USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 62 THR OG1 : rot -76:sc= 1.72 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -149:sc= 1.27 (180deg=-0.129) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.0393 K(o=0.2,f=-2.1!) USER MOD Set 2.2: A 26 THR OG1 : rot -170:sc= 0.16 USER MOD Set 3.1: A 2 TYR OH : rot -54:sc= 0.817 USER MOD Set 3.2: A 6 SER OG : rot 6:sc= 1.96 USER MOD Single : A 4 CYS SG : rot 180:sc= 0.288 USER MOD Single : A 9 LYS NZ :NH3+ 155:sc= 1.27 (180deg=1.19) USER MOD Single : A 12 GLN : amide:sc= 1.92 K(o=1.9,f=-7!) USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= -0.549 (180deg=-0.685) USER MOD Single : A 17 MET CE :methyl -119:sc= 0 (180deg=-0.596) USER MOD Single : A 21 GLN : amide:sc= 0.118 K(o=0.12,f=-3.2!) USER MOD Single : A 28 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 29 GLN : amide:sc= 1.13 K(o=1.1,f=-0.022) USER MOD Single : A 32 SER OG : rot -77:sc= 0.901 USER MOD Single : A 33 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.72) USER MOD Single : A 37 LYS NZ :NH3+ -153:sc= 1.02 (180deg=0.127) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= 0.602 (180deg=0.319) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -165:sc= -1.12 (180deg=-1.96) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -123:sc= 1.18 USER MOD Single : A 65 LYS NZ :NH3+ -151:sc= 1.6 (180deg=1.05) USER MOD Single : A 67 GLN : amide:sc= 0.149 X(o=0.15,f=-0.23) USER MOD Single : A 74 LYS NZ :NH3+ 158:sc= -0.173 (180deg=-0.574) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -15.323 -1.957 6.781 1.00 0.00 N ATOM 11 CA TYR A 2 -14.075 -2.058 7.563 1.00 0.00 C ATOM 12 C TYR A 2 -12.833 -1.882 6.690 1.00 0.00 C ATOM 13 O TYR A 2 -11.915 -1.150 7.053 1.00 0.00 O ATOM 14 CB TYR A 2 -14.058 -3.414 8.296 1.00 0.00 C ATOM 15 CG TYR A 2 -12.729 -3.804 8.926 1.00 0.00 C ATOM 16 CD1 TYR A 2 -11.983 -2.882 9.688 1.00 0.00 C ATOM 17 CD2 TYR A 2 -12.194 -5.084 8.668 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.690 -3.213 10.129 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.907 -5.425 9.120 1.00 0.00 C ATOM 20 CZ TYR A 2 -10.136 -4.479 9.829 1.00 0.00 C ATOM 21 OH TYR A 2 -8.839 -4.751 10.128 1.00 0.00 O ATOM 0 HA TYR A 2 -14.050 -1.247 8.291 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.818 -3.394 9.077 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -14.347 -4.192 7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.406 -1.919 9.934 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -12.778 -5.808 8.119 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.117 -2.497 10.700 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.509 -6.410 8.925 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.261 -4.065 9.733 1.00 0.00 H new ATOM 31 N PHE A 3 -12.859 -2.484 5.500 1.00 0.00 N ATOM 32 CA PHE A 3 -11.839 -2.339 4.481 1.00 0.00 C ATOM 33 C PHE A 3 -11.341 -0.906 4.296 1.00 0.00 C ATOM 34 O PHE A 3 -10.149 -0.756 4.081 1.00 0.00 O ATOM 35 CB PHE A 3 -12.385 -2.850 3.149 1.00 0.00 C ATOM 36 CG PHE A 3 -12.383 -4.337 2.871 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.995 -5.296 3.831 1.00 0.00 C ATOM 38 CD2 PHE A 3 -12.719 -4.747 1.568 1.00 0.00 C ATOM 39 CE1 PHE A 3 -11.937 -6.653 3.475 1.00 0.00 C ATOM 40 CE2 PHE A 3 -12.660 -6.102 1.213 1.00 0.00 C ATOM 41 CZ PHE A 3 -12.263 -7.050 2.167 1.00 0.00 C ATOM 0 H PHE A 3 -13.618 -3.104 5.218 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.983 -2.924 4.818 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.414 -2.501 3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.816 -2.367 2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -11.744 -4.987 4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -13.024 -4.013 0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.642 -7.391 4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.919 -6.414 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.207 -8.094 1.894 1.00 0.00 H new ATOM 51 N CYS A 4 -12.191 0.127 4.353 1.00 0.00 N ATOM 52 CA CYS A 4 -11.749 1.498 4.121 1.00 0.00 C ATOM 53 C CYS A 4 -10.693 1.935 5.144 1.00 0.00 C ATOM 54 O CYS A 4 -9.652 2.461 4.756 1.00 0.00 O ATOM 55 CB CYS A 4 -12.936 2.468 4.109 1.00 0.00 C ATOM 56 SG CYS A 4 -12.491 4.044 3.341 1.00 0.00 S ATOM 0 H CYS A 4 -13.186 0.035 4.558 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.281 1.524 3.137 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.769 2.020 3.567 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.276 2.642 5.130 1.00 0.00 H new ATOM 0 HG CYS A 4 -13.522 4.836 3.348 1.00 0.00 H new ATOM 61 N GLU A 5 -10.948 1.696 6.436 1.00 0.00 N ATOM 62 CA GLU A 5 -10.037 2.023 7.532 1.00 0.00 C ATOM 63 C GLU A 5 -8.711 1.322 7.280 1.00 0.00 C ATOM 64 O GLU A 5 -7.671 1.969 7.146 1.00 0.00 O ATOM 65 CB GLU A 5 -10.679 1.596 8.871 1.00 0.00 C ATOM 66 CG GLU A 5 -9.808 1.806 10.126 1.00 0.00 C ATOM 67 CD GLU A 5 -8.599 0.862 10.245 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.746 -0.367 10.050 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.486 1.375 10.503 1.00 0.00 O ATOM 0 H GLU A 5 -11.814 1.260 6.752 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.851 3.096 7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.609 2.149 9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.943 0.540 8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.448 2.835 10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.435 1.682 11.009 1.00 0.00 H new ATOM 76 N SER A 6 -8.760 -0.005 7.193 1.00 0.00 N ATOM 77 CA SER A 6 -7.560 -0.803 7.080 1.00 0.00 C ATOM 78 C SER A 6 -6.820 -0.507 5.779 1.00 0.00 C ATOM 79 O SER A 6 -5.597 -0.480 5.793 1.00 0.00 O ATOM 80 CB SER A 6 -7.885 -2.266 7.327 1.00 0.00 C ATOM 81 OG SER A 6 -7.958 -2.480 8.727 1.00 0.00 O ATOM 0 H SER A 6 -9.626 -0.544 7.199 1.00 0.00 H new ATOM 0 HA SER A 6 -6.849 -0.527 7.858 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.831 -2.529 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.119 -2.904 6.886 1.00 0.00 H new ATOM 0 HG SER A 6 -7.874 -1.622 9.194 1.00 0.00 H new ATOM 87 N CYS A 7 -7.510 -0.290 4.660 1.00 0.00 N ATOM 88 CA CYS A 7 -6.904 0.130 3.404 1.00 0.00 C ATOM 89 C CYS A 7 -6.147 1.442 3.616 1.00 0.00 C ATOM 90 O CYS A 7 -4.958 1.508 3.302 1.00 0.00 O ATOM 91 CB CYS A 7 -7.981 0.264 2.322 1.00 0.00 C ATOM 92 SG CYS A 7 -7.441 1.069 0.798 1.00 0.00 S ATOM 0 H CYS A 7 -8.522 -0.404 4.603 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.190 -0.621 3.067 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.353 -0.731 2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.820 0.826 2.734 1.00 0.00 H new ATOM 97 N ARG A 8 -6.793 2.466 4.191 1.00 0.00 N ATOM 98 CA ARG A 8 -6.145 3.741 4.485 1.00 0.00 C ATOM 99 C ARG A 8 -4.917 3.505 5.358 1.00 0.00 C ATOM 100 O ARG A 8 -3.867 4.066 5.067 1.00 0.00 O ATOM 101 CB ARG A 8 -7.160 4.727 5.101 1.00 0.00 C ATOM 102 CG ARG A 8 -6.569 6.114 5.431 1.00 0.00 C ATOM 103 CD ARG A 8 -6.439 6.379 6.937 1.00 0.00 C ATOM 104 NE ARG A 8 -5.618 7.583 7.203 1.00 0.00 N ATOM 105 CZ ARG A 8 -5.999 8.756 7.731 1.00 0.00 C ATOM 106 NH1 ARG A 8 -7.261 8.971 8.106 1.00 0.00 N ATOM 107 NH2 ARG A 8 -5.095 9.719 7.877 1.00 0.00 N ATOM 0 H ARG A 8 -7.776 2.429 4.462 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.791 4.206 3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.993 4.854 4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.567 4.291 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.586 6.201 4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.200 6.884 4.987 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.430 6.508 7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.988 5.514 7.423 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.632 7.511 6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.959 8.236 7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.528 9.871 8.505 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.129 9.560 7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.367 10.617 8.277 1.00 0.00 H new ATOM 121 N LYS A 9 -5.019 2.681 6.403 1.00 0.00 N ATOM 122 CA LYS A 9 -3.904 2.332 7.273 1.00 0.00 C ATOM 123 C LYS A 9 -2.785 1.638 6.488 1.00 0.00 C ATOM 124 O LYS A 9 -1.628 1.996 6.677 1.00 0.00 O ATOM 125 CB LYS A 9 -4.441 1.486 8.441 1.00 0.00 C ATOM 126 CG LYS A 9 -3.364 1.159 9.485 1.00 0.00 C ATOM 127 CD LYS A 9 -3.920 0.370 10.687 1.00 0.00 C ATOM 128 CE LYS A 9 -4.196 1.217 11.941 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.309 2.171 11.764 1.00 0.00 N ATOM 0 H LYS A 9 -5.895 2.232 6.669 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.450 3.233 7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.259 2.021 8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.855 0.557 8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.570 0.581 9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.915 2.086 9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.846 -0.120 10.385 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.212 -0.417 10.946 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.423 0.555 12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.293 1.767 12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.725 2.395 12.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.952 3.043 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.035 1.747 11.152 1.00 0.00 H new ATOM 143 N ILE A 10 -3.095 0.652 5.644 1.00 0.00 N ATOM 144 CA ILE A 10 -2.124 -0.118 4.868 1.00 0.00 C ATOM 145 C ILE A 10 -1.369 0.832 3.933 1.00 0.00 C ATOM 146 O ILE A 10 -0.139 0.827 3.950 1.00 0.00 O ATOM 147 CB ILE A 10 -2.807 -1.321 4.163 1.00 0.00 C ATOM 148 CG1 ILE A 10 -3.167 -2.397 5.216 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.903 -1.989 3.109 1.00 0.00 C ATOM 150 CD1 ILE A 10 -4.233 -3.395 4.748 1.00 0.00 C ATOM 0 H ILE A 10 -4.058 0.359 5.477 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.378 -0.572 5.520 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.691 -0.927 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.264 -2.945 5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.520 -1.902 6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.434 -2.823 2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.639 -1.261 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.996 -2.356 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.430 -4.116 5.541 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.152 -2.860 4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.876 -3.919 3.862 1.00 0.00 H new ATOM 162 N ILE A 11 -2.083 1.653 3.154 1.00 0.00 N ATOM 163 CA ILE A 11 -1.483 2.631 2.252 1.00 0.00 C ATOM 164 C ILE A 11 -0.630 3.619 3.047 1.00 0.00 C ATOM 165 O ILE A 11 0.540 3.785 2.727 1.00 0.00 O ATOM 166 CB ILE A 11 -2.572 3.330 1.402 1.00 0.00 C ATOM 167 CG1 ILE A 11 -3.235 2.393 0.360 1.00 0.00 C ATOM 168 CG2 ILE A 11 -2.034 4.579 0.684 1.00 0.00 C ATOM 169 CD1 ILE A 11 -2.285 1.661 -0.593 1.00 0.00 C ATOM 0 H ILE A 11 -3.103 1.654 3.135 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.821 2.122 1.551 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.335 3.627 2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.824 1.648 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.932 2.982 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.833 5.036 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.669 5.294 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.218 4.294 0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.863 1.037 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.712 2.390 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.603 1.035 -0.017 1.00 0.00 H new ATOM 181 N GLN A 12 -1.177 4.265 4.077 1.00 0.00 N ATOM 182 CA GLN A 12 -0.440 5.266 4.844 1.00 0.00 C ATOM 183 C GLN A 12 0.815 4.686 5.471 1.00 0.00 C ATOM 184 O GLN A 12 1.832 5.362 5.550 1.00 0.00 O ATOM 185 CB GLN A 12 -1.334 5.879 5.920 1.00 0.00 C ATOM 186 CG GLN A 12 -2.324 6.859 5.282 1.00 0.00 C ATOM 187 CD GLN A 12 -2.060 8.278 5.757 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.815 8.776 6.595 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.019 8.921 5.256 1.00 0.00 N ATOM 0 H GLN A 12 -2.132 4.111 4.399 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.131 6.047 4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.876 5.093 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.724 6.396 6.661 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.240 6.813 4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.344 6.570 5.536 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.423 8.466 4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.812 9.872 5.561 1.00 0.00 H new ATOM 198 N LYS A 13 0.761 3.450 5.964 1.00 0.00 N ATOM 199 CA LYS A 13 1.930 2.851 6.568 1.00 0.00 C ATOM 200 C LYS A 13 2.952 2.526 5.445 1.00 0.00 C ATOM 201 O LYS A 13 4.133 2.385 5.725 1.00 0.00 O ATOM 202 CB LYS A 13 1.464 1.753 7.533 1.00 0.00 C ATOM 203 CG LYS A 13 2.497 1.403 8.612 1.00 0.00 C ATOM 204 CD LYS A 13 3.725 0.703 8.057 1.00 0.00 C ATOM 205 CE LYS A 13 4.129 -0.486 8.907 1.00 0.00 C ATOM 206 NZ LYS A 13 4.621 -1.549 8.022 1.00 0.00 N ATOM 0 H LYS A 13 -0.070 2.859 5.954 1.00 0.00 H new ATOM 0 HA LYS A 13 2.510 3.503 7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.541 2.074 8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.229 0.855 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.806 2.316 9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.029 0.764 9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.524 0.370 7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.553 1.410 8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.903 -0.197 9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.279 -0.842 9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.870 -2.385 8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.879 -1.803 7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.462 -1.214 7.511 1.00 0.00 H new ATOM 220 N LEU A 14 2.543 2.265 4.198 1.00 0.00 N ATOM 221 CA LEU A 14 3.502 2.097 3.093 1.00 0.00 C ATOM 222 C LEU A 14 4.128 3.452 2.767 1.00 0.00 C ATOM 223 O LEU A 14 5.324 3.515 2.514 1.00 0.00 O ATOM 224 CB LEU A 14 2.810 1.520 1.843 1.00 0.00 C ATOM 225 CG LEU A 14 3.694 1.429 0.584 1.00 0.00 C ATOM 226 CD1 LEU A 14 5.018 0.697 0.806 1.00 0.00 C ATOM 227 CD2 LEU A 14 2.886 0.677 -0.481 1.00 0.00 C ATOM 0 H LEU A 14 1.565 2.166 3.927 1.00 0.00 H new ATOM 0 HA LEU A 14 4.276 1.394 3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.441 0.522 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.940 2.135 1.613 1.00 0.00 H new ATOM 0 HG LEU A 14 3.956 2.444 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.582 0.675 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.598 1.217 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.819 -0.323 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.477 0.590 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.637 -0.319 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.968 1.224 -0.695 1.00 0.00 H new ATOM 239 N GLU A 15 3.323 4.514 2.786 1.00 0.00 N ATOM 240 CA GLU A 15 3.721 5.899 2.553 1.00 0.00 C ATOM 241 C GLU A 15 4.827 6.200 3.590 1.00 0.00 C ATOM 242 O GLU A 15 5.918 6.600 3.204 1.00 0.00 O ATOM 243 CB GLU A 15 2.408 6.718 2.582 1.00 0.00 C ATOM 244 CG GLU A 15 2.392 8.135 2.001 1.00 0.00 C ATOM 245 CD GLU A 15 0.950 8.689 1.904 1.00 0.00 C ATOM 246 OE1 GLU A 15 0.104 8.374 2.781 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.659 9.432 0.931 1.00 0.00 O ATOM 0 H GLU A 15 2.324 4.425 2.974 1.00 0.00 H new ATOM 0 HA GLU A 15 4.178 6.152 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.650 6.139 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.089 6.787 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.995 8.793 2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.849 8.129 1.011 1.00 0.00 H new ATOM 254 N ASP A 16 4.590 5.895 4.877 1.00 0.00 N ATOM 255 CA ASP A 16 5.561 5.962 5.997 1.00 0.00 C ATOM 256 C ASP A 16 6.884 5.273 5.710 1.00 0.00 C ATOM 257 O ASP A 16 7.930 5.732 6.160 1.00 0.00 O ATOM 258 CB ASP A 16 4.914 5.260 7.225 1.00 0.00 C ATOM 259 CG ASP A 16 5.831 4.711 8.354 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.179 3.490 8.325 1.00 0.00 O ATOM 261 OD2 ASP A 16 6.013 5.398 9.376 1.00 0.00 O ATOM 0 H ASP A 16 3.671 5.578 5.186 1.00 0.00 H new ATOM 0 HA ASP A 16 5.782 7.016 6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.221 5.968 7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.319 4.427 6.851 1.00 0.00 H new ATOM 266 N MET A 17 6.834 4.129 5.038 1.00 0.00 N ATOM 267 CA MET A 17 8.020 3.340 4.779 1.00 0.00 C ATOM 268 C MET A 17 8.804 3.853 3.592 1.00 0.00 C ATOM 269 O MET A 17 10.007 4.053 3.725 1.00 0.00 O ATOM 270 CB MET A 17 7.653 1.871 4.615 1.00 0.00 C ATOM 271 CG MET A 17 7.220 1.362 5.984 1.00 0.00 C ATOM 272 SD MET A 17 6.669 -0.342 5.993 1.00 0.00 S ATOM 273 CE MET A 17 8.256 -1.159 5.777 1.00 0.00 C ATOM 0 H MET A 17 5.974 3.729 4.662 1.00 0.00 H new ATOM 0 HA MET A 17 8.676 3.437 5.644 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.849 1.754 3.888 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.504 1.300 4.243 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.054 1.466 6.678 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.414 1.995 6.356 1.00 0.00 H new ATOM 0 HE1 MET A 17 8.244 -1.738 4.854 1.00 0.00 H new ATOM 0 HE2 MET A 17 9.047 -0.410 5.726 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.440 -1.825 6.620 1.00 0.00 H new ATOM 283 N VAL A 18 8.184 3.872 2.408 1.00 0.00 N ATOM 284 CA VAL A 18 8.906 4.270 1.211 1.00 0.00 C ATOM 285 C VAL A 18 9.378 5.726 1.366 1.00 0.00 C ATOM 286 O VAL A 18 10.478 6.072 0.944 1.00 0.00 O ATOM 287 CB VAL A 18 8.088 3.973 -0.056 1.00 0.00 C ATOM 288 CG1 VAL A 18 7.030 5.018 -0.419 1.00 0.00 C ATOM 289 CG2 VAL A 18 9.014 3.607 -1.211 1.00 0.00 C ATOM 0 H VAL A 18 7.206 3.622 2.260 1.00 0.00 H new ATOM 0 HA VAL A 18 9.808 3.671 1.086 1.00 0.00 H new ATOM 0 HB VAL A 18 7.475 3.103 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.512 4.711 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.312 5.107 0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.512 5.982 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.421 3.399 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.691 4.437 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.593 2.722 -0.947 1.00 0.00 H new ATOM 299 N GLY A 19 8.532 6.570 1.972 1.00 0.00 N ATOM 300 CA GLY A 19 8.810 7.967 2.214 1.00 0.00 C ATOM 301 C GLY A 19 8.590 8.760 0.914 1.00 0.00 C ATOM 302 O GLY A 19 7.565 8.559 0.254 1.00 0.00 O ATOM 0 H GLY A 19 7.615 6.279 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.159 8.348 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.836 8.091 2.560 1.00 0.00 H new ATOM 306 N PRO A 20 9.462 9.730 0.580 1.00 0.00 N ATOM 307 CA PRO A 20 9.309 10.588 -0.587 1.00 0.00 C ATOM 308 C PRO A 20 9.569 9.832 -1.899 1.00 0.00 C ATOM 309 O PRO A 20 9.997 8.682 -1.902 1.00 0.00 O ATOM 310 CB PRO A 20 10.325 11.717 -0.374 1.00 0.00 C ATOM 311 CG PRO A 20 11.466 11.007 0.346 1.00 0.00 C ATOM 312 CD PRO A 20 10.729 10.007 1.234 1.00 0.00 C ATOM 0 HA PRO A 20 8.290 10.963 -0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 20 10.651 12.153 -1.319 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.910 12.528 0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 20 12.139 10.510 -0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.070 11.701 0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.311 9.093 1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.569 10.418 2.231 1.00 0.00 H new ATOM 320 N GLN A 21 9.317 10.551 -2.998 1.00 0.00 N ATOM 321 CA GLN A 21 9.503 10.249 -4.427 1.00 0.00 C ATOM 322 C GLN A 21 10.106 8.853 -4.693 1.00 0.00 C ATOM 323 O GLN A 21 11.305 8.745 -4.961 1.00 0.00 O ATOM 324 CB GLN A 21 10.342 11.358 -5.101 1.00 0.00 C ATOM 325 CG GLN A 21 9.676 12.744 -5.150 1.00 0.00 C ATOM 326 CD GLN A 21 9.732 13.487 -3.816 1.00 0.00 C ATOM 327 OE1 GLN A 21 8.839 13.361 -2.986 1.00 0.00 O ATOM 328 NE2 GLN A 21 10.782 14.251 -3.560 1.00 0.00 N ATOM 0 H GLN A 21 8.924 11.486 -2.894 1.00 0.00 H new ATOM 0 HA GLN A 21 8.509 10.226 -4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.290 11.447 -4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.574 11.048 -6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.164 13.348 -5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.635 12.629 -5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.521 14.351 -4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.852 14.739 -2.667 1.00 0.00 H new ATOM 337 N PRO A 22 9.297 7.783 -4.629 1.00 0.00 N ATOM 338 CA PRO A 22 9.792 6.421 -4.736 1.00 0.00 C ATOM 339 C PRO A 22 9.838 5.940 -6.195 1.00 0.00 C ATOM 340 O PRO A 22 9.449 6.652 -7.122 1.00 0.00 O ATOM 341 CB PRO A 22 8.797 5.635 -3.897 1.00 0.00 C ATOM 342 CG PRO A 22 7.473 6.305 -4.229 1.00 0.00 C ATOM 343 CD PRO A 22 7.874 7.777 -4.307 1.00 0.00 C ATOM 0 HA PRO A 22 10.820 6.307 -4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.792 4.577 -4.160 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.026 5.698 -2.833 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.058 5.945 -5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.721 6.127 -3.460 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.298 8.300 -5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.685 8.285 -3.361 1.00 0.00 H new ATOM 351 N ASN A 23 10.237 4.682 -6.400 1.00 0.00 N ATOM 352 CA ASN A 23 10.235 3.990 -7.688 1.00 0.00 C ATOM 353 C ASN A 23 9.742 2.557 -7.456 1.00 0.00 C ATOM 354 O ASN A 23 9.735 2.088 -6.318 1.00 0.00 O ATOM 355 CB ASN A 23 11.632 3.988 -8.330 1.00 0.00 C ATOM 356 CG ASN A 23 12.566 3.042 -7.591 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.511 1.835 -7.791 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.374 3.565 -6.688 1.00 0.00 N ATOM 0 H ASN A 23 10.584 4.095 -5.641 1.00 0.00 H new ATOM 0 HA ASN A 23 9.573 4.511 -8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.556 3.688 -9.375 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.044 4.997 -8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.977 2.959 -6.132 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.395 4.575 -6.547 1.00 0.00 H new ATOM 365 N GLU A 24 9.283 1.902 -8.525 1.00 0.00 N ATOM 366 CA GLU A 24 8.652 0.578 -8.548 1.00 0.00 C ATOM 367 C GLU A 24 9.315 -0.469 -7.642 1.00 0.00 C ATOM 368 O GLU A 24 8.596 -1.200 -6.956 1.00 0.00 O ATOM 369 CB GLU A 24 8.608 0.109 -10.013 1.00 0.00 C ATOM 370 CG GLU A 24 7.968 -1.276 -10.272 1.00 0.00 C ATOM 371 CD GLU A 24 6.433 -1.279 -10.237 1.00 0.00 C ATOM 372 OE1 GLU A 24 5.822 -0.251 -9.877 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.792 -2.236 -10.729 1.00 0.00 O ATOM 0 H GLU A 24 9.346 2.308 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 24 7.650 0.679 -8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.061 0.852 -10.594 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.628 0.092 -10.397 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.298 -1.640 -11.245 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.338 -1.980 -9.526 1.00 0.00 H new ATOM 380 N ASP A 25 10.652 -0.528 -7.592 1.00 0.00 N ATOM 381 CA ASP A 25 11.353 -1.465 -6.712 1.00 0.00 C ATOM 382 C ASP A 25 11.145 -1.054 -5.271 1.00 0.00 C ATOM 383 O ASP A 25 10.611 -1.824 -4.478 1.00 0.00 O ATOM 384 CB ASP A 25 12.862 -1.549 -6.976 1.00 0.00 C ATOM 385 CG ASP A 25 13.510 -2.331 -5.823 1.00 0.00 C ATOM 386 OD1 ASP A 25 13.368 -3.571 -5.809 1.00 0.00 O ATOM 387 OD2 ASP A 25 14.038 -1.668 -4.897 1.00 0.00 O ATOM 0 H ASP A 25 11.267 0.063 -8.151 1.00 0.00 H new ATOM 0 HA ASP A 25 10.931 -2.449 -6.918 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.054 -2.046 -7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.292 -0.550 -7.046 1.00 0.00 H new ATOM 392 N THR A 26 11.531 0.175 -4.940 1.00 0.00 N ATOM 393 CA THR A 26 11.520 0.664 -3.576 1.00 0.00 C ATOM 394 C THR A 26 10.103 0.564 -2.998 1.00 0.00 C ATOM 395 O THR A 26 9.950 0.187 -1.836 1.00 0.00 O ATOM 396 CB THR A 26 12.139 2.069 -3.559 1.00 0.00 C ATOM 397 OG1 THR A 26 13.360 2.027 -4.284 1.00 0.00 O ATOM 398 CG2 THR A 26 12.514 2.527 -2.148 1.00 0.00 C ATOM 0 H THR A 26 11.862 0.860 -5.620 1.00 0.00 H new ATOM 0 HA THR A 26 12.133 0.052 -2.915 1.00 0.00 H new ATOM 0 HB THR A 26 11.400 2.749 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.847 2.867 -4.153 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.947 3.526 -2.193 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.622 2.546 -1.522 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.241 1.835 -1.722 1.00 0.00 H new ATOM 406 N VAL A 27 9.057 0.806 -3.800 1.00 0.00 N ATOM 407 CA VAL A 27 7.689 0.592 -3.345 1.00 0.00 C ATOM 408 C VAL A 27 7.472 -0.908 -3.107 1.00 0.00 C ATOM 409 O VAL A 27 6.946 -1.269 -2.060 1.00 0.00 O ATOM 410 CB VAL A 27 6.631 1.168 -4.311 1.00 0.00 C ATOM 411 CG1 VAL A 27 5.246 1.067 -3.651 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.841 2.650 -4.642 1.00 0.00 C ATOM 0 H VAL A 27 9.137 1.147 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 27 7.555 1.138 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 27 6.717 0.589 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.491 1.471 -4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.020 0.022 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.244 1.636 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.060 2.984 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.797 3.237 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.816 2.783 -5.112 1.00 0.00 H new ATOM 422 N THR A 28 7.860 -1.789 -4.030 1.00 0.00 N ATOM 423 CA THR A 28 7.694 -3.236 -3.913 1.00 0.00 C ATOM 424 C THR A 28 8.385 -3.799 -2.660 1.00 0.00 C ATOM 425 O THR A 28 7.765 -4.589 -1.931 1.00 0.00 O ATOM 426 CB THR A 28 8.170 -3.900 -5.219 1.00 0.00 C ATOM 427 OG1 THR A 28 7.326 -3.468 -6.267 1.00 0.00 O ATOM 428 CG2 THR A 28 8.113 -5.429 -5.172 1.00 0.00 C ATOM 0 H THR A 28 8.310 -1.508 -4.901 1.00 0.00 H new ATOM 0 HA THR A 28 6.638 -3.470 -3.776 1.00 0.00 H new ATOM 0 HB THR A 28 9.210 -3.611 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.716 -2.678 -6.696 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.461 -5.835 -6.122 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.751 -5.792 -4.366 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.086 -5.750 -4.995 1.00 0.00 H new ATOM 436 N GLN A 29 9.626 -3.406 -2.357 1.00 0.00 N ATOM 437 CA GLN A 29 10.297 -3.866 -1.145 1.00 0.00 C ATOM 438 C GLN A 29 9.614 -3.255 0.084 1.00 0.00 C ATOM 439 O GLN A 29 9.209 -3.998 0.986 1.00 0.00 O ATOM 440 CB GLN A 29 11.823 -3.655 -1.184 1.00 0.00 C ATOM 441 CG GLN A 29 12.326 -2.268 -1.593 1.00 0.00 C ATOM 442 CD GLN A 29 13.796 -2.071 -1.235 1.00 0.00 C ATOM 443 OE1 GLN A 29 14.146 -2.063 -0.059 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.672 -1.895 -2.207 1.00 0.00 N ATOM 0 H GLN A 29 10.181 -2.773 -2.933 1.00 0.00 H new ATOM 0 HA GLN A 29 10.189 -4.948 -1.076 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.221 -3.881 -0.195 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.248 -4.385 -1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.192 -2.135 -2.666 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.726 -1.503 -1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.364 -1.905 -3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.657 -1.749 -1.986 1.00 0.00 H new ATOM 453 N ALA A 30 9.371 -1.939 0.096 1.00 0.00 N ATOM 454 CA ALA A 30 8.715 -1.269 1.213 1.00 0.00 C ATOM 455 C ALA A 30 7.324 -1.848 1.485 1.00 0.00 C ATOM 456 O ALA A 30 6.916 -1.886 2.638 1.00 0.00 O ATOM 457 CB ALA A 30 8.631 0.240 0.964 1.00 0.00 C ATOM 0 H ALA A 30 9.625 -1.314 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 30 9.322 -1.444 2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.138 0.721 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.636 0.646 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.059 0.428 0.055 1.00 0.00 H new ATOM 463 N ALA A 31 6.602 -2.318 0.464 1.00 0.00 N ATOM 464 CA ALA A 31 5.264 -2.904 0.500 1.00 0.00 C ATOM 465 C ALA A 31 5.301 -4.370 0.933 1.00 0.00 C ATOM 466 O ALA A 31 4.532 -4.782 1.802 1.00 0.00 O ATOM 467 CB ALA A 31 4.646 -2.783 -0.898 1.00 0.00 C ATOM 0 H ALA A 31 6.971 -2.295 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 31 4.662 -2.367 1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.645 -3.215 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.585 -1.732 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.267 -3.316 -1.618 1.00 0.00 H new ATOM 473 N SER A 32 6.162 -5.208 0.358 1.00 0.00 N ATOM 474 CA SER A 32 6.295 -6.579 0.853 1.00 0.00 C ATOM 475 C SER A 32 6.626 -6.580 2.351 1.00 0.00 C ATOM 476 O SER A 32 6.123 -7.458 3.074 1.00 0.00 O ATOM 477 CB SER A 32 7.257 -7.381 -0.031 1.00 0.00 C ATOM 478 OG SER A 32 8.480 -6.716 -0.215 1.00 0.00 O ATOM 0 H SER A 32 6.764 -4.972 -0.431 1.00 0.00 H new ATOM 0 HA SER A 32 5.342 -7.102 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.439 -8.356 0.422 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.793 -7.562 -1.001 1.00 0.00 H new ATOM 0 HG SER A 32 8.365 -5.995 -0.869 1.00 0.00 H new ATOM 484 N GLN A 33 7.337 -5.544 2.815 1.00 0.00 N ATOM 485 CA GLN A 33 7.631 -5.290 4.211 1.00 0.00 C ATOM 486 C GLN A 33 6.532 -4.446 4.870 1.00 0.00 C ATOM 487 O GLN A 33 6.426 -4.485 6.094 1.00 0.00 O ATOM 488 CB GLN A 33 8.997 -4.591 4.350 1.00 0.00 C ATOM 489 CG GLN A 33 10.166 -5.583 4.275 1.00 0.00 C ATOM 490 CD GLN A 33 10.113 -6.557 5.455 1.00 0.00 C ATOM 491 OE1 GLN A 33 9.885 -6.160 6.591 1.00 0.00 O ATOM 492 NE2 GLN A 33 10.220 -7.853 5.217 1.00 0.00 N ATOM 0 H GLN A 33 7.734 -4.838 2.195 1.00 0.00 H new ATOM 0 HA GLN A 33 7.669 -6.250 4.725 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.104 -3.846 3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.035 -4.058 5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.123 -6.136 3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.112 -5.042 4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.410 -8.184 4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.113 -8.522 5.979 1.00 0.00 H new ATOM 501 N VAL A 34 5.674 -3.716 4.144 1.00 0.00 N ATOM 502 CA VAL A 34 4.633 -2.901 4.769 1.00 0.00 C ATOM 503 C VAL A 34 3.733 -3.836 5.538 1.00 0.00 C ATOM 504 O VAL A 34 3.421 -3.595 6.703 1.00 0.00 O ATOM 505 CB VAL A 34 3.813 -1.986 3.830 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.630 -2.540 3.024 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.229 -0.862 4.653 1.00 0.00 C ATOM 0 H VAL A 34 5.683 -3.676 3.125 1.00 0.00 H new ATOM 0 HA VAL A 34 5.142 -2.183 5.412 1.00 0.00 H new ATOM 0 HB VAL A 34 4.563 -1.736 3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.189 -1.740 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.980 -3.333 2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.880 -2.940 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.646 -0.204 4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.584 -1.276 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.035 -0.294 5.117 1.00 0.00 H new ATOM 517 N CYS A 35 3.395 -4.943 4.894 1.00 0.00 N ATOM 518 CA CYS A 35 2.610 -5.983 5.482 1.00 0.00 C ATOM 519 C CYS A 35 3.428 -6.660 6.567 1.00 0.00 C ATOM 520 O CYS A 35 2.872 -6.934 7.621 1.00 0.00 O ATOM 521 CB CYS A 35 2.248 -6.979 4.396 1.00 0.00 C ATOM 522 SG CYS A 35 1.432 -6.311 2.931 1.00 0.00 S ATOM 0 H CYS A 35 3.671 -5.134 3.931 1.00 0.00 H new ATOM 0 HA CYS A 35 1.699 -5.581 5.924 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.160 -7.484 4.078 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.599 -7.738 4.832 1.00 0.00 H new ATOM 527 N ASP A 36 4.681 -7.042 6.288 1.00 0.00 N ATOM 528 CA ASP A 36 5.506 -7.712 7.299 1.00 0.00 C ATOM 529 C ASP A 36 5.556 -6.924 8.642 1.00 0.00 C ATOM 530 O ASP A 36 5.147 -7.417 9.697 1.00 0.00 O ATOM 531 CB ASP A 36 6.877 -8.083 6.738 1.00 0.00 C ATOM 532 CG ASP A 36 7.439 -9.214 7.594 1.00 0.00 C ATOM 533 OD1 ASP A 36 7.812 -8.984 8.758 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.240 -10.371 7.153 1.00 0.00 O ATOM 0 H ASP A 36 5.139 -6.902 5.387 1.00 0.00 H new ATOM 0 HA ASP A 36 5.024 -8.656 7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.792 -8.397 5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.544 -7.221 6.757 1.00 0.00 H new ATOM 539 N LYS A 37 5.828 -5.614 8.569 1.00 0.00 N ATOM 540 CA LYS A 37 6.010 -4.655 9.675 1.00 0.00 C ATOM 541 C LYS A 37 4.625 -4.386 10.291 1.00 0.00 C ATOM 542 O LYS A 37 4.537 -4.142 11.494 1.00 0.00 O ATOM 543 CB LYS A 37 6.873 -3.432 9.220 1.00 0.00 C ATOM 544 CG LYS A 37 6.988 -2.176 10.142 1.00 0.00 C ATOM 545 CD LYS A 37 7.645 -0.943 9.439 1.00 0.00 C ATOM 546 CE LYS A 37 7.567 0.405 10.206 1.00 0.00 C ATOM 547 NZ LYS A 37 7.863 1.649 9.418 1.00 0.00 N ATOM 0 H LYS A 37 5.936 -5.158 7.663 1.00 0.00 H new ATOM 0 HA LYS A 37 6.613 -5.047 10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.884 -3.797 9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.480 -3.096 8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.993 -1.898 10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.573 -2.435 11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.695 -1.172 9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.172 -0.811 8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.566 0.499 10.627 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.262 0.360 11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.226 2.386 10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.576 1.438 8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.992 1.986 8.961 1.00 0.00 H new ATOM 561 N LEU A 38 3.546 -4.311 9.498 1.00 0.00 N ATOM 562 CA LEU A 38 2.185 -4.187 10.036 1.00 0.00 C ATOM 563 C LEU A 38 1.807 -5.557 10.630 1.00 0.00 C ATOM 564 O LEU A 38 1.221 -6.408 9.957 1.00 0.00 O ATOM 565 CB LEU A 38 1.145 -3.873 8.927 1.00 0.00 C ATOM 566 CG LEU A 38 1.026 -2.431 8.408 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.256 -2.420 7.084 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.301 -1.505 9.392 1.00 0.00 C ATOM 0 H LEU A 38 3.591 -4.334 8.479 1.00 0.00 H new ATOM 0 HA LEU A 38 2.173 -3.377 10.765 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.370 -4.513 8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.165 -4.171 9.300 1.00 0.00 H new ATOM 0 HG LEU A 38 2.043 -2.061 8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.174 -1.396 6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.787 -3.025 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.742 -2.831 7.240 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.246 -0.500 8.973 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.707 -1.880 9.569 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.848 -1.476 10.334 1.00 0.00 H new ATOM 580 N LYS A 39 2.044 -5.759 11.932 1.00 0.00 N ATOM 581 CA LYS A 39 1.584 -6.994 12.574 1.00 0.00 C ATOM 582 C LYS A 39 0.082 -6.828 12.826 1.00 0.00 C ATOM 583 O LYS A 39 -0.425 -5.706 12.807 1.00 0.00 O ATOM 584 CB LYS A 39 2.402 -7.350 13.832 1.00 0.00 C ATOM 585 CG LYS A 39 2.482 -6.285 14.944 1.00 0.00 C ATOM 586 CD LYS A 39 3.143 -6.894 16.197 1.00 0.00 C ATOM 587 CE LYS A 39 3.345 -5.898 17.352 1.00 0.00 C ATOM 588 NZ LYS A 39 4.569 -5.071 17.210 1.00 0.00 N ATOM 0 H LYS A 39 2.535 -5.107 12.544 1.00 0.00 H new ATOM 0 HA LYS A 39 1.747 -7.855 11.926 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.981 -8.258 14.263 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.418 -7.588 13.518 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.057 -5.426 14.598 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.483 -5.923 15.187 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.530 -7.723 16.550 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.111 -7.310 15.917 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.477 -5.242 17.412 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.394 -6.448 18.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.646 -4.422 18.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.405 -5.690 17.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.516 -4.521 16.329 1.00 0.00 H new ATOM 602 N ILE A 40 -0.630 -7.942 13.030 1.00 0.00 N ATOM 603 CA ILE A 40 -2.093 -8.041 13.149 1.00 0.00 C ATOM 604 C ILE A 40 -2.657 -7.872 11.732 1.00 0.00 C ATOM 605 O ILE A 40 -3.160 -8.830 11.149 1.00 0.00 O ATOM 606 CB ILE A 40 -2.733 -7.100 14.211 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.136 -7.387 15.609 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.267 -7.267 14.219 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.551 -6.375 16.683 1.00 0.00 C ATOM 0 H ILE A 40 -0.177 -8.851 13.122 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.362 -9.018 13.551 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.506 -6.066 13.950 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.442 -8.384 15.926 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.049 -7.396 15.534 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.701 -6.603 14.966 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.665 -7.017 13.236 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.519 -8.300 14.461 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.092 -6.645 17.634 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.221 -5.378 16.391 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.636 -6.381 16.789 1.00 0.00 H new ATOM 621 N LEU A 41 -2.433 -6.722 11.089 1.00 0.00 N ATOM 622 CA LEU A 41 -3.008 -6.384 9.784 1.00 0.00 C ATOM 623 C LEU A 41 -2.183 -6.983 8.623 1.00 0.00 C ATOM 624 O LEU A 41 -2.406 -6.693 7.445 1.00 0.00 O ATOM 625 CB LEU A 41 -3.146 -4.850 9.720 1.00 0.00 C ATOM 626 CG LEU A 41 -4.004 -4.298 8.565 1.00 0.00 C ATOM 627 CD1 LEU A 41 -5.375 -4.979 8.474 1.00 0.00 C ATOM 628 CD2 LEU A 41 -4.206 -2.792 8.774 1.00 0.00 C ATOM 0 H LEU A 41 -1.836 -5.987 11.468 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.996 -6.829 9.669 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.573 -4.504 10.661 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.148 -4.418 9.644 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.475 -4.500 7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.939 -4.553 7.644 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.240 -6.048 8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.922 -4.821 9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.812 -2.390 7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.713 -2.621 9.724 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.237 -2.293 8.785 1.00 0.00 H new ATOM 640 N ARG A 42 -1.307 -7.936 8.957 1.00 0.00 N ATOM 641 CA ARG A 42 -0.416 -8.682 8.078 1.00 0.00 C ATOM 642 C ARG A 42 -1.260 -9.402 7.029 1.00 0.00 C ATOM 643 O ARG A 42 -0.949 -9.321 5.841 1.00 0.00 O ATOM 644 CB ARG A 42 0.352 -9.678 8.986 1.00 0.00 C ATOM 645 CG ARG A 42 1.201 -10.771 8.307 1.00 0.00 C ATOM 646 CD ARG A 42 2.593 -10.314 7.862 1.00 0.00 C ATOM 647 NE ARG A 42 3.522 -10.101 8.994 1.00 0.00 N ATOM 648 CZ ARG A 42 4.756 -10.623 9.124 1.00 0.00 C ATOM 649 NH1 ARG A 42 5.160 -11.649 8.384 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.617 -10.063 9.956 1.00 0.00 N ATOM 0 H ARG A 42 -1.198 -8.225 9.929 1.00 0.00 H new ATOM 0 HA ARG A 42 0.292 -8.045 7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.010 -9.099 9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.376 -10.172 9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.311 -11.608 8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.660 -11.144 7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.016 -11.059 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.501 -9.387 7.296 1.00 0.00 H new ATOM 0 HE ARG A 42 3.195 -9.499 9.750 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.530 -12.061 7.696 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.101 -12.025 8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.345 -9.241 10.495 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.554 -10.453 10.060 1.00 0.00 H new ATOM 664 N GLY A 43 -2.322 -10.089 7.464 1.00 0.00 N ATOM 665 CA GLY A 43 -3.157 -10.926 6.617 1.00 0.00 C ATOM 666 C GLY A 43 -3.770 -10.149 5.457 1.00 0.00 C ATOM 667 O GLY A 43 -3.550 -10.508 4.297 1.00 0.00 O ATOM 0 H GLY A 43 -2.626 -10.073 8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.561 -11.750 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.953 -11.366 7.217 1.00 0.00 H new ATOM 671 N LEU A 44 -4.546 -9.098 5.759 1.00 0.00 N ATOM 672 CA LEU A 44 -5.267 -8.345 4.735 1.00 0.00 C ATOM 673 C LEU A 44 -4.271 -7.736 3.755 1.00 0.00 C ATOM 674 O LEU A 44 -4.439 -7.887 2.550 1.00 0.00 O ATOM 675 CB LEU A 44 -6.173 -7.271 5.365 1.00 0.00 C ATOM 676 CG LEU A 44 -6.976 -6.456 4.325 1.00 0.00 C ATOM 677 CD1 LEU A 44 -7.903 -7.330 3.468 1.00 0.00 C ATOM 678 CD2 LEU A 44 -7.822 -5.394 5.033 1.00 0.00 C ATOM 0 H LEU A 44 -4.687 -8.753 6.708 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.920 -9.025 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.868 -7.751 6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.560 -6.589 5.954 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.245 -5.993 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.440 -6.702 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.310 -8.067 2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.618 -7.842 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.384 -4.824 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.515 -5.879 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.170 -4.721 5.590 1.00 0.00 H new ATOM 690 N CYS A 45 -3.216 -7.103 4.271 1.00 0.00 N ATOM 691 CA CYS A 45 -2.154 -6.516 3.485 1.00 0.00 C ATOM 692 C CYS A 45 -1.567 -7.499 2.459 1.00 0.00 C ATOM 693 O CYS A 45 -1.638 -7.215 1.262 1.00 0.00 O ATOM 694 CB CYS A 45 -1.132 -5.936 4.460 1.00 0.00 C ATOM 695 SG CYS A 45 0.144 -4.938 3.682 1.00 0.00 S ATOM 0 H CYS A 45 -3.083 -6.987 5.276 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.538 -5.709 2.861 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.655 -5.327 5.197 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.658 -6.755 5.001 1.00 0.00 H new ATOM 700 N LYS A 46 -1.014 -8.655 2.876 1.00 0.00 N ATOM 701 CA LYS A 46 -0.420 -9.589 1.900 1.00 0.00 C ATOM 702 C LYS A 46 -1.494 -10.048 0.894 1.00 0.00 C ATOM 703 O LYS A 46 -1.188 -10.186 -0.289 1.00 0.00 O ATOM 704 CB LYS A 46 0.292 -10.815 2.528 1.00 0.00 C ATOM 705 CG LYS A 46 1.383 -10.604 3.605 1.00 0.00 C ATOM 706 CD LYS A 46 2.725 -9.925 3.248 1.00 0.00 C ATOM 707 CE LYS A 46 3.859 -10.796 2.676 1.00 0.00 C ATOM 708 NZ LYS A 46 5.211 -10.206 2.923 1.00 0.00 N ATOM 0 H LYS A 46 -0.966 -8.958 3.849 1.00 0.00 H new ATOM 0 HA LYS A 46 0.366 -9.030 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.479 -11.449 2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.745 -11.380 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.932 -10.021 4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.620 -11.585 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.516 -9.136 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.101 -9.440 4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.812 -11.789 3.123 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.711 -10.922 1.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.865 -10.512 2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.143 -9.168 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.567 -10.527 3.846 1.00 0.00 H new ATOM 722 N LYS A 47 -2.739 -10.296 1.331 1.00 0.00 N ATOM 723 CA LYS A 47 -3.836 -10.697 0.440 1.00 0.00 C ATOM 724 C LYS A 47 -4.116 -9.636 -0.621 1.00 0.00 C ATOM 725 O LYS A 47 -4.201 -10.008 -1.791 1.00 0.00 O ATOM 726 CB LYS A 47 -5.084 -11.069 1.252 1.00 0.00 C ATOM 727 CG LYS A 47 -6.146 -11.765 0.383 1.00 0.00 C ATOM 728 CD LYS A 47 -5.859 -13.236 0.018 1.00 0.00 C ATOM 729 CE LYS A 47 -6.193 -14.234 1.143 1.00 0.00 C ATOM 730 NZ LYS A 47 -7.650 -14.480 1.292 1.00 0.00 N ATOM 0 H LYS A 47 -3.012 -10.224 2.311 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.528 -11.591 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.800 -11.726 2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.510 -10.169 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.101 -11.720 0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.261 -11.197 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.434 -13.499 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.805 -13.337 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.690 -15.180 0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.797 -13.856 2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.810 -15.159 2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.132 -13.585 1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.029 -14.868 0.405 1.00 0.00 H new ATOM 744 N ILE A 48 -4.252 -8.361 -0.245 1.00 0.00 N ATOM 745 CA ILE A 48 -4.422 -7.265 -1.194 1.00 0.00 C ATOM 746 C ILE A 48 -3.251 -7.331 -2.170 1.00 0.00 C ATOM 747 O ILE A 48 -3.464 -7.508 -3.363 1.00 0.00 O ATOM 748 CB ILE A 48 -4.558 -5.895 -0.473 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.929 -5.816 0.242 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.414 -4.712 -1.455 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.104 -4.581 1.138 1.00 0.00 C ATOM 0 H ILE A 48 -4.247 -8.062 0.730 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.354 -7.367 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.752 -5.821 0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.718 -5.820 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.062 -6.712 0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.515 -3.773 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.434 -4.752 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.191 -4.775 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.091 -4.604 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.339 -4.584 1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.006 -3.678 0.536 1.00 0.00 H new ATOM 763 N MET A 49 -2.016 -7.259 -1.680 1.00 0.00 N ATOM 764 CA MET A 49 -0.833 -7.188 -2.531 1.00 0.00 C ATOM 765 C MET A 49 -0.685 -8.392 -3.465 1.00 0.00 C ATOM 766 O MET A 49 -0.086 -8.228 -4.518 1.00 0.00 O ATOM 767 CB MET A 49 0.398 -6.940 -1.659 1.00 0.00 C ATOM 768 CG MET A 49 0.269 -5.523 -1.098 1.00 0.00 C ATOM 769 SD MET A 49 1.685 -4.935 -0.170 1.00 0.00 S ATOM 770 CE MET A 49 1.123 -3.224 0.003 1.00 0.00 C ATOM 0 H MET A 49 -1.808 -7.248 -0.681 1.00 0.00 H new ATOM 0 HA MET A 49 -0.947 -6.345 -3.212 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.453 -7.671 -0.852 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.312 -7.042 -2.244 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.088 -4.837 -1.926 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.609 -5.484 -0.453 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.957 -2.597 0.317 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.741 -2.868 -0.954 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.331 -3.175 0.750 1.00 0.00 H new ATOM 780 N ARG A 50 -1.252 -9.572 -3.181 1.00 0.00 N ATOM 781 CA ARG A 50 -1.211 -10.665 -4.160 1.00 0.00 C ATOM 782 C ARG A 50 -1.964 -10.254 -5.423 1.00 0.00 C ATOM 783 O ARG A 50 -1.436 -10.411 -6.518 1.00 0.00 O ATOM 784 CB ARG A 50 -1.782 -11.966 -3.574 1.00 0.00 C ATOM 785 CG ARG A 50 -1.796 -13.158 -4.560 1.00 0.00 C ATOM 786 CD ARG A 50 -0.445 -13.452 -5.237 1.00 0.00 C ATOM 787 NE ARG A 50 -0.510 -14.646 -6.106 1.00 0.00 N ATOM 788 CZ ARG A 50 0.334 -14.955 -7.105 1.00 0.00 C ATOM 789 NH1 ARG A 50 1.339 -14.140 -7.425 1.00 0.00 N ATOM 790 NH2 ARG A 50 0.171 -16.090 -7.784 1.00 0.00 N ATOM 0 H ARG A 50 -1.731 -9.791 -2.308 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.170 -10.860 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.197 -12.243 -2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.800 -11.780 -3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.120 -14.050 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.539 -12.963 -5.333 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.141 -12.589 -5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.319 -13.600 -4.473 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.272 -15.301 -5.930 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.474 -13.270 -6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.973 -14.386 -8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.593 -16.722 -7.545 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.810 -16.327 -8.543 1.00 0.00 H new ATOM 804 N SER A 51 -3.202 -9.790 -5.264 1.00 0.00 N ATOM 805 CA SER A 51 -4.057 -9.418 -6.399 1.00 0.00 C ATOM 806 C SER A 51 -3.814 -7.969 -6.884 1.00 0.00 C ATOM 807 O SER A 51 -4.213 -7.590 -7.990 1.00 0.00 O ATOM 808 CB SER A 51 -5.520 -9.674 -6.004 1.00 0.00 C ATOM 809 OG SER A 51 -6.349 -9.796 -7.140 1.00 0.00 O ATOM 0 H SER A 51 -3.642 -9.660 -4.353 1.00 0.00 H new ATOM 0 HA SER A 51 -3.802 -10.038 -7.258 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.583 -10.584 -5.407 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.877 -8.857 -5.378 1.00 0.00 H new ATOM 0 HG SER A 51 -7.272 -9.960 -6.855 1.00 0.00 H new ATOM 815 N PHE A 52 -3.131 -7.139 -6.091 1.00 0.00 N ATOM 816 CA PHE A 52 -2.938 -5.720 -6.363 1.00 0.00 C ATOM 817 C PHE A 52 -1.469 -5.322 -6.194 1.00 0.00 C ATOM 818 O PHE A 52 -1.207 -4.204 -5.773 1.00 0.00 O ATOM 819 CB PHE A 52 -3.870 -4.887 -5.436 1.00 0.00 C ATOM 820 CG PHE A 52 -5.376 -5.062 -5.598 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.039 -6.174 -5.044 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.143 -4.067 -6.236 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.430 -6.326 -5.180 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.532 -4.228 -6.396 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.177 -5.358 -5.870 1.00 0.00 C ATOM 0 H PHE A 52 -2.689 -7.446 -5.224 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.203 -5.513 -7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.615 -5.125 -4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.637 -3.833 -5.587 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.471 -6.920 -4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.661 -3.174 -6.605 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.924 -7.187 -4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.103 -3.480 -6.925 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.242 -5.482 -5.995 1.00 0.00 H new ATOM 835 N LEU A 53 -0.502 -6.158 -6.597 1.00 0.00 N ATOM 836 CA LEU A 53 0.919 -5.885 -6.343 1.00 0.00 C ATOM 837 C LEU A 53 1.333 -4.573 -7.027 1.00 0.00 C ATOM 838 O LEU A 53 1.521 -3.546 -6.375 1.00 0.00 O ATOM 839 CB LEU A 53 1.802 -7.076 -6.789 1.00 0.00 C ATOM 840 CG LEU A 53 3.203 -7.150 -6.130 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.836 -5.804 -5.759 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.152 -8.000 -4.854 1.00 0.00 C ATOM 0 H LEU A 53 -0.678 -7.028 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 53 1.070 -5.765 -5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.269 -8.002 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.930 -7.026 -7.870 1.00 0.00 H new ATOM 0 HG LEU A 53 3.829 -7.594 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.813 -5.974 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.953 -5.197 -6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.193 -5.283 -5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.144 -8.041 -4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.452 -7.554 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.824 -9.009 -5.102 1.00 0.00 H new ATOM 854 N ARG A 54 1.402 -4.581 -8.363 1.00 0.00 N ATOM 855 CA ARG A 54 1.784 -3.394 -9.131 1.00 0.00 C ATOM 856 C ARG A 54 0.719 -2.307 -9.008 1.00 0.00 C ATOM 857 O ARG A 54 1.005 -1.141 -9.258 1.00 0.00 O ATOM 858 CB ARG A 54 2.100 -3.774 -10.591 1.00 0.00 C ATOM 859 CG ARG A 54 2.530 -2.571 -11.454 1.00 0.00 C ATOM 860 CD ARG A 54 3.309 -3.002 -12.711 1.00 0.00 C ATOM 861 NE ARG A 54 3.400 -1.936 -13.734 1.00 0.00 N ATOM 862 CZ ARG A 54 4.053 -0.768 -13.626 1.00 0.00 C ATOM 863 NH1 ARG A 54 4.703 -0.450 -12.519 1.00 0.00 N ATOM 864 NH2 ARG A 54 4.041 0.096 -14.639 1.00 0.00 N ATOM 0 H ARG A 54 1.197 -5.400 -8.935 1.00 0.00 H new ATOM 0 HA ARG A 54 2.700 -2.974 -8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.893 -4.522 -10.601 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.220 -4.237 -11.038 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.647 -2.007 -11.753 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.149 -1.901 -10.857 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.315 -3.305 -12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.826 -3.876 -13.148 1.00 0.00 H new ATOM 0 HE ARG A 54 2.915 -2.107 -14.615 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.713 -1.097 -11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.194 0.442 -12.454 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.536 -0.130 -15.496 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.537 0.984 -14.558 1.00 0.00 H new ATOM 878 N ARG A 55 -0.510 -2.656 -8.612 1.00 0.00 N ATOM 879 CA ARG A 55 -1.534 -1.677 -8.345 1.00 0.00 C ATOM 880 C ARG A 55 -1.121 -0.787 -7.175 1.00 0.00 C ATOM 881 O ARG A 55 -1.057 0.426 -7.345 1.00 0.00 O ATOM 882 CB ARG A 55 -2.896 -2.333 -8.166 1.00 0.00 C ATOM 883 CG ARG A 55 -3.562 -2.639 -9.518 1.00 0.00 C ATOM 884 CD ARG A 55 -4.438 -3.880 -9.401 1.00 0.00 C ATOM 885 NE ARG A 55 -5.277 -4.116 -10.585 1.00 0.00 N ATOM 886 CZ ARG A 55 -5.931 -5.253 -10.872 1.00 0.00 C ATOM 887 NH1 ARG A 55 -5.786 -6.354 -10.129 1.00 0.00 N ATOM 888 NH2 ARG A 55 -6.744 -5.281 -11.927 1.00 0.00 N ATOM 0 H ARG A 55 -0.808 -3.622 -8.472 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.641 -1.024 -9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.783 -3.257 -7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.542 -1.677 -7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.164 -1.788 -9.836 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.799 -2.793 -10.281 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.802 -4.750 -9.236 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.079 -3.782 -8.525 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.371 -3.347 -11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.165 -6.345 -9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.296 -7.204 -10.371 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.862 -4.447 -12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.249 -6.136 -12.159 1.00 0.00 H new ATOM 902 N ILE A 56 -0.801 -1.358 -6.011 1.00 0.00 N ATOM 903 CA ILE A 56 -0.385 -0.534 -4.878 1.00 0.00 C ATOM 904 C ILE A 56 0.891 0.249 -5.235 1.00 0.00 C ATOM 905 O ILE A 56 1.058 1.366 -4.744 1.00 0.00 O ATOM 906 CB ILE A 56 -0.303 -1.343 -3.563 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.607 -2.109 -3.215 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.031 -0.390 -2.402 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.927 -1.444 -3.637 1.00 0.00 C ATOM 0 H ILE A 56 -0.821 -2.362 -5.832 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.155 0.211 -4.676 1.00 0.00 H new ATOM 0 HB ILE A 56 0.476 -2.091 -3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.558 -3.094 -3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.633 -2.265 -2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.090 -0.956 -1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.988 0.095 -2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.748 0.367 -2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.764 -2.075 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.015 -0.471 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.939 -1.313 -4.719 1.00 0.00 H new ATOM 921 N SER A 57 1.706 -0.253 -6.172 1.00 0.00 N ATOM 922 CA SER A 57 2.864 0.485 -6.636 1.00 0.00 C ATOM 923 C SER A 57 2.393 1.712 -7.419 1.00 0.00 C ATOM 924 O SER A 57 2.682 2.817 -6.977 1.00 0.00 O ATOM 925 CB SER A 57 3.804 -0.414 -7.440 1.00 0.00 C ATOM 926 OG SER A 57 5.062 0.204 -7.502 1.00 0.00 O ATOM 0 H SER A 57 1.577 -1.163 -6.615 1.00 0.00 H new ATOM 0 HA SER A 57 3.448 0.835 -5.785 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.886 -1.394 -6.970 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.410 -0.574 -8.444 1.00 0.00 H new ATOM 0 HG SER A 57 5.323 0.321 -8.439 1.00 0.00 H new ATOM 932 N TRP A 58 1.595 1.575 -8.491 1.00 0.00 N ATOM 933 CA TRP A 58 1.000 2.707 -9.218 1.00 0.00 C ATOM 934 C TRP A 58 0.391 3.715 -8.247 1.00 0.00 C ATOM 935 O TRP A 58 0.599 4.918 -8.397 1.00 0.00 O ATOM 936 CB TRP A 58 -0.033 2.245 -10.268 1.00 0.00 C ATOM 937 CG TRP A 58 -1.323 3.028 -10.377 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.478 4.308 -10.796 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.666 2.585 -10.032 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.815 4.661 -10.764 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.601 3.616 -10.328 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.185 1.410 -9.468 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.979 3.457 -10.109 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.550 1.229 -9.249 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.452 2.251 -9.558 1.00 0.00 C ATOM 0 H TRP A 58 1.343 0.667 -8.880 1.00 0.00 H new ATOM 0 HA TRP A 58 1.804 3.202 -9.763 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.452 2.259 -11.244 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.288 1.207 -10.054 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.674 4.958 -11.109 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.174 5.578 -11.029 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.504 0.618 -9.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.667 4.250 -10.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.911 0.297 -8.840 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.508 2.116 -9.375 1.00 0.00 H new ATOM 956 N ASP A 59 -0.407 3.235 -7.294 1.00 0.00 N ATOM 957 CA ASP A 59 -1.065 4.056 -6.295 1.00 0.00 C ATOM 958 C ASP A 59 -0.074 4.987 -5.594 1.00 0.00 C ATOM 959 O ASP A 59 -0.277 6.202 -5.626 1.00 0.00 O ATOM 960 CB ASP A 59 -1.901 3.178 -5.348 1.00 0.00 C ATOM 961 CG ASP A 59 -3.231 2.779 -5.988 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.650 1.615 -5.819 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.945 3.696 -6.699 1.00 0.00 O ATOM 0 H ASP A 59 -0.615 2.241 -7.198 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.773 4.726 -6.784 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.337 2.282 -5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.089 3.718 -4.420 1.00 0.00 H new ATOM 969 N ILE A 60 0.966 4.443 -4.962 1.00 0.00 N ATOM 970 CA ILE A 60 2.056 5.213 -4.365 1.00 0.00 C ATOM 971 C ILE A 60 2.836 6.050 -5.393 1.00 0.00 C ATOM 972 O ILE A 60 3.115 7.211 -5.117 1.00 0.00 O ATOM 973 CB ILE A 60 2.925 4.282 -3.489 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.343 4.039 -2.078 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.361 4.769 -3.287 1.00 0.00 C ATOM 976 CD1 ILE A 60 0.868 3.662 -1.956 1.00 0.00 C ATOM 0 H ILE A 60 1.076 3.435 -4.849 1.00 0.00 H new ATOM 0 HA ILE A 60 1.636 5.971 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 60 2.925 3.358 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.928 3.248 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.504 4.944 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.901 4.059 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.857 4.851 -4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.349 5.745 -2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.613 3.526 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.253 4.457 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.684 2.734 -2.497 1.00 0.00 H new ATOM 988 N LEU A 61 3.203 5.501 -6.556 1.00 0.00 N ATOM 989 CA LEU A 61 4.012 6.178 -7.577 1.00 0.00 C ATOM 990 C LEU A 61 3.312 7.435 -8.096 1.00 0.00 C ATOM 991 O LEU A 61 3.961 8.444 -8.340 1.00 0.00 O ATOM 992 CB LEU A 61 4.305 5.244 -8.767 1.00 0.00 C ATOM 993 CG LEU A 61 5.267 4.075 -8.476 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.189 3.063 -9.624 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.727 4.506 -8.329 1.00 0.00 C ATOM 0 H LEU A 61 2.940 4.552 -6.820 1.00 0.00 H new ATOM 0 HA LEU A 61 4.951 6.459 -7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.361 4.833 -9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.721 5.840 -9.579 1.00 0.00 H new ATOM 0 HG LEU A 61 4.951 3.646 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.867 2.233 -9.424 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.170 2.686 -9.708 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.475 3.549 -10.557 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.346 3.632 -8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.061 4.980 -9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.816 5.214 -7.505 1.00 0.00 H new ATOM 1007 N THR A 62 1.986 7.399 -8.247 1.00 0.00 N ATOM 1008 CA THR A 62 1.186 8.568 -8.619 1.00 0.00 C ATOM 1009 C THR A 62 0.933 9.489 -7.412 1.00 0.00 C ATOM 1010 O THR A 62 0.094 10.383 -7.498 1.00 0.00 O ATOM 1011 CB THR A 62 -0.116 8.135 -9.337 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.861 7.119 -8.667 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.203 7.614 -10.742 1.00 0.00 C ATOM 0 H THR A 62 1.434 6.552 -8.114 1.00 0.00 H new ATOM 0 HA THR A 62 1.756 9.163 -9.332 1.00 0.00 H new ATOM 0 HB THR A 62 -0.730 9.035 -9.356 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.423 6.252 -8.798 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.720 7.313 -11.237 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.685 8.402 -11.321 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.872 6.757 -10.669 1.00 0.00 H new ATOM 1021 N GLY A 63 1.622 9.254 -6.285 1.00 0.00 N ATOM 1022 CA GLY A 63 1.469 9.898 -4.988 1.00 0.00 C ATOM 1023 C GLY A 63 -0.001 10.129 -4.696 1.00 0.00 C ATOM 1024 O GLY A 63 -0.364 11.151 -4.104 1.00 0.00 O ATOM 0 H GLY A 63 2.359 8.549 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.910 9.276 -4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.004 10.848 -4.978 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.834 9.099 -4.883 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.266 9.302 -4.767 1.00 0.00 C ATOM 1030 C LYS A 64 -2.596 9.099 -3.302 1.00 0.00 C ATOM 1031 O LYS A 64 -1.952 8.338 -2.583 1.00 0.00 O ATOM 1032 CB LYS A 64 -2.928 8.310 -5.749 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.416 8.553 -6.055 1.00 0.00 C ATOM 1034 CD LYS A 64 -4.755 8.401 -7.556 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.823 6.975 -8.138 1.00 0.00 C ATOM 1036 NZ LYS A 64 -3.577 6.192 -8.037 1.00 0.00 N ATOM 0 H LYS A 64 -0.545 8.147 -5.108 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.634 10.291 -5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.376 8.337 -6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.821 7.304 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.019 7.852 -5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.690 9.555 -5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.718 8.881 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.012 8.960 -8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.617 6.430 -7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.106 7.042 -9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.513 5.535 -8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.760 6.836 -8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.577 5.652 -7.148 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.535 9.901 -2.811 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.844 9.894 -1.383 1.00 0.00 C ATOM 1052 C LYS A 65 -4.580 8.614 -0.992 1.00 0.00 C ATOM 1053 O LYS A 65 -5.297 8.060 -1.819 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.506 11.226 -0.980 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.543 12.422 -0.728 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.103 12.398 -1.295 1.00 0.00 C ATOM 1057 CE LYS A 65 -1.117 11.633 -0.386 1.00 0.00 C ATOM 1058 NZ LYS A 65 0.102 11.163 -1.080 1.00 0.00 N ATOM 0 H LYS A 65 -4.087 10.553 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.934 9.854 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.208 11.511 -1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.089 11.059 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.029 13.316 -1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.463 12.550 0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.113 11.936 -2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.751 13.421 -1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.825 12.280 0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.630 10.774 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.454 10.301 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.123 10.956 -2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.833 11.902 -1.037 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.563 8.214 0.289 1.00 0.00 N ATOM 1073 CA PRO A 66 -5.121 6.948 0.744 1.00 0.00 C ATOM 1074 C PRO A 66 -6.629 6.871 0.556 1.00 0.00 C ATOM 1075 O PRO A 66 -7.124 5.880 0.030 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.712 6.812 2.213 1.00 0.00 C ATOM 1077 CG PRO A 66 -4.436 8.254 2.641 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.841 8.847 1.372 1.00 0.00 C ATOM 0 HA PRO A 66 -4.734 6.120 0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.504 6.361 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.829 6.183 2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.346 8.771 2.946 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.743 8.306 3.481 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.963 9.930 1.348 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.772 8.645 1.305 1.00 0.00 H new ATOM 1086 N GLN A 67 -7.365 7.899 0.990 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.816 7.919 0.860 1.00 0.00 C ATOM 1088 C GLN A 67 -9.252 7.849 -0.607 1.00 0.00 C ATOM 1089 O GLN A 67 -10.328 7.320 -0.886 1.00 0.00 O ATOM 1090 CB GLN A 67 -9.374 9.160 1.580 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.907 9.183 1.666 1.00 0.00 C ATOM 1092 CD GLN A 67 -11.457 7.918 2.322 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -11.350 7.730 3.527 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.987 6.998 1.534 1.00 0.00 N ATOM 0 H GLN A 67 -6.973 8.729 1.435 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.231 7.031 1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.961 9.201 2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.034 10.055 1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.226 10.056 2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.326 9.285 0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.069 7.170 0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.314 6.116 1.928 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.411 8.327 -1.532 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.670 8.195 -2.951 1.00 0.00 C ATOM 1105 C ALA A 68 -8.308 6.773 -3.360 1.00 0.00 C ATOM 1106 O ALA A 68 -9.166 6.125 -3.934 1.00 0.00 O ATOM 1107 CB ALA A 68 -7.877 9.235 -3.753 1.00 0.00 C ATOM 0 H ALA A 68 -7.541 8.811 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.723 8.381 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.089 9.114 -4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.167 10.237 -3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.811 9.094 -3.578 1.00 0.00 H new ATOM 1113 N ILE A 69 -7.116 6.259 -3.012 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.673 4.904 -3.367 1.00 0.00 C ATOM 1115 C ILE A 69 -7.750 3.867 -3.020 1.00 0.00 C ATOM 1116 O ILE A 69 -8.076 3.003 -3.827 1.00 0.00 O ATOM 1117 CB ILE A 69 -5.297 4.568 -2.748 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -4.205 5.405 -3.447 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.984 3.064 -2.910 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.879 5.447 -2.681 1.00 0.00 C ATOM 0 H ILE A 69 -6.427 6.780 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.532 4.868 -4.447 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.319 4.805 -1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.027 4.997 -4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.570 6.423 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.012 2.845 -2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.752 2.476 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.968 2.808 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.160 6.053 -3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.042 5.883 -1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.491 4.435 -2.570 1.00 0.00 H new ATOM 1132 N CYS A 70 -8.295 3.905 -1.808 1.00 0.00 N ATOM 1133 CA CYS A 70 -9.300 2.927 -1.426 1.00 0.00 C ATOM 1134 C CYS A 70 -10.543 2.995 -2.318 1.00 0.00 C ATOM 1135 O CYS A 70 -11.098 1.943 -2.599 1.00 0.00 O ATOM 1136 CB CYS A 70 -9.606 3.073 0.065 1.00 0.00 C ATOM 1137 SG CYS A 70 -8.109 2.973 1.086 1.00 0.00 S ATOM 0 H CYS A 70 -8.062 4.589 -1.088 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.905 1.924 -1.586 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.100 4.029 0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.304 2.293 0.369 1.00 0.00 H new ATOM 1142 N VAL A 71 -11.021 4.170 -2.730 1.00 0.00 N ATOM 1143 CA VAL A 71 -12.132 4.264 -3.684 1.00 0.00 C ATOM 1144 C VAL A 71 -11.695 3.843 -5.105 1.00 0.00 C ATOM 1145 O VAL A 71 -12.383 3.064 -5.753 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.805 5.648 -3.561 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.976 5.812 -4.539 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -13.383 5.847 -2.140 1.00 0.00 C ATOM 0 H VAL A 71 -10.658 5.071 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.911 3.542 -3.439 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.029 6.380 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.418 6.801 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.614 5.701 -5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.729 5.050 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.853 6.828 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.125 5.074 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.579 5.779 -1.407 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.523 4.295 -5.547 1.00 0.00 N ATOM 1159 CA ASP A 72 -9.813 4.054 -6.813 1.00 0.00 C ATOM 1160 C ASP A 72 -9.707 2.577 -7.210 1.00 0.00 C ATOM 1161 O ASP A 72 -10.093 2.223 -8.321 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.459 4.755 -6.634 1.00 0.00 C ATOM 1163 CG ASP A 72 -7.341 4.499 -7.632 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -7.235 5.245 -8.627 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -6.420 3.737 -7.247 1.00 0.00 O ATOM 0 H ASP A 72 -9.976 4.919 -4.954 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.366 4.459 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.647 5.829 -6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.082 4.488 -5.647 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.229 1.693 -6.327 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.212 0.231 -6.571 1.00 0.00 C ATOM 1172 C ILE A 73 -10.462 -0.509 -6.075 1.00 0.00 C ATOM 1173 O ILE A 73 -10.582 -1.726 -6.219 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.891 -0.416 -6.152 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.362 0.203 -4.857 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.881 -0.291 -7.300 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.148 -0.541 -4.367 1.00 0.00 C ATOM 0 H ILE A 73 -8.842 1.962 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.266 0.116 -7.654 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.054 -1.474 -5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.109 1.250 -5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.140 0.182 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.937 -0.751 -7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.271 -0.796 -8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.716 0.762 -7.527 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.789 -0.084 -3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.411 -1.582 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.364 -0.497 -5.123 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.372 0.259 -5.497 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.719 -0.034 -5.033 1.00 0.00 C ATOM 1191 C LYS A 74 -12.741 -0.973 -3.823 1.00 0.00 C ATOM 1192 O LYS A 74 -13.045 -2.164 -3.918 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.520 -0.526 -6.255 1.00 0.00 C ATOM 1194 CG LYS A 74 -15.012 -0.446 -5.966 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.923 -1.661 -6.139 1.00 0.00 C ATOM 1196 CE LYS A 74 -16.092 -2.471 -4.840 1.00 0.00 C ATOM 1197 NZ LYS A 74 -16.684 -1.686 -3.723 1.00 0.00 N ATOM 0 H LYS A 74 -11.150 1.238 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.200 0.861 -4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.277 0.081 -7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.242 -1.553 -6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.118 -0.115 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.415 0.346 -6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.902 -1.329 -6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.514 -2.308 -6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.724 -3.336 -5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.119 -2.852 -4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.110 -2.335 -3.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.940 -1.125 -3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.416 -1.049 -4.096 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.443 -0.408 -2.657 1.00 0.00 N ATOM 1212 CA ILE A 75 -12.261 -1.076 -1.374 1.00 0.00 C ATOM 1213 C ILE A 75 -12.956 -0.320 -0.222 1.00 0.00 C ATOM 1214 O ILE A 75 -13.219 -0.922 0.822 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.723 -1.168 -1.147 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -10.036 -2.014 -2.252 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -10.334 -1.714 0.238 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.527 -2.211 -2.077 1.00 0.00 C ATOM 0 H ILE A 75 -12.313 0.601 -2.579 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.720 -2.065 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.366 -0.140 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.513 -2.994 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.215 -1.538 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.248 -1.749 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.738 -1.062 1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.740 -2.718 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.141 -2.814 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.031 -1.240 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.334 -2.719 -1.132 1.00 0.00 H new