USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot -95:sc= 1.3 USER MOD Set 1.2: A 76 ASN : amide:sc= 0.951 K(o=2.2,f=-5.1!) USER MOD Set 2.1: A 34 HIS : no HD1:sc= -0.701 K(o=0.0045,f=-9!) USER MOD Set 2.2: A 35 THR OG1 : rot 40:sc= 0.705 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 43:sc= 0.694 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 121:sc= -0.303 USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -0.083 (180deg=-0.631) USER MOD Single : A 50 LYS NZ :NH3+ -159:sc=-0.00197 (180deg=-0.116) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -68:sc= -0.22 USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 1.18 (180deg=0.997) USER MOD Single : A 61 THR OG1 : rot -86:sc= 1.23 USER MOD Single : A 63 MET CE :methyl 156:sc= -0.107 (180deg=-0.794) USER MOD Single : A 65 MET CE :methyl 177:sc= -1.22 (180deg=-1.26) USER MOD Single : A 69 MET CE :methyl 153:sc= -0.12 (180deg=-0.866) USER MOD Single : A 71 ASN : amide:sc= -1.8! C(o=-1.8!,f=-1.1!) USER MOD Single : A 72 ASN : amide:sc= -0.339 K(o=-0.34,f=-1.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N CYS A 28 11.338 3.280 0.784 1.00 0.00 N ATOM 42 CA CYS A 28 12.789 3.349 0.895 1.00 0.00 C ATOM 43 C CYS A 28 13.201 3.551 2.349 1.00 0.00 C ATOM 44 O CYS A 28 12.516 4.230 3.112 1.00 0.00 O ATOM 45 CB CYS A 28 13.326 4.502 0.045 1.00 0.00 C ATOM 46 SG CYS A 28 12.898 4.223 -1.692 1.00 0.00 S ATOM 0 HA CYS A 28 13.209 2.410 0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.904 5.447 0.387 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.408 4.577 0.156 1.00 0.00 H new ATOM 0 HG CYS A 28 13.352 5.204 -2.414 1.00 0.00 H new ATOM 52 N GLY A 29 14.322 2.945 2.725 1.00 0.00 N ATOM 53 CA GLY A 29 14.819 3.050 4.093 1.00 0.00 C ATOM 54 C GLY A 29 15.958 2.063 4.332 1.00 0.00 C ATOM 55 O GLY A 29 16.787 1.831 3.451 1.00 0.00 O ATOM 0 H GLY A 29 14.902 2.379 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.166 4.066 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.009 2.854 4.795 1.00 0.00 H new ATOM 59 N ARG A 30 15.992 1.481 5.528 1.00 0.00 N ATOM 60 CA ARG A 30 17.033 0.518 5.868 1.00 0.00 C ATOM 61 C ARG A 30 16.437 -0.877 6.028 1.00 0.00 C ATOM 62 O ARG A 30 15.302 -1.031 6.477 1.00 0.00 O ATOM 63 CB ARG A 30 17.723 0.934 7.168 1.00 0.00 C ATOM 64 CG ARG A 30 19.067 1.593 6.847 1.00 0.00 C ATOM 65 CD ARG A 30 18.831 2.980 6.244 1.00 0.00 C ATOM 66 NE ARG A 30 18.433 3.927 7.282 1.00 0.00 N ATOM 67 CZ ARG A 30 18.034 5.166 6.990 1.00 0.00 C ATOM 68 NH1 ARG A 30 17.979 5.577 5.748 1.00 0.00 N ATOM 69 NH2 ARG A 30 17.694 5.980 7.952 1.00 0.00 N ATOM 0 H ARG A 30 15.317 1.658 6.272 1.00 0.00 H new ATOM 0 HA ARG A 30 17.764 0.498 5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.090 1.627 7.722 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.876 0.063 7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.667 1.677 7.753 1.00 0.00 H new ATOM 0 HG3 ARG A 30 19.629 0.973 6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.740 3.329 5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.057 2.924 5.479 1.00 0.00 H new ATOM 0 HE ARG A 30 18.461 3.633 8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.243 4.947 4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.672 6.527 5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.734 5.668 8.922 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.388 6.928 7.734 1.00 0.00 H new ATOM 83 N ALA A 31 17.205 -1.893 5.654 1.00 0.00 N ATOM 84 CA ALA A 31 16.737 -3.268 5.767 1.00 0.00 C ATOM 85 C ALA A 31 17.603 -4.036 6.760 1.00 0.00 C ATOM 86 O ALA A 31 18.827 -4.078 6.624 1.00 0.00 O ATOM 87 CB ALA A 31 16.783 -3.947 4.394 1.00 0.00 C ATOM 0 H ALA A 31 18.146 -1.792 5.273 1.00 0.00 H new ATOM 0 HA ALA A 31 15.708 -3.265 6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.432 -4.975 4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.143 -3.405 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.807 -3.945 4.021 1.00 0.00 H new ATOM 93 N ARG A 32 16.966 -4.636 7.759 1.00 0.00 N ATOM 94 CA ARG A 32 17.701 -5.391 8.765 1.00 0.00 C ATOM 95 C ARG A 32 17.781 -6.861 8.372 1.00 0.00 C ATOM 96 O ARG A 32 16.759 -7.525 8.216 1.00 0.00 O ATOM 97 CB ARG A 32 17.005 -5.255 10.120 1.00 0.00 C ATOM 98 CG ARG A 32 17.888 -5.860 11.208 1.00 0.00 C ATOM 99 CD ARG A 32 17.211 -5.694 12.567 1.00 0.00 C ATOM 100 NE ARG A 32 18.084 -6.199 13.622 1.00 0.00 N ATOM 101 CZ ARG A 32 18.187 -7.501 13.885 1.00 0.00 C ATOM 102 NH1 ARG A 32 17.514 -8.382 13.191 1.00 0.00 N ATOM 103 NH2 ARG A 32 18.976 -7.902 14.843 1.00 0.00 N ATOM 0 H ARG A 32 15.955 -4.615 7.893 1.00 0.00 H new ATOM 0 HA ARG A 32 18.713 -4.992 8.835 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.810 -4.205 10.337 1.00 0.00 H new ATOM 0 HB3 ARG A 32 16.039 -5.760 10.097 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.062 -6.916 11.004 1.00 0.00 H new ATOM 0 HG3 ARG A 32 18.862 -5.371 11.213 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.983 -4.643 12.744 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.263 -6.232 12.579 1.00 0.00 H new ATOM 0 HE ARG A 32 18.630 -5.537 14.173 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.900 -8.076 12.436 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.603 -9.375 13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.508 -7.221 15.384 1.00 0.00 H new ATOM 0 HH22 ARG A 32 19.061 -8.897 15.051 1.00 0.00 H new ATOM 117 N VAL A 33 18.999 -7.364 8.206 1.00 0.00 N ATOM 118 CA VAL A 33 19.188 -8.759 7.819 1.00 0.00 C ATOM 119 C VAL A 33 19.002 -9.679 9.017 1.00 0.00 C ATOM 120 O VAL A 33 19.658 -9.516 10.045 1.00 0.00 O ATOM 121 CB VAL A 33 20.590 -8.956 7.241 1.00 0.00 C ATOM 122 CG1 VAL A 33 20.807 -10.435 6.915 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.736 -8.127 5.964 1.00 0.00 C ATOM 0 H VAL A 33 19.862 -6.835 8.331 1.00 0.00 H new ATOM 0 HA VAL A 33 18.443 -9.008 7.064 1.00 0.00 H new ATOM 0 HB VAL A 33 21.331 -8.633 7.972 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.807 -10.574 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.704 -11.027 7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.065 -10.759 6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.735 -8.267 5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 33 19.994 -8.450 5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.583 -7.073 6.195 1.00 0.00 H new ATOM 133 N HIS A 34 18.111 -10.656 8.873 1.00 0.00 N ATOM 134 CA HIS A 34 17.860 -11.604 9.952 1.00 0.00 C ATOM 135 C HIS A 34 18.339 -13.003 9.570 1.00 0.00 C ATOM 136 O HIS A 34 18.401 -13.895 10.415 1.00 0.00 O ATOM 137 CB HIS A 34 16.369 -11.645 10.280 1.00 0.00 C ATOM 138 CG HIS A 34 15.607 -12.061 9.059 1.00 0.00 C ATOM 139 ND1 HIS A 34 15.468 -13.390 8.691 1.00 0.00 N ATOM 140 CD2 HIS A 34 14.938 -11.336 8.109 1.00 0.00 C ATOM 141 CE1 HIS A 34 14.739 -13.421 7.563 1.00 0.00 C ATOM 142 NE2 HIS A 34 14.390 -12.193 7.167 1.00 0.00 N ATOM 0 H HIS A 34 17.557 -10.811 8.030 1.00 0.00 H new ATOM 0 HA HIS A 34 18.415 -11.273 10.830 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.183 -12.344 11.095 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.032 -10.665 10.617 1.00 0.00 H new ATOM 0 HD2 HIS A 34 14.851 -10.260 8.096 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.468 -14.327 7.041 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.838 -11.940 6.347 1.00 0.00 H new ATOM 150 N THR A 35 18.685 -13.193 8.298 1.00 0.00 N ATOM 151 CA THR A 35 19.165 -14.488 7.833 1.00 0.00 C ATOM 152 C THR A 35 20.480 -14.327 7.075 1.00 0.00 C ATOM 153 O THR A 35 20.600 -13.473 6.195 1.00 0.00 O ATOM 154 CB THR A 35 18.118 -15.132 6.924 1.00 0.00 C ATOM 155 OG1 THR A 35 16.927 -15.356 7.663 1.00 0.00 O ATOM 156 CG2 THR A 35 18.646 -16.454 6.370 1.00 0.00 C ATOM 0 H THR A 35 18.642 -12.472 7.578 1.00 0.00 H new ATOM 0 HA THR A 35 19.336 -15.129 8.698 1.00 0.00 H new ATOM 0 HB THR A 35 17.906 -14.464 6.089 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.761 -14.593 8.256 1.00 0.00 H new ATOM 0 HG21 THR A 35 17.893 -16.905 5.724 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.554 -16.271 5.796 1.00 0.00 H new ATOM 0 HG23 THR A 35 18.869 -17.131 7.195 1.00 0.00 H new ATOM 164 N ASP A 36 21.467 -15.147 7.422 1.00 0.00 N ATOM 165 CA ASP A 36 22.771 -15.081 6.768 1.00 0.00 C ATOM 166 C ASP A 36 22.668 -15.538 5.317 1.00 0.00 C ATOM 167 O ASP A 36 22.090 -16.587 5.029 1.00 0.00 O ATOM 168 CB ASP A 36 23.770 -15.967 7.511 1.00 0.00 C ATOM 169 CG ASP A 36 25.176 -15.721 6.977 1.00 0.00 C ATOM 170 OD1 ASP A 36 25.317 -14.889 6.097 1.00 0.00 O ATOM 171 OD2 ASP A 36 26.091 -16.370 7.457 1.00 0.00 O ATOM 0 H ASP A 36 21.391 -15.860 8.147 1.00 0.00 H new ATOM 0 HA ASP A 36 23.114 -14.047 6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.735 -15.754 8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.502 -17.016 7.386 1.00 0.00 H new ATOM 176 N PHE A 37 23.229 -14.749 4.403 1.00 0.00 N ATOM 177 CA PHE A 37 23.187 -15.100 2.985 1.00 0.00 C ATOM 178 C PHE A 37 24.384 -15.977 2.624 1.00 0.00 C ATOM 179 O PHE A 37 25.506 -15.717 3.057 1.00 0.00 O ATOM 180 CB PHE A 37 23.199 -13.831 2.137 1.00 0.00 C ATOM 181 CG PHE A 37 22.755 -14.141 0.726 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.500 -13.707 0.277 1.00 0.00 C ATOM 183 CD2 PHE A 37 23.592 -14.859 -0.132 1.00 0.00 C ATOM 184 CE1 PHE A 37 21.086 -13.991 -1.028 1.00 0.00 C ATOM 185 CE2 PHE A 37 23.179 -15.144 -1.439 1.00 0.00 C ATOM 186 CZ PHE A 37 21.926 -14.710 -1.887 1.00 0.00 C ATOM 0 H PHE A 37 23.711 -13.875 4.614 1.00 0.00 H new ATOM 0 HA PHE A 37 22.271 -15.656 2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 37 22.539 -13.084 2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 37 24.201 -13.403 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 37 20.852 -13.153 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 37 24.559 -15.195 0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 37 20.119 -13.656 -1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 37 23.827 -15.699 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.607 -14.930 -2.895 1.00 0.00 H new ATOM 196 N THR A 38 24.141 -17.018 1.833 1.00 0.00 N ATOM 197 CA THR A 38 25.211 -17.926 1.428 1.00 0.00 C ATOM 198 C THR A 38 25.243 -18.069 -0.099 1.00 0.00 C ATOM 199 O THR A 38 24.518 -18.894 -0.658 1.00 0.00 O ATOM 200 CB THR A 38 24.995 -19.297 2.077 1.00 0.00 C ATOM 201 OG1 THR A 38 23.695 -19.775 1.761 1.00 0.00 O ATOM 202 CG2 THR A 38 25.139 -19.163 3.595 1.00 0.00 C ATOM 0 H THR A 38 23.221 -17.253 1.462 1.00 0.00 H new ATOM 0 HA THR A 38 26.166 -17.516 1.758 1.00 0.00 H new ATOM 0 HB THR A 38 25.737 -20.001 1.700 1.00 0.00 H new ATOM 0 HG1 THR A 38 23.506 -19.608 0.814 1.00 0.00 H new ATOM 0 HG21 THR A 38 24.986 -20.136 4.062 1.00 0.00 H new ATOM 0 HG22 THR A 38 26.138 -18.798 3.835 1.00 0.00 H new ATOM 0 HG23 THR A 38 24.396 -18.460 3.970 1.00 0.00 H new ATOM 210 N PRO A 39 26.049 -17.281 -0.786 1.00 0.00 N ATOM 211 CA PRO A 39 26.132 -17.333 -2.276 1.00 0.00 C ATOM 212 C PRO A 39 26.866 -18.576 -2.774 1.00 0.00 C ATOM 213 O PRO A 39 27.676 -19.162 -2.054 1.00 0.00 O ATOM 214 CB PRO A 39 26.892 -16.057 -2.639 1.00 0.00 C ATOM 215 CG PRO A 39 27.737 -15.752 -1.449 1.00 0.00 C ATOM 216 CD PRO A 39 26.971 -16.268 -0.227 1.00 0.00 C ATOM 0 HA PRO A 39 25.147 -17.392 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 39 27.504 -16.203 -3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 39 26.206 -15.238 -2.855 1.00 0.00 H new ATOM 0 HG2 PRO A 39 28.710 -16.237 -1.530 1.00 0.00 H new ATOM 0 HG3 PRO A 39 27.920 -14.681 -1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 39 27.644 -16.704 0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 39 26.428 -15.466 0.272 1.00 0.00 H new ATOM 224 N SER A 40 26.574 -18.974 -4.009 1.00 0.00 N ATOM 225 CA SER A 40 27.210 -20.151 -4.593 1.00 0.00 C ATOM 226 C SER A 40 28.667 -19.856 -4.960 1.00 0.00 C ATOM 227 O SER A 40 29.045 -18.698 -5.138 1.00 0.00 O ATOM 228 CB SER A 40 26.448 -20.599 -5.840 1.00 0.00 C ATOM 229 OG SER A 40 25.164 -21.073 -5.458 1.00 0.00 O ATOM 0 H SER A 40 25.907 -18.503 -4.620 1.00 0.00 H new ATOM 0 HA SER A 40 27.190 -20.950 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 40 26.349 -19.768 -6.538 1.00 0.00 H new ATOM 0 HB3 SER A 40 27.000 -21.385 -6.356 1.00 0.00 H new ATOM 0 HG SER A 40 24.671 -21.360 -6.255 1.00 0.00 H new ATOM 235 N PRO A 41 29.490 -20.874 -5.073 1.00 0.00 N ATOM 236 CA PRO A 41 30.936 -20.705 -5.426 1.00 0.00 C ATOM 237 C PRO A 41 31.121 -19.942 -6.737 1.00 0.00 C ATOM 238 O PRO A 41 32.031 -19.122 -6.867 1.00 0.00 O ATOM 239 CB PRO A 41 31.444 -22.144 -5.569 1.00 0.00 C ATOM 240 CG PRO A 41 30.510 -22.966 -4.751 1.00 0.00 C ATOM 241 CD PRO A 41 29.145 -22.295 -4.885 1.00 0.00 C ATOM 0 HA PRO A 41 31.474 -20.126 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 41 31.440 -22.462 -6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 41 32.469 -22.238 -5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 41 30.477 -23.995 -5.109 1.00 0.00 H new ATOM 0 HG3 PRO A 41 30.829 -23.001 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 41 28.583 -22.689 -5.732 1.00 0.00 H new ATOM 0 HD3 PRO A 41 28.532 -22.447 -3.997 1.00 0.00 H new ATOM 249 N TYR A 42 30.250 -20.221 -7.703 1.00 0.00 N ATOM 250 CA TYR A 42 30.320 -19.559 -9.004 1.00 0.00 C ATOM 251 C TYR A 42 29.512 -18.259 -9.004 1.00 0.00 C ATOM 252 O TYR A 42 29.356 -17.618 -10.044 1.00 0.00 O ATOM 253 CB TYR A 42 29.787 -20.488 -10.099 1.00 0.00 C ATOM 254 CG TYR A 42 28.309 -20.722 -9.893 1.00 0.00 C ATOM 255 CD1 TYR A 42 27.376 -19.875 -10.504 1.00 0.00 C ATOM 256 CD2 TYR A 42 27.869 -21.783 -9.092 1.00 0.00 C ATOM 257 CE1 TYR A 42 26.007 -20.087 -10.314 1.00 0.00 C ATOM 258 CE2 TYR A 42 26.499 -21.996 -8.901 1.00 0.00 C ATOM 259 CZ TYR A 42 25.567 -21.148 -9.512 1.00 0.00 C ATOM 260 OH TYR A 42 24.217 -21.357 -9.324 1.00 0.00 O ATOM 0 H TYR A 42 29.491 -20.897 -7.611 1.00 0.00 H new ATOM 0 HA TYR A 42 31.365 -19.321 -9.202 1.00 0.00 H new ATOM 0 HB2 TYR A 42 29.962 -20.047 -11.080 1.00 0.00 H new ATOM 0 HB3 TYR A 42 30.322 -21.437 -10.076 1.00 0.00 H new ATOM 0 HD1 TYR A 42 27.714 -19.057 -11.123 1.00 0.00 H new ATOM 0 HD2 TYR A 42 28.588 -22.438 -8.621 1.00 0.00 H new ATOM 0 HE1 TYR A 42 25.289 -19.433 -10.786 1.00 0.00 H new ATOM 0 HE2 TYR A 42 26.161 -22.814 -8.283 1.00 0.00 H new ATOM 0 HH TYR A 42 24.084 -22.134 -8.742 1.00 0.00 H new ATOM 270 N ASP A 43 29.005 -17.870 -7.835 1.00 0.00 N ATOM 271 CA ASP A 43 28.225 -16.646 -7.718 1.00 0.00 C ATOM 272 C ASP A 43 29.087 -15.520 -7.158 1.00 0.00 C ATOM 273 O ASP A 43 29.323 -15.448 -5.951 1.00 0.00 O ATOM 274 CB ASP A 43 27.023 -16.881 -6.801 1.00 0.00 C ATOM 275 CG ASP A 43 25.756 -17.045 -7.634 1.00 0.00 C ATOM 276 OD1 ASP A 43 25.498 -16.184 -8.458 1.00 0.00 O ATOM 277 OD2 ASP A 43 25.065 -18.030 -7.437 1.00 0.00 O ATOM 0 H ASP A 43 29.121 -18.384 -6.962 1.00 0.00 H new ATOM 0 HA ASP A 43 27.872 -16.360 -8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 43 27.187 -17.771 -6.194 1.00 0.00 H new ATOM 0 HB3 ASP A 43 26.910 -16.043 -6.113 1.00 0.00 H new ATOM 282 N THR A 44 29.552 -14.639 -8.036 1.00 0.00 N ATOM 283 CA THR A 44 30.385 -13.523 -7.606 1.00 0.00 C ATOM 284 C THR A 44 29.577 -12.230 -7.607 1.00 0.00 C ATOM 285 O THR A 44 29.861 -11.307 -6.844 1.00 0.00 O ATOM 286 CB THR A 44 31.583 -13.377 -8.547 1.00 0.00 C ATOM 287 OG1 THR A 44 31.120 -13.057 -9.851 1.00 0.00 O ATOM 288 CG2 THR A 44 32.359 -14.693 -8.593 1.00 0.00 C ATOM 0 H THR A 44 29.369 -14.674 -9.039 1.00 0.00 H new ATOM 0 HA THR A 44 30.739 -13.720 -6.594 1.00 0.00 H new ATOM 0 HB THR A 44 32.236 -12.583 -8.185 1.00 0.00 H new ATOM 0 HG1 THR A 44 31.885 -12.961 -10.456 1.00 0.00 H new ATOM 0 HG21 THR A 44 33.212 -14.589 -9.263 1.00 0.00 H new ATOM 0 HG22 THR A 44 32.712 -14.942 -7.592 1.00 0.00 H new ATOM 0 HG23 THR A 44 31.707 -15.487 -8.956 1.00 0.00 H new ATOM 296 N ASP A 45 28.564 -12.179 -8.465 1.00 0.00 N ATOM 297 CA ASP A 45 27.707 -11.002 -8.555 1.00 0.00 C ATOM 298 C ASP A 45 26.785 -10.910 -7.343 1.00 0.00 C ATOM 299 O ASP A 45 26.271 -9.839 -7.023 1.00 0.00 O ATOM 300 CB ASP A 45 26.871 -11.059 -9.834 1.00 0.00 C ATOM 301 CG ASP A 45 27.765 -10.839 -11.051 1.00 0.00 C ATOM 302 OD1 ASP A 45 28.887 -10.398 -10.865 1.00 0.00 O ATOM 303 OD2 ASP A 45 27.316 -11.119 -12.149 1.00 0.00 O ATOM 0 H ASP A 45 28.317 -12.934 -9.105 1.00 0.00 H new ATOM 0 HA ASP A 45 28.343 -10.117 -8.577 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.371 -12.025 -9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 45 26.091 -10.298 -9.803 1.00 0.00 H new ATOM 308 N SER A 46 26.573 -12.042 -6.674 1.00 0.00 N ATOM 309 CA SER A 46 25.704 -12.077 -5.505 1.00 0.00 C ATOM 310 C SER A 46 26.226 -11.134 -4.426 1.00 0.00 C ATOM 311 O SER A 46 27.434 -11.026 -4.213 1.00 0.00 O ATOM 312 CB SER A 46 25.636 -13.502 -4.952 1.00 0.00 C ATOM 313 OG SER A 46 24.836 -13.513 -3.777 1.00 0.00 O ATOM 0 H SER A 46 26.989 -12.940 -6.921 1.00 0.00 H new ATOM 0 HA SER A 46 24.706 -11.755 -5.802 1.00 0.00 H new ATOM 0 HB2 SER A 46 25.214 -14.174 -5.699 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.639 -13.865 -4.726 1.00 0.00 H new ATOM 0 HG SER A 46 24.079 -14.122 -3.903 1.00 0.00 H new ATOM 319 N LEU A 47 25.309 -10.455 -3.744 1.00 0.00 N ATOM 320 CA LEU A 47 25.687 -9.529 -2.687 1.00 0.00 C ATOM 321 C LEU A 47 25.983 -10.292 -1.402 1.00 0.00 C ATOM 322 O LEU A 47 25.271 -11.233 -1.049 1.00 0.00 O ATOM 323 CB LEU A 47 24.557 -8.526 -2.443 1.00 0.00 C ATOM 324 CG LEU A 47 24.948 -7.558 -1.322 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.179 -6.748 -1.737 1.00 0.00 C ATOM 326 CD2 LEU A 47 23.782 -6.607 -1.053 1.00 0.00 C ATOM 0 H LEU A 47 24.304 -10.529 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 47 26.584 -8.991 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.349 -7.971 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.642 -9.055 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 47 25.181 -8.124 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.451 -6.062 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.011 -7.425 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.953 -6.180 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.053 -5.915 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.554 -6.046 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 47 22.906 -7.181 -0.752 1.00 0.00 H new ATOM 338 N LYS A 48 27.033 -9.880 -0.701 1.00 0.00 N ATOM 339 CA LYS A 48 27.403 -10.536 0.545 1.00 0.00 C ATOM 340 C LYS A 48 26.797 -9.794 1.733 1.00 0.00 C ATOM 341 O LYS A 48 27.109 -8.628 1.969 1.00 0.00 O ATOM 342 CB LYS A 48 28.926 -10.555 0.684 1.00 0.00 C ATOM 343 CG LYS A 48 29.529 -11.416 -0.430 1.00 0.00 C ATOM 344 CD LYS A 48 31.056 -11.304 -0.405 1.00 0.00 C ATOM 345 CE LYS A 48 31.614 -12.031 0.821 1.00 0.00 C ATOM 346 NZ LYS A 48 31.333 -13.489 0.701 1.00 0.00 N ATOM 0 H LYS A 48 27.637 -9.103 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 48 27.022 -11.557 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.320 -9.540 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.208 -10.953 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.230 -12.456 -0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.148 -11.093 -1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 48 31.475 -11.733 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 48 31.352 -10.255 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 48 32.688 -11.862 0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.161 -11.635 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.010 -14.022 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.365 -13.684 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.427 -13.780 -0.293 1.00 0.00 H new ATOM 360 N ILE A 49 25.938 -10.481 2.480 1.00 0.00 N ATOM 361 CA ILE A 49 25.306 -9.869 3.644 1.00 0.00 C ATOM 362 C ILE A 49 25.265 -10.863 4.806 1.00 0.00 C ATOM 363 O ILE A 49 25.120 -12.073 4.594 1.00 0.00 O ATOM 364 CB ILE A 49 23.883 -9.414 3.279 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.978 -10.633 3.082 1.00 0.00 C ATOM 366 CG2 ILE A 49 23.920 -8.606 1.971 1.00 0.00 C ATOM 367 CD1 ILE A 49 21.551 -10.170 2.781 1.00 0.00 C ATOM 0 H ILE A 49 25.666 -11.448 2.304 1.00 0.00 H new ATOM 0 HA ILE A 49 25.888 -9.001 3.953 1.00 0.00 H new ATOM 0 HB ILE A 49 23.493 -8.796 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 49 23.352 -11.248 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.988 -11.255 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 49 22.911 -8.284 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 49 24.558 -7.732 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 49 24.318 -9.229 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.908 -11.039 2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 49 21.179 -9.574 3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.548 -9.567 1.873 1.00 0.00 H new ATOM 379 N LYS A 50 25.383 -10.352 6.027 1.00 0.00 N ATOM 380 CA LYS A 50 25.358 -11.210 7.207 1.00 0.00 C ATOM 381 C LYS A 50 24.266 -10.761 8.167 1.00 0.00 C ATOM 382 O LYS A 50 23.711 -9.672 8.028 1.00 0.00 O ATOM 383 CB LYS A 50 26.708 -11.158 7.921 1.00 0.00 C ATOM 384 CG LYS A 50 27.805 -10.866 6.900 1.00 0.00 C ATOM 385 CD LYS A 50 29.177 -11.060 7.549 1.00 0.00 C ATOM 386 CE LYS A 50 29.872 -9.705 7.682 1.00 0.00 C ATOM 387 NZ LYS A 50 30.290 -9.226 6.334 1.00 0.00 N ATOM 0 H LYS A 50 25.496 -9.358 6.225 1.00 0.00 H new ATOM 0 HA LYS A 50 25.154 -12.231 6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 50 26.696 -10.386 8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.904 -12.106 8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.701 -11.529 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.708 -9.846 6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 50 29.065 -11.522 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 50 29.784 -11.735 6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 50 29.199 -8.983 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 50 30.741 -9.793 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 31.047 -8.520 6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 30.638 -10.029 5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 29.476 -8.794 5.852 1.00 0.00 H new ATOM 401 N LYS A 51 23.964 -11.605 9.146 1.00 0.00 N ATOM 402 CA LYS A 51 22.941 -11.278 10.127 1.00 0.00 C ATOM 403 C LYS A 51 23.368 -10.077 10.965 1.00 0.00 C ATOM 404 O LYS A 51 24.475 -10.042 11.503 1.00 0.00 O ATOM 405 CB LYS A 51 22.701 -12.475 11.047 1.00 0.00 C ATOM 406 CG LYS A 51 21.507 -12.185 11.959 1.00 0.00 C ATOM 407 CD LYS A 51 21.400 -13.278 13.024 1.00 0.00 C ATOM 408 CE LYS A 51 21.040 -14.610 12.364 1.00 0.00 C ATOM 409 NZ LYS A 51 20.866 -15.652 13.415 1.00 0.00 N ATOM 0 H LYS A 51 24.409 -12.513 9.280 1.00 0.00 H new ATOM 0 HA LYS A 51 22.021 -11.032 9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.511 -13.370 10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.590 -12.671 11.646 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.626 -11.211 12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.589 -12.143 11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 51 22.345 -13.371 13.560 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.642 -13.009 13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.123 -14.505 11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.824 -14.907 11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 20.621 -16.559 12.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 21.752 -15.758 13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.103 -15.368 14.062 1.00 0.00 H new ATOM 423 N GLY A 52 22.482 -9.097 11.070 1.00 0.00 N ATOM 424 CA GLY A 52 22.766 -7.895 11.844 1.00 0.00 C ATOM 425 C GLY A 52 23.188 -6.743 10.939 1.00 0.00 C ATOM 426 O GLY A 52 23.089 -5.577 11.322 1.00 0.00 O ATOM 0 H GLY A 52 21.562 -9.109 10.630 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.882 -7.609 12.413 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.556 -8.102 12.566 1.00 0.00 H new ATOM 430 N ASP A 53 23.645 -7.066 9.731 1.00 0.00 N ATOM 431 CA ASP A 53 24.056 -6.033 8.790 1.00 0.00 C ATOM 432 C ASP A 53 22.840 -5.255 8.289 1.00 0.00 C ATOM 433 O ASP A 53 21.744 -5.807 8.174 1.00 0.00 O ATOM 434 CB ASP A 53 24.791 -6.664 7.607 1.00 0.00 C ATOM 435 CG ASP A 53 26.167 -7.147 8.051 1.00 0.00 C ATOM 436 OD1 ASP A 53 26.574 -6.788 9.144 1.00 0.00 O ATOM 437 OD2 ASP A 53 26.796 -7.862 7.291 1.00 0.00 O ATOM 0 H ASP A 53 23.738 -8.021 9.386 1.00 0.00 H new ATOM 0 HA ASP A 53 24.728 -5.344 9.302 1.00 0.00 H new ATOM 0 HB2 ASP A 53 24.213 -7.499 7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 53 24.893 -5.937 6.801 1.00 0.00 H new ATOM 442 N ILE A 54 23.040 -3.975 7.989 1.00 0.00 N ATOM 443 CA ILE A 54 21.951 -3.137 7.498 1.00 0.00 C ATOM 444 C ILE A 54 22.158 -2.819 6.022 1.00 0.00 C ATOM 445 O ILE A 54 23.230 -2.368 5.618 1.00 0.00 O ATOM 446 CB ILE A 54 21.878 -1.835 8.297 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.645 -2.157 9.775 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.723 -0.977 7.779 1.00 0.00 C ATOM 449 CD1 ILE A 54 21.761 -0.873 10.599 1.00 0.00 C ATOM 0 H ILE A 54 23.938 -3.499 8.076 1.00 0.00 H new ATOM 0 HA ILE A 54 21.015 -3.682 7.621 1.00 0.00 H new ATOM 0 HB ILE A 54 22.815 -1.290 8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.659 -2.602 9.911 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.375 -2.890 10.118 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.674 -0.050 8.350 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.885 -0.746 6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.786 -1.522 7.891 1.00 0.00 H new ATOM 0 HD11 ILE A 54 21.595 -1.100 11.652 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.757 -0.448 10.472 1.00 0.00 H new ATOM 0 HD13 ILE A 54 21.014 -0.155 10.261 1.00 0.00 H new ATOM 461 N ILE A 55 21.136 -3.079 5.214 1.00 0.00 N ATOM 462 CA ILE A 55 21.231 -2.839 3.779 1.00 0.00 C ATOM 463 C ILE A 55 20.351 -1.664 3.377 1.00 0.00 C ATOM 464 O ILE A 55 19.176 -1.610 3.737 1.00 0.00 O ATOM 465 CB ILE A 55 20.785 -4.090 3.018 1.00 0.00 C ATOM 466 CG1 ILE A 55 21.636 -5.277 3.464 1.00 0.00 C ATOM 467 CG2 ILE A 55 20.984 -3.875 1.514 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.066 -6.567 2.880 1.00 0.00 C ATOM 0 H ILE A 55 20.239 -3.453 5.525 1.00 0.00 H new ATOM 0 HA ILE A 55 22.267 -2.606 3.532 1.00 0.00 H new ATOM 0 HB ILE A 55 19.733 -4.284 3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.666 -5.142 3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.654 -5.336 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 55 20.666 -4.767 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.390 -3.021 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.038 -3.684 1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 55 21.676 -7.412 3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.043 -6.704 3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.072 -6.507 1.792 1.00 0.00 H new ATOM 480 N ASP A 56 20.919 -0.723 2.632 1.00 0.00 N ATOM 481 CA ASP A 56 20.147 0.436 2.200 1.00 0.00 C ATOM 482 C ASP A 56 19.210 0.042 1.063 1.00 0.00 C ATOM 483 O ASP A 56 19.663 -0.331 -0.015 1.00 0.00 O ATOM 484 CB ASP A 56 21.091 1.544 1.732 1.00 0.00 C ATOM 485 CG ASP A 56 21.813 2.148 2.931 1.00 0.00 C ATOM 486 OD1 ASP A 56 21.388 1.889 4.046 1.00 0.00 O ATOM 487 OD2 ASP A 56 22.781 2.858 2.719 1.00 0.00 O ATOM 0 H ASP A 56 21.890 -0.737 2.320 1.00 0.00 H new ATOM 0 HA ASP A 56 19.555 0.801 3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.816 1.142 1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 56 20.528 2.316 1.208 1.00 0.00 H new ATOM 492 N ILE A 57 17.902 0.122 1.308 1.00 0.00 N ATOM 493 CA ILE A 57 16.922 -0.243 0.290 1.00 0.00 C ATOM 494 C ILE A 57 16.953 0.746 -0.869 1.00 0.00 C ATOM 495 O ILE A 57 16.814 1.953 -0.672 1.00 0.00 O ATOM 496 CB ILE A 57 15.515 -0.266 0.897 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.416 -1.401 1.925 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.481 -0.486 -0.210 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.110 -1.271 2.715 1.00 0.00 C ATOM 0 H ILE A 57 17.502 0.433 2.193 1.00 0.00 H new ATOM 0 HA ILE A 57 17.176 -1.235 -0.084 1.00 0.00 H new ATOM 0 HB ILE A 57 15.320 0.686 1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.452 -2.366 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.268 -1.365 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.481 -0.502 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.548 0.324 -0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.676 -1.436 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.044 -2.079 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.092 -0.312 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.264 -1.329 2.031 1.00 0.00 H new ATOM 511 N ILE A 58 17.132 0.223 -2.077 1.00 0.00 N ATOM 512 CA ILE A 58 17.174 1.062 -3.268 1.00 0.00 C ATOM 513 C ILE A 58 15.916 0.864 -4.104 1.00 0.00 C ATOM 514 O ILE A 58 15.181 1.813 -4.372 1.00 0.00 O ATOM 515 CB ILE A 58 18.404 0.710 -4.108 1.00 0.00 C ATOM 516 CG1 ILE A 58 19.673 1.091 -3.344 1.00 0.00 C ATOM 517 CG2 ILE A 58 18.360 1.479 -5.429 1.00 0.00 C ATOM 518 CD1 ILE A 58 20.890 0.478 -4.042 1.00 0.00 C ATOM 0 H ILE A 58 17.250 -0.774 -2.257 1.00 0.00 H new ATOM 0 HA ILE A 58 17.231 2.105 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 58 18.407 -0.361 -4.309 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.773 2.176 -3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.612 0.735 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.237 1.227 -6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.458 1.209 -5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.354 2.550 -5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.795 0.749 -3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.790 -0.607 -4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.953 0.856 -5.063 1.00 0.00 H new ATOM 530 N CYS A 59 15.679 -0.377 -4.521 1.00 0.00 N ATOM 531 CA CYS A 59 14.505 -0.681 -5.335 1.00 0.00 C ATOM 532 C CYS A 59 14.227 -2.182 -5.344 1.00 0.00 C ATOM 533 O CYS A 59 15.138 -2.994 -5.191 1.00 0.00 O ATOM 534 CB CYS A 59 14.711 -0.180 -6.766 1.00 0.00 C ATOM 535 SG CYS A 59 13.171 -0.368 -7.698 1.00 0.00 S ATOM 0 H CYS A 59 16.275 -1.178 -4.313 1.00 0.00 H new ATOM 0 HA CYS A 59 13.645 -0.172 -4.899 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.017 0.866 -6.756 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.511 -0.742 -7.248 1.00 0.00 H new ATOM 0 HG CYS A 59 12.914 -1.632 -7.861 1.00 0.00 H new ATOM 541 N LYS A 60 12.964 -2.548 -5.519 1.00 0.00 N ATOM 542 CA LYS A 60 12.592 -3.958 -5.542 1.00 0.00 C ATOM 543 C LYS A 60 12.499 -4.451 -6.981 1.00 0.00 C ATOM 544 O LYS A 60 12.317 -3.656 -7.903 1.00 0.00 O ATOM 545 CB LYS A 60 11.247 -4.153 -4.851 1.00 0.00 C ATOM 546 CG LYS A 60 11.314 -3.528 -3.459 1.00 0.00 C ATOM 547 CD LYS A 60 10.001 -3.780 -2.720 1.00 0.00 C ATOM 548 CE LYS A 60 9.927 -2.887 -1.476 1.00 0.00 C ATOM 549 NZ LYS A 60 11.037 -3.213 -0.532 1.00 0.00 N ATOM 0 H LYS A 60 12.188 -1.898 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 60 13.356 -4.530 -5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.452 -3.689 -5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.011 -5.215 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.146 -3.953 -2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.498 -2.457 -3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.157 -3.574 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.931 -4.829 -2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.987 -1.839 -1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.967 -3.024 -0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.861 -2.752 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.087 -4.243 -0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.938 -2.871 -0.924 1.00 0.00 H new ATOM 563 N THR A 61 12.623 -5.761 -7.170 1.00 0.00 N ATOM 564 CA THR A 61 12.549 -6.328 -8.511 1.00 0.00 C ATOM 565 C THR A 61 11.287 -7.179 -8.672 1.00 0.00 C ATOM 566 O THR A 61 10.731 -7.658 -7.685 1.00 0.00 O ATOM 567 CB THR A 61 13.782 -7.190 -8.789 1.00 0.00 C ATOM 568 OG1 THR A 61 13.843 -8.245 -7.840 1.00 0.00 O ATOM 569 CG2 THR A 61 15.044 -6.333 -8.687 1.00 0.00 C ATOM 0 H THR A 61 12.773 -6.440 -6.424 1.00 0.00 H new ATOM 0 HA THR A 61 12.513 -5.505 -9.224 1.00 0.00 H new ATOM 0 HB THR A 61 13.714 -7.608 -9.793 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.305 -7.934 -7.034 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.920 -6.950 -8.886 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.996 -5.526 -9.418 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.117 -5.911 -7.685 1.00 0.00 H new ATOM 577 N PRO A 62 10.827 -7.374 -9.888 1.00 0.00 N ATOM 578 CA PRO A 62 9.601 -8.187 -10.168 1.00 0.00 C ATOM 579 C PRO A 62 9.707 -9.604 -9.611 1.00 0.00 C ATOM 580 O PRO A 62 8.711 -10.194 -9.191 1.00 0.00 O ATOM 581 CB PRO A 62 9.524 -8.221 -11.698 1.00 0.00 C ATOM 582 CG PRO A 62 10.292 -7.030 -12.154 1.00 0.00 C ATOM 583 CD PRO A 62 11.415 -6.846 -11.137 1.00 0.00 C ATOM 0 HA PRO A 62 8.717 -7.757 -9.697 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.953 -9.141 -12.094 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.490 -8.178 -12.041 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.693 -7.183 -13.156 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.655 -6.147 -12.197 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.312 -7.395 -11.424 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.700 -5.799 -11.037 1.00 0.00 H new ATOM 591 N MET A 63 10.921 -10.147 -9.620 1.00 0.00 N ATOM 592 CA MET A 63 11.150 -11.499 -9.123 1.00 0.00 C ATOM 593 C MET A 63 10.797 -11.591 -7.642 1.00 0.00 C ATOM 594 O MET A 63 10.244 -12.593 -7.188 1.00 0.00 O ATOM 595 CB MET A 63 12.615 -11.895 -9.327 1.00 0.00 C ATOM 596 CG MET A 63 12.893 -12.068 -10.822 1.00 0.00 C ATOM 597 SD MET A 63 14.650 -12.427 -11.076 1.00 0.00 S ATOM 598 CE MET A 63 14.636 -14.110 -10.409 1.00 0.00 C ATOM 0 H MET A 63 11.757 -9.674 -9.964 1.00 0.00 H new ATOM 0 HA MET A 63 10.511 -12.183 -9.682 1.00 0.00 H new ATOM 0 HB2 MET A 63 13.271 -11.131 -8.910 1.00 0.00 H new ATOM 0 HB3 MET A 63 12.829 -12.823 -8.797 1.00 0.00 H new ATOM 0 HG2 MET A 63 12.284 -12.878 -11.224 1.00 0.00 H new ATOM 0 HG3 MET A 63 12.615 -11.162 -11.361 1.00 0.00 H new ATOM 0 HE1 MET A 63 15.466 -14.676 -10.832 1.00 0.00 H new ATOM 0 HE2 MET A 63 14.737 -14.072 -9.324 1.00 0.00 H new ATOM 0 HE3 MET A 63 13.696 -14.597 -10.669 1.00 0.00 H new ATOM 608 N GLY A 64 11.121 -10.541 -6.898 1.00 0.00 N ATOM 609 CA GLY A 64 10.835 -10.510 -5.470 1.00 0.00 C ATOM 610 C GLY A 64 12.056 -10.057 -4.679 1.00 0.00 C ATOM 611 O GLY A 64 11.926 -9.403 -3.645 1.00 0.00 O ATOM 0 H GLY A 64 11.580 -9.704 -7.258 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.001 -9.835 -5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.527 -11.501 -5.135 1.00 0.00 H new ATOM 615 N MET A 65 13.241 -10.396 -5.177 1.00 0.00 N ATOM 616 CA MET A 65 14.475 -10.013 -4.501 1.00 0.00 C ATOM 617 C MET A 65 14.605 -8.496 -4.444 1.00 0.00 C ATOM 618 O MET A 65 14.200 -7.790 -5.367 1.00 0.00 O ATOM 619 CB MET A 65 15.681 -10.603 -5.229 1.00 0.00 C ATOM 620 CG MET A 65 15.705 -12.122 -5.051 1.00 0.00 C ATOM 621 SD MET A 65 17.108 -12.810 -5.963 1.00 0.00 S ATOM 622 CE MET A 65 18.417 -12.196 -4.871 1.00 0.00 C ATOM 0 H MET A 65 13.373 -10.929 -6.037 1.00 0.00 H new ATOM 0 HA MET A 65 14.443 -10.404 -3.484 1.00 0.00 H new ATOM 0 HB2 MET A 65 15.635 -10.353 -6.289 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.601 -10.168 -4.839 1.00 0.00 H new ATOM 0 HG2 MET A 65 15.785 -12.374 -3.994 1.00 0.00 H new ATOM 0 HG3 MET A 65 14.773 -12.557 -5.413 1.00 0.00 H new ATOM 0 HE1 MET A 65 19.384 -12.556 -5.224 1.00 0.00 H new ATOM 0 HE2 MET A 65 18.412 -11.106 -4.875 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.244 -12.556 -3.857 1.00 0.00 H new ATOM 632 N TRP A 66 15.155 -8.005 -3.339 1.00 0.00 N ATOM 633 CA TRP A 66 15.315 -6.567 -3.153 1.00 0.00 C ATOM 634 C TRP A 66 16.732 -6.123 -3.501 1.00 0.00 C ATOM 635 O TRP A 66 17.691 -6.882 -3.348 1.00 0.00 O ATOM 636 CB TRP A 66 15.002 -6.188 -1.701 1.00 0.00 C ATOM 637 CG TRP A 66 13.540 -6.373 -1.419 1.00 0.00 C ATOM 638 CD1 TRP A 66 12.611 -6.778 -2.317 1.00 0.00 C ATOM 639 CD2 TRP A 66 12.827 -6.155 -0.167 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.375 -6.827 -1.695 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.456 -6.449 -0.366 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.236 -5.735 1.111 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.524 -6.330 0.672 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.304 -5.613 2.153 1.00 0.00 C ATOM 645 CH2 TRP A 66 10.953 -5.908 1.934 1.00 0.00 C ATOM 0 H TRP A 66 15.495 -8.575 -2.565 1.00 0.00 H new ATOM 0 HA TRP A 66 14.619 -6.061 -3.822 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.591 -6.804 -1.022 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.286 -5.152 -1.519 1.00 0.00 H new ATOM 0 HD1 TRP A 66 12.803 -7.023 -3.351 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.511 -7.107 -2.159 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.275 -5.505 1.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.483 -6.562 0.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.631 -5.289 3.130 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.242 -5.809 2.741 1.00 0.00 H new ATOM 656 N THR A 67 16.849 -4.884 -3.965 1.00 0.00 N ATOM 657 CA THR A 67 18.143 -4.325 -4.328 1.00 0.00 C ATOM 658 C THR A 67 18.537 -3.250 -3.323 1.00 0.00 C ATOM 659 O THR A 67 17.716 -2.403 -2.952 1.00 0.00 O ATOM 660 CB THR A 67 18.090 -3.729 -5.733 1.00 0.00 C ATOM 661 OG1 THR A 67 17.729 -4.742 -6.661 1.00 0.00 O ATOM 662 CG2 THR A 67 19.466 -3.172 -6.100 1.00 0.00 C ATOM 0 H THR A 67 16.062 -4.248 -4.098 1.00 0.00 H new ATOM 0 HA THR A 67 18.887 -5.121 -4.316 1.00 0.00 H new ATOM 0 HB THR A 67 17.352 -2.927 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.539 -5.128 -7.055 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.430 -2.746 -7.103 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.747 -2.397 -5.386 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.203 -3.975 -6.073 1.00 0.00 H new ATOM 670 N GLY A 68 19.792 -3.284 -2.887 1.00 0.00 N ATOM 671 CA GLY A 68 20.279 -2.311 -1.921 1.00 0.00 C ATOM 672 C GLY A 68 21.779 -2.095 -2.064 1.00 0.00 C ATOM 673 O GLY A 68 22.414 -2.642 -2.966 1.00 0.00 O ATOM 0 H GLY A 68 20.485 -3.970 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.758 -1.364 -2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.053 -2.653 -0.911 1.00 0.00 H new ATOM 677 N MET A 69 22.338 -1.281 -1.172 1.00 0.00 N ATOM 678 CA MET A 69 23.766 -0.986 -1.208 1.00 0.00 C ATOM 679 C MET A 69 24.420 -1.322 0.131 1.00 0.00 C ATOM 680 O MET A 69 23.830 -1.112 1.198 1.00 0.00 O ATOM 681 CB MET A 69 23.995 0.493 -1.531 1.00 0.00 C ATOM 682 CG MET A 69 25.496 0.767 -1.639 1.00 0.00 C ATOM 683 SD MET A 69 25.764 2.509 -2.047 1.00 0.00 S ATOM 684 CE MET A 69 25.305 3.189 -0.434 1.00 0.00 C ATOM 0 H MET A 69 21.827 -0.817 -0.421 1.00 0.00 H new ATOM 0 HA MET A 69 24.219 -1.600 -1.987 1.00 0.00 H new ATOM 0 HB2 MET A 69 23.499 0.753 -2.466 1.00 0.00 H new ATOM 0 HB3 MET A 69 23.556 1.118 -0.753 1.00 0.00 H new ATOM 0 HG2 MET A 69 25.990 0.523 -0.698 1.00 0.00 H new ATOM 0 HG3 MET A 69 25.938 0.131 -2.406 1.00 0.00 H new ATOM 0 HE1 MET A 69 25.821 4.136 -0.278 1.00 0.00 H new ATOM 0 HE2 MET A 69 24.228 3.353 -0.402 1.00 0.00 H new ATOM 0 HE3 MET A 69 25.589 2.488 0.351 1.00 0.00 H new ATOM 694 N LEU A 70 25.643 -1.842 0.060 1.00 0.00 N ATOM 695 CA LEU A 70 26.393 -2.211 1.251 1.00 0.00 C ATOM 696 C LEU A 70 27.854 -1.793 1.121 1.00 0.00 C ATOM 697 O LEU A 70 28.631 -2.432 0.416 1.00 0.00 O ATOM 698 CB LEU A 70 26.327 -3.722 1.466 1.00 0.00 C ATOM 699 CG LEU A 70 25.443 -4.028 2.675 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.161 -5.527 2.726 1.00 0.00 C ATOM 701 CD2 LEU A 70 26.165 -3.616 3.958 1.00 0.00 C ATOM 0 H LEU A 70 26.135 -2.017 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 70 25.948 -1.696 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.927 -4.209 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.329 -4.121 1.624 1.00 0.00 H new ATOM 0 HG LEU A 70 24.508 -3.475 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.531 -5.750 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.649 -5.832 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 70 26.101 -6.071 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 70 25.532 -3.835 4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.099 -4.171 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 70 26.379 -2.548 3.928 1.00 0.00 H new ATOM 713 N ASN A 71 28.228 -0.738 1.830 1.00 0.00 N ATOM 714 CA ASN A 71 29.607 -0.262 1.806 1.00 0.00 C ATOM 715 C ASN A 71 30.030 0.019 0.365 1.00 0.00 C ATOM 716 O ASN A 71 30.993 -0.558 -0.142 1.00 0.00 O ATOM 717 CB ASN A 71 30.549 -1.310 2.432 1.00 0.00 C ATOM 718 CG ASN A 71 29.774 -2.286 3.314 1.00 0.00 C ATOM 719 OD1 ASN A 71 29.939 -3.499 3.187 1.00 0.00 O ATOM 720 ND2 ASN A 71 28.927 -1.835 4.193 1.00 0.00 N ATOM 0 H ASN A 71 27.602 -0.197 2.426 1.00 0.00 H new ATOM 0 HA ASN A 71 29.671 0.657 2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 71 31.064 -1.858 1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 71 31.314 -0.808 3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 71 28.401 -2.487 4.775 1.00 0.00 H new ATOM 0 HD22 ASN A 71 28.789 -0.830 4.300 1.00 0.00 H new ATOM 727 N ASN A 72 29.302 0.906 -0.299 1.00 0.00 N ATOM 728 CA ASN A 72 29.612 1.240 -1.682 1.00 0.00 C ATOM 729 C ASN A 72 29.533 -0.003 -2.560 1.00 0.00 C ATOM 730 O ASN A 72 30.288 -0.143 -3.523 1.00 0.00 O ATOM 731 CB ASN A 72 31.017 1.833 -1.772 1.00 0.00 C ATOM 732 CG ASN A 72 31.174 2.603 -3.078 1.00 0.00 C ATOM 733 OD1 ASN A 72 30.234 3.258 -3.530 1.00 0.00 O ATOM 734 ND2 ASN A 72 32.310 2.560 -3.718 1.00 0.00 N ATOM 0 H ASN A 72 28.501 1.402 0.092 1.00 0.00 H new ATOM 0 HA ASN A 72 28.883 1.971 -2.032 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.196 2.496 -0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 72 31.761 1.038 -1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.421 3.070 -4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.087 2.017 -3.342 1.00 0.00 H new ATOM 741 N LYS A 73 28.608 -0.898 -2.233 1.00 0.00 N ATOM 742 CA LYS A 73 28.438 -2.115 -3.013 1.00 0.00 C ATOM 743 C LYS A 73 26.961 -2.337 -3.316 1.00 0.00 C ATOM 744 O LYS A 73 26.183 -2.661 -2.428 1.00 0.00 O ATOM 745 CB LYS A 73 28.984 -3.316 -2.230 1.00 0.00 C ATOM 746 CG LYS A 73 29.288 -4.464 -3.202 1.00 0.00 C ATOM 747 CD LYS A 73 30.610 -4.197 -3.934 1.00 0.00 C ATOM 748 CE LYS A 73 31.782 -4.564 -3.022 1.00 0.00 C ATOM 749 NZ LYS A 73 33.065 -4.234 -3.706 1.00 0.00 N ATOM 0 H LYS A 73 27.971 -0.805 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 73 28.987 -2.013 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 73 29.888 -3.032 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.257 -3.639 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 73 29.349 -5.406 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 73 28.477 -4.565 -3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 73 30.654 -4.782 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 73 30.674 -3.147 -4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 73 31.709 -4.020 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 73 31.749 -5.626 -2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 33.863 -4.483 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 33.134 -4.772 -4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 33.095 -3.216 -3.916 1.00 0.00 H new ATOM 763 N VAL A 74 26.577 -2.171 -4.575 1.00 0.00 N ATOM 764 CA VAL A 74 25.183 -2.358 -4.959 1.00 0.00 C ATOM 765 C VAL A 74 24.972 -3.749 -5.539 1.00 0.00 C ATOM 766 O VAL A 74 25.636 -4.138 -6.500 1.00 0.00 O ATOM 767 CB VAL A 74 24.779 -1.301 -5.990 1.00 0.00 C ATOM 768 CG1 VAL A 74 23.323 -1.516 -6.407 1.00 0.00 C ATOM 769 CG2 VAL A 74 24.934 0.094 -5.378 1.00 0.00 C ATOM 0 H VAL A 74 27.201 -1.911 -5.339 1.00 0.00 H new ATOM 0 HA VAL A 74 24.561 -2.251 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 74 25.421 -1.389 -6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 74 23.040 -0.762 -7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 74 23.213 -2.508 -6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 74 22.678 -1.432 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 74 24.647 0.847 -6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 74 24.294 0.179 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 74 25.973 0.250 -5.086 1.00 0.00 H new ATOM 779 N GLY A 75 24.050 -4.502 -4.948 1.00 0.00 N ATOM 780 CA GLY A 75 23.771 -5.853 -5.415 1.00 0.00 C ATOM 781 C GLY A 75 22.369 -6.293 -5.008 1.00 0.00 C ATOM 782 O GLY A 75 21.636 -5.547 -4.357 1.00 0.00 O ATOM 0 H GLY A 75 23.488 -4.202 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.868 -5.894 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.507 -6.543 -5.003 1.00 0.00 H new ATOM 786 N ASN A 76 22.001 -7.509 -5.400 1.00 0.00 N ATOM 787 CA ASN A 76 20.682 -8.039 -5.078 1.00 0.00 C ATOM 788 C ASN A 76 20.774 -9.091 -3.975 1.00 0.00 C ATOM 789 O ASN A 76 21.811 -9.727 -3.792 1.00 0.00 O ATOM 790 CB ASN A 76 20.047 -8.656 -6.325 1.00 0.00 C ATOM 791 CG ASN A 76 19.695 -7.557 -7.324 1.00 0.00 C ATOM 792 OD1 ASN A 76 19.614 -6.385 -6.956 1.00 0.00 O ATOM 793 ND2 ASN A 76 19.473 -7.868 -8.572 1.00 0.00 N ATOM 0 H ASN A 76 22.594 -8.142 -5.938 1.00 0.00 H new ATOM 0 HA ASN A 76 20.061 -7.216 -4.724 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.736 -9.367 -6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 76 19.150 -9.212 -6.051 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.232 -7.140 -9.244 1.00 0.00 H new ATOM 0 HD22 ASN A 76 19.541 -8.840 -8.875 1.00 0.00 H new ATOM 800 N PHE A 77 19.679 -9.260 -3.244 1.00 0.00 N ATOM 801 CA PHE A 77 19.632 -10.229 -2.159 1.00 0.00 C ATOM 802 C PHE A 77 18.206 -10.720 -1.932 1.00 0.00 C ATOM 803 O PHE A 77 17.235 -10.073 -2.344 1.00 0.00 O ATOM 804 CB PHE A 77 20.186 -9.597 -0.882 1.00 0.00 C ATOM 805 CG PHE A 77 19.386 -8.367 -0.546 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.266 -8.466 0.281 1.00 0.00 C ATOM 807 CD2 PHE A 77 19.770 -7.126 -1.064 1.00 0.00 C ATOM 808 CE1 PHE A 77 17.526 -7.322 0.596 1.00 0.00 C ATOM 809 CE2 PHE A 77 19.030 -5.979 -0.752 1.00 0.00 C ATOM 810 CZ PHE A 77 17.908 -6.077 0.078 1.00 0.00 C ATOM 0 H PHE A 77 18.813 -8.739 -3.383 1.00 0.00 H new ATOM 0 HA PHE A 77 20.245 -11.088 -2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.139 -10.311 -0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.236 -9.336 -1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.971 -9.426 0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 77 20.637 -7.052 -1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.661 -7.398 1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 77 19.325 -5.020 -1.152 1.00 0.00 H new ATOM 0 HZ PHE A 77 17.336 -5.193 0.320 1.00 0.00 H new ATOM 820 N LYS A 78 18.089 -11.877 -1.287 1.00 0.00 N ATOM 821 CA LYS A 78 16.783 -12.463 -1.026 1.00 0.00 C ATOM 822 C LYS A 78 16.023 -11.622 -0.013 1.00 0.00 C ATOM 823 O LYS A 78 16.440 -11.489 1.136 1.00 0.00 O ATOM 824 CB LYS A 78 16.953 -13.887 -0.491 1.00 0.00 C ATOM 825 CG LYS A 78 15.783 -14.755 -0.959 1.00 0.00 C ATOM 826 CD LYS A 78 16.209 -16.226 -0.948 1.00 0.00 C ATOM 827 CE LYS A 78 15.153 -17.072 -1.663 1.00 0.00 C ATOM 828 NZ LYS A 78 15.628 -18.481 -1.765 1.00 0.00 N ATOM 0 H LYS A 78 18.878 -12.422 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 78 16.217 -12.492 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.895 -14.308 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.996 -13.874 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.923 -14.609 -0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.475 -14.461 -1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.175 -16.339 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.332 -16.572 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.211 -17.034 -1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.962 -16.669 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.910 -19.055 -2.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.517 -18.510 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.789 -18.863 -0.811 1.00 0.00 H new ATOM 842 N PHE A 79 14.905 -11.060 -0.451 1.00 0.00 N ATOM 843 CA PHE A 79 14.087 -10.231 0.421 1.00 0.00 C ATOM 844 C PHE A 79 13.609 -11.030 1.624 1.00 0.00 C ATOM 845 O PHE A 79 13.324 -10.470 2.675 1.00 0.00 O ATOM 846 CB PHE A 79 12.893 -9.681 -0.359 1.00 0.00 C ATOM 847 CG PHE A 79 11.978 -10.816 -0.756 1.00 0.00 C ATOM 848 CD1 PHE A 79 10.849 -11.125 0.013 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.266 -11.559 -1.902 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.010 -12.179 -0.374 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.435 -12.608 -2.290 1.00 0.00 C ATOM 852 CZ PHE A 79 10.303 -12.921 -1.528 1.00 0.00 C ATOM 0 H PHE A 79 14.546 -11.163 -1.400 1.00 0.00 H new ATOM 0 HA PHE A 79 14.691 -9.398 0.782 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.349 -8.959 0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.239 -9.152 -1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.626 -10.553 0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.138 -11.319 -2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.138 -12.420 0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.664 -13.179 -3.178 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.656 -13.732 -1.828 1.00 0.00 H new ATOM 862 N ILE A 80 13.518 -12.341 1.465 1.00 0.00 N ATOM 863 CA ILE A 80 13.074 -13.199 2.555 1.00 0.00 C ATOM 864 C ILE A 80 14.082 -13.182 3.700 1.00 0.00 C ATOM 865 O ILE A 80 13.705 -13.216 4.867 1.00 0.00 O ATOM 866 CB ILE A 80 12.892 -14.627 2.051 1.00 0.00 C ATOM 867 CG1 ILE A 80 11.742 -14.649 1.045 1.00 0.00 C ATOM 868 CG2 ILE A 80 12.559 -15.547 3.225 1.00 0.00 C ATOM 869 CD1 ILE A 80 11.697 -16.003 0.339 1.00 0.00 C ATOM 0 H ILE A 80 13.743 -12.832 0.600 1.00 0.00 H new ATOM 0 HA ILE A 80 12.121 -12.821 2.925 1.00 0.00 H new ATOM 0 HB ILE A 80 13.810 -14.972 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.797 -14.463 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.871 -13.851 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.429 -16.567 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 80 13.372 -15.520 3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.638 -15.211 3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.875 -16.013 -0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.637 -16.171 -0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.546 -16.792 1.075 1.00 0.00 H new ATOM 881 N TYR A 81 15.361 -13.157 3.345 1.00 0.00 N ATOM 882 CA TYR A 81 16.440 -13.162 4.334 1.00 0.00 C ATOM 883 C TYR A 81 16.643 -11.769 4.941 1.00 0.00 C ATOM 884 O TYR A 81 17.423 -11.599 5.890 1.00 0.00 O ATOM 885 CB TYR A 81 17.741 -13.627 3.657 1.00 0.00 C ATOM 886 CG TYR A 81 17.628 -15.081 3.210 1.00 0.00 C ATOM 887 CD1 TYR A 81 16.479 -15.847 3.497 1.00 0.00 C ATOM 888 CD2 TYR A 81 18.681 -15.664 2.491 1.00 0.00 C ATOM 889 CE1 TYR A 81 16.393 -17.174 3.067 1.00 0.00 C ATOM 890 CE2 TYR A 81 18.590 -16.994 2.063 1.00 0.00 C ATOM 891 CZ TYR A 81 17.448 -17.749 2.351 1.00 0.00 C ATOM 892 OH TYR A 81 17.362 -19.060 1.926 1.00 0.00 O ATOM 0 H TYR A 81 15.680 -13.133 2.377 1.00 0.00 H new ATOM 0 HA TYR A 81 16.170 -13.845 5.140 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.956 -12.993 2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.576 -13.518 4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 81 15.663 -15.407 4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 81 19.565 -15.085 2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.511 -17.756 3.288 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.404 -17.438 1.509 1.00 0.00 H new ATOM 0 HH TYR A 81 18.179 -19.301 1.442 1.00 0.00 H new ATOM 902 N VAL A 82 15.946 -10.778 4.389 1.00 0.00 N ATOM 903 CA VAL A 82 16.062 -9.410 4.869 1.00 0.00 C ATOM 904 C VAL A 82 14.710 -8.875 5.325 1.00 0.00 C ATOM 905 O VAL A 82 13.693 -9.106 4.685 1.00 0.00 O ATOM 906 CB VAL A 82 16.621 -8.524 3.759 1.00 0.00 C ATOM 907 CG1 VAL A 82 16.730 -7.088 4.272 1.00 0.00 C ATOM 908 CG2 VAL A 82 18.006 -9.046 3.338 1.00 0.00 C ATOM 0 H VAL A 82 15.298 -10.900 3.611 1.00 0.00 H new ATOM 0 HA VAL A 82 16.739 -9.400 5.723 1.00 0.00 H new ATOM 0 HB VAL A 82 15.958 -8.545 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 82 17.129 -6.449 3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 82 15.743 -6.730 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 82 17.396 -7.059 5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 82 18.407 -8.415 2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 82 18.679 -9.024 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 82 17.914 -10.070 2.975 1.00 0.00 H new ATOM 918 N ASP A 83 14.714 -8.158 6.437 1.00 0.00 N ATOM 919 CA ASP A 83 13.484 -7.590 6.969 1.00 0.00 C ATOM 920 C ASP A 83 13.450 -6.084 6.726 1.00 0.00 C ATOM 921 O ASP A 83 14.432 -5.382 6.969 1.00 0.00 O ATOM 922 CB ASP A 83 13.365 -7.888 8.465 1.00 0.00 C ATOM 923 CG ASP A 83 11.963 -7.541 8.957 1.00 0.00 C ATOM 924 OD1 ASP A 83 11.193 -7.018 8.170 1.00 0.00 O ATOM 925 OD2 ASP A 83 11.679 -7.805 10.113 1.00 0.00 O ATOM 0 H ASP A 83 15.549 -7.956 6.987 1.00 0.00 H new ATOM 0 HA ASP A 83 12.638 -8.046 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.575 -8.941 8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.106 -7.312 9.019 1.00 0.00 H new ATOM 930 N VAL A 84 12.310 -5.597 6.256 1.00 0.00 N ATOM 931 CA VAL A 84 12.149 -4.170 5.990 1.00 0.00 C ATOM 932 C VAL A 84 11.951 -3.409 7.299 1.00 0.00 C ATOM 933 O VAL A 84 10.985 -3.645 8.024 1.00 0.00 O ATOM 934 CB VAL A 84 10.952 -3.919 5.052 1.00 0.00 C ATOM 935 CG1 VAL A 84 9.757 -4.801 5.448 1.00 0.00 C ATOM 936 CG2 VAL A 84 10.544 -2.446 5.140 1.00 0.00 C ATOM 0 H VAL A 84 11.486 -6.163 6.051 1.00 0.00 H new ATOM 0 HA VAL A 84 13.054 -3.811 5.500 1.00 0.00 H new ATOM 0 HB VAL A 84 11.247 -4.168 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.923 -4.608 4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.042 -5.851 5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.457 -4.570 6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.697 -2.263 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.261 -2.207 6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.382 -1.818 4.839 1.00 0.00 H new ATOM 946 N ILE A 85 12.877 -2.496 7.600 1.00 0.00 N ATOM 947 CA ILE A 85 12.794 -1.711 8.830 1.00 0.00 C ATOM 948 C ILE A 85 12.376 -0.279 8.515 1.00 0.00 C ATOM 949 O ILE A 85 12.711 0.254 7.458 1.00 0.00 O ATOM 950 CB ILE A 85 14.153 -1.716 9.553 1.00 0.00 C ATOM 951 CG1 ILE A 85 13.931 -2.089 11.022 1.00 0.00 C ATOM 952 CG2 ILE A 85 14.815 -0.331 9.473 1.00 0.00 C ATOM 953 CD1 ILE A 85 15.254 -2.009 11.783 1.00 0.00 C ATOM 0 H ILE A 85 13.685 -2.284 7.014 1.00 0.00 H new ATOM 0 HA ILE A 85 12.045 -2.160 9.482 1.00 0.00 H new ATOM 0 HB ILE A 85 14.809 -2.442 9.073 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.201 -1.415 11.471 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.521 -3.096 11.093 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.774 -0.356 9.990 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.973 -0.063 8.428 1.00 0.00 H new ATOM 0 HG23 ILE A 85 14.168 0.409 9.944 1.00 0.00 H new ATOM 0 HD11 ILE A 85 15.090 -2.275 12.827 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.971 -2.701 11.340 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.646 -0.994 11.725 1.00 0.00 H new ATOM 965 N SER A 86 11.649 0.343 9.437 1.00 0.00 N ATOM 966 CA SER A 86 11.207 1.718 9.236 1.00 0.00 C ATOM 967 C SER A 86 11.911 2.644 10.222 1.00 0.00 C ATOM 968 O SER A 86 12.215 2.247 11.346 1.00 0.00 O ATOM 969 CB SER A 86 9.692 1.817 9.425 1.00 0.00 C ATOM 970 OG SER A 86 9.361 1.461 10.760 1.00 0.00 O ATOM 0 H SER A 86 11.356 -0.076 10.320 1.00 0.00 H new ATOM 0 HA SER A 86 11.459 2.021 8.220 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.353 2.831 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.183 1.157 8.723 1.00 0.00 H new ATOM 0 HG SER A 86 8.391 1.525 10.885 1.00 0.00 H new ATOM 976 N GLU A 87 12.165 3.877 9.797 1.00 0.00 N ATOM 977 CA GLU A 87 12.833 4.847 10.659 1.00 0.00 C ATOM 978 C GLU A 87 12.335 6.257 10.358 1.00 0.00 C ATOM 979 O GLU A 87 12.921 7.194 10.877 1.00 0.00 O ATOM 980 CB GLU A 87 14.350 4.787 10.454 1.00 0.00 C ATOM 981 CG GLU A 87 14.873 3.406 10.859 1.00 0.00 C ATOM 982 CD GLU A 87 16.391 3.355 10.708 1.00 0.00 C ATOM 983 OE1 GLU A 87 16.954 4.334 10.247 1.00 0.00 O ATOM 984 OE2 GLU A 87 16.967 2.339 11.057 1.00 0.00 O ATOM 0 H GLU A 87 11.922 4.227 8.870 1.00 0.00 H new ATOM 0 HA GLU A 87 12.601 4.599 11.695 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.594 4.987 9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.838 5.560 11.049 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.595 3.192 11.891 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.412 2.638 10.238 1.00 0.00 H new