USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 493 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 123 HIS : no HD1:sc= 0 X(o=-0.022,f=0.18) USER MOD Set 1.2: A 127 LYS NZ :NH3+ 163:sc= -0.0222 (180deg=-0.157) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 0.114 USER MOD Set 2.2: A 65 GLN : amide:sc= -1.42! K(o=-1.3!,f=0.087) USER MOD Single : A 66 MET CE :methyl 133:sc= -0.666 (180deg=-1.93!) USER MOD Single : A 68 LYS NZ :NH3+ -107:sc= 0.269 (180deg=0) USER MOD Single : A 70 MET CE :methyl 159:sc= -0.648 (180deg=-1.31) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -77:sc= 0.124 USER MOD Single : A 92 TYR OH : rot -142:sc= 0.185 USER MOD Single : A 95 SER OG : rot -28:sc= 0.681 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 156:sc= -0.0402 (180deg=-0.404) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 89:sc= 0.32! USER MOD Single : A 107 ASN : amide:sc= 0.387 K(o=0.39,f=-0.54) USER MOD Single : A 108 THR OG1 : rot -66:sc= 1.06 USER MOD Single : A 109 SER OG : rot 180:sc= -0.545! USER MOD Single : A 110 CYS SG : rot -47:sc= -0.267 USER MOD Single : A 118 CYS SG : rot -160:sc= 0.0235 USER MOD Single : A 129 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 130 HIS : no HE2:sc= -1.51 K(o=-1.5,f=-3.1!) USER MOD Single : A 133 LYS NZ :NH3+ -147:sc= -6.24! (180deg=-7.59!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -11.841 -1.619 -5.363 1.00 0.00 N ATOM 79 CA THR A 62 -12.206 -2.578 -4.324 1.00 0.00 C ATOM 80 C THR A 62 -11.000 -2.877 -3.434 1.00 0.00 C ATOM 81 O THR A 62 -9.862 -2.861 -3.901 1.00 0.00 O ATOM 82 CB THR A 62 -12.703 -3.877 -4.968 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.592 -4.716 -5.252 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.444 -3.553 -6.266 1.00 0.00 C ATOM 0 HA THR A 62 -13.000 -2.149 -3.713 1.00 0.00 H new ATOM 0 HB THR A 62 -13.380 -4.388 -4.283 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.907 -5.548 -5.663 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.797 -4.477 -6.724 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.295 -2.908 -6.048 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.769 -3.043 -6.953 1.00 0.00 H new ATOM 92 N PRO A 63 -11.222 -3.144 -2.168 1.00 0.00 N ATOM 93 CA PRO A 63 -10.118 -3.443 -1.206 1.00 0.00 C ATOM 94 C PRO A 63 -9.347 -4.704 -1.592 1.00 0.00 C ATOM 95 O PRO A 63 -8.127 -4.768 -1.440 1.00 0.00 O ATOM 96 CB PRO A 63 -10.834 -3.619 0.143 1.00 0.00 C ATOM 97 CG PRO A 63 -12.262 -3.898 -0.192 1.00 0.00 C ATOM 98 CD PRO A 63 -12.541 -3.196 -1.518 1.00 0.00 C ATOM 0 HA PRO A 63 -9.369 -2.651 -1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.398 -4.439 0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.743 -2.721 0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.438 -4.970 -0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.924 -3.527 0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.263 -3.748 -2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.952 -2.198 -1.364 1.00 0.00 H new ATOM 106 N GLU A 64 -10.066 -5.703 -2.092 1.00 0.00 N ATOM 107 CA GLU A 64 -9.435 -6.954 -2.496 1.00 0.00 C ATOM 108 C GLU A 64 -8.564 -6.738 -3.729 1.00 0.00 C ATOM 109 O GLU A 64 -7.487 -7.322 -3.851 1.00 0.00 O ATOM 110 CB GLU A 64 -10.507 -8.003 -2.803 1.00 0.00 C ATOM 111 CG GLU A 64 -9.834 -9.340 -3.122 1.00 0.00 C ATOM 112 CD GLU A 64 -10.892 -10.423 -3.308 1.00 0.00 C ATOM 113 OE1 GLU A 64 -11.553 -10.752 -2.337 1.00 0.00 O ATOM 114 OE2 GLU A 64 -11.024 -10.909 -4.420 1.00 0.00 O ATOM 0 H GLU A 64 -11.077 -5.672 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.807 -7.305 -1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.177 -8.115 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.117 -7.680 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.233 -9.248 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.155 -9.617 -2.315 1.00 0.00 H new ATOM 121 N GLN A 65 -9.038 -5.894 -4.639 1.00 0.00 N ATOM 122 CA GLN A 65 -8.295 -5.604 -5.861 1.00 0.00 C ATOM 123 C GLN A 65 -6.978 -4.905 -5.533 1.00 0.00 C ATOM 124 O GLN A 65 -5.908 -5.357 -5.943 1.00 0.00 O ATOM 125 CB GLN A 65 -9.133 -4.718 -6.784 1.00 0.00 C ATOM 126 CG GLN A 65 -8.307 -4.336 -8.014 1.00 0.00 C ATOM 127 CD GLN A 65 -9.215 -3.738 -9.085 1.00 0.00 C ATOM 128 OE1 GLN A 65 -8.756 -3.418 -10.180 1.00 0.00 O ATOM 129 NE2 GLN A 65 -10.483 -3.568 -8.830 1.00 0.00 N ATOM 0 H GLN A 65 -9.927 -5.401 -4.555 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.077 -6.546 -6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.037 -5.245 -7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.451 -3.821 -6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.536 -3.617 -7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.797 -5.215 -8.407 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.861 -3.835 -7.921 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.097 -3.169 -9.540 1.00 0.00 H new ATOM 138 N MET A 66 -7.065 -3.803 -4.795 1.00 0.00 N ATOM 139 CA MET A 66 -5.868 -3.054 -4.422 1.00 0.00 C ATOM 140 C MET A 66 -4.920 -3.931 -3.611 1.00 0.00 C ATOM 141 O MET A 66 -3.702 -3.823 -3.735 1.00 0.00 O ATOM 142 CB MET A 66 -6.255 -1.819 -3.604 1.00 0.00 C ATOM 143 CG MET A 66 -7.036 -2.249 -2.365 1.00 0.00 C ATOM 144 SD MET A 66 -7.512 -0.784 -1.410 1.00 0.00 S ATOM 145 CE MET A 66 -8.596 -0.033 -2.651 1.00 0.00 C ATOM 0 H MET A 66 -7.940 -3.412 -4.446 1.00 0.00 H new ATOM 0 HA MET A 66 -5.361 -2.738 -5.334 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.360 -1.270 -3.310 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.858 -1.143 -4.210 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.924 -2.809 -2.658 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.428 -2.914 -1.752 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.529 0.275 -2.180 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.104 0.837 -3.085 1.00 0.00 H new ATOM 0 HE3 MET A 66 -8.808 -0.759 -3.436 1.00 0.00 H new ATOM 155 N ALA A 67 -5.490 -4.801 -2.781 1.00 0.00 N ATOM 156 CA ALA A 67 -4.683 -5.692 -1.956 1.00 0.00 C ATOM 157 C ALA A 67 -3.880 -6.646 -2.832 1.00 0.00 C ATOM 158 O ALA A 67 -2.713 -6.924 -2.558 1.00 0.00 O ATOM 159 CB ALA A 67 -5.584 -6.494 -1.016 1.00 0.00 C ATOM 0 H ALA A 67 -6.498 -4.907 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.993 -5.088 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.973 -7.157 -0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.137 -5.811 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.286 -7.087 -1.603 1.00 0.00 H new ATOM 165 N LYS A 68 -4.516 -7.141 -3.889 1.00 0.00 N ATOM 166 CA LYS A 68 -3.853 -8.060 -4.805 1.00 0.00 C ATOM 167 C LYS A 68 -2.771 -7.334 -5.598 1.00 0.00 C ATOM 168 O LYS A 68 -1.652 -7.829 -5.737 1.00 0.00 O ATOM 169 CB LYS A 68 -4.880 -8.664 -5.765 1.00 0.00 C ATOM 170 CG LYS A 68 -5.692 -9.740 -5.040 1.00 0.00 C ATOM 171 CD LYS A 68 -6.725 -10.333 -5.997 1.00 0.00 C ATOM 172 CE LYS A 68 -7.437 -11.505 -5.319 1.00 0.00 C ATOM 173 NZ LYS A 68 -8.603 -11.926 -6.147 1.00 0.00 N ATOM 0 H LYS A 68 -5.483 -6.923 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.387 -8.856 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.544 -7.885 -6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.375 -9.096 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.030 -10.524 -4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.191 -9.310 -4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.449 -9.571 -6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.237 -10.670 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.747 -12.339 -5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.771 -11.214 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.484 -11.626 -5.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.539 -11.485 -7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.600 -12.961 -6.249 1.00 0.00 H new ATOM 187 N GLU A 69 -3.114 -6.156 -6.114 1.00 0.00 N ATOM 188 CA GLU A 69 -2.167 -5.366 -6.893 1.00 0.00 C ATOM 189 C GLU A 69 -0.997 -4.919 -6.023 1.00 0.00 C ATOM 190 O GLU A 69 0.143 -4.849 -6.483 1.00 0.00 O ATOM 191 CB GLU A 69 -2.868 -4.137 -7.474 1.00 0.00 C ATOM 192 CG GLU A 69 -3.880 -4.578 -8.534 1.00 0.00 C ATOM 193 CD GLU A 69 -3.152 -4.997 -9.806 1.00 0.00 C ATOM 194 OE1 GLU A 69 -2.761 -6.150 -9.889 1.00 0.00 O ATOM 195 OE2 GLU A 69 -2.998 -4.161 -10.680 1.00 0.00 O ATOM 0 H GLU A 69 -4.035 -5.731 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.786 -5.987 -7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.373 -3.585 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.135 -3.462 -7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.477 -5.408 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.570 -3.763 -8.752 1.00 0.00 H new ATOM 202 N MET A 70 -1.284 -4.622 -4.763 1.00 0.00 N ATOM 203 CA MET A 70 -0.248 -4.186 -3.837 1.00 0.00 C ATOM 204 C MET A 70 0.678 -5.349 -3.490 1.00 0.00 C ATOM 205 O MET A 70 1.885 -5.286 -3.719 1.00 0.00 O ATOM 206 CB MET A 70 -0.889 -3.638 -2.556 1.00 0.00 C ATOM 207 CG MET A 70 -1.282 -2.169 -2.750 1.00 0.00 C ATOM 208 SD MET A 70 -1.641 -1.424 -1.140 1.00 0.00 S ATOM 209 CE MET A 70 -3.370 -1.944 -1.021 1.00 0.00 C ATOM 0 H MET A 70 -2.220 -4.674 -4.360 1.00 0.00 H new ATOM 0 HA MET A 70 0.336 -3.399 -4.314 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.770 -4.227 -2.300 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.191 -3.729 -1.723 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.474 -1.627 -3.242 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.155 -2.097 -3.399 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.685 -1.925 0.022 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.995 -1.265 -1.601 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.473 -2.956 -1.413 1.00 0.00 H new ATOM 219 N SER A 71 0.101 -6.406 -2.929 1.00 0.00 N ATOM 220 CA SER A 71 0.880 -7.576 -2.543 1.00 0.00 C ATOM 221 C SER A 71 1.816 -8.010 -3.670 1.00 0.00 C ATOM 222 O SER A 71 3.020 -8.168 -3.458 1.00 0.00 O ATOM 223 CB SER A 71 -0.057 -8.728 -2.181 1.00 0.00 C ATOM 224 OG SER A 71 0.685 -9.941 -2.136 1.00 0.00 O ATOM 0 H SER A 71 -0.897 -6.477 -2.732 1.00 0.00 H new ATOM 0 HA SER A 71 1.485 -7.310 -1.677 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.527 -8.540 -1.216 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.858 -8.805 -2.916 1.00 0.00 H new ATOM 0 HG SER A 71 0.087 -10.682 -1.903 1.00 0.00 H new ATOM 230 N GLU A 72 1.265 -8.207 -4.864 1.00 0.00 N ATOM 231 CA GLU A 72 2.080 -8.629 -5.999 1.00 0.00 C ATOM 232 C GLU A 72 3.131 -7.574 -6.331 1.00 0.00 C ATOM 233 O GLU A 72 4.275 -7.907 -6.641 1.00 0.00 O ATOM 234 CB GLU A 72 1.196 -8.896 -7.223 1.00 0.00 C ATOM 235 CG GLU A 72 0.627 -7.579 -7.748 1.00 0.00 C ATOM 236 CD GLU A 72 -0.404 -7.856 -8.836 1.00 0.00 C ATOM 237 OE1 GLU A 72 -1.278 -8.677 -8.604 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.306 -7.245 -9.887 1.00 0.00 O ATOM 0 H GLU A 72 0.274 -8.084 -5.070 1.00 0.00 H new ATOM 0 HA GLU A 72 2.591 -9.552 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.778 -9.388 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.384 -9.573 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.167 -7.021 -6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.430 -6.959 -8.146 1.00 0.00 H new ATOM 245 N PHE A 73 2.744 -6.301 -6.262 1.00 0.00 N ATOM 246 CA PHE A 73 3.682 -5.222 -6.556 1.00 0.00 C ATOM 247 C PHE A 73 4.973 -5.421 -5.766 1.00 0.00 C ATOM 248 O PHE A 73 6.066 -5.405 -6.331 1.00 0.00 O ATOM 249 CB PHE A 73 3.058 -3.861 -6.206 1.00 0.00 C ATOM 250 CG PHE A 73 2.766 -3.088 -7.475 1.00 0.00 C ATOM 251 CD1 PHE A 73 1.973 -3.662 -8.475 1.00 0.00 C ATOM 252 CD2 PHE A 73 3.289 -1.799 -7.648 1.00 0.00 C ATOM 253 CE1 PHE A 73 1.702 -2.948 -9.650 1.00 0.00 C ATOM 254 CE2 PHE A 73 3.019 -1.087 -8.823 1.00 0.00 C ATOM 255 CZ PHE A 73 2.224 -1.660 -9.823 1.00 0.00 C ATOM 0 H PHE A 73 1.804 -5.996 -6.010 1.00 0.00 H new ATOM 0 HA PHE A 73 3.910 -5.240 -7.622 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.139 -4.007 -5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.737 -3.292 -5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.570 -4.655 -8.341 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.900 -1.355 -6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.091 -3.391 -10.422 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.424 -0.095 -8.958 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.013 -1.109 -10.728 1.00 0.00 H new ATOM 265 N LEU A 74 4.839 -5.611 -4.456 1.00 0.00 N ATOM 266 CA LEU A 74 6.006 -5.815 -3.604 1.00 0.00 C ATOM 267 C LEU A 74 6.755 -7.075 -4.021 1.00 0.00 C ATOM 268 O LEU A 74 7.970 -7.049 -4.221 1.00 0.00 O ATOM 269 CB LEU A 74 5.578 -5.939 -2.139 1.00 0.00 C ATOM 270 CG LEU A 74 4.598 -4.817 -1.785 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.317 -4.842 -0.281 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.207 -3.464 -2.167 1.00 0.00 C ATOM 0 H LEU A 74 3.945 -5.628 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 74 6.665 -4.954 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.111 -6.909 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.452 -5.888 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 74 3.667 -4.963 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.619 -4.044 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.882 -5.804 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.249 -4.697 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.508 -2.666 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.139 -3.317 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.408 -3.445 -3.238 1.00 0.00 H new ATOM 284 N SER A 75 6.024 -8.178 -4.151 1.00 0.00 N ATOM 285 CA SER A 75 6.632 -9.443 -4.544 1.00 0.00 C ATOM 286 C SER A 75 7.577 -9.236 -5.723 1.00 0.00 C ATOM 287 O SER A 75 8.645 -9.846 -5.789 1.00 0.00 O ATOM 288 CB SER A 75 5.539 -10.447 -4.922 1.00 0.00 C ATOM 289 OG SER A 75 5.565 -10.673 -6.326 1.00 0.00 O ATOM 0 H SER A 75 5.018 -8.221 -3.991 1.00 0.00 H new ATOM 0 HA SER A 75 7.205 -9.833 -3.703 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.693 -11.385 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.562 -10.067 -4.622 1.00 0.00 H new ATOM 0 HG SER A 75 5.153 -9.913 -6.787 1.00 0.00 H new ATOM 295 N ARG A 76 7.180 -8.373 -6.653 1.00 0.00 N ATOM 296 CA ARG A 76 8.001 -8.093 -7.825 1.00 0.00 C ATOM 297 C ARG A 76 9.097 -7.091 -7.482 1.00 0.00 C ATOM 298 O ARG A 76 10.202 -7.154 -8.023 1.00 0.00 O ATOM 299 CB ARG A 76 7.130 -7.533 -8.952 1.00 0.00 C ATOM 300 CG ARG A 76 6.099 -8.580 -9.372 1.00 0.00 C ATOM 301 CD ARG A 76 5.459 -8.163 -10.697 1.00 0.00 C ATOM 302 NE ARG A 76 4.268 -8.962 -10.958 1.00 0.00 N ATOM 303 CZ ARG A 76 3.442 -8.659 -11.954 1.00 0.00 C ATOM 304 NH1 ARG A 76 3.691 -7.630 -12.717 1.00 0.00 N ATOM 305 NH2 ARG A 76 2.383 -9.390 -12.170 1.00 0.00 N ATOM 0 H ARG A 76 6.300 -7.858 -6.618 1.00 0.00 H new ATOM 0 HA ARG A 76 8.464 -9.024 -8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.627 -6.625 -8.619 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.752 -7.258 -9.804 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.576 -9.554 -9.477 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.334 -8.682 -8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.196 -7.106 -10.665 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.175 -8.289 -11.510 1.00 0.00 H new ATOM 0 HE ARG A 76 4.065 -9.767 -10.366 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.519 -7.059 -12.549 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.057 -7.397 -13.482 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.189 -10.195 -11.574 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.750 -9.157 -12.935 1.00 0.00 H new ATOM 526 N TYR A 92 10.104 8.965 5.335 1.00 0.00 N ATOM 527 CA TYR A 92 9.046 9.483 4.474 1.00 0.00 C ATOM 528 C TYR A 92 7.675 9.093 5.021 1.00 0.00 C ATOM 529 O TYR A 92 7.300 7.920 5.000 1.00 0.00 O ATOM 530 CB TYR A 92 9.210 8.926 3.055 1.00 0.00 C ATOM 531 CG TYR A 92 10.154 9.801 2.266 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.698 11.007 1.719 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.485 9.408 2.081 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.571 11.819 0.987 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.359 10.220 1.348 1.00 0.00 C ATOM 536 CZ TYR A 92 11.903 11.427 0.802 1.00 0.00 C ATOM 537 OH TYR A 92 12.765 12.226 0.080 1.00 0.00 O ATOM 0 HA TYR A 92 9.120 10.570 4.448 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.594 7.907 3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.241 8.881 2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.671 11.310 1.862 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.837 8.479 2.504 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.218 12.748 0.565 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.385 9.916 1.203 1.00 0.00 H new ATOM 0 HH TYR A 92 13.358 11.663 -0.460 1.00 0.00 H new ATOM 547 N ASP A 93 6.931 10.083 5.502 1.00 0.00 N ATOM 548 CA ASP A 93 5.601 9.832 6.047 1.00 0.00 C ATOM 549 C ASP A 93 4.540 10.093 4.982 1.00 0.00 C ATOM 550 O ASP A 93 4.112 11.231 4.787 1.00 0.00 O ATOM 551 CB ASP A 93 5.349 10.738 7.254 1.00 0.00 C ATOM 552 CG ASP A 93 6.339 10.408 8.366 1.00 0.00 C ATOM 553 OD1 ASP A 93 6.185 9.367 8.980 1.00 0.00 O ATOM 554 OD2 ASP A 93 7.238 11.204 8.588 1.00 0.00 O ATOM 0 H ASP A 93 7.223 11.060 5.526 1.00 0.00 H new ATOM 0 HA ASP A 93 5.544 8.790 6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.451 11.783 6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.328 10.605 7.613 1.00 0.00 H new ATOM 559 N LEU A 94 4.124 9.034 4.295 1.00 0.00 N ATOM 560 CA LEU A 94 3.115 9.160 3.249 1.00 0.00 C ATOM 561 C LEU A 94 1.732 8.820 3.797 1.00 0.00 C ATOM 562 O LEU A 94 0.872 8.324 3.070 1.00 0.00 O ATOM 563 CB LEU A 94 3.446 8.226 2.083 1.00 0.00 C ATOM 564 CG LEU A 94 4.946 8.284 1.781 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.267 7.345 0.618 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.333 9.717 1.401 1.00 0.00 C ATOM 0 H LEU A 94 4.467 8.085 4.442 1.00 0.00 H new ATOM 0 HA LEU A 94 3.113 10.191 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.155 7.205 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.877 8.516 1.200 1.00 0.00 H new ATOM 0 HG LEU A 94 5.508 7.976 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.335 7.385 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.989 6.326 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.706 7.654 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.401 9.761 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.772 10.023 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.102 10.388 2.229 1.00 0.00 H new ATOM 578 N SER A 95 1.529 9.089 5.083 1.00 0.00 N ATOM 579 CA SER A 95 0.248 8.804 5.717 1.00 0.00 C ATOM 580 C SER A 95 -0.839 9.730 5.182 1.00 0.00 C ATOM 581 O SER A 95 -2.014 9.583 5.518 1.00 0.00 O ATOM 582 CB SER A 95 0.369 8.976 7.231 1.00 0.00 C ATOM 583 OG SER A 95 -0.899 8.745 7.832 1.00 0.00 O ATOM 0 H SER A 95 2.228 9.500 5.701 1.00 0.00 H new ATOM 0 HA SER A 95 -0.028 7.775 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.106 8.279 7.630 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.719 9.981 7.468 1.00 0.00 H new ATOM 0 HG SER A 95 -1.609 8.973 7.196 1.00 0.00 H new ATOM 589 N LYS A 96 -0.439 10.688 4.348 1.00 0.00 N ATOM 590 CA LYS A 96 -1.388 11.638 3.771 1.00 0.00 C ATOM 591 C LYS A 96 -1.607 11.348 2.290 1.00 0.00 C ATOM 592 O LYS A 96 -2.278 12.108 1.591 1.00 0.00 O ATOM 593 CB LYS A 96 -0.862 13.064 3.942 1.00 0.00 C ATOM 594 CG LYS A 96 -0.392 13.265 5.383 1.00 0.00 C ATOM 595 CD LYS A 96 0.025 14.723 5.590 1.00 0.00 C ATOM 596 CE LYS A 96 0.099 15.025 7.088 1.00 0.00 C ATOM 597 NZ LYS A 96 0.699 16.374 7.294 1.00 0.00 N ATOM 0 H LYS A 96 0.529 10.827 4.058 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.340 11.535 4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.038 13.244 3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.645 13.783 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.191 13.003 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.446 12.603 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.993 14.905 5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.691 15.389 5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.898 14.988 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.698 14.268 7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.749 16.580 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.657 16.394 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.110 17.091 6.825 1.00 0.00 H new ATOM 611 N TRP A 97 -1.038 10.244 1.816 1.00 0.00 N ATOM 612 CA TRP A 97 -1.175 9.860 0.414 1.00 0.00 C ATOM 613 C TRP A 97 -2.298 8.844 0.242 1.00 0.00 C ATOM 614 O TRP A 97 -2.728 8.209 1.204 1.00 0.00 O ATOM 615 CB TRP A 97 0.136 9.254 -0.092 1.00 0.00 C ATOM 616 CG TRP A 97 1.193 10.310 -0.142 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.600 11.054 0.913 1.00 0.00 C ATOM 618 CD2 TRP A 97 1.985 10.749 -1.282 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.594 11.919 0.492 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.867 11.769 -0.852 1.00 0.00 C ATOM 621 CE3 TRP A 97 2.027 10.364 -2.634 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.756 12.385 -1.731 1.00 0.00 C ATOM 623 CZ3 TRP A 97 2.921 10.983 -3.523 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.784 11.992 -3.072 1.00 0.00 C ATOM 0 H TRP A 97 -0.480 9.602 2.379 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.414 10.753 -0.163 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.450 8.442 0.564 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.009 8.824 -1.083 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.212 10.984 1.919 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.067 12.586 1.101 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.367 9.587 -2.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.419 13.161 -1.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.944 10.680 -4.559 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.469 12.465 -3.760 1.00 0.00 H new ATOM 635 N LYS A 98 -2.764 8.690 -0.996 1.00 0.00 N ATOM 636 CA LYS A 98 -3.835 7.742 -1.295 1.00 0.00 C ATOM 637 C LYS A 98 -3.296 6.588 -2.136 1.00 0.00 C ATOM 638 O LYS A 98 -2.318 6.744 -2.867 1.00 0.00 O ATOM 639 CB LYS A 98 -4.961 8.444 -2.054 1.00 0.00 C ATOM 640 CG LYS A 98 -5.272 9.787 -1.389 1.00 0.00 C ATOM 641 CD LYS A 98 -5.695 9.556 0.064 1.00 0.00 C ATOM 642 CE LYS A 98 -6.401 10.803 0.596 1.00 0.00 C ATOM 643 NZ LYS A 98 -7.751 10.914 -0.025 1.00 0.00 N ATOM 0 H LYS A 98 -2.419 9.207 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.225 7.350 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.670 8.600 -3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.852 7.817 -2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.395 10.433 -1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.067 10.298 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.360 8.694 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.822 9.331 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.492 10.747 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.811 11.692 0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.372 11.477 0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.670 11.379 -0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.155 9.964 -0.149 1.00 0.00 H new ATOM 657 N TYR A 99 -3.936 5.428 -2.024 1.00 0.00 N ATOM 658 CA TYR A 99 -3.507 4.256 -2.777 1.00 0.00 C ATOM 659 C TYR A 99 -3.219 4.626 -4.230 1.00 0.00 C ATOM 660 O TYR A 99 -2.238 4.165 -4.814 1.00 0.00 O ATOM 661 CB TYR A 99 -4.593 3.173 -2.725 1.00 0.00 C ATOM 662 CG TYR A 99 -4.284 2.090 -3.735 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.066 1.402 -3.674 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.215 1.777 -4.734 1.00 0.00 C ATOM 665 CE1 TYR A 99 -2.778 0.400 -4.609 1.00 0.00 C ATOM 666 CE2 TYR A 99 -4.927 0.775 -5.669 1.00 0.00 C ATOM 667 CZ TYR A 99 -3.709 0.087 -5.607 1.00 0.00 C ATOM 668 OH TYR A 99 -3.426 -0.900 -6.529 1.00 0.00 O ATOM 0 H TYR A 99 -4.747 5.275 -1.424 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.592 3.873 -2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.646 2.745 -1.724 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.568 3.612 -2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.348 1.644 -2.905 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.154 2.308 -4.783 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.839 -0.131 -4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.645 0.533 -6.439 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.178 -0.992 -7.151 1.00 0.00 H new ATOM 678 N ALA A 100 -4.079 5.459 -4.808 1.00 0.00 N ATOM 679 CA ALA A 100 -3.907 5.881 -6.194 1.00 0.00 C ATOM 680 C ALA A 100 -2.663 6.752 -6.339 1.00 0.00 C ATOM 681 O ALA A 100 -1.935 6.653 -7.328 1.00 0.00 O ATOM 682 CB ALA A 100 -5.137 6.665 -6.657 1.00 0.00 C ATOM 0 H ALA A 100 -4.896 5.853 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.788 4.992 -6.813 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.001 6.977 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.021 6.032 -6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.266 7.545 -6.027 1.00 0.00 H new ATOM 688 N GLU A 101 -2.426 7.603 -5.350 1.00 0.00 N ATOM 689 CA GLU A 101 -1.269 8.488 -5.376 1.00 0.00 C ATOM 690 C GLU A 101 0.021 7.686 -5.258 1.00 0.00 C ATOM 691 O GLU A 101 0.965 7.896 -6.017 1.00 0.00 O ATOM 692 CB GLU A 101 -1.357 9.495 -4.227 1.00 0.00 C ATOM 693 CG GLU A 101 -2.642 10.319 -4.360 1.00 0.00 C ATOM 694 CD GLU A 101 -2.421 11.485 -5.319 1.00 0.00 C ATOM 695 OE1 GLU A 101 -1.945 12.514 -4.868 1.00 0.00 O ATOM 696 OE2 GLU A 101 -2.730 11.331 -6.488 1.00 0.00 O ATOM 0 H GLU A 101 -3.016 7.699 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.263 9.022 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.346 8.972 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.488 10.153 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.452 9.687 -4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.945 10.694 -3.383 1.00 0.00 H new ATOM 703 N LEU A 102 0.055 6.765 -4.300 1.00 0.00 N ATOM 704 CA LEU A 102 1.236 5.936 -4.091 1.00 0.00 C ATOM 705 C LEU A 102 1.557 5.126 -5.344 1.00 0.00 C ATOM 706 O LEU A 102 2.611 5.308 -5.959 1.00 0.00 O ATOM 707 CB LEU A 102 1.004 4.988 -2.913 1.00 0.00 C ATOM 708 CG LEU A 102 0.713 5.797 -1.646 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.346 4.842 -0.508 1.00 0.00 C ATOM 710 CD2 LEU A 102 1.955 6.608 -1.250 1.00 0.00 C ATOM 0 H LEU A 102 -0.716 6.575 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 102 2.080 6.590 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.169 4.321 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.882 4.360 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.116 6.479 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.138 5.415 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.539 4.269 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.177 4.161 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.742 7.182 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.787 5.930 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.218 7.289 -2.059 1.00 0.00 H new ATOM 722 N ARG A 103 0.647 4.231 -5.719 1.00 0.00 N ATOM 723 CA ARG A 103 0.853 3.401 -6.900 1.00 0.00 C ATOM 724 C ARG A 103 1.227 4.265 -8.101 1.00 0.00 C ATOM 725 O ARG A 103 2.070 3.888 -8.917 1.00 0.00 O ATOM 726 CB ARG A 103 -0.415 2.599 -7.208 1.00 0.00 C ATOM 727 CG ARG A 103 -1.511 3.540 -7.712 1.00 0.00 C ATOM 728 CD ARG A 103 -2.842 2.785 -7.780 1.00 0.00 C ATOM 729 NE ARG A 103 -3.770 3.478 -8.667 1.00 0.00 N ATOM 730 CZ ARG A 103 -4.820 2.851 -9.188 1.00 0.00 C ATOM 731 NH1 ARG A 103 -5.038 1.596 -8.906 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.636 3.492 -9.980 1.00 0.00 N ATOM 0 H ARG A 103 -0.231 4.063 -5.228 1.00 0.00 H new ATOM 0 HA ARG A 103 1.671 2.710 -6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.202 1.838 -7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.753 2.078 -6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.602 4.399 -7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.249 3.926 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.674 1.769 -8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.273 2.703 -6.782 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.610 4.460 -8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.402 1.095 -8.285 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.844 1.116 -9.306 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.468 4.474 -10.199 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.442 3.011 -10.380 1.00 0.00 H new ATOM 746 N ASP A 104 0.596 5.431 -8.203 1.00 0.00 N ATOM 747 CA ASP A 104 0.875 6.340 -9.307 1.00 0.00 C ATOM 748 C ASP A 104 2.315 6.837 -9.240 1.00 0.00 C ATOM 749 O ASP A 104 3.053 6.769 -10.221 1.00 0.00 O ATOM 750 CB ASP A 104 -0.082 7.529 -9.254 1.00 0.00 C ATOM 751 CG ASP A 104 0.313 8.567 -10.300 1.00 0.00 C ATOM 752 OD1 ASP A 104 -0.098 8.418 -11.438 1.00 0.00 O ATOM 753 OD2 ASP A 104 1.021 9.497 -9.946 1.00 0.00 O ATOM 0 H ASP A 104 -0.105 5.765 -7.541 1.00 0.00 H new ATOM 0 HA ASP A 104 0.734 5.802 -10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.103 7.192 -9.432 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.063 7.977 -8.261 1.00 0.00 H new ATOM 758 N THR A 105 2.705 7.341 -8.074 1.00 0.00 N ATOM 759 CA THR A 105 4.056 7.852 -7.890 1.00 0.00 C ATOM 760 C THR A 105 5.089 6.836 -8.366 1.00 0.00 C ATOM 761 O THR A 105 5.900 7.128 -9.245 1.00 0.00 O ATOM 762 CB THR A 105 4.298 8.178 -6.412 1.00 0.00 C ATOM 763 OG1 THR A 105 3.123 8.751 -5.860 1.00 0.00 O ATOM 764 CG2 THR A 105 5.457 9.166 -6.285 1.00 0.00 C ATOM 0 H THR A 105 2.109 7.406 -7.249 1.00 0.00 H new ATOM 0 HA THR A 105 4.161 8.760 -8.484 1.00 0.00 H new ATOM 0 HB THR A 105 4.547 7.263 -5.874 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.546 8.041 -5.510 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.626 9.395 -5.233 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.359 8.725 -6.710 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.214 10.083 -6.822 1.00 0.00 H new ATOM 772 N ILE A 106 5.062 5.642 -7.779 1.00 0.00 N ATOM 773 CA ILE A 106 6.012 4.602 -8.157 1.00 0.00 C ATOM 774 C ILE A 106 5.872 4.252 -9.634 1.00 0.00 C ATOM 775 O ILE A 106 6.841 3.853 -10.279 1.00 0.00 O ATOM 776 CB ILE A 106 5.795 3.352 -7.308 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.398 2.790 -7.563 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.928 3.717 -5.830 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.166 1.588 -6.647 1.00 0.00 C ATOM 0 H ILE A 106 4.402 5.374 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 106 7.018 4.983 -7.982 1.00 0.00 H new ATOM 0 HB ILE A 106 6.540 2.602 -7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.645 3.556 -7.376 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.298 2.492 -8.607 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.774 2.827 -5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.924 4.117 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.181 4.468 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.170 1.182 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.913 0.822 -6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.250 1.902 -5.607 1.00 0.00 H new ATOM 791 N ASN A 107 4.664 4.402 -10.168 1.00 0.00 N ATOM 792 CA ASN A 107 4.426 4.093 -11.571 1.00 0.00 C ATOM 793 C ASN A 107 5.123 5.109 -12.475 1.00 0.00 C ATOM 794 O ASN A 107 5.507 4.789 -13.598 1.00 0.00 O ATOM 795 CB ASN A 107 2.922 4.095 -11.850 1.00 0.00 C ATOM 796 CG ASN A 107 2.370 2.672 -11.809 1.00 0.00 C ATOM 797 OD1 ASN A 107 2.754 1.834 -12.624 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.490 2.350 -10.901 1.00 0.00 N ATOM 0 H ASN A 107 3.845 4.731 -9.657 1.00 0.00 H new ATOM 0 HA ASN A 107 4.835 3.105 -11.784 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.410 4.712 -11.112 1.00 0.00 H new ATOM 0 HB3 ASN A 107 2.728 4.539 -12.826 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.118 1.401 -10.865 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.174 3.047 -10.227 1.00 0.00 H new ATOM 805 N THR A 108 5.279 6.337 -11.981 1.00 0.00 N ATOM 806 CA THR A 108 5.928 7.389 -12.762 1.00 0.00 C ATOM 807 C THR A 108 6.968 8.132 -11.927 1.00 0.00 C ATOM 808 O THR A 108 7.040 9.361 -11.961 1.00 0.00 O ATOM 809 CB THR A 108 4.881 8.383 -13.277 1.00 0.00 C ATOM 810 OG1 THR A 108 5.537 9.540 -13.777 1.00 0.00 O ATOM 811 CG2 THR A 108 3.937 8.782 -12.139 1.00 0.00 C ATOM 0 H THR A 108 4.968 6.626 -11.053 1.00 0.00 H new ATOM 0 HA THR A 108 6.433 6.918 -13.606 1.00 0.00 H new ATOM 0 HB THR A 108 4.302 7.916 -14.074 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.974 10.013 -13.038 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.196 9.489 -12.512 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.432 7.895 -11.757 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.510 9.247 -11.337 1.00 0.00 H new ATOM 819 N SER A 109 7.776 7.380 -11.185 1.00 0.00 N ATOM 820 CA SER A 109 8.819 7.978 -10.349 1.00 0.00 C ATOM 821 C SER A 109 10.176 7.353 -10.661 1.00 0.00 C ATOM 822 O SER A 109 10.271 6.419 -11.458 1.00 0.00 O ATOM 823 CB SER A 109 8.491 7.773 -8.872 1.00 0.00 C ATOM 824 OG SER A 109 9.654 8.034 -8.094 1.00 0.00 O ATOM 0 H SER A 109 7.732 6.362 -11.144 1.00 0.00 H new ATOM 0 HA SER A 109 8.862 9.046 -10.564 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.681 8.438 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.146 6.753 -8.702 1.00 0.00 H new ATOM 0 HG SER A 109 9.448 7.905 -7.145 1.00 0.00 H new ATOM 830 N CYS A 110 11.223 7.877 -10.029 1.00 0.00 N ATOM 831 CA CYS A 110 12.570 7.364 -10.250 1.00 0.00 C ATOM 832 C CYS A 110 13.434 7.567 -9.007 1.00 0.00 C ATOM 833 O CYS A 110 14.661 7.604 -9.094 1.00 0.00 O ATOM 834 CB CYS A 110 13.212 8.078 -11.440 1.00 0.00 C ATOM 835 SG CYS A 110 14.704 7.190 -11.945 1.00 0.00 S ATOM 0 H CYS A 110 11.165 8.650 -9.366 1.00 0.00 H new ATOM 0 HA CYS A 110 12.501 6.297 -10.460 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.508 8.128 -12.270 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.461 9.104 -11.170 1.00 0.00 H new ATOM 0 HG CYS A 110 15.422 6.917 -10.896 1.00 0.00 H new ATOM 841 N ASP A 111 12.786 7.692 -7.853 1.00 0.00 N ATOM 842 CA ASP A 111 13.505 7.886 -6.597 1.00 0.00 C ATOM 843 C ASP A 111 13.551 6.577 -5.812 1.00 0.00 C ATOM 844 O ASP A 111 12.559 5.858 -5.731 1.00 0.00 O ATOM 845 CB ASP A 111 12.816 8.976 -5.764 1.00 0.00 C ATOM 846 CG ASP A 111 13.466 10.332 -6.030 1.00 0.00 C ATOM 847 OD1 ASP A 111 13.806 10.590 -7.174 1.00 0.00 O ATOM 848 OD2 ASP A 111 13.614 11.091 -5.088 1.00 0.00 O ATOM 0 H ASP A 111 11.771 7.663 -7.761 1.00 0.00 H new ATOM 0 HA ASP A 111 14.525 8.200 -6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.755 9.018 -6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.886 8.733 -4.704 1.00 0.00 H new ATOM 853 N ILE A 112 14.710 6.269 -5.246 1.00 0.00 N ATOM 854 CA ILE A 112 14.872 5.037 -4.482 1.00 0.00 C ATOM 855 C ILE A 112 14.154 5.129 -3.139 1.00 0.00 C ATOM 856 O ILE A 112 13.210 4.383 -2.879 1.00 0.00 O ATOM 857 CB ILE A 112 16.361 4.763 -4.251 1.00 0.00 C ATOM 858 CG1 ILE A 112 17.103 4.767 -5.599 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.532 3.406 -3.562 1.00 0.00 C ATOM 860 CD1 ILE A 112 17.010 3.388 -6.261 1.00 0.00 C ATOM 0 H ILE A 112 15.547 6.850 -5.300 1.00 0.00 H new ATOM 0 HA ILE A 112 14.432 4.220 -5.053 1.00 0.00 H new ATOM 0 HB ILE A 112 16.779 5.542 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.673 5.523 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.148 5.035 -5.446 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.592 3.212 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 112 16.013 3.416 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.113 2.622 -4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.539 3.405 -7.214 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.461 2.640 -5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.963 3.136 -6.432 1.00 0.00 H new ATOM 872 N GLU A 113 14.607 6.043 -2.288 1.00 0.00 N ATOM 873 CA GLU A 113 13.998 6.217 -0.974 1.00 0.00 C ATOM 874 C GLU A 113 12.481 6.335 -1.094 1.00 0.00 C ATOM 875 O GLU A 113 11.738 5.722 -0.327 1.00 0.00 O ATOM 876 CB GLU A 113 14.563 7.469 -0.296 1.00 0.00 C ATOM 877 CG GLU A 113 14.623 8.621 -1.301 1.00 0.00 C ATOM 878 CD GLU A 113 15.223 9.859 -0.640 1.00 0.00 C ATOM 879 OE1 GLU A 113 15.707 9.735 0.472 1.00 0.00 O ATOM 880 OE2 GLU A 113 15.186 10.911 -1.255 1.00 0.00 O ATOM 0 H GLU A 113 15.387 6.670 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 113 14.232 5.342 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.938 7.747 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.559 7.263 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.224 8.332 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.622 8.845 -1.671 1.00 0.00 H new ATOM 887 N LEU A 114 12.029 7.127 -2.060 1.00 0.00 N ATOM 888 CA LEU A 114 10.598 7.319 -2.273 1.00 0.00 C ATOM 889 C LEU A 114 9.935 5.985 -2.610 1.00 0.00 C ATOM 890 O LEU A 114 9.043 5.525 -1.896 1.00 0.00 O ATOM 891 CB LEU A 114 10.383 8.327 -3.413 1.00 0.00 C ATOM 892 CG LEU A 114 8.893 8.686 -3.579 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.120 7.495 -4.159 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.285 9.085 -2.226 1.00 0.00 C ATOM 0 H LEU A 114 12.628 7.644 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 114 10.144 7.709 -1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.956 9.232 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.763 7.910 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 114 8.818 9.529 -4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.069 7.763 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.533 7.233 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.207 6.642 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.233 9.336 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.374 8.253 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.816 9.950 -1.829 1.00 0.00 H new ATOM 906 N LEU A 115 10.380 5.368 -3.700 1.00 0.00 N ATOM 907 CA LEU A 115 9.826 4.084 -4.120 1.00 0.00 C ATOM 908 C LEU A 115 9.666 3.163 -2.911 1.00 0.00 C ATOM 909 O LEU A 115 8.634 2.513 -2.743 1.00 0.00 O ATOM 910 CB LEU A 115 10.761 3.424 -5.150 1.00 0.00 C ATOM 911 CG LEU A 115 10.317 3.736 -6.592 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.185 2.791 -7.001 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.843 5.193 -6.715 1.00 0.00 C ATOM 0 H LEU A 115 11.116 5.732 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 115 8.849 4.252 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.781 3.777 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.771 2.345 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 115 11.171 3.592 -7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.874 3.016 -8.021 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.534 1.760 -6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.339 2.924 -6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.535 5.390 -7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.000 5.359 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.658 5.865 -6.446 1.00 0.00 H new ATOM 925 N ALA A 116 10.697 3.118 -2.072 1.00 0.00 N ATOM 926 CA ALA A 116 10.665 2.278 -0.881 1.00 0.00 C ATOM 927 C ALA A 116 9.527 2.702 0.041 1.00 0.00 C ATOM 928 O ALA A 116 8.748 1.870 0.505 1.00 0.00 O ATOM 929 CB ALA A 116 11.997 2.382 -0.136 1.00 0.00 C ATOM 0 H ALA A 116 11.559 3.650 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 116 10.501 1.245 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 116 11.967 1.752 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.805 2.051 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.169 3.417 0.159 1.00 0.00 H new ATOM 935 N ALA A 117 9.437 4.002 0.298 1.00 0.00 N ATOM 936 CA ALA A 117 8.390 4.529 1.166 1.00 0.00 C ATOM 937 C ALA A 117 7.029 3.972 0.760 1.00 0.00 C ATOM 938 O ALA A 117 6.332 3.359 1.568 1.00 0.00 O ATOM 939 CB ALA A 117 8.368 6.055 1.085 1.00 0.00 C ATOM 0 H ALA A 117 10.071 4.706 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 117 8.602 4.224 2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.584 6.443 1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.332 6.450 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.172 6.362 0.058 1.00 0.00 H new ATOM 945 N CYS A 118 6.657 4.191 -0.496 1.00 0.00 N ATOM 946 CA CYS A 118 5.375 3.704 -0.996 1.00 0.00 C ATOM 947 C CYS A 118 5.228 2.208 -0.735 1.00 0.00 C ATOM 948 O CYS A 118 4.288 1.772 -0.067 1.00 0.00 O ATOM 949 CB CYS A 118 5.266 3.970 -2.499 1.00 0.00 C ATOM 950 SG CYS A 118 5.407 5.745 -2.810 1.00 0.00 S ATOM 0 H CYS A 118 7.218 4.697 -1.181 1.00 0.00 H new ATOM 0 HA CYS A 118 4.580 4.233 -0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.051 3.433 -3.032 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.313 3.599 -2.877 1.00 0.00 H new ATOM 0 HG CYS A 118 4.908 6.022 -3.978 1.00 0.00 H new ATOM 956 N ARG A 119 6.159 1.425 -1.269 1.00 0.00 N ATOM 957 CA ARG A 119 6.121 -0.021 -1.088 1.00 0.00 C ATOM 958 C ARG A 119 5.852 -0.372 0.372 1.00 0.00 C ATOM 959 O ARG A 119 5.013 -1.223 0.672 1.00 0.00 O ATOM 960 CB ARG A 119 7.453 -0.639 -1.534 1.00 0.00 C ATOM 961 CG ARG A 119 7.435 -0.870 -3.048 1.00 0.00 C ATOM 962 CD ARG A 119 8.757 -1.509 -3.483 1.00 0.00 C ATOM 963 NE ARG A 119 8.598 -2.158 -4.780 1.00 0.00 N ATOM 964 CZ ARG A 119 8.524 -1.447 -5.901 1.00 0.00 C ATOM 965 NH1 ARG A 119 8.595 -0.144 -5.853 1.00 0.00 N ATOM 966 NH2 ARG A 119 8.382 -2.052 -7.048 1.00 0.00 N ATOM 0 H ARG A 119 6.943 1.764 -1.826 1.00 0.00 H new ATOM 0 HA ARG A 119 5.313 -0.425 -1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.278 0.021 -1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.619 -1.583 -1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.600 -1.517 -3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.287 0.076 -3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 119 9.536 -0.748 -3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.079 -2.238 -2.740 1.00 0.00 H new ATOM 0 HE ARG A 119 8.543 -3.175 -4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 119 8.707 0.328 -4.956 1.00 0.00 H new ATOM 0 HH12 ARG A 119 8.538 0.402 -6.713 1.00 0.00 H new ATOM 0 HH21 ARG A 119 8.328 -3.070 -7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 119 8.325 -1.507 -7.908 1.00 0.00 H new ATOM 980 N GLU A 120 6.564 0.289 1.279 1.00 0.00 N ATOM 981 CA GLU A 120 6.388 0.036 2.703 1.00 0.00 C ATOM 982 C GLU A 120 4.944 0.296 3.117 1.00 0.00 C ATOM 983 O GLU A 120 4.317 -0.536 3.772 1.00 0.00 O ATOM 984 CB GLU A 120 7.326 0.930 3.520 1.00 0.00 C ATOM 985 CG GLU A 120 8.776 0.497 3.290 1.00 0.00 C ATOM 986 CD GLU A 120 9.076 -0.766 4.090 1.00 0.00 C ATOM 987 OE1 GLU A 120 9.449 -0.636 5.245 1.00 0.00 O ATOM 988 OE2 GLU A 120 8.929 -1.844 3.538 1.00 0.00 O ATOM 0 H GLU A 120 7.262 0.998 1.055 1.00 0.00 H new ATOM 0 HA GLU A 120 6.629 -1.009 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.196 1.972 3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.079 0.862 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.946 0.314 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.455 1.296 3.588 1.00 0.00 H new ATOM 995 N GLU A 121 4.417 1.453 2.724 1.00 0.00 N ATOM 996 CA GLU A 121 3.041 1.801 3.058 1.00 0.00 C ATOM 997 C GLU A 121 2.117 0.633 2.733 1.00 0.00 C ATOM 998 O GLU A 121 1.304 0.222 3.562 1.00 0.00 O ATOM 999 CB GLU A 121 2.604 3.046 2.269 1.00 0.00 C ATOM 1000 CG GLU A 121 2.562 4.265 3.195 1.00 0.00 C ATOM 1001 CD GLU A 121 3.960 4.566 3.724 1.00 0.00 C ATOM 1002 OE1 GLU A 121 4.690 3.623 3.984 1.00 0.00 O ATOM 1003 OE2 GLU A 121 4.280 5.735 3.863 1.00 0.00 O ATOM 0 H GLU A 121 4.916 2.157 2.180 1.00 0.00 H new ATOM 0 HA GLU A 121 2.982 2.019 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.296 3.227 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.621 2.880 1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.175 5.129 2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.882 4.077 4.026 1.00 0.00 H new ATOM 1010 N PHE A 122 2.249 0.101 1.523 1.00 0.00 N ATOM 1011 CA PHE A 122 1.423 -1.022 1.102 1.00 0.00 C ATOM 1012 C PHE A 122 1.572 -2.187 2.076 1.00 0.00 C ATOM 1013 O PHE A 122 0.601 -2.625 2.688 1.00 0.00 O ATOM 1014 CB PHE A 122 1.827 -1.482 -0.302 1.00 0.00 C ATOM 1015 CG PHE A 122 1.642 -0.367 -1.315 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.638 0.602 -1.153 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.480 -0.317 -2.435 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.481 1.614 -2.108 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.320 0.694 -3.387 1.00 0.00 C ATOM 1020 CZ PHE A 122 1.323 1.660 -3.225 1.00 0.00 C ATOM 0 H PHE A 122 2.915 0.427 0.822 1.00 0.00 H new ATOM 0 HA PHE A 122 0.383 -0.694 1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.868 -1.804 -0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.227 -2.345 -0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.013 0.566 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.252 -1.061 -2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.290 2.359 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 122 2.968 0.729 -4.250 1.00 0.00 H new ATOM 0 HZ PHE A 122 1.202 2.441 -3.961 1.00 0.00 H new ATOM 1030 N HIS A 123 2.793 -2.685 2.216 1.00 0.00 N ATOM 1031 CA HIS A 123 3.055 -3.802 3.120 1.00 0.00 C ATOM 1032 C HIS A 123 2.327 -3.613 4.449 1.00 0.00 C ATOM 1033 O HIS A 123 1.733 -4.550 4.983 1.00 0.00 O ATOM 1034 CB HIS A 123 4.556 -3.909 3.378 1.00 0.00 C ATOM 1035 CG HIS A 123 4.821 -4.991 4.389 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.462 -6.313 4.169 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.407 -4.962 5.630 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.833 -7.017 5.254 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.413 -6.243 6.174 1.00 0.00 N ATOM 0 H HIS A 123 3.614 -2.338 1.720 1.00 0.00 H new ATOM 0 HA HIS A 123 2.690 -4.716 2.651 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.080 -4.131 2.448 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.941 -2.956 3.741 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.803 -4.080 6.111 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.680 -8.080 5.367 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.782 -6.529 7.081 1.00 0.00 H new ATOM 1047 N ARG A 124 2.392 -2.400 4.984 1.00 0.00 N ATOM 1048 CA ARG A 124 1.755 -2.098 6.262 1.00 0.00 C ATOM 1049 C ARG A 124 0.237 -2.258 6.186 1.00 0.00 C ATOM 1050 O ARG A 124 -0.340 -3.091 6.885 1.00 0.00 O ATOM 1051 CB ARG A 124 2.095 -0.668 6.685 1.00 0.00 C ATOM 1052 CG ARG A 124 3.552 -0.603 7.148 1.00 0.00 C ATOM 1053 CD ARG A 124 4.005 0.856 7.208 1.00 0.00 C ATOM 1054 NE ARG A 124 3.029 1.661 7.932 1.00 0.00 N ATOM 1055 CZ ARG A 124 3.083 2.988 7.914 1.00 0.00 C ATOM 1056 NH1 ARG A 124 4.023 3.593 7.238 1.00 0.00 N ATOM 1057 NH2 ARG A 124 2.198 3.687 8.571 1.00 0.00 N ATOM 0 H ARG A 124 2.877 -1.612 4.556 1.00 0.00 H new ATOM 0 HA ARG A 124 2.135 -2.806 6.999 1.00 0.00 H new ATOM 0 HB2 ARG A 124 1.937 0.016 5.851 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.432 -0.349 7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.654 -1.067 8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.188 -1.164 6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.976 0.922 7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.131 1.246 6.198 1.00 0.00 H new ATOM 0 HE ARG A 124 2.291 1.197 8.462 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.714 3.046 6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 124 4.065 4.612 7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.464 3.214 9.099 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.240 4.706 8.557 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.405 -1.444 5.355 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.859 -1.499 5.227 1.00 0.00 C ATOM 1073 C ARG A 125 -2.319 -2.863 4.714 1.00 0.00 C ATOM 1074 O ARG A 125 -3.495 -3.205 4.820 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.354 -0.385 4.299 1.00 0.00 C ATOM 1076 CG ARG A 125 -2.084 -0.754 2.839 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.144 0.506 1.974 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.187 1.497 2.457 1.00 0.00 N ATOM 1079 CZ ARG A 125 -1.363 2.793 2.221 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -2.400 3.200 1.542 1.00 0.00 N ATOM 1081 NH2 ARG A 125 -0.495 3.660 2.669 1.00 0.00 N ATOM 0 H ARG A 125 0.050 -0.746 4.766 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.290 -1.351 6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -3.421 -0.224 4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.853 0.552 4.544 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.105 -1.225 2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.820 -1.480 2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.925 0.254 0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.151 0.922 1.995 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.370 1.190 2.984 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.078 2.523 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.533 4.195 1.362 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.316 3.342 3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -0.628 4.655 2.489 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.389 -3.644 4.170 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.732 -4.971 3.664 1.00 0.00 C ATOM 1097 C LEU A 126 -1.908 -5.936 4.831 1.00 0.00 C ATOM 1098 O LEU A 126 -2.972 -6.532 5.001 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.629 -5.487 2.720 1.00 0.00 C ATOM 1100 CG LEU A 126 -1.069 -5.379 1.250 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -2.359 -6.183 1.020 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -1.298 -3.907 0.881 1.00 0.00 C ATOM 0 H LEU A 126 -0.407 -3.387 4.069 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.666 -4.904 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.284 -4.912 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.397 -6.525 2.959 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.282 -5.789 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.659 -6.098 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.183 -7.231 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.151 -5.791 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.609 -3.837 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.075 -3.488 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.373 -3.349 1.021 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.863 -6.078 5.638 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.925 -6.967 6.791 1.00 0.00 C ATOM 1116 C LYS A 127 -2.093 -6.578 7.689 1.00 0.00 C ATOM 1117 O LYS A 127 -2.846 -7.435 8.152 1.00 0.00 O ATOM 1118 CB LYS A 127 0.382 -6.891 7.584 1.00 0.00 C ATOM 1119 CG LYS A 127 1.535 -7.434 6.732 1.00 0.00 C ATOM 1120 CD LYS A 127 1.425 -8.965 6.598 1.00 0.00 C ATOM 1121 CE LYS A 127 1.168 -9.342 5.136 1.00 0.00 C ATOM 1122 NZ LYS A 127 2.383 -9.044 4.325 1.00 0.00 N ATOM 0 H LYS A 127 0.027 -5.595 5.518 1.00 0.00 H new ATOM 0 HA LYS A 127 -1.070 -7.988 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.584 -5.859 7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.294 -7.468 8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.515 -6.973 5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.489 -7.169 7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 127 2.343 -9.437 6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.616 -9.337 7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.918 -10.400 5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.314 -8.785 4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 2.328 -9.550 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 2.440 -8.021 4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 3.230 -9.353 4.843 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.242 -5.278 7.923 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.328 -4.782 8.758 1.00 0.00 C ATOM 1138 C VAL A 128 -4.672 -5.063 8.094 1.00 0.00 C ATOM 1139 O VAL A 128 -5.647 -5.411 8.759 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.171 -3.277 8.983 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -4.274 -2.781 9.920 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -1.805 -2.997 9.617 1.00 0.00 C ATOM 0 H VAL A 128 -1.629 -4.554 7.549 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.291 -5.294 9.719 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.245 -2.759 8.027 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.161 -1.709 10.079 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.248 -2.981 9.473 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.200 -3.300 10.876 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.691 -1.925 9.778 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -1.734 -3.517 10.572 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.016 -3.350 8.952 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.710 -4.914 6.774 1.00 0.00 N ATOM 1153 CA TYR A 129 -5.933 -5.158 6.020 1.00 0.00 C ATOM 1154 C TYR A 129 -6.307 -6.637 6.084 1.00 0.00 C ATOM 1155 O TYR A 129 -7.481 -6.987 6.187 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.735 -4.731 4.560 1.00 0.00 C ATOM 1157 CG TYR A 129 -6.827 -5.321 3.694 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.167 -4.999 3.940 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.497 -6.187 2.644 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -9.176 -5.543 3.135 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -7.506 -6.731 1.840 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.845 -6.409 2.086 1.00 0.00 C ATOM 1163 OH TYR A 129 -9.840 -6.944 1.294 1.00 0.00 O ATOM 0 H TYR A 129 -3.912 -4.627 6.207 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.742 -4.573 6.459 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.749 -3.644 4.486 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.759 -5.063 4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.423 -4.332 4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.463 -6.435 2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.210 -5.294 3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.251 -7.399 1.030 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.440 -7.523 0.612 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.297 -7.499 6.024 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.528 -8.937 6.080 1.00 0.00 C ATOM 1175 C HIS A 130 -5.969 -9.354 7.479 1.00 0.00 C ATOM 1176 O HIS A 130 -6.727 -10.311 7.645 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.248 -9.685 5.702 1.00 0.00 C ATOM 1178 CG HIS A 130 -4.010 -9.563 4.223 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -4.922 -10.024 3.286 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -2.968 -9.034 3.500 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.418 -9.769 2.066 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.228 -9.165 2.140 1.00 0.00 N ATOM 0 H HIS A 130 -4.317 -7.229 5.937 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.318 -9.188 5.373 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.400 -9.276 6.252 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.333 -10.735 5.981 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -5.815 -10.475 3.486 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -2.082 -8.585 3.923 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -4.914 -10.021 1.140 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.491 -8.627 8.484 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.841 -8.928 9.866 1.00 0.00 C ATOM 1192 C ALA A 131 -7.249 -8.433 10.175 1.00 0.00 C ATOM 1193 O ALA A 131 -8.109 -9.201 10.607 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.843 -8.262 10.816 1.00 0.00 C ATOM 0 H ALA A 131 -4.864 -7.831 8.368 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.806 -10.008 10.006 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.112 -8.492 11.847 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.840 -8.636 10.611 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.865 -7.182 10.668 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.477 -7.145 9.945 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.784 -6.555 10.196 1.00 0.00 C ATOM 1202 C TRP A 132 -9.855 -7.292 9.393 1.00 0.00 C ATOM 1203 O TRP A 132 -10.979 -7.473 9.861 1.00 0.00 O ATOM 1204 CB TRP A 132 -8.761 -5.070 9.817 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.157 -4.578 9.602 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -10.907 -3.933 10.525 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -10.977 -4.678 8.406 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.138 -3.632 9.968 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.229 -4.071 8.662 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.755 -5.233 7.133 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.227 -4.018 7.690 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.760 -5.181 6.152 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -12.993 -4.574 6.429 1.00 0.00 C ATOM 0 H TRP A 132 -6.778 -6.494 9.587 1.00 0.00 H new ATOM 0 HA TRP A 132 -9.022 -6.646 11.256 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.280 -4.492 10.606 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.172 -4.926 8.911 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -10.596 -3.692 11.531 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -12.886 -3.145 10.462 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.808 -5.701 6.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.175 -3.550 7.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.581 -5.612 5.178 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.760 -4.536 5.670 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.497 -7.716 8.185 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.434 -8.434 7.329 1.00 0.00 C ATOM 1226 C LYS A 133 -10.685 -9.836 7.873 1.00 0.00 C ATOM 1227 O LYS A 133 -11.819 -10.311 7.898 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.880 -8.534 5.907 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.927 -9.180 4.991 1.00 0.00 C ATOM 1230 CD LYS A 133 -10.671 -8.760 3.544 1.00 0.00 C ATOM 1231 CE LYS A 133 -9.334 -9.335 3.069 1.00 0.00 C ATOM 1232 NZ LYS A 133 -8.217 -8.549 3.664 1.00 0.00 N ATOM 0 H LYS A 133 -8.572 -7.576 7.779 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.374 -7.883 7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.620 -7.542 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.964 -9.125 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.881 -10.266 5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -11.929 -8.877 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -11.479 -9.115 2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -10.658 -7.673 3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -9.252 -10.382 3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -9.277 -9.302 1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -7.421 -8.517 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -8.541 -7.581 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -7.908 -8.999 4.549 1.00 0.00 H new ATOM 1246 N SER A 134 -9.615 -10.494 8.310 1.00 0.00 N ATOM 1247 CA SER A 134 -9.731 -11.843 8.854 1.00 0.00 C ATOM 1248 C SER A 134 -10.605 -11.838 10.101 1.00 0.00 C ATOM 1249 O SER A 134 -11.265 -12.829 10.415 1.00 0.00 O ATOM 1250 CB SER A 134 -8.345 -12.383 9.205 1.00 0.00 C ATOM 1251 OG SER A 134 -8.474 -13.687 9.752 1.00 0.00 O ATOM 0 H SER A 134 -8.666 -10.119 8.299 1.00 0.00 H new ATOM 0 HA SER A 134 -10.191 -12.483 8.101 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.717 -12.410 8.315 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.855 -11.723 9.921 1.00 0.00 H new ATOM 0 HG SER A 134 -7.587 -14.037 9.977 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.605 -10.713 10.808 1.00 0.00 N ATOM 1258 CA LYS A 135 -11.399 -10.579 12.024 1.00 0.00 C ATOM 1259 C LYS A 135 -12.799 -10.071 11.696 1.00 0.00 C ATOM 1260 O LYS A 135 -13.769 -10.411 12.374 1.00 0.00 O ATOM 1261 CB LYS A 135 -10.707 -9.605 12.984 1.00 0.00 C ATOM 1262 CG LYS A 135 -9.592 -10.334 13.739 1.00 0.00 C ATOM 1263 CD LYS A 135 -8.791 -9.331 14.579 1.00 0.00 C ATOM 1264 CE LYS A 135 -7.684 -8.706 13.725 1.00 0.00 C ATOM 1265 NZ LYS A 135 -6.876 -7.776 14.563 1.00 0.00 N ATOM 0 H LYS A 135 -10.066 -9.883 10.561 1.00 0.00 H new ATOM 0 HA LYS A 135 -11.486 -11.558 12.496 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -10.294 -8.763 12.429 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -11.431 -9.197 13.689 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -10.019 -11.103 14.383 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.933 -10.840 13.033 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -9.452 -8.553 14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -8.356 -9.832 15.444 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -7.046 -9.486 13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -8.119 -8.168 12.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -6.124 -7.351 13.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -7.490 -7.025 14.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -6.450 -8.302 15.352 1.00 0.00 H new