863 -19.525 -3.022 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.030 -18.087 -2.465 1.00 25.00 H new ATOM 0 HE ARG A 74 1.812 -19.625 -0.131 1.00 25.00 H new ATOM 0 HH11 ARG A 74 4.381 -20.097 -0.684 1.00 50.00 H new ATOM 0 HH12 ARG A 74 5.254 -18.563 -0.747 1.00 50.00 H new ATOM 0 HH21 ARG A 74 2.359 -16.646 -1.149 1.00 50.00 H new ATOM 0 HH22 ARG A 74 4.120 -16.626 -1.008 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.463 -21.822 -5.218 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.206 -21.942 -6.498 1.00 25.00 C ATOM 1124 C GLY A 75 -4.663 -22.303 -6.209 1.00 25.00 C ATOM 1125 O GLY A 75 -5.551 -22.012 -6.986 1.00 25.00 O ATOM 0 H GLY A 75 -1.678 -22.465 -5.112 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.155 -21.003 -7.050 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.748 -22.706 -7.126 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.918 -22.936 -5.096 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.318 -23.316 -4.760 1.00 25.00 C ATOM 1131 C LEU A 76 -7.104 -22.065 -4.366 1.00 25.00 C ATOM 1132 O LEU A 76 -8.219 -21.856 -4.801 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.315 -24.302 -3.590 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.969 -25.702 -4.102 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -6.081 -26.706 -2.954 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.939 -26.091 -5.218 1.00 50.00 C ATOM 0 H LEU A 76 -4.217 -23.206 -4.406 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.784 -23.783 -5.628 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.590 -23.989 -2.839 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.292 -24.311 -3.106 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.950 -25.706 -4.490 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.835 -27.704 -3.318 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.389 -26.428 -2.159 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -7.099 -26.703 -2.566 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.693 -27.088 -5.583 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.958 -26.087 -4.832 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.858 -25.375 -6.036 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.530 -21.235 -3.544 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.239 -19.997 -3.115 1.00 25.00 C ATOM 1150 C LEU A 77 -7.368 -19.038 -4.299 1.00 25.00 C ATOM 1151 O LEU A 77 -8.156 -18.114 -4.277 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.450 -19.321 -1.993 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.016 -20.372 -0.968 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.514 -19.672 0.296 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.207 -21.266 -0.616 1.00 50.00 C ATOM 0 H LEU A 77 -5.598 -21.360 -3.149 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.234 -20.258 -2.755 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.576 -18.815 -2.403 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -7.063 -18.559 -1.511 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.217 -20.982 -1.389 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.205 -20.419 1.027 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.665 -19.035 0.047 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.314 -19.062 0.716 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -6.897 -22.014 0.114 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -8.007 -20.657 -0.194 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -7.566 -21.764 -1.516 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.605 -19.251 -5.336 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.694 -18.350 -6.519 1.00 25.00 C ATOM 1169 C LYS A 78 -7.900 -18.749 -7.369 1.00 25.00 C ATOM 1170 O LYS A 78 -8.445 -17.953 -8.107 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.416 -18.474 -7.353 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.245 -17.864 -6.583 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.098 -17.565 -7.551 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.634 -18.865 -8.209 1.00 50.00 C ATOM 1175 NZ LYS A 78 -2.187 -18.584 -9.603 1.00 50.00 N ATOM 0 H LYS A 78 -5.926 -20.008 -5.415 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.809 -17.319 -6.185 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.213 -19.522 -7.574 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.542 -17.965 -8.309 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.562 -16.948 -6.084 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -3.910 -18.551 -5.806 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.425 -16.857 -8.312 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.270 -17.099 -7.017 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -1.818 -19.304 -7.636 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.446 -19.592 -8.216 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -1.871 -19.468 -10.051 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -2.978 -18.183 -10.147 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.400 -17.905 -9.585 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.323 -19.980 -7.269 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.494 -20.435 -8.068 1.00 25.00 C ATOM 1191 C ASP A 79 -10.770 -20.246 -7.251 1.00 25.00 C ATOM 1192 O ASP A 79 -11.750 -19.704 -7.721 1.00 25.00 O ATOM 1193 CB ASP A 79 -9.326 -21.914 -8.410 1.00 25.00 C ATOM 1194 CG ASP A 79 -8.526 -22.052 -9.708 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -8.298 -21.039 -10.349 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -8.155 -23.165 -10.037 1.00 50.00 O ATOM 0 H ASP A 79 -7.907 -20.691 -6.667 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.560 -19.851 -8.986 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.813 -22.430 -7.598 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -10.302 -22.386 -8.521 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.761 -20.687 -6.026 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.967 -20.537 -5.167 1.00 25.00 C ATOM 1203 C VAL A 80 -12.312 -19.057 -5.042 1.00 25.00 C ATOM 1204 O VAL A 80 -13.455 -18.656 -5.144 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.672 -21.114 -3.780 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -10.825 -20.128 -2.968 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -12.989 -21.377 -3.049 1.00 50.00 C ATOM 0 H VAL A 80 -9.967 -21.147 -5.580 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.807 -21.070 -5.611 1.00 25.00 H new ATOM 0 HB VAL A 80 -11.120 -22.047 -3.892 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.621 -20.549 -1.983 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -9.884 -19.944 -3.486 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.367 -19.189 -2.856 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -12.781 -21.788 -2.061 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.540 -20.442 -2.945 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.586 -22.088 -3.620 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.321 -18.246 -4.822 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.568 -16.784 -4.687 1.00 25.00 C ATOM 1219 C ALA A 81 -12.426 -16.303 -5.856 1.00 25.00 C ATOM 1220 O ALA A 81 -13.323 -15.500 -5.695 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.232 -16.038 -4.693 1.00 50.00 C ATOM 0 H ALA A 81 -10.346 -18.531 -4.729 1.00 25.00 H new ATOM 0 HA ALA A 81 -12.089 -16.588 -3.750 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.413 -14.968 -4.594 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.620 -16.381 -3.859 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.711 -16.233 -5.630 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.154 -16.787 -7.035 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.951 -16.360 -8.219 1.00 25.00 C ATOM 1229 C LYS A 82 -14.402 -16.812 -8.050 1.00 25.00 C ATOM 1230 O LYS A 82 -15.313 -16.226 -8.600 1.00 25.00 O ATOM 1231 CB LYS A 82 -12.362 -16.991 -9.483 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.897 -16.572 -9.626 1.00 25.00 C ATOM 1233 CD LYS A 82 -10.352 -17.071 -10.965 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.843 -16.823 -11.025 1.00 50.00 C ATOM 1235 NZ LYS A 82 -8.125 -18.129 -11.041 1.00 50.00 N ATOM 0 H LYS A 82 -11.413 -17.461 -7.231 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.919 -15.274 -8.306 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -12.437 -18.077 -9.429 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.929 -16.675 -10.359 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.811 -15.487 -9.568 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -10.308 -16.983 -8.806 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -10.562 -18.134 -11.082 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.849 -16.556 -11.787 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.593 -16.248 -11.917 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.526 -16.232 -10.165 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -7.164 -17.992 -11.415 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -8.070 -18.507 -10.074 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.639 -18.801 -11.646 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.624 -17.851 -7.292 1.00 25.00 N ATOM 1250 CA ILE A 83 -16.017 -18.338 -7.087 1.00 25.00 C ATOM 1251 C ILE A 83 -16.809 -17.295 -6.300 1.00 25.00 C ATOM 1252 O ILE A 83 -17.985 -17.089 -6.528 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.984 -19.652 -6.304 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -15.309 -20.734 -7.150 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.414 -20.080 -5.968 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -16.246 -21.156 -8.283 1.00 50.00 C ATOM 0 H ILE A 83 -13.902 -18.383 -6.806 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.493 -18.502 -8.054 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.421 -19.512 -5.381 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.372 -20.358 -7.560 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -15.062 -21.595 -6.529 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.392 -21.016 -5.410 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.892 -19.309 -5.364 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.978 -20.220 -6.890 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -15.765 -21.927 -8.885 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -17.171 -21.549 -7.862 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -16.470 -20.293 -8.910 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.172 -16.635 -5.375 1.00 25.00 N ATOM 1269 CA PHE A 84 -16.883 -15.603 -4.569 1.00 25.00 C ATOM 1270 C PHE A 84 -16.379 -14.213 -4.962 1.00 25.00 C ATOM 1271 O PHE A 84 -15.506 -14.139 -5.811 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.611 -15.843 -3.083 1.00 50.00 C ATOM 1273 CG PHE A 84 -17.074 -17.230 -2.706 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.239 -18.331 -2.932 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.336 -17.415 -2.130 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.668 -19.617 -2.583 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.765 -18.700 -1.780 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.931 -19.802 -2.007 1.00 50.00 C ATOM 1279 OXT PHE A 84 -16.875 -13.246 -4.407 1.00 99.99 O ATOM 0 H PHE A 84 -15.188 -16.765 -5.141 1.00 25.00 H new ATOM 0 HA PHE A 84 -17.955 -15.667 -4.758 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.547 -15.734 -2.875 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.132 -15.098 -2.482 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.265 -18.188 -3.375 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.979 -16.565 -1.956 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -16.025 -20.467 -2.758 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.739 -18.842 -1.335 1.00 50.00 H new ATOM 0 HZ PHE A 84 -18.262 -20.794 -1.738 1.00 50.00 H new TER 1289 PHE A 84 HETATM 1290 CA CA A1085 -18.186 -19.444 11.903 1.00 14.39 CA HETATM 1291 CA CA A1086 -9.359 -25.389 14.239 1.00 13.26 CA