USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 26 CYS SG : rot -145:sc= 0.127 USER MOD Set 1.2: A 28 HIS : no HE2:sc= -1.18 K(o=0.91,f=-0.068) USER MOD Set 1.3: A 30 TYR OH : rot 0:sc=-0.00419 USER MOD Set 1.4: A 51 CYS SG : rot -45:sc= 1.55 USER MOD Set 1.5: A 56 CYS SG : rot -159:sc= 0.416 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 51:sc= -0.886 USER MOD Single : A 13 THR OG1 : rot -171:sc= -0.673 USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00139) USER MOD Single : A 17 MET CE :methyl -171:sc=-0.00404 (180deg=-0.0662) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.18 K(o=-1.2,f=-5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 95:sc= 0.647 USER MOD Single : A 43 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -0.013 (180deg=-0.241) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.58) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.63 K(o=-1.6,f=-4.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 0.994 9.593 7.930 1.00 0.00 N ATOM 67 CA PHE A 8 0.351 8.284 7.968 1.00 0.00 C ATOM 68 C PHE A 8 1.350 7.198 8.355 1.00 0.00 C ATOM 69 O PHE A 8 2.310 6.933 7.630 1.00 0.00 O ATOM 70 CB PHE A 8 -0.272 7.959 6.609 1.00 0.00 C ATOM 71 CG PHE A 8 -1.557 8.691 6.348 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.754 8.225 6.870 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.569 9.846 5.582 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.938 8.897 6.630 1.00 0.00 C ATOM 75 CE2 PHE A 8 -2.750 10.522 5.340 1.00 0.00 C ATOM 76 CZ PHE A 8 -3.936 10.047 5.866 1.00 0.00 C ATOM 0 HA PHE A 8 -0.435 8.315 8.722 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.442 8.204 5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.456 6.886 6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.761 7.327 7.471 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.645 10.222 5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.864 8.523 7.040 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.746 11.420 4.741 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.860 10.574 5.680 1.00 0.00 H new ATOM 86 N THR A 9 1.119 6.572 9.505 1.00 0.00 N ATOM 87 CA THR A 9 1.998 5.516 9.990 1.00 0.00 C ATOM 88 C THR A 9 1.230 4.218 10.210 1.00 0.00 C ATOM 89 O THR A 9 0.082 4.233 10.655 1.00 0.00 O ATOM 90 CB THR A 9 2.688 5.920 11.307 1.00 0.00 C ATOM 91 OG1 THR A 9 2.023 7.052 11.881 1.00 0.00 O ATOM 92 CG2 THR A 9 4.153 6.253 11.071 1.00 0.00 C ATOM 0 H THR A 9 0.330 6.779 10.118 1.00 0.00 H new ATOM 0 HA THR A 9 2.757 5.360 9.223 1.00 0.00 H new ATOM 0 HB THR A 9 2.630 5.077 11.995 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.466 7.302 12.719 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.619 6.535 12.015 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.663 5.381 10.661 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.229 7.082 10.367 1.00 0.00 H new ATOM 100 N CYS A 10 1.870 3.097 9.896 1.00 0.00 N ATOM 101 CA CYS A 10 1.245 1.789 10.060 1.00 0.00 C ATOM 102 C CYS A 10 1.462 1.255 11.472 1.00 0.00 C ATOM 103 O CYS A 10 2.578 1.237 11.990 1.00 0.00 O ATOM 104 CB CYS A 10 1.807 0.801 9.036 1.00 0.00 C ATOM 105 SG CYS A 10 0.833 -0.712 8.859 1.00 0.00 S ATOM 0 H CYS A 10 2.820 3.067 9.527 1.00 0.00 H new ATOM 0 HA CYS A 10 0.173 1.903 9.895 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.870 1.295 8.067 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.824 0.534 9.324 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.415 -0.404 8.667 1.00 0.00 H new ATOM 111 N PRO A 11 0.369 0.812 12.112 1.00 0.00 N ATOM 112 CA PRO A 11 0.414 0.272 13.473 1.00 0.00 C ATOM 113 C PRO A 11 1.119 -1.079 13.538 1.00 0.00 C ATOM 114 O PRO A 11 1.415 -1.584 14.621 1.00 0.00 O ATOM 115 CB PRO A 11 -1.063 0.121 13.844 1.00 0.00 C ATOM 116 CG PRO A 11 -1.768 -0.026 12.540 1.00 0.00 C ATOM 117 CD PRO A 11 -0.994 0.805 11.554 1.00 0.00 C ATOM 0 HA PRO A 11 0.974 0.918 14.149 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.224 -0.748 14.481 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.424 0.990 14.393 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.800 -1.070 12.230 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.800 0.317 12.614 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.017 0.369 10.555 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.400 1.813 11.472 1.00 0.00 H new ATOM 125 N ILE A 12 1.386 -1.658 12.372 1.00 0.00 N ATOM 126 CA ILE A 12 2.059 -2.949 12.298 1.00 0.00 C ATOM 127 C ILE A 12 3.558 -2.777 12.077 1.00 0.00 C ATOM 128 O ILE A 12 4.365 -3.082 12.955 1.00 0.00 O ATOM 129 CB ILE A 12 1.482 -3.820 11.166 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.037 -3.941 11.309 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.131 -5.195 11.172 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.703 -4.621 10.134 1.00 0.00 C ATOM 0 H ILE A 12 1.147 -1.254 11.467 1.00 0.00 H new ATOM 0 HA ILE A 12 1.890 -3.448 13.252 1.00 0.00 H new ATOM 0 HB ILE A 12 1.701 -3.341 10.212 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.265 -4.498 12.218 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.463 -2.945 11.431 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.713 -5.798 10.366 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.206 -5.091 11.026 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.940 -5.683 12.128 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.778 -4.672 10.305 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.506 -4.052 9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.305 -5.630 10.024 1.00 0.00 H new ATOM 144 N THR A 13 3.924 -2.283 10.899 1.00 0.00 N ATOM 145 CA THR A 13 5.326 -2.068 10.563 1.00 0.00 C ATOM 146 C THR A 13 5.913 -0.913 11.365 1.00 0.00 C ATOM 147 O THR A 13 7.131 -0.794 11.503 1.00 0.00 O ATOM 148 CB THR A 13 5.505 -1.778 9.060 1.00 0.00 C ATOM 149 OG1 THR A 13 4.596 -0.752 8.647 1.00 0.00 O ATOM 150 CG2 THR A 13 5.270 -3.034 8.235 1.00 0.00 C ATOM 0 H THR A 13 3.269 -2.024 10.161 1.00 0.00 H new ATOM 0 HA THR A 13 5.856 -2.987 10.814 1.00 0.00 H new ATOM 0 HB THR A 13 6.529 -1.442 8.897 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.614 -0.673 7.670 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.402 -2.805 7.178 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.984 -3.803 8.531 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.256 -3.396 8.404 1.00 0.00 H new ATOM 158 N LYS A 14 5.040 -0.062 11.894 1.00 0.00 N ATOM 159 CA LYS A 14 5.472 1.084 12.686 1.00 0.00 C ATOM 160 C LYS A 14 6.290 2.053 11.839 1.00 0.00 C ATOM 161 O LYS A 14 7.270 2.628 12.310 1.00 0.00 O ATOM 162 CB LYS A 14 6.297 0.618 13.887 1.00 0.00 C ATOM 163 CG LYS A 14 5.685 -0.558 14.627 1.00 0.00 C ATOM 164 CD LYS A 14 4.324 -0.206 15.205 1.00 0.00 C ATOM 165 CE LYS A 14 4.435 0.859 16.285 1.00 0.00 C ATOM 166 NZ LYS A 14 3.877 2.164 15.837 1.00 0.00 N ATOM 0 H LYS A 14 4.029 -0.144 11.789 1.00 0.00 H new ATOM 0 HA LYS A 14 4.583 1.603 13.044 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.295 0.342 13.546 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.416 1.451 14.580 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.585 -1.404 13.948 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.352 -0.871 15.430 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.670 0.149 14.408 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.862 -1.101 15.621 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.907 0.526 17.179 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.481 0.987 16.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.956 2.858 16.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.408 2.503 15.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.876 2.044 15.581 1.00 0.00 H new ATOM 180 N GLU A 15 5.878 2.231 10.587 1.00 0.00 N ATOM 181 CA GLU A 15 6.574 3.132 9.676 1.00 0.00 C ATOM 182 C GLU A 15 5.585 3.855 8.765 1.00 0.00 C ATOM 183 O GLU A 15 4.371 3.736 8.932 1.00 0.00 O ATOM 184 CB GLU A 15 7.588 2.357 8.833 1.00 0.00 C ATOM 185 CG GLU A 15 8.424 1.375 9.636 1.00 0.00 C ATOM 186 CD GLU A 15 9.773 1.100 9.000 1.00 0.00 C ATOM 187 OE1 GLU A 15 10.685 1.939 9.156 1.00 0.00 O ATOM 188 OE2 GLU A 15 9.916 0.046 8.347 1.00 0.00 O ATOM 0 H GLU A 15 5.067 1.764 10.181 1.00 0.00 H new ATOM 0 HA GLU A 15 7.102 3.875 10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.058 1.814 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.252 3.065 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.574 1.769 10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.877 0.438 9.739 1.00 0.00 H new ATOM 195 N GLU A 16 6.114 4.603 7.802 1.00 0.00 N ATOM 196 CA GLU A 16 5.278 5.346 6.866 1.00 0.00 C ATOM 197 C GLU A 16 4.525 4.397 5.939 1.00 0.00 C ATOM 198 O GLU A 16 5.015 3.318 5.606 1.00 0.00 O ATOM 199 CB GLU A 16 6.132 6.312 6.042 1.00 0.00 C ATOM 200 CG GLU A 16 5.389 7.566 5.613 1.00 0.00 C ATOM 201 CD GLU A 16 6.277 8.794 5.599 1.00 0.00 C ATOM 202 OE1 GLU A 16 7.297 8.780 4.879 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.954 9.769 6.309 1.00 0.00 O ATOM 0 H GLU A 16 7.117 4.711 7.649 1.00 0.00 H new ATOM 0 HA GLU A 16 4.550 5.917 7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.006 6.600 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.497 5.795 5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.971 7.413 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.551 7.736 6.289 1.00 0.00 H new ATOM 210 N MET A 17 3.329 4.807 5.527 1.00 0.00 N ATOM 211 CA MET A 17 2.508 3.994 4.637 1.00 0.00 C ATOM 212 C MET A 17 2.487 4.580 3.229 1.00 0.00 C ATOM 213 O MET A 17 2.136 5.744 3.035 1.00 0.00 O ATOM 214 CB MET A 17 1.081 3.889 5.180 1.00 0.00 C ATOM 215 CG MET A 17 1.017 3.537 6.657 1.00 0.00 C ATOM 216 SD MET A 17 -0.504 2.677 7.101 1.00 0.00 S ATOM 217 CE MET A 17 -1.731 3.890 6.619 1.00 0.00 C ATOM 0 H MET A 17 2.908 5.696 5.795 1.00 0.00 H new ATOM 0 HA MET A 17 2.946 2.997 4.589 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.569 4.838 5.019 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.539 3.133 4.611 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.872 2.912 6.915 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.100 4.449 7.248 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.712 3.576 6.975 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.478 4.856 7.056 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.750 3.977 5.533 1.00 0.00 H new ATOM 227 N LYS A 18 2.866 3.766 2.249 1.00 0.00 N ATOM 228 CA LYS A 18 2.890 4.203 0.858 1.00 0.00 C ATOM 229 C LYS A 18 1.665 3.694 0.107 1.00 0.00 C ATOM 230 O LYS A 18 1.163 4.354 -0.804 1.00 0.00 O ATOM 231 CB LYS A 18 4.165 3.710 0.170 1.00 0.00 C ATOM 232 CG LYS A 18 5.422 3.912 0.999 1.00 0.00 C ATOM 233 CD LYS A 18 5.704 2.710 1.885 1.00 0.00 C ATOM 234 CE LYS A 18 7.179 2.341 1.870 1.00 0.00 C ATOM 235 NZ LYS A 18 7.896 2.871 3.062 1.00 0.00 N ATOM 0 H LYS A 18 3.161 2.800 2.393 1.00 0.00 H new ATOM 0 HA LYS A 18 2.875 5.293 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.057 2.650 -0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.279 4.231 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.271 4.085 0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.312 4.803 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.393 2.929 2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.112 1.860 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.282 1.256 1.837 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.642 2.732 0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.898 2.598 3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.820 3.908 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.471 2.478 3.926 1.00 0.00 H new ATOM 249 N LYS A 19 1.186 2.516 0.494 1.00 0.00 N ATOM 250 CA LYS A 19 0.017 1.919 -0.141 1.00 0.00 C ATOM 251 C LYS A 19 -1.065 1.614 0.889 1.00 0.00 C ATOM 252 O LYS A 19 -1.192 0.491 1.379 1.00 0.00 O ATOM 253 CB LYS A 19 0.411 0.637 -0.877 1.00 0.00 C ATOM 254 CG LYS A 19 0.992 0.883 -2.259 1.00 0.00 C ATOM 255 CD LYS A 19 2.177 -0.027 -2.535 1.00 0.00 C ATOM 256 CE LYS A 19 3.122 0.583 -3.558 1.00 0.00 C ATOM 257 NZ LYS A 19 4.183 -0.375 -3.975 1.00 0.00 N ATOM 0 H LYS A 19 1.590 1.956 1.245 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.382 2.636 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.141 0.093 -0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.466 -0.003 -0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.222 0.718 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.304 1.924 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.716 -0.215 -1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.820 -0.991 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.554 0.899 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.584 1.476 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.806 0.079 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.741 -0.658 -3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.744 -1.217 -4.399 1.00 0.00 H new ATOM 271 N PRO A 20 -1.867 2.635 1.227 1.00 0.00 N ATOM 272 CA PRO A 20 -2.954 2.500 2.201 1.00 0.00 C ATOM 273 C PRO A 20 -4.102 1.645 1.673 1.00 0.00 C ATOM 274 O PRO A 20 -4.588 1.858 0.562 1.00 0.00 O ATOM 275 CB PRO A 20 -3.418 3.942 2.418 1.00 0.00 C ATOM 276 CG PRO A 20 -3.039 4.654 1.165 1.00 0.00 C ATOM 277 CD PRO A 20 -1.774 4.001 0.683 1.00 0.00 C ATOM 0 HA PRO A 20 -2.624 2.002 3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.493 3.990 2.591 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.935 4.387 3.288 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.828 4.575 0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.883 5.716 1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.713 3.997 -0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.889 4.520 1.050 1.00 0.00 H new ATOM 285 N VAL A 21 -4.531 0.678 2.477 1.00 0.00 N ATOM 286 CA VAL A 21 -5.624 -0.208 2.092 1.00 0.00 C ATOM 287 C VAL A 21 -6.737 -0.193 3.133 1.00 0.00 C ATOM 288 O VAL A 21 -6.502 -0.449 4.314 1.00 0.00 O ATOM 289 CB VAL A 21 -5.132 -1.655 1.903 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.188 -1.748 0.714 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.457 -2.158 3.170 1.00 0.00 C ATOM 0 H VAL A 21 -4.139 0.488 3.399 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.013 0.163 1.144 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.995 -2.290 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.851 -2.778 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.709 -1.431 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.327 -1.101 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.116 -3.182 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.604 -1.522 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.168 -2.131 3.996 1.00 0.00 H new ATOM 301 N LYS A 22 -7.952 0.109 2.688 1.00 0.00 N ATOM 302 CA LYS A 22 -9.104 0.156 3.580 1.00 0.00 C ATOM 303 C LYS A 22 -9.889 -1.151 3.525 1.00 0.00 C ATOM 304 O LYS A 22 -9.944 -1.809 2.487 1.00 0.00 O ATOM 305 CB LYS A 22 -10.017 1.327 3.206 1.00 0.00 C ATOM 306 CG LYS A 22 -11.346 1.320 3.940 1.00 0.00 C ATOM 307 CD LYS A 22 -12.136 2.591 3.675 1.00 0.00 C ATOM 308 CE LYS A 22 -13.402 2.305 2.883 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.179 3.546 2.611 1.00 0.00 N ATOM 0 H LYS A 22 -8.164 0.325 1.714 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.739 0.298 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.499 2.263 3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.204 1.302 2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.931 0.455 3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.171 1.216 5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.397 3.063 4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.515 3.299 3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.140 1.827 1.939 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.024 1.601 3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.034 3.308 2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.452 3.989 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.594 4.208 2.062 1.00 0.00 H new ATOM 323 N ASN A 23 -10.495 -1.520 4.649 1.00 0.00 N ATOM 324 CA ASN A 23 -11.278 -2.748 4.727 1.00 0.00 C ATOM 325 C ASN A 23 -12.757 -2.466 4.484 1.00 0.00 C ATOM 326 O ASN A 23 -13.242 -1.364 4.741 1.00 0.00 O ATOM 327 CB ASN A 23 -11.091 -3.409 6.094 1.00 0.00 C ATOM 328 CG ASN A 23 -10.895 -4.910 5.988 1.00 0.00 C ATOM 329 OD1 ASN A 23 -10.275 -5.401 5.045 1.00 0.00 O ATOM 330 ND2 ASN A 23 -11.424 -5.645 6.959 1.00 0.00 N ATOM 0 H ASN A 23 -10.459 -0.987 5.518 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.924 -3.426 3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.229 -2.967 6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.961 -3.202 6.717 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.324 -6.660 6.942 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.930 -5.195 7.722 1.00 0.00 H new ATOM 337 N LYS A 24 -13.471 -3.471 3.989 1.00 0.00 N ATOM 338 CA LYS A 24 -14.896 -3.335 3.712 1.00 0.00 C ATOM 339 C LYS A 24 -15.726 -3.702 4.938 1.00 0.00 C ATOM 340 O LYS A 24 -16.868 -3.265 5.081 1.00 0.00 O ATOM 341 CB LYS A 24 -15.294 -4.220 2.529 1.00 0.00 C ATOM 342 CG LYS A 24 -14.335 -4.135 1.355 1.00 0.00 C ATOM 343 CD LYS A 24 -15.065 -3.824 0.059 1.00 0.00 C ATOM 344 CE LYS A 24 -15.484 -2.364 -0.009 1.00 0.00 C ATOM 345 NZ LYS A 24 -16.914 -2.214 -0.395 1.00 0.00 N ATOM 0 H LYS A 24 -13.086 -4.390 3.771 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.094 -2.293 3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.353 -5.255 2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.292 -3.936 2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.590 -3.363 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.798 -5.078 1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.420 -4.058 -0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.946 -4.461 -0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.318 -1.893 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.857 -1.839 -0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.160 -1.204 -0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.067 -2.640 -1.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.515 -2.693 0.306 1.00 0.00 H new ATOM 359 N VAL A 25 -15.145 -4.508 5.821 1.00 0.00 N ATOM 360 CA VAL A 25 -15.829 -4.932 7.036 1.00 0.00 C ATOM 361 C VAL A 25 -15.795 -3.838 8.097 1.00 0.00 C ATOM 362 O VAL A 25 -16.829 -3.277 8.461 1.00 0.00 O ATOM 363 CB VAL A 25 -15.202 -6.214 7.616 1.00 0.00 C ATOM 364 CG1 VAL A 25 -16.045 -6.749 8.763 1.00 0.00 C ATOM 365 CG2 VAL A 25 -15.038 -7.265 6.528 1.00 0.00 C ATOM 0 H VAL A 25 -14.201 -4.881 5.717 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.864 -5.135 6.761 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.214 -5.971 8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.586 -7.655 9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -16.106 -5.998 9.551 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.047 -6.978 8.402 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.594 -8.164 6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.013 -7.507 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.389 -6.877 5.743 1.00 0.00 H new ATOM 375 N CYS A 26 -14.598 -3.537 8.590 1.00 0.00 N ATOM 376 CA CYS A 26 -14.427 -2.509 9.609 1.00 0.00 C ATOM 377 C CYS A 26 -14.369 -1.121 8.978 1.00 0.00 C ATOM 378 O CYS A 26 -15.244 -0.286 9.208 1.00 0.00 O ATOM 379 CB CYS A 26 -13.152 -2.768 10.415 1.00 0.00 C ATOM 380 SG CYS A 26 -12.734 -1.442 11.592 1.00 0.00 S ATOM 0 H CYS A 26 -13.732 -3.991 8.300 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.287 -2.549 10.278 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.265 -3.703 10.963 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.319 -2.902 9.724 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.442 -1.319 11.666 1.00 0.00 H new ATOM 385 N GLY A 27 -13.333 -0.882 8.181 1.00 0.00 N ATOM 386 CA GLY A 27 -13.180 0.406 7.529 1.00 0.00 C ATOM 387 C GLY A 27 -11.828 1.035 7.797 1.00 0.00 C ATOM 388 O GLY A 27 -11.448 2.010 7.147 1.00 0.00 O ATOM 0 H GLY A 27 -12.597 -1.557 7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.314 0.284 6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.965 1.079 7.873 1.00 0.00 H new ATOM 392 N HIS A 28 -11.099 0.479 8.760 1.00 0.00 N ATOM 393 CA HIS A 28 -9.780 0.993 9.114 1.00 0.00 C ATOM 394 C HIS A 28 -8.859 1.012 7.898 1.00 0.00 C ATOM 395 O HIS A 28 -9.243 0.584 6.808 1.00 0.00 O ATOM 396 CB HIS A 28 -9.161 0.145 10.225 1.00 0.00 C ATOM 397 CG HIS A 28 -9.411 0.683 11.600 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.682 -0.122 12.686 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.427 1.955 12.063 1.00 0.00 C ATOM 400 CE1 HIS A 28 -9.856 0.631 13.757 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.707 1.895 13.406 1.00 0.00 N ATOM 0 H HIS A 28 -11.399 -0.327 9.309 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.900 2.016 9.472 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.559 -0.868 10.162 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.086 0.075 10.061 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -9.739 -1.140 12.666 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.252 2.850 11.484 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.082 0.274 14.751 1.00 0.00 H new ATOM 409 N THR A 29 -7.642 1.511 8.090 1.00 0.00 N ATOM 410 CA THR A 29 -6.668 1.587 7.009 1.00 0.00 C ATOM 411 C THR A 29 -5.305 1.074 7.461 1.00 0.00 C ATOM 412 O THR A 29 -4.865 1.351 8.577 1.00 0.00 O ATOM 413 CB THR A 29 -6.515 3.029 6.491 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.353 3.912 7.245 1.00 0.00 O ATOM 415 CG2 THR A 29 -6.877 3.115 5.016 1.00 0.00 C ATOM 0 H THR A 29 -7.308 1.869 8.985 1.00 0.00 H new ATOM 0 HA THR A 29 -7.041 0.957 6.202 1.00 0.00 H new ATOM 0 HB THR A 29 -5.473 3.326 6.611 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.249 4.827 6.911 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.761 4.143 4.672 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.218 2.464 4.441 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.911 2.800 4.876 1.00 0.00 H new ATOM 423 N TYR A 30 -4.640 0.327 6.587 1.00 0.00 N ATOM 424 CA TYR A 30 -3.327 -0.226 6.897 1.00 0.00 C ATOM 425 C TYR A 30 -2.420 -0.196 5.671 1.00 0.00 C ATOM 426 O TYR A 30 -2.837 0.209 4.586 1.00 0.00 O ATOM 427 CB TYR A 30 -3.462 -1.660 7.410 1.00 0.00 C ATOM 428 CG TYR A 30 -4.677 -1.879 8.283 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.731 -1.368 9.574 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.772 -2.596 7.816 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.839 -1.566 10.375 1.00 0.00 C ATOM 432 CE2 TYR A 30 -6.885 -2.798 8.610 1.00 0.00 C ATOM 433 CZ TYR A 30 -6.913 -2.281 9.888 1.00 0.00 C ATOM 434 OH TYR A 30 -8.019 -2.479 10.683 1.00 0.00 O ATOM 0 H TYR A 30 -4.989 0.090 5.658 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.876 0.390 7.675 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.510 -2.339 6.558 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.567 -1.921 7.975 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.892 -0.806 9.958 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.753 -3.002 6.816 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.864 -1.163 11.377 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.728 -3.357 8.232 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.878 -2.050 11.553 1.00 0.00 H new ATOM 444 N GLU A 31 -1.176 -0.629 5.852 1.00 0.00 N ATOM 445 CA GLU A 31 -0.209 -0.652 4.760 1.00 0.00 C ATOM 446 C GLU A 31 -0.309 -1.955 3.973 1.00 0.00 C ATOM 447 O GLU A 31 -0.619 -3.007 4.531 1.00 0.00 O ATOM 448 CB GLU A 31 1.211 -0.479 5.304 1.00 0.00 C ATOM 449 CG GLU A 31 2.294 -0.737 4.270 1.00 0.00 C ATOM 450 CD GLU A 31 3.537 0.098 4.506 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.910 0.285 5.683 1.00 0.00 O ATOM 452 OE2 GLU A 31 4.137 0.564 3.515 1.00 0.00 O ATOM 0 H GLU A 31 -0.814 -0.968 6.743 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.437 0.176 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.322 0.534 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.354 -1.158 6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.562 -1.793 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.901 -0.523 3.276 1.00 0.00 H new ATOM 459 N GLU A 32 -0.044 -1.876 2.672 1.00 0.00 N ATOM 460 CA GLU A 32 -0.105 -3.048 1.808 1.00 0.00 C ATOM 461 C GLU A 32 0.779 -4.169 2.348 1.00 0.00 C ATOM 462 O GLU A 32 0.283 -5.205 2.792 1.00 0.00 O ATOM 463 CB GLU A 32 0.327 -2.684 0.386 1.00 0.00 C ATOM 464 CG GLU A 32 -0.146 -3.673 -0.666 1.00 0.00 C ATOM 465 CD GLU A 32 0.205 -3.239 -2.076 1.00 0.00 C ATOM 466 OE1 GLU A 32 -0.320 -2.197 -2.523 1.00 0.00 O ATOM 467 OE2 GLU A 32 1.004 -3.939 -2.731 1.00 0.00 O ATOM 0 H GLU A 32 0.215 -1.013 2.194 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.137 -3.399 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.058 -1.694 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.415 -2.621 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.300 -4.648 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.226 -3.794 -0.586 1.00 0.00 H new ATOM 474 N ASP A 33 2.089 -3.954 2.306 1.00 0.00 N ATOM 475 CA ASP A 33 3.042 -4.945 2.791 1.00 0.00 C ATOM 476 C ASP A 33 2.676 -5.409 4.197 1.00 0.00 C ATOM 477 O ASP A 33 2.949 -6.547 4.576 1.00 0.00 O ATOM 478 CB ASP A 33 4.458 -4.367 2.784 1.00 0.00 C ATOM 479 CG ASP A 33 4.984 -4.140 1.380 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.381 -4.675 0.426 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.998 -3.426 1.235 1.00 0.00 O ATOM 0 H ASP A 33 2.515 -3.102 1.941 1.00 0.00 H new ATOM 0 HA ASP A 33 3.005 -5.806 2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.464 -3.423 3.328 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.127 -5.045 3.314 1.00 0.00 H new ATOM 486 N ALA A 34 2.057 -4.519 4.966 1.00 0.00 N ATOM 487 CA ALA A 34 1.652 -4.837 6.329 1.00 0.00 C ATOM 488 C ALA A 34 0.521 -5.860 6.342 1.00 0.00 C ATOM 489 O ALA A 34 0.675 -6.963 6.866 1.00 0.00 O ATOM 490 CB ALA A 34 1.231 -3.573 7.064 1.00 0.00 C ATOM 0 H ALA A 34 1.825 -3.572 4.668 1.00 0.00 H new ATOM 0 HA ALA A 34 2.508 -5.274 6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.931 -3.826 8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.067 -2.875 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.392 -3.111 6.543 1.00 0.00 H new ATOM 496 N ILE A 35 -0.615 -5.485 5.762 1.00 0.00 N ATOM 497 CA ILE A 35 -1.772 -6.371 5.707 1.00 0.00 C ATOM 498 C ILE A 35 -1.469 -7.620 4.886 1.00 0.00 C ATOM 499 O ILE A 35 -2.142 -8.642 5.019 1.00 0.00 O ATOM 500 CB ILE A 35 -2.997 -5.659 5.105 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.253 -6.513 5.291 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.766 -5.361 3.631 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.604 -6.763 6.741 1.00 0.00 C ATOM 0 H ILE A 35 -0.759 -4.575 5.324 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.998 -6.660 6.733 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.142 -4.714 5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.093 -6.020 4.802 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.109 -7.470 4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.641 -4.858 3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.893 -4.718 3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.598 -6.294 3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.504 -7.375 6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.781 -7.284 7.230 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.780 -5.811 7.242 1.00 0.00 H new ATOM 515 N VAL A 36 -0.450 -7.530 4.036 1.00 0.00 N ATOM 516 CA VAL A 36 -0.056 -8.653 3.195 1.00 0.00 C ATOM 517 C VAL A 36 0.882 -9.596 3.940 1.00 0.00 C ATOM 518 O VAL A 36 0.797 -10.816 3.796 1.00 0.00 O ATOM 519 CB VAL A 36 0.636 -8.173 1.905 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.224 -9.351 1.143 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.341 -7.398 1.034 1.00 0.00 C ATOM 0 H VAL A 36 0.117 -6.691 3.912 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.970 -9.186 2.932 1.00 0.00 H new ATOM 0 HB VAL A 36 1.453 -7.505 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.708 -8.992 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.957 -9.860 1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.428 -10.047 0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.164 -7.066 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.180 -8.041 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.708 -6.531 1.582 1.00 0.00 H new ATOM 531 N ARG A 37 1.776 -9.023 4.739 1.00 0.00 N ATOM 532 CA ARG A 37 2.731 -9.812 5.507 1.00 0.00 C ATOM 533 C ARG A 37 2.091 -10.348 6.784 1.00 0.00 C ATOM 534 O ARG A 37 2.522 -11.365 7.327 1.00 0.00 O ATOM 535 CB ARG A 37 3.959 -8.968 5.855 1.00 0.00 C ATOM 536 CG ARG A 37 3.728 -8.001 7.004 1.00 0.00 C ATOM 537 CD ARG A 37 4.979 -7.194 7.314 1.00 0.00 C ATOM 538 NE ARG A 37 5.828 -7.858 8.300 1.00 0.00 N ATOM 539 CZ ARG A 37 6.961 -7.341 8.761 1.00 0.00 C ATOM 540 NH1 ARG A 37 7.379 -6.159 8.328 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.679 -8.006 9.658 1.00 0.00 N ATOM 0 H ARG A 37 1.859 -8.015 4.871 1.00 0.00 H new ATOM 0 HA ARG A 37 3.042 -10.658 4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.785 -9.632 6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.264 -8.405 4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.911 -7.325 6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.422 -8.555 7.891 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.545 -7.036 6.396 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.693 -6.210 7.686 1.00 0.00 H new ATOM 0 HE ARG A 37 5.535 -8.769 8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.830 -5.645 7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.250 -5.764 8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.361 -8.915 9.994 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.549 -7.608 10.011 1.00 0.00 H new ATOM 555 N MET A 38 1.060 -9.656 7.259 1.00 0.00 N ATOM 556 CA MET A 38 0.360 -10.063 8.472 1.00 0.00 C ATOM 557 C MET A 38 -0.514 -11.286 8.210 1.00 0.00 C ATOM 558 O MET A 38 -0.364 -12.318 8.865 1.00 0.00 O ATOM 559 CB MET A 38 -0.498 -8.913 9.001 1.00 0.00 C ATOM 560 CG MET A 38 -1.422 -9.317 10.139 1.00 0.00 C ATOM 561 SD MET A 38 -3.165 -9.215 9.688 1.00 0.00 S ATOM 562 CE MET A 38 -3.553 -7.547 10.210 1.00 0.00 C ATOM 0 H MET A 38 0.691 -8.811 6.822 1.00 0.00 H new ATOM 0 HA MET A 38 1.106 -10.325 9.222 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.156 -8.110 9.342 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.096 -8.511 8.183 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.189 -10.337 10.446 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.235 -8.674 10.999 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.600 -7.333 9.997 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.374 -7.450 11.281 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.922 -6.841 9.671 1.00 0.00 H new ATOM 572 N ILE A 39 -1.425 -11.162 7.251 1.00 0.00 N ATOM 573 CA ILE A 39 -2.321 -12.258 6.904 1.00 0.00 C ATOM 574 C ILE A 39 -1.539 -13.524 6.573 1.00 0.00 C ATOM 575 O ILE A 39 -1.865 -14.609 7.053 1.00 0.00 O ATOM 576 CB ILE A 39 -3.218 -11.894 5.706 1.00 0.00 C ATOM 577 CG1 ILE A 39 -4.043 -10.644 6.019 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.128 -13.060 5.351 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.684 -10.021 4.799 1.00 0.00 C ATOM 0 H ILE A 39 -1.562 -10.314 6.701 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.949 -12.440 7.776 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.582 -11.681 4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.822 -10.903 6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.401 -9.906 6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.755 -12.787 4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.522 -13.928 5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.759 -13.302 6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.253 -9.140 5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.909 -9.730 4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.353 -10.743 4.330 1.00 0.00 H new ATOM 591 N GLU A 40 -0.505 -13.377 5.751 1.00 0.00 N ATOM 592 CA GLU A 40 0.324 -14.509 5.357 1.00 0.00 C ATOM 593 C GLU A 40 1.049 -15.099 6.564 1.00 0.00 C ATOM 594 O GLU A 40 1.166 -16.317 6.697 1.00 0.00 O ATOM 595 CB GLU A 40 1.341 -14.081 4.297 1.00 0.00 C ATOM 596 CG GLU A 40 0.759 -13.992 2.896 1.00 0.00 C ATOM 597 CD GLU A 40 1.578 -14.758 1.874 1.00 0.00 C ATOM 598 OE1 GLU A 40 2.823 -14.682 1.935 1.00 0.00 O ATOM 599 OE2 GLU A 40 0.974 -15.433 1.015 1.00 0.00 O ATOM 0 H GLU A 40 -0.222 -12.485 5.345 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.328 -15.274 4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.753 -13.110 4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.169 -14.790 4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.260 -14.380 2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.699 -12.945 2.597 1.00 0.00 H new ATOM 606 N SER A 41 1.534 -14.225 7.440 1.00 0.00 N ATOM 607 CA SER A 41 2.251 -14.658 8.634 1.00 0.00 C ATOM 608 C SER A 41 1.316 -15.382 9.597 1.00 0.00 C ATOM 609 O SER A 41 1.708 -16.347 10.253 1.00 0.00 O ATOM 610 CB SER A 41 2.892 -13.457 9.333 1.00 0.00 C ATOM 611 OG SER A 41 4.133 -13.123 8.737 1.00 0.00 O ATOM 0 H SER A 41 1.444 -13.213 7.346 1.00 0.00 H new ATOM 0 HA SER A 41 3.034 -15.351 8.326 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.219 -12.601 9.283 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.041 -13.684 10.389 1.00 0.00 H new ATOM 0 HG SER A 41 3.995 -12.422 8.066 1.00 0.00 H new ATOM 617 N ARG A 42 0.076 -14.909 9.676 1.00 0.00 N ATOM 618 CA ARG A 42 -0.916 -15.509 10.559 1.00 0.00 C ATOM 619 C ARG A 42 -1.309 -16.900 10.070 1.00 0.00 C ATOM 620 O ARG A 42 -1.295 -17.864 10.835 1.00 0.00 O ATOM 621 CB ARG A 42 -2.157 -14.618 10.648 1.00 0.00 C ATOM 622 CG ARG A 42 -1.867 -13.222 11.174 1.00 0.00 C ATOM 623 CD ARG A 42 -2.251 -13.088 12.639 1.00 0.00 C ATOM 624 NE ARG A 42 -1.549 -11.985 13.290 1.00 0.00 N ATOM 625 CZ ARG A 42 -0.245 -11.992 13.543 1.00 0.00 C ATOM 626 NH1 ARG A 42 0.495 -13.037 13.201 1.00 0.00 N ATOM 627 NH2 ARG A 42 0.322 -10.950 14.139 1.00 0.00 N ATOM 0 H ARG A 42 -0.265 -14.112 9.139 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.473 -15.603 11.551 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.608 -14.538 9.659 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.892 -15.096 11.296 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.807 -12.999 11.053 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.416 -12.488 10.584 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.327 -12.931 12.719 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.026 -14.019 13.159 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.089 -11.165 13.565 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.063 -13.839 12.742 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.496 -13.039 13.397 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.244 -10.143 14.403 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.323 -10.956 14.333 1.00 0.00 H new ATOM 641 N GLN A 43 -1.659 -16.994 8.791 1.00 0.00 N ATOM 642 CA GLN A 43 -2.057 -18.267 8.201 1.00 0.00 C ATOM 643 C GLN A 43 -1.013 -19.344 8.473 1.00 0.00 C ATOM 644 O GLN A 43 -1.342 -20.521 8.619 1.00 0.00 O ATOM 645 CB GLN A 43 -2.265 -18.111 6.693 1.00 0.00 C ATOM 646 CG GLN A 43 -3.728 -18.077 6.281 1.00 0.00 C ATOM 647 CD GLN A 43 -4.240 -19.432 5.834 1.00 0.00 C ATOM 648 OE1 GLN A 43 -3.543 -20.441 5.951 1.00 0.00 O ATOM 649 NE2 GLN A 43 -5.463 -19.463 5.318 1.00 0.00 N ATOM 0 H GLN A 43 -1.675 -16.205 8.144 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.996 -18.574 8.661 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.781 -17.192 6.361 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.770 -18.935 6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.329 -17.724 7.119 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.857 -17.359 5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -6.006 -18.603 5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.860 -20.347 5.000 1.00 0.00 H new ATOM 658 N LYS A 44 0.249 -18.933 8.541 1.00 0.00 N ATOM 659 CA LYS A 44 1.344 -19.862 8.797 1.00 0.00 C ATOM 660 C LYS A 44 1.152 -20.575 10.132 1.00 0.00 C ATOM 661 O LYS A 44 1.408 -21.773 10.249 1.00 0.00 O ATOM 662 CB LYS A 44 2.682 -19.120 8.791 1.00 0.00 C ATOM 663 CG LYS A 44 3.045 -18.530 7.439 1.00 0.00 C ATOM 664 CD LYS A 44 4.083 -19.377 6.722 1.00 0.00 C ATOM 665 CE LYS A 44 4.872 -18.556 5.714 1.00 0.00 C ATOM 666 NZ LYS A 44 6.340 -18.670 5.934 1.00 0.00 N ATOM 0 H LYS A 44 0.539 -17.962 8.422 1.00 0.00 H new ATOM 0 HA LYS A 44 1.346 -20.609 8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.647 -18.319 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.470 -19.806 9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.149 -18.452 6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.429 -17.519 7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.765 -19.813 7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.590 -20.205 6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.629 -18.889 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.574 -17.510 5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.843 -18.096 5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.576 -18.329 6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.629 -19.665 5.841 1.00 0.00 H new ATOM 680 N ARG A 45 0.698 -19.830 11.135 1.00 0.00 N ATOM 681 CA ARG A 45 0.471 -20.391 12.461 1.00 0.00 C ATOM 682 C ARG A 45 -1.011 -20.678 12.685 1.00 0.00 C ATOM 683 O ARG A 45 -1.485 -20.706 13.820 1.00 0.00 O ATOM 684 CB ARG A 45 0.984 -19.434 13.538 1.00 0.00 C ATOM 685 CG ARG A 45 2.053 -20.040 14.433 1.00 0.00 C ATOM 686 CD ARG A 45 1.938 -19.530 15.861 1.00 0.00 C ATOM 687 NE ARG A 45 2.729 -20.330 16.793 1.00 0.00 N ATOM 688 CZ ARG A 45 2.841 -20.054 18.087 1.00 0.00 C ATOM 689 NH1 ARG A 45 2.216 -19.003 18.601 1.00 0.00 N ATOM 690 NH2 ARG A 45 3.580 -20.829 18.871 1.00 0.00 N ATOM 0 H ARG A 45 0.480 -18.837 11.054 1.00 0.00 H new ATOM 0 HA ARG A 45 1.019 -21.331 12.528 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.387 -18.542 13.058 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.145 -19.112 14.155 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.963 -21.126 14.425 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.040 -19.799 14.038 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.268 -18.492 15.903 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.892 -19.544 16.168 1.00 0.00 H new ATOM 0 HE ARG A 45 3.222 -21.145 16.430 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.648 -18.404 18.002 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.304 -18.793 19.595 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.063 -21.638 18.480 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.665 -20.616 19.865 1.00 0.00 H new ATOM 704 N LYS A 46 -1.738 -20.889 11.593 1.00 0.00 N ATOM 705 CA LYS A 46 -3.166 -21.174 11.667 1.00 0.00 C ATOM 706 C LYS A 46 -3.905 -20.063 12.408 1.00 0.00 C ATOM 707 O LYS A 46 -4.967 -20.289 12.987 1.00 0.00 O ATOM 708 CB LYS A 46 -3.404 -22.514 12.368 1.00 0.00 C ATOM 709 CG LYS A 46 -3.167 -23.718 11.473 1.00 0.00 C ATOM 710 CD LYS A 46 -4.048 -24.891 11.871 1.00 0.00 C ATOM 711 CE LYS A 46 -3.312 -25.852 12.792 1.00 0.00 C ATOM 712 NZ LYS A 46 -3.667 -27.271 12.511 1.00 0.00 N ATOM 0 H LYS A 46 -1.361 -20.868 10.645 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.553 -21.229 10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.748 -22.582 13.236 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.428 -22.544 12.739 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.367 -23.447 10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.119 -24.013 11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.944 -24.522 12.369 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.376 -25.421 10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.237 -25.716 12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.551 -25.616 13.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.145 -27.894 13.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.689 -27.407 12.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.415 -27.504 11.529 1.00 0.00 H new ATOM 726 N LYS A 47 -3.336 -18.863 12.384 1.00 0.00 N ATOM 727 CA LYS A 47 -3.941 -17.716 13.050 1.00 0.00 C ATOM 728 C LYS A 47 -4.939 -17.017 12.132 1.00 0.00 C ATOM 729 O LYS A 47 -5.175 -17.455 11.006 1.00 0.00 O ATOM 730 CB LYS A 47 -2.859 -16.727 13.492 1.00 0.00 C ATOM 731 CG LYS A 47 -2.631 -16.706 14.993 1.00 0.00 C ATOM 732 CD LYS A 47 -2.007 -15.395 15.444 1.00 0.00 C ATOM 733 CE LYS A 47 -0.543 -15.307 15.041 1.00 0.00 C ATOM 734 NZ LYS A 47 0.297 -16.286 15.785 1.00 0.00 N ATOM 0 H LYS A 47 -2.456 -18.659 11.910 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.475 -18.078 13.929 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.923 -16.979 12.994 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.136 -15.726 13.161 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.580 -16.855 15.508 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.982 -17.535 15.275 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.556 -14.560 15.008 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.094 -15.303 16.527 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.450 -15.488 13.970 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.175 -14.298 15.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.298 -16.014 15.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.016 -16.294 16.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.165 -17.235 15.381 1.00 0.00 H new ATOM 748 N LYS A 48 -5.521 -15.927 12.620 1.00 0.00 N ATOM 749 CA LYS A 48 -6.492 -15.165 11.842 1.00 0.00 C ATOM 750 C LYS A 48 -6.151 -13.678 11.853 1.00 0.00 C ATOM 751 O LYS A 48 -5.615 -13.162 12.834 1.00 0.00 O ATOM 752 CB LYS A 48 -7.902 -15.380 12.397 1.00 0.00 C ATOM 753 CG LYS A 48 -8.165 -14.634 13.694 1.00 0.00 C ATOM 754 CD LYS A 48 -8.899 -15.505 14.699 1.00 0.00 C ATOM 755 CE LYS A 48 -7.961 -16.503 15.361 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.707 -17.553 16.109 1.00 0.00 N ATOM 0 H LYS A 48 -5.338 -15.551 13.550 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.455 -15.521 10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.630 -15.062 11.651 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.060 -16.446 12.562 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.219 -14.301 14.122 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.753 -13.740 13.488 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.359 -14.875 15.461 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.706 -16.040 14.198 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.336 -16.973 14.602 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.293 -15.977 16.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.033 -18.214 16.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.284 -17.107 16.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.326 -18.072 15.454 1.00 0.00 H new ATOM 770 N ALA A 49 -6.466 -12.995 10.758 1.00 0.00 N ATOM 771 CA ALA A 49 -6.196 -11.567 10.644 1.00 0.00 C ATOM 772 C ALA A 49 -7.228 -10.750 11.414 1.00 0.00 C ATOM 773 O ALA A 49 -8.428 -10.844 11.155 1.00 0.00 O ATOM 774 CB ALA A 49 -6.175 -11.150 9.181 1.00 0.00 C ATOM 0 H ALA A 49 -6.909 -13.407 9.937 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.217 -11.371 11.081 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.972 -10.081 9.110 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.396 -11.703 8.656 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.142 -11.367 8.727 1.00 0.00 H new ATOM 780 N TYR A 50 -6.753 -9.951 12.363 1.00 0.00 N ATOM 781 CA TYR A 50 -7.635 -9.120 13.174 1.00 0.00 C ATOM 782 C TYR A 50 -7.216 -7.654 13.107 1.00 0.00 C ATOM 783 O TYR A 50 -6.061 -7.339 12.820 1.00 0.00 O ATOM 784 CB TYR A 50 -7.628 -9.598 14.627 1.00 0.00 C ATOM 785 CG TYR A 50 -6.243 -9.887 15.162 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.470 -8.879 15.724 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.710 -11.169 15.107 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.204 -9.139 16.213 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.446 -11.438 15.596 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.697 -10.420 16.147 1.00 0.00 C ATOM 791 OH TYR A 50 -2.437 -10.683 16.635 1.00 0.00 O ATOM 0 H TYR A 50 -5.763 -9.861 12.590 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.645 -9.209 12.774 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.099 -8.840 15.253 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.235 -10.500 14.707 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.865 -7.875 15.780 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.293 -11.969 14.675 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.615 -8.343 16.645 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.047 -12.440 15.547 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.231 -11.633 16.514 1.00 0.00 H new ATOM 801 N CYS A 51 -8.163 -6.762 13.376 1.00 0.00 N ATOM 802 CA CYS A 51 -7.895 -5.329 13.347 1.00 0.00 C ATOM 803 C CYS A 51 -6.669 -4.988 14.188 1.00 0.00 C ATOM 804 O CYS A 51 -6.718 -4.955 15.418 1.00 0.00 O ATOM 805 CB CYS A 51 -9.110 -4.552 13.858 1.00 0.00 C ATOM 806 SG CYS A 51 -10.117 -3.797 12.541 1.00 0.00 S ATOM 0 H CYS A 51 -9.124 -7.006 13.617 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.696 -5.042 12.314 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.739 -5.225 14.441 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.769 -3.768 14.534 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.337 -3.221 11.675 1.00 0.00 H new ATOM 811 N PRO A 52 -5.541 -4.729 13.511 1.00 0.00 N ATOM 812 CA PRO A 52 -4.280 -4.385 14.175 1.00 0.00 C ATOM 813 C PRO A 52 -4.324 -3.006 14.824 1.00 0.00 C ATOM 814 O PRO A 52 -3.446 -2.652 15.611 1.00 0.00 O ATOM 815 CB PRO A 52 -3.260 -4.406 13.034 1.00 0.00 C ATOM 816 CG PRO A 52 -4.059 -4.132 11.807 1.00 0.00 C ATOM 817 CD PRO A 52 -5.409 -4.750 12.045 1.00 0.00 C ATOM 0 HA PRO A 52 -4.046 -5.074 14.987 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.487 -3.651 13.180 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.756 -5.370 12.971 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.146 -3.060 11.630 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.582 -4.563 10.927 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.203 -4.180 11.562 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.461 -5.765 11.651 1.00 0.00 H new ATOM 825 N GLN A 53 -5.351 -2.232 14.489 1.00 0.00 N ATOM 826 CA GLN A 53 -5.508 -0.891 15.040 1.00 0.00 C ATOM 827 C GLN A 53 -5.799 -0.948 16.536 1.00 0.00 C ATOM 828 O GLN A 53 -6.915 -1.265 16.950 1.00 0.00 O ATOM 829 CB GLN A 53 -6.634 -0.148 14.317 1.00 0.00 C ATOM 830 CG GLN A 53 -6.403 1.351 14.210 1.00 0.00 C ATOM 831 CD GLN A 53 -5.121 1.693 13.477 1.00 0.00 C ATOM 832 OE1 GLN A 53 -5.016 1.505 12.265 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.136 2.199 14.211 1.00 0.00 N ATOM 0 H GLN A 53 -6.086 -2.510 13.839 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.572 -0.352 14.891 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.747 -0.562 13.315 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.572 -0.326 14.843 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.246 1.809 13.692 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.371 1.782 15.211 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.266 2.338 15.213 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.249 2.448 13.772 1.00 0.00 H new ATOM 842 N ILE A 54 -4.790 -0.638 17.342 1.00 0.00 N ATOM 843 CA ILE A 54 -4.938 -0.653 18.792 1.00 0.00 C ATOM 844 C ILE A 54 -6.148 0.166 19.230 1.00 0.00 C ATOM 845 O ILE A 54 -6.111 1.395 19.228 1.00 0.00 O ATOM 846 CB ILE A 54 -3.681 -0.105 19.493 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.452 -0.930 19.103 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.871 -0.110 21.002 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.140 -0.251 19.427 1.00 0.00 C ATOM 0 H ILE A 54 -3.861 -0.373 17.016 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.081 -1.694 19.083 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.523 0.924 19.170 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.491 -1.890 19.617 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.489 -1.139 18.034 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.974 0.280 21.483 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.724 0.516 21.263 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.051 -1.130 21.343 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.313 -0.893 19.123 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.079 0.697 18.892 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.081 -0.066 20.500 1.00 0.00 H new ATOM 861 N GLY A 55 -7.219 -0.526 19.606 1.00 0.00 N ATOM 862 CA GLY A 55 -8.425 0.154 20.043 1.00 0.00 C ATOM 863 C GLY A 55 -9.681 -0.460 19.457 1.00 0.00 C ATOM 864 O GLY A 55 -10.778 -0.266 19.980 1.00 0.00 O ATOM 0 H GLY A 55 -7.273 -1.544 19.616 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.482 0.122 21.131 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.370 1.204 19.757 1.00 0.00 H new ATOM 868 N CYS A 56 -9.522 -1.202 18.366 1.00 0.00 N ATOM 869 CA CYS A 56 -10.651 -1.845 17.706 1.00 0.00 C ATOM 870 C CYS A 56 -10.966 -3.191 18.354 1.00 0.00 C ATOM 871 O CYS A 56 -10.077 -3.861 18.880 1.00 0.00 O ATOM 872 CB CYS A 56 -10.356 -2.039 16.218 1.00 0.00 C ATOM 873 SG CYS A 56 -11.820 -1.886 15.144 1.00 0.00 S ATOM 0 H CYS A 56 -8.621 -1.373 17.920 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.521 -1.197 17.815 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.612 -1.305 15.907 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.913 -3.024 16.072 1.00 0.00 H new ATOM 0 HG CYS A 56 -11.595 -2.489 14.015 1.00 0.00 H new ATOM 878 N SER A 57 -12.236 -3.580 18.310 1.00 0.00 N ATOM 879 CA SER A 57 -12.669 -4.843 18.895 1.00 0.00 C ATOM 880 C SER A 57 -12.785 -5.925 17.825 1.00 0.00 C ATOM 881 O SER A 57 -12.689 -7.117 18.119 1.00 0.00 O ATOM 882 CB SER A 57 -14.012 -4.667 19.606 1.00 0.00 C ATOM 883 OG SER A 57 -14.332 -5.809 20.382 1.00 0.00 O ATOM 0 H SER A 57 -12.983 -3.038 17.875 1.00 0.00 H new ATOM 0 HA SER A 57 -11.919 -5.154 19.623 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.975 -3.786 20.247 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.797 -4.492 18.870 1.00 0.00 H new ATOM 0 HG SER A 57 -15.194 -5.671 20.827 1.00 0.00 H new ATOM 889 N HIS A 58 -12.993 -5.501 16.583 1.00 0.00 N ATOM 890 CA HIS A 58 -13.122 -6.432 15.468 1.00 0.00 C ATOM 891 C HIS A 58 -11.942 -7.398 15.428 1.00 0.00 C ATOM 892 O HIS A 58 -10.858 -7.093 15.927 1.00 0.00 O ATOM 893 CB HIS A 58 -13.216 -5.669 14.146 1.00 0.00 C ATOM 894 CG HIS A 58 -13.818 -6.471 13.033 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.079 -7.024 13.101 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.324 -6.810 11.820 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.335 -7.670 11.977 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.286 -7.555 11.183 1.00 0.00 N ATOM 0 H HIS A 58 -13.076 -4.518 16.323 1.00 0.00 H new ATOM 0 HA HIS A 58 -14.036 -7.008 15.612 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.811 -4.769 14.297 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.218 -5.345 13.851 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.715 -6.947 13.895 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.354 -6.544 11.426 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.247 -8.201 11.747 1.00 0.00 H new ATOM 906 N THR A 59 -12.159 -8.566 14.831 1.00 0.00 N ATOM 907 CA THR A 59 -11.115 -9.578 14.727 1.00 0.00 C ATOM 908 C THR A 59 -11.354 -10.494 13.533 1.00 0.00 C ATOM 909 O THR A 59 -11.051 -11.686 13.583 1.00 0.00 O ATOM 910 CB THR A 59 -11.032 -10.432 16.006 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.348 -10.784 16.447 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.305 -9.681 17.112 1.00 0.00 C ATOM 0 H THR A 59 -13.049 -8.835 14.412 1.00 0.00 H new ATOM 0 HA THR A 59 -10.173 -9.047 14.591 1.00 0.00 H new ATOM 0 HB THR A 59 -10.472 -11.338 15.775 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.286 -11.328 17.260 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.259 -10.304 18.005 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.294 -9.441 16.785 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.841 -8.760 17.340 1.00 0.00 H new ATOM 920 N ASP A 60 -11.897 -9.930 12.459 1.00 0.00 N ATOM 921 CA ASP A 60 -12.174 -10.696 11.250 1.00 0.00 C ATOM 922 C ASP A 60 -11.800 -9.900 10.004 1.00 0.00 C ATOM 923 O ASP A 60 -12.556 -9.036 9.558 1.00 0.00 O ATOM 924 CB ASP A 60 -13.652 -11.087 11.196 1.00 0.00 C ATOM 925 CG ASP A 60 -13.910 -12.247 10.256 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.719 -12.074 9.034 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.304 -13.329 10.741 1.00 0.00 O ATOM 0 H ASP A 60 -12.154 -8.945 12.402 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.567 -11.601 11.276 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.991 -11.352 12.197 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.241 -10.227 10.877 1.00 0.00 H new ATOM 932 N ILE A 61 -10.630 -10.195 9.449 1.00 0.00 N ATOM 933 CA ILE A 61 -10.156 -9.507 8.255 1.00 0.00 C ATOM 934 C ILE A 61 -9.777 -10.500 7.161 1.00 0.00 C ATOM 935 O ILE A 61 -9.054 -11.465 7.409 1.00 0.00 O ATOM 936 CB ILE A 61 -8.940 -8.614 8.565 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.292 -7.594 9.650 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.465 -7.910 7.303 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.120 -6.740 10.080 1.00 0.00 C ATOM 0 H ILE A 61 -9.992 -10.906 9.807 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.977 -8.881 7.906 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.130 -9.243 8.934 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.088 -6.946 9.283 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.685 -8.121 10.519 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.605 -7.283 7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.180 -8.652 6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.269 -7.290 6.908 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.443 -6.040 10.851 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.331 -7.378 10.477 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.740 -6.185 9.222 1.00 0.00 H new ATOM 951 N ARG A 62 -10.269 -10.256 5.951 1.00 0.00 N ATOM 952 CA ARG A 62 -9.982 -11.129 4.819 1.00 0.00 C ATOM 953 C ARG A 62 -9.360 -10.341 3.670 1.00 0.00 C ATOM 954 O ARG A 62 -9.754 -9.208 3.394 1.00 0.00 O ATOM 955 CB ARG A 62 -11.261 -11.821 4.344 1.00 0.00 C ATOM 956 CG ARG A 62 -11.367 -13.272 4.782 1.00 0.00 C ATOM 957 CD ARG A 62 -11.552 -14.201 3.593 1.00 0.00 C ATOM 958 NE ARG A 62 -12.945 -14.262 3.157 1.00 0.00 N ATOM 959 CZ ARG A 62 -13.320 -14.664 1.948 1.00 0.00 C ATOM 960 NH1 ARG A 62 -12.411 -15.039 1.059 1.00 0.00 N ATOM 961 NH2 ARG A 62 -14.607 -14.692 1.627 1.00 0.00 N ATOM 0 H ARG A 62 -10.868 -9.461 5.729 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.269 -11.885 5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.123 -11.272 4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.307 -11.775 3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.468 -13.555 5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.206 -13.386 5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.928 -13.861 2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.211 -15.202 3.858 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.669 -13.980 3.817 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.421 -15.019 1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.702 -15.347 0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.309 -14.405 2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.894 -15.001 0.698 1.00 0.00 H new ATOM 975 N LYS A 63 -8.385 -10.949 3.002 1.00 0.00 N ATOM 976 CA LYS A 63 -7.708 -10.307 1.882 1.00 0.00 C ATOM 977 C LYS A 63 -8.709 -9.884 0.811 1.00 0.00 C ATOM 978 O LYS A 63 -8.458 -8.951 0.048 1.00 0.00 O ATOM 979 CB LYS A 63 -6.668 -11.253 1.278 1.00 0.00 C ATOM 980 CG LYS A 63 -5.480 -10.536 0.660 1.00 0.00 C ATOM 981 CD LYS A 63 -4.875 -11.339 -0.479 1.00 0.00 C ATOM 982 CE LYS A 63 -3.914 -12.400 0.036 1.00 0.00 C ATOM 983 NZ LYS A 63 -3.229 -13.115 -1.077 1.00 0.00 N ATOM 0 H LYS A 63 -8.046 -11.887 3.218 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.205 -9.415 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.310 -11.929 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.147 -11.868 0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.795 -9.560 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.723 -10.359 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.670 -11.815 -1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.349 -10.669 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.169 -11.933 0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.460 -13.118 0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.583 -13.830 -0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.938 -13.582 -1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.687 -12.434 -1.646 1.00 0.00 H new ATOM 997 N SER A 64 -9.843 -10.575 0.762 1.00 0.00 N ATOM 998 CA SER A 64 -10.880 -10.272 -0.217 1.00 0.00 C ATOM 999 C SER A 64 -11.595 -8.971 0.133 1.00 0.00 C ATOM 1000 O SER A 64 -12.162 -8.307 -0.735 1.00 0.00 O ATOM 1001 CB SER A 64 -11.891 -11.418 -0.292 1.00 0.00 C ATOM 1002 OG SER A 64 -12.927 -11.126 -1.214 1.00 0.00 O ATOM 0 H SER A 64 -10.067 -11.348 1.388 1.00 0.00 H new ATOM 0 HA SER A 64 -10.402 -10.153 -1.190 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.384 -12.336 -0.589 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.318 -11.595 0.695 1.00 0.00 H new ATOM 0 HG SER A 64 -13.559 -11.875 -1.244 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.564 -8.612 1.412 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.207 -7.390 1.880 1.00 0.00 C ATOM 1010 C ASP A 65 -11.206 -6.241 1.948 1.00 0.00 C ATOM 1011 O ASP A 65 -11.393 -5.285 2.702 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.839 -7.614 3.254 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.257 -8.142 3.160 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -15.014 -7.658 2.292 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.610 -9.040 3.953 1.00 0.00 O ATOM 0 H ASP A 65 -11.100 -9.151 2.143 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.989 -7.125 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.229 -8.318 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.840 -6.675 3.808 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.143 -6.341 1.158 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.111 -5.311 1.129 1.00 0.00 C ATOM 1022 C LEU A 66 -9.196 -4.491 -0.155 1.00 0.00 C ATOM 1023 O LEU A 66 -9.152 -5.039 -1.257 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.725 -5.946 1.251 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.364 -6.511 2.625 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -5.987 -7.157 2.593 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.418 -5.418 3.682 1.00 0.00 C ATOM 0 H LEU A 66 -9.973 -7.125 0.529 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.274 -4.644 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.650 -6.750 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.980 -5.198 0.981 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.095 -7.277 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.748 -7.553 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.983 -7.969 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.242 -6.413 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.158 -5.838 4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.710 -4.630 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.425 -5.002 3.724 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.315 -3.176 -0.004 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.402 -2.281 -1.151 1.00 0.00 C ATOM 1041 C ILE A 67 -8.418 -1.123 -1.021 1.00 0.00 C ATOM 1042 O ILE A 67 -7.928 -0.833 0.070 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.825 -1.715 -1.316 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.338 -1.168 0.018 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.763 -2.786 -1.851 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.575 -0.309 -0.117 1.00 0.00 C ATOM 0 H ILE A 67 -9.353 -2.707 0.901 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.150 -2.871 -2.032 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.793 -0.896 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.556 -2.003 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.549 -0.582 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.764 -2.370 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.405 -3.132 -2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.793 -3.624 -1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.882 0.044 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.356 0.546 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.380 -0.897 -0.559 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.136 -0.465 -2.141 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.211 0.662 -2.151 1.00 0.00 C ATOM 1060 C GLN A 68 -7.941 1.968 -1.851 1.00 0.00 C ATOM 1061 O GLN A 68 -8.904 2.322 -2.532 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.506 0.758 -3.505 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.966 -0.573 -4.005 1.00 0.00 C ATOM 1064 CD GLN A 68 -5.072 -0.420 -5.220 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.244 0.499 -6.020 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -4.110 -1.324 -5.364 1.00 0.00 N ATOM 0 H GLN A 68 -8.534 -0.693 -3.052 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.467 0.496 -1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.204 1.157 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.683 1.469 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.406 -1.057 -3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.800 -1.229 -4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.004 -2.070 -4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.477 -1.273 -6.163 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.477 2.678 -0.829 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.085 3.945 -0.440 1.00 0.00 C ATOM 1077 C ASP A 69 -7.442 5.109 -1.188 1.00 0.00 C ATOM 1078 O ASP A 69 -6.364 5.574 -0.820 1.00 0.00 O ATOM 1079 CB ASP A 69 -7.952 4.156 1.069 1.00 0.00 C ATOM 1080 CG ASP A 69 -8.934 5.183 1.599 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.733 5.708 0.796 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -8.903 5.460 2.816 1.00 0.00 O ATOM 0 H ASP A 69 -6.682 2.398 -0.255 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.142 3.908 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.111 3.207 1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.936 4.476 1.300 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.111 5.573 -2.238 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.603 6.681 -3.038 1.00 0.00 C ATOM 1089 C GLU A 70 -7.638 7.985 -2.246 1.00 0.00 C ATOM 1090 O GLU A 70 -6.684 8.761 -2.267 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.422 6.830 -4.322 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.578 7.118 -5.553 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.370 7.010 -6.841 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.783 5.885 -7.192 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.577 8.052 -7.499 1.00 0.00 O ATOM 0 H GLU A 70 -9.006 5.199 -2.555 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.568 6.462 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.991 5.915 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.144 7.636 -4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.156 8.120 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.741 6.421 -5.586 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.745 8.217 -1.549 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.904 9.425 -0.748 1.00 0.00 C ATOM 1104 C ALA A 71 -7.720 9.620 0.192 1.00 0.00 C ATOM 1105 O ALA A 71 -7.358 10.750 0.525 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.204 9.367 0.041 1.00 0.00 C ATOM 0 H ALA A 71 -9.545 7.585 -1.523 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.940 10.279 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.310 10.275 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.044 9.284 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.190 8.501 0.702 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.120 8.514 0.619 1.00 0.00 N ATOM 1113 CA LEU A 72 -5.976 8.564 1.522 1.00 0.00 C ATOM 1114 C LEU A 72 -4.666 8.597 0.741 1.00 0.00 C ATOM 1115 O LEU A 72 -3.744 9.334 1.088 1.00 0.00 O ATOM 1116 CB LEU A 72 -5.992 7.358 2.464 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.387 7.581 3.850 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -6.090 6.716 4.885 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -3.894 7.290 3.834 1.00 0.00 C ATOM 0 H LEU A 72 -7.407 7.572 0.354 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.049 9.478 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.025 7.033 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.456 6.540 1.983 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.530 8.627 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.646 6.888 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.149 6.974 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.980 5.665 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.481 7.454 4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.728 6.254 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.402 7.953 3.123 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.593 7.794 -0.315 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.397 7.731 -1.146 1.00 0.00 C ATOM 1133 C ARG A 73 -2.993 9.124 -1.622 1.00 0.00 C ATOM 1134 O ARG A 73 -1.818 9.489 -1.577 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.633 6.818 -2.350 1.00 0.00 C ATOM 1136 CG ARG A 73 -2.798 5.548 -2.324 1.00 0.00 C ATOM 1137 CD ARG A 73 -2.572 5.002 -3.725 1.00 0.00 C ATOM 1138 NE ARG A 73 -1.702 5.867 -4.517 1.00 0.00 N ATOM 1139 CZ ARG A 73 -0.402 6.010 -4.288 1.00 0.00 C ATOM 1140 NH1 ARG A 73 0.177 5.347 -3.296 1.00 0.00 N ATOM 1141 NH2 ARG A 73 0.324 6.816 -5.052 1.00 0.00 N ATOM 0 H ARG A 73 -5.348 7.178 -0.615 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.587 7.322 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.688 6.548 -2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.411 7.370 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.837 5.753 -1.853 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.298 4.795 -1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.131 4.007 -3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.532 4.893 -4.230 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.116 6.390 -5.289 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.377 4.725 -2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.176 5.459 -3.122 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.116 7.327 -5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.323 6.924 -4.874 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.974 9.895 -2.078 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.720 11.246 -2.564 1.00 0.00 C ATOM 1157 C ARG A 74 -3.322 12.171 -1.418 1.00 0.00 C ATOM 1158 O ARG A 74 -2.566 13.123 -1.609 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.959 11.798 -3.272 1.00 0.00 C ATOM 1160 CG ARG A 74 -5.073 11.368 -4.725 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.526 11.236 -5.155 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.660 11.122 -6.605 1.00 0.00 N ATOM 1163 CZ ARG A 74 -7.802 11.315 -7.255 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -8.903 11.630 -6.588 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -7.844 11.193 -8.575 1.00 0.00 N ATOM 0 H ARG A 74 -4.952 9.608 -2.121 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.894 11.200 -3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.849 11.472 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.939 12.887 -3.225 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.569 12.095 -5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.563 10.415 -4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.966 10.359 -4.680 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.087 12.103 -4.806 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.831 10.881 -7.148 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.875 11.725 -5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.779 11.778 -7.090 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.999 10.951 -9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.722 11.341 -9.073 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.836 11.883 -0.227 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.533 12.687 0.951 1.00 0.00 C ATOM 1181 C ALA A 75 -2.043 12.647 1.274 1.00 0.00 C ATOM 1182 O ALA A 75 -1.422 13.684 1.509 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.347 12.205 2.143 1.00 0.00 C ATOM 0 H ALA A 75 -4.464 11.099 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.804 13.720 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.111 12.814 3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.410 12.292 1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.105 11.163 2.352 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.477 11.445 1.285 1.00 0.00 N ATOM 1190 CA ILE A 76 -0.060 11.272 1.580 1.00 0.00 C ATOM 1191 C ILE A 76 0.805 12.071 0.611 1.00 0.00 C ATOM 1192 O ILE A 76 1.810 12.662 1.005 1.00 0.00 O ATOM 1193 CB ILE A 76 0.351 9.789 1.514 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.485 8.961 2.492 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.834 9.637 1.817 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.387 7.470 2.259 1.00 0.00 C ATOM 0 H ILE A 76 -1.977 10.577 1.093 1.00 0.00 H new ATOM 0 HA ILE A 76 0.099 11.640 2.593 1.00 0.00 H new ATOM 0 HB ILE A 76 0.166 9.421 0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.164 9.183 3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.529 9.265 2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.110 8.584 1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.414 10.199 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.042 10.019 2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.005 6.946 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.735 7.235 1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.650 7.152 2.367 1.00 0.00 H new