USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 733 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 Single : A 8 MET CE :methyl 180:sc= -0.0418 (180deg=-0.0418) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -77:sc= 0.955 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.9 K(o=-0.9,f=-5.4!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 3:sc= 0.274 USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.04) USER MOD Single : A 79 ASN : amide:sc= 0.0525 X(o=0.052,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 1.156 1.052 -0.392 1.00 1.00 N ATOM 2 CA MET A 8 2.075 0.823 -1.555 1.00 1.00 C ATOM 3 C MET A 8 2.259 -0.675 -1.833 1.00 1.00 C ATOM 4 O MET A 8 2.498 -1.457 -0.894 1.00 1.00 O ATOM 5 CB MET A 8 3.480 1.534 -1.398 1.00 1.00 C ATOM 6 CG MET A 8 4.186 1.477 -0.014 1.00 1.00 C ATOM 7 SD MET A 8 5.867 2.128 -0.061 1.00 1.00 S ATOM 8 CE MET A 8 6.812 0.618 -0.266 1.00 1.00 C ATOM 0 HA MET A 8 1.587 1.286 -2.413 1.00 1.00 H new ATOM 0 HB2 MET A 8 4.156 1.099 -2.134 1.00 1.00 H new ATOM 0 HB3 MET A 8 3.353 2.584 -1.663 1.00 1.00 H new ATOM 0 HG2 MET A 8 3.602 2.044 0.711 1.00 1.00 H new ATOM 0 HG3 MET A 8 4.211 0.444 0.334 1.00 1.00 H new ATOM 0 HE1 MET A 8 7.874 0.857 -0.312 1.00 1.00 H new ATOM 0 HE2 MET A 8 6.626 -0.045 0.579 1.00 1.00 H new ATOM 0 HE3 MET A 8 6.511 0.123 -1.189 1.00 1.00 H new ATOM 18 N ALA A 9 2.137 -1.029 -3.136 1.00 1.00 N ATOM 19 CA ALA A 9 2.298 -2.405 -3.640 1.00 1.00 C ATOM 20 C ALA A 9 3.568 -2.524 -4.483 1.00 1.00 C ATOM 21 O ALA A 9 3.875 -1.612 -5.265 1.00 1.00 O ATOM 22 CB ALA A 9 1.077 -2.821 -4.450 1.00 1.00 C ATOM 0 H ALA A 9 1.921 -0.355 -3.871 1.00 1.00 H new ATOM 0 HA ALA A 9 2.390 -3.076 -2.786 1.00 1.00 H new ATOM 0 HB1 ALA A 9 1.212 -3.839 -4.815 1.00 1.00 H new ATOM 0 HB2 ALA A 9 0.189 -2.776 -3.819 1.00 1.00 H new ATOM 0 HB3 ALA A 9 0.955 -2.146 -5.297 1.00 1.00 H new ATOM 28 N LYS A 10 4.283 -3.659 -4.306 1.00 1.00 N ATOM 29 CA LYS A 10 5.543 -3.966 -5.008 1.00 1.00 C ATOM 30 C LYS A 10 5.402 -5.222 -5.857 1.00 1.00 C ATOM 31 O LYS A 10 4.775 -6.207 -5.412 1.00 1.00 O ATOM 32 CB LYS A 10 6.692 -4.153 -4.006 1.00 1.00 C ATOM 33 CG LYS A 10 7.376 -2.859 -3.588 1.00 1.00 C ATOM 34 CD LYS A 10 8.466 -3.115 -2.557 1.00 1.00 C ATOM 35 CE LYS A 10 9.164 -1.827 -2.147 1.00 1.00 C ATOM 36 NZ LYS A 10 10.224 -2.070 -1.129 1.00 1.00 N ATOM 0 H LYS A 10 3.994 -4.395 -3.662 1.00 1.00 H new ATOM 0 HA LYS A 10 5.770 -3.123 -5.660 1.00 1.00 H new ATOM 0 HB2 LYS A 10 6.305 -4.650 -3.116 1.00 1.00 H new ATOM 0 HB3 LYS A 10 7.436 -4.818 -4.444 1.00 1.00 H new ATOM 0 HG2 LYS A 10 7.808 -2.375 -4.464 1.00 1.00 H new ATOM 0 HG3 LYS A 10 6.637 -2.172 -3.176 1.00 1.00 H new ATOM 0 HD2 LYS A 10 8.031 -3.590 -1.677 1.00 1.00 H new ATOM 0 HD3 LYS A 10 9.198 -3.812 -2.966 1.00 1.00 H new ATOM 0 HE2 LYS A 10 9.606 -1.358 -3.026 1.00 1.00 H new ATOM 0 HE3 LYS A 10 8.430 -1.128 -1.747 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 10.676 -1.168 -0.876 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 9.799 -2.495 -0.280 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 10.938 -2.717 -1.519 1.00 1.00 H new ATOM 50 N CYS A 11 5.995 -5.175 -7.096 1.00 1.00 N ATOM 51 CA CYS A 11 6.004 -6.315 -8.074 1.00 1.00 C ATOM 52 C CYS A 11 6.944 -7.493 -7.593 1.00 1.00 C ATOM 53 O CYS A 11 8.142 -7.221 -7.348 1.00 1.00 O ATOM 54 CB CYS A 11 6.437 -5.858 -9.493 1.00 1.00 C ATOM 55 SG CYS A 11 6.220 -7.121 -10.811 1.00 1.00 S ATOM 0 H CYS A 11 6.479 -4.346 -7.442 1.00 1.00 H new ATOM 0 HA CYS A 11 4.978 -6.680 -8.123 1.00 1.00 H new ATOM 0 HB2 CYS A 11 5.866 -4.970 -9.763 1.00 1.00 H new ATOM 0 HB3 CYS A 11 7.486 -5.564 -9.460 1.00 1.00 H new ATOM 60 N PRO A 12 6.425 -8.813 -7.383 1.00 1.00 N ATOM 61 CA PRO A 12 7.305 -9.966 -6.959 1.00 1.00 C ATOM 62 C PRO A 12 8.259 -10.519 -8.084 1.00 1.00 C ATOM 63 O PRO A 12 9.105 -11.391 -7.807 1.00 1.00 O ATOM 64 CB PRO A 12 6.283 -11.042 -6.496 1.00 1.00 C ATOM 65 CG PRO A 12 5.015 -10.773 -7.265 1.00 1.00 C ATOM 66 CD PRO A 12 4.974 -9.272 -7.465 1.00 1.00 C ATOM 0 HA PRO A 12 8.008 -9.655 -6.186 1.00 1.00 H new ATOM 0 HB2 PRO A 12 6.656 -12.046 -6.698 1.00 1.00 H new ATOM 0 HB3 PRO A 12 6.109 -10.977 -5.422 1.00 1.00 H new ATOM 0 HG2 PRO A 12 5.017 -11.296 -8.221 1.00 1.00 H new ATOM 0 HG3 PRO A 12 4.141 -11.120 -6.714 1.00 1.00 H new ATOM 0 HD2 PRO A 12 4.535 -9.016 -8.429 1.00 1.00 H new ATOM 0 HD3 PRO A 12 4.366 -8.790 -6.700 1.00 1.00 H new ATOM 74 N ILE A 13 8.109 -9.955 -9.321 1.00 1.00 N ATOM 75 CA ILE A 13 8.862 -10.350 -10.542 1.00 1.00 C ATOM 76 C ILE A 13 10.062 -9.370 -10.764 1.00 1.00 C ATOM 77 O ILE A 13 11.210 -9.845 -10.839 1.00 1.00 O ATOM 78 CB ILE A 13 7.917 -10.424 -11.855 1.00 1.00 C ATOM 79 CG1 ILE A 13 6.557 -11.143 -11.595 1.00 1.00 C ATOM 80 CG2 ILE A 13 8.588 -11.172 -13.047 1.00 1.00 C ATOM 81 CD1 ILE A 13 5.337 -10.273 -11.833 1.00 1.00 C ATOM 0 H ILE A 13 7.447 -9.199 -9.495 1.00 1.00 H new ATOM 0 HA ILE A 13 9.247 -11.358 -10.385 1.00 1.00 H new ATOM 0 HB ILE A 13 7.750 -9.376 -12.104 1.00 1.00 H new ATOM 0 HG12 ILE A 13 6.494 -12.021 -12.238 1.00 1.00 H new ATOM 0 HG13 ILE A 13 6.539 -11.500 -10.565 1.00 1.00 H new ATOM 0 HG21 ILE A 13 7.906 -11.188 -13.897 1.00 1.00 H new ATOM 0 HG22 ILE A 13 9.506 -10.657 -13.329 1.00 1.00 H new ATOM 0 HG23 ILE A 13 8.822 -12.194 -12.750 1.00 1.00 H new ATOM 0 HD11 ILE A 13 4.434 -10.849 -11.630 1.00 1.00 H new ATOM 0 HD12 ILE A 13 5.372 -9.408 -11.171 1.00 1.00 H new ATOM 0 HD13 ILE A 13 5.327 -9.936 -12.870 1.00 1.00 H new ATOM 93 N CYS A 14 9.771 -8.034 -10.853 1.00 1.00 N ATOM 94 CA CYS A 14 10.801 -6.999 -11.108 1.00 1.00 C ATOM 95 C CYS A 14 11.188 -6.205 -9.847 1.00 1.00 C ATOM 96 O CYS A 14 12.386 -5.923 -9.656 1.00 1.00 O ATOM 97 CB CYS A 14 10.359 -6.066 -12.260 1.00 1.00 C ATOM 98 SG CYS A 14 8.917 -4.987 -11.919 1.00 1.00 S ATOM 0 H CYS A 14 8.828 -7.659 -10.750 1.00 1.00 H new ATOM 0 HA CYS A 14 11.707 -7.522 -11.414 1.00 1.00 H new ATOM 0 HB2 CYS A 14 11.204 -5.433 -12.532 1.00 1.00 H new ATOM 0 HB3 CYS A 14 10.129 -6.681 -13.130 1.00 1.00 H new ATOM 103 N GLY A 15 10.161 -5.855 -9.014 1.00 1.00 N ATOM 104 CA GLY A 15 10.350 -5.090 -7.762 1.00 1.00 C ATOM 105 C GLY A 15 10.171 -3.574 -7.923 1.00 1.00 C ATOM 106 O GLY A 15 10.863 -2.808 -7.230 1.00 1.00 O ATOM 0 H GLY A 15 9.188 -6.099 -9.199 1.00 1.00 H new ATOM 0 HA2 GLY A 15 9.642 -5.452 -7.017 1.00 1.00 H new ATOM 0 HA3 GLY A 15 11.349 -5.288 -7.375 1.00 1.00 H new ATOM 110 N SER A 16 9.228 -3.167 -8.828 1.00 1.00 N ATOM 111 CA SER A 16 8.917 -1.748 -9.135 1.00 1.00 C ATOM 112 C SER A 16 7.767 -1.171 -8.240 1.00 1.00 C ATOM 113 O SER A 16 6.833 -1.941 -7.958 1.00 1.00 O ATOM 114 CB SER A 16 8.538 -1.606 -10.622 1.00 1.00 C ATOM 115 OG SER A 16 7.472 -2.480 -10.994 1.00 1.00 O ATOM 0 H SER A 16 8.663 -3.825 -9.364 1.00 1.00 H new ATOM 0 HA SER A 16 9.815 -1.170 -8.917 1.00 1.00 H new ATOM 0 HB2 SER A 16 8.247 -0.575 -10.824 1.00 1.00 H new ATOM 0 HB3 SER A 16 9.411 -1.818 -11.239 1.00 1.00 H new ATOM 0 HG SER A 16 7.817 -3.391 -11.097 1.00 1.00 H new ATOM 121 N PRO A 17 7.793 0.193 -7.753 1.00 1.00 N ATOM 122 CA PRO A 17 6.674 0.784 -6.924 1.00 1.00 C ATOM 123 C PRO A 17 5.330 0.976 -7.698 1.00 1.00 C ATOM 124 O PRO A 17 5.329 1.511 -8.826 1.00 1.00 O ATOM 125 CB PRO A 17 7.246 2.147 -6.438 1.00 1.00 C ATOM 126 CG PRO A 17 8.312 2.521 -7.434 1.00 1.00 C ATOM 127 CD PRO A 17 8.916 1.209 -7.886 1.00 1.00 C ATOM 0 HA PRO A 17 6.400 0.109 -6.113 1.00 1.00 H new ATOM 0 HB2 PRO A 17 6.465 2.907 -6.396 1.00 1.00 H new ATOM 0 HB3 PRO A 17 7.661 2.061 -5.434 1.00 1.00 H new ATOM 0 HG2 PRO A 17 7.889 3.069 -8.275 1.00 1.00 H new ATOM 0 HG3 PRO A 17 9.065 3.165 -6.980 1.00 1.00 H new ATOM 0 HD2 PRO A 17 9.272 1.272 -8.914 1.00 1.00 H new ATOM 0 HD3 PRO A 17 9.772 0.935 -7.269 1.00 1.00 H new ATOM 135 N LEU A 18 4.237 0.507 -7.060 1.00 1.00 N ATOM 136 CA LEU A 18 2.864 0.580 -7.599 1.00 1.00 C ATOM 137 C LEU A 18 1.945 1.317 -6.636 1.00 1.00 C ATOM 138 O LEU A 18 2.083 1.171 -5.402 1.00 1.00 O ATOM 139 CB LEU A 18 2.290 -0.824 -7.873 1.00 1.00 C ATOM 140 CG LEU A 18 2.860 -1.560 -9.095 1.00 1.00 C ATOM 141 CD1 LEU A 18 3.194 -2.998 -8.732 1.00 1.00 C ATOM 142 CD2 LEU A 18 1.875 -1.515 -10.259 1.00 1.00 C ATOM 0 H LEU A 18 4.285 0.061 -6.144 1.00 1.00 H new ATOM 0 HA LEU A 18 2.918 1.126 -8.541 1.00 1.00 H new ATOM 0 HB2 LEU A 18 2.459 -1.442 -6.991 1.00 1.00 H new ATOM 0 HB3 LEU A 18 1.211 -0.735 -7.998 1.00 1.00 H new ATOM 0 HG LEU A 18 3.776 -1.058 -9.407 1.00 1.00 H new ATOM 0 HD11 LEU A 18 3.597 -3.510 -9.606 1.00 1.00 H new ATOM 0 HD12 LEU A 18 3.934 -3.009 -7.932 1.00 1.00 H new ATOM 0 HD13 LEU A 18 2.291 -3.508 -8.398 1.00 1.00 H new ATOM 0 HD21 LEU A 18 2.298 -2.042 -11.114 1.00 1.00 H new ATOM 0 HD22 LEU A 18 0.941 -1.993 -9.964 1.00 1.00 H new ATOM 0 HD23 LEU A 18 1.681 -0.478 -10.532 1.00 1.00 H new ATOM 154 N LYS A 19 0.989 2.082 -7.224 1.00 1.00 N ATOM 155 CA LYS A 19 -0.012 2.870 -6.479 1.00 1.00 C ATOM 156 C LYS A 19 -1.330 2.103 -6.369 1.00 1.00 C ATOM 157 O LYS A 19 -1.804 1.528 -7.367 1.00 1.00 O ATOM 158 CB LYS A 19 -0.251 4.231 -7.157 1.00 1.00 C ATOM 159 CG LYS A 19 0.817 5.279 -6.861 1.00 1.00 C ATOM 160 CD LYS A 19 0.564 6.569 -7.624 1.00 1.00 C ATOM 161 CE LYS A 19 1.613 7.619 -7.298 1.00 1.00 C ATOM 162 NZ LYS A 19 1.379 8.886 -8.043 1.00 1.00 N ATOM 0 H LYS A 19 0.896 2.166 -8.236 1.00 1.00 H new ATOM 0 HA LYS A 19 0.377 3.044 -5.476 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -0.307 4.081 -8.235 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -1.219 4.617 -6.838 1.00 1.00 H new ATOM 0 HG2 LYS A 19 0.837 5.487 -5.791 1.00 1.00 H new ATOM 0 HG3 LYS A 19 1.798 4.885 -7.127 1.00 1.00 H new ATOM 0 HD2 LYS A 19 0.569 6.367 -8.695 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -0.426 6.952 -7.377 1.00 1.00 H new ATOM 0 HE2 LYS A 19 1.604 7.821 -6.227 1.00 1.00 H new ATOM 0 HE3 LYS A 19 2.602 7.232 -7.542 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 2.115 9.577 -7.793 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 1.412 8.699 -9.065 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 0.445 9.269 -7.792 1.00 1.00 H new ATOM 176 N TRP A 20 -1.902 2.094 -5.121 1.00 1.00 N ATOM 177 CA TRP A 20 -3.207 1.429 -4.777 1.00 1.00 C ATOM 178 C TRP A 20 -4.438 2.119 -5.418 1.00 1.00 C ATOM 179 O TRP A 20 -5.454 1.457 -5.655 1.00 1.00 O ATOM 180 CB TRP A 20 -3.374 1.322 -3.258 1.00 1.00 C ATOM 181 CG TRP A 20 -2.700 0.086 -2.684 1.00 1.00 C ATOM 182 CD1 TRP A 20 -1.440 0.031 -2.160 1.00 1.00 C ATOM 183 CD2 TRP A 20 -3.231 -1.267 -2.577 1.00 1.00 C ATOM 184 NE1 TRP A 20 -1.147 -1.246 -1.742 1.00 1.00 N ATOM 185 CE2 TRP A 20 -2.223 -2.058 -1.983 1.00 1.00 C ATOM 186 CE3 TRP A 20 -4.449 -1.892 -2.922 1.00 1.00 C ATOM 187 CZ2 TRP A 20 -2.388 -3.422 -1.737 1.00 1.00 C ATOM 188 CZ3 TRP A 20 -4.607 -3.239 -2.665 1.00 1.00 C ATOM 189 CH2 TRP A 20 -3.583 -3.990 -2.078 1.00 1.00 C ATOM 0 H TRP A 20 -1.467 2.551 -4.320 1.00 1.00 H new ATOM 0 HA TRP A 20 -3.163 0.428 -5.205 1.00 1.00 H new ATOM 0 HB2 TRP A 20 -2.957 2.212 -2.786 1.00 1.00 H new ATOM 0 HB3 TRP A 20 -4.436 1.300 -3.013 1.00 1.00 H new ATOM 0 HD1 TRP A 20 -0.768 0.873 -2.084 1.00 1.00 H new ATOM 0 HE1 TRP A 20 -0.267 -1.542 -1.319 1.00 1.00 H new ATOM 0 HE3 TRP A 20 -5.245 -1.325 -3.380 1.00 1.00 H new ATOM 0 HZ2 TRP A 20 -1.598 -4.009 -1.292 1.00 1.00 H new ATOM 0 HZ3 TRP A 20 -5.538 -3.722 -2.922 1.00 1.00 H new ATOM 0 HH2 TRP A 20 -3.740 -5.042 -1.890 1.00 1.00 H new ATOM 200 N GLU A 21 -4.294 3.458 -5.692 1.00 1.00 N ATOM 201 CA GLU A 21 -5.318 4.328 -6.364 1.00 1.00 C ATOM 202 C GLU A 21 -5.467 4.031 -7.898 1.00 1.00 C ATOM 203 O GLU A 21 -6.568 4.180 -8.450 1.00 1.00 O ATOM 204 CB GLU A 21 -5.058 5.857 -6.095 1.00 1.00 C ATOM 205 CG GLU A 21 -3.646 6.441 -6.454 1.00 1.00 C ATOM 206 CD GLU A 21 -2.678 6.411 -5.283 1.00 1.00 C ATOM 207 OE1 GLU A 21 -2.197 5.311 -4.932 1.00 1.00 O ATOM 208 OE2 GLU A 21 -2.393 7.489 -4.722 1.00 1.00 O ATOM 0 H GLU A 21 -3.447 3.970 -5.447 1.00 1.00 H new ATOM 0 HA GLU A 21 -6.274 4.070 -5.908 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -5.805 6.425 -6.650 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -5.237 6.044 -5.036 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -3.223 5.873 -7.283 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -3.760 7.469 -6.798 1.00 1.00 H new ATOM 215 N GLU A 22 -4.318 3.609 -8.544 1.00 1.00 N ATOM 216 CA GLU A 22 -4.224 3.247 -9.998 1.00 1.00 C ATOM 217 C GLU A 22 -4.896 1.886 -10.327 1.00 1.00 C ATOM 218 O GLU A 22 -5.444 1.721 -11.426 1.00 1.00 O ATOM 219 CB GLU A 22 -2.759 3.228 -10.461 1.00 1.00 C ATOM 220 CG GLU A 22 -2.176 4.611 -10.753 1.00 1.00 C ATOM 221 CD GLU A 22 -0.742 4.557 -11.238 1.00 1.00 C ATOM 222 OE1 GLU A 22 0.174 4.556 -10.387 1.00 1.00 O ATOM 223 OE2 GLU A 22 -0.534 4.521 -12.469 1.00 1.00 O ATOM 0 H GLU A 22 -3.427 3.513 -8.057 1.00 1.00 H new ATOM 0 HA GLU A 22 -4.770 4.019 -10.541 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -2.153 2.745 -9.694 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -2.682 2.616 -11.360 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -2.790 5.107 -11.505 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -2.226 5.219 -9.849 1.00 1.00 H new ATOM 230 N LEU A 23 -4.823 0.925 -9.340 1.00 1.00 N ATOM 231 CA LEU A 23 -5.437 -0.442 -9.397 1.00 1.00 C ATOM 232 C LEU A 23 -6.994 -0.408 -9.361 1.00 1.00 C ATOM 233 O LEU A 23 -7.648 -1.182 -10.074 1.00 1.00 O ATOM 234 CB LEU A 23 -4.909 -1.296 -8.227 1.00 1.00 C ATOM 235 CG LEU A 23 -3.526 -1.919 -8.433 1.00 1.00 C ATOM 236 CD1 LEU A 23 -2.670 -1.742 -7.184 1.00 1.00 C ATOM 237 CD2 LEU A 23 -3.652 -3.396 -8.780 1.00 1.00 C ATOM 0 H LEU A 23 -4.323 1.090 -8.466 1.00 1.00 H new ATOM 0 HA LEU A 23 -5.149 -0.883 -10.351 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -4.878 -0.674 -7.332 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -5.623 -2.097 -8.034 1.00 1.00 H new ATOM 0 HG LEU A 23 -3.040 -1.407 -9.264 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -1.690 -2.191 -7.348 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -2.552 -0.679 -6.972 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -3.155 -2.229 -6.338 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -2.659 -3.822 -8.923 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -4.158 -3.919 -7.968 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -4.230 -3.506 -9.698 1.00 1.00 H new ATOM 249 N ILE A 24 -7.550 0.517 -8.501 1.00 1.00 N ATOM 250 CA ILE A 24 -9.022 0.762 -8.303 1.00 1.00 C ATOM 251 C ILE A 24 -9.625 1.548 -9.533 1.00 1.00 C ATOM 252 O ILE A 24 -10.739 1.231 -9.975 1.00 1.00 O ATOM 253 CB ILE A 24 -9.337 1.507 -6.891 1.00 1.00 C ATOM 254 CG1 ILE A 24 -8.521 0.975 -5.608 1.00 1.00 C ATOM 255 CG2 ILE A 24 -10.856 1.516 -6.542 1.00 1.00 C ATOM 256 CD1 ILE A 24 -8.394 -0.557 -5.328 1.00 1.00 C ATOM 0 H ILE A 24 -6.973 1.122 -7.917 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.515 -0.209 -8.251 1.00 1.00 H new ATOM 0 HB ILE A 24 -8.982 2.519 -7.088 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -7.509 1.373 -5.683 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -8.977 1.426 -4.727 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -11.008 2.025 -5.590 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -11.406 2.038 -7.325 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -11.218 0.491 -6.466 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -7.809 -0.714 -4.421 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -9.387 -0.987 -5.198 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -7.896 -1.041 -6.169 1.00 1.00 H new ATOM 268 N GLU A 25 -8.849 2.570 -10.045 1.00 1.00 N ATOM 269 CA GLU A 25 -9.217 3.440 -11.210 1.00 1.00 C ATOM 270 C GLU A 25 -9.273 2.664 -12.566 1.00 1.00 C ATOM 271 O GLU A 25 -10.138 2.961 -13.406 1.00 1.00 O ATOM 272 CB GLU A 25 -8.223 4.605 -11.312 1.00 1.00 C ATOM 273 CG GLU A 25 -8.872 5.965 -11.530 1.00 1.00 C ATOM 274 CD GLU A 25 -7.851 7.076 -11.652 1.00 1.00 C ATOM 275 OE1 GLU A 25 -7.288 7.247 -12.755 1.00 1.00 O ATOM 276 OE2 GLU A 25 -7.610 7.771 -10.645 1.00 1.00 O ATOM 0 H GLU A 25 -7.940 2.809 -9.649 1.00 1.00 H new ATOM 0 HA GLU A 25 -10.224 3.813 -11.025 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -7.629 4.641 -10.399 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -7.534 4.408 -12.133 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -9.481 5.934 -12.433 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -9.544 6.182 -10.700 1.00 1.00 H new ATOM 283 N GLU A 26 -8.328 1.678 -12.737 1.00 1.00 N ATOM 284 CA GLU A 26 -8.222 0.783 -13.921 1.00 1.00 C ATOM 285 C GLU A 26 -9.229 -0.403 -13.874 1.00 1.00 C ATOM 286 O GLU A 26 -9.570 -0.958 -14.939 1.00 1.00 O ATOM 287 CB GLU A 26 -6.806 0.211 -14.008 1.00 1.00 C ATOM 288 CG GLU A 26 -5.747 1.174 -14.559 1.00 1.00 C ATOM 289 CD GLU A 26 -4.370 0.546 -14.645 1.00 1.00 C ATOM 290 OE1 GLU A 26 -3.623 0.610 -13.645 1.00 1.00 O ATOM 291 OE2 GLU A 26 -4.036 -0.002 -15.715 1.00 1.00 O ATOM 0 H GLU A 26 -7.611 1.489 -12.037 1.00 1.00 H new ATOM 0 HA GLU A 26 -8.458 1.390 -14.795 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.499 -0.111 -13.013 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -6.828 -0.678 -14.638 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -6.050 1.511 -15.550 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -5.699 2.057 -13.922 1.00 1.00 H new ATOM 298 N MET A 27 -9.694 -0.747 -12.632 1.00 1.00 N ATOM 299 CA MET A 27 -10.641 -1.851 -12.381 1.00 1.00 C ATOM 300 C MET A 27 -12.098 -1.335 -12.077 1.00 1.00 C ATOM 301 O MET A 27 -12.979 -2.125 -11.662 1.00 1.00 O ATOM 302 CB MET A 27 -10.112 -2.760 -11.243 1.00 1.00 C ATOM 303 CG MET A 27 -9.015 -3.738 -11.655 1.00 1.00 C ATOM 304 SD MET A 27 -8.503 -4.804 -10.296 1.00 1.00 S ATOM 305 CE MET A 27 -9.550 -6.235 -10.568 1.00 1.00 C ATOM 0 H MET A 27 -9.413 -0.256 -11.783 1.00 1.00 H new ATOM 0 HA MET A 27 -10.711 -2.441 -13.295 1.00 1.00 H new ATOM 0 HB2 MET A 27 -9.732 -2.128 -10.441 1.00 1.00 H new ATOM 0 HB3 MET A 27 -10.948 -3.327 -10.833 1.00 1.00 H new ATOM 0 HG2 MET A 27 -9.371 -4.353 -12.482 1.00 1.00 H new ATOM 0 HG3 MET A 27 -8.153 -3.180 -12.021 1.00 1.00 H new ATOM 0 HE1 MET A 27 -9.348 -6.985 -9.803 1.00 1.00 H new ATOM 0 HE2 MET A 27 -10.597 -5.935 -10.515 1.00 1.00 H new ATOM 0 HE3 MET A 27 -9.343 -6.656 -11.552 1.00 1.00 H new ATOM 315 N LEU A 28 -12.353 -0.009 -12.333 1.00 1.00 N ATOM 316 CA LEU A 28 -13.676 0.639 -12.111 1.00 1.00 C ATOM 317 C LEU A 28 -14.613 0.575 -13.381 1.00 1.00 C ATOM 318 O LEU A 28 -15.657 1.271 -13.458 1.00 1.00 O ATOM 319 CB LEU A 28 -13.445 2.085 -11.607 1.00 1.00 C ATOM 320 CG LEU A 28 -14.370 2.552 -10.466 1.00 1.00 C ATOM 321 CD1 LEU A 28 -13.640 2.530 -9.128 1.00 1.00 C ATOM 322 CD2 LEU A 28 -14.909 3.942 -10.758 1.00 1.00 C ATOM 0 H LEU A 28 -11.646 0.630 -12.697 1.00 1.00 H new ATOM 0 HA LEU A 28 -14.217 0.081 -11.347 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -12.412 2.172 -11.271 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -13.565 2.767 -12.449 1.00 1.00 H new ATOM 0 HG LEU A 28 -15.209 1.859 -10.403 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -14.315 2.864 -8.340 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -13.305 1.515 -8.913 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -12.778 3.195 -9.173 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -15.561 4.258 -9.943 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -14.079 4.642 -10.851 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -15.475 3.925 -11.689 1.00 1.00 H new ATOM 334 N ILE A 29 -14.244 -0.338 -14.331 1.00 1.00 N ATOM 335 CA ILE A 29 -14.974 -0.613 -15.613 1.00 1.00 C ATOM 336 C ILE A 29 -16.100 -1.700 -15.457 1.00 1.00 C ATOM 337 O ILE A 29 -16.861 -1.949 -16.414 1.00 1.00 O ATOM 338 CB ILE A 29 -13.998 -1.010 -16.816 1.00 1.00 C ATOM 339 CG1 ILE A 29 -12.868 -2.043 -16.467 1.00 1.00 C ATOM 340 CG2 ILE A 29 -13.373 0.244 -17.416 1.00 1.00 C ATOM 341 CD1 ILE A 29 -12.917 -3.306 -17.306 1.00 1.00 C ATOM 0 H ILE A 29 -13.411 -0.917 -14.225 1.00 1.00 H new ATOM 0 HA ILE A 29 -15.451 0.334 -15.865 1.00 1.00 H new ATOM 0 HB ILE A 29 -14.640 -1.521 -17.534 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -11.897 -1.566 -16.601 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -12.948 -2.313 -15.414 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -12.710 -0.036 -18.235 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -14.159 0.898 -17.793 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -12.802 0.768 -16.650 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -12.107 -3.972 -17.009 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -13.873 -3.807 -17.154 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -12.806 -3.048 -18.359 1.00 1.00 H new ATOM 353 N ILE A 30 -16.198 -2.283 -14.230 1.00 1.00 N ATOM 354 CA ILE A 30 -17.162 -3.365 -13.871 1.00 1.00 C ATOM 355 C ILE A 30 -18.310 -2.765 -13.019 1.00 1.00 C ATOM 356 O ILE A 30 -18.073 -1.945 -12.118 1.00 1.00 O ATOM 357 CB ILE A 30 -16.492 -4.618 -13.098 1.00 1.00 C ATOM 358 CG1 ILE A 30 -15.078 -4.998 -13.622 1.00 1.00 C ATOM 359 CG2 ILE A 30 -17.364 -5.903 -13.186 1.00 1.00 C ATOM 360 CD1 ILE A 30 -13.987 -4.917 -12.571 1.00 1.00 C ATOM 0 H ILE A 30 -15.600 -2.011 -13.449 1.00 1.00 H new ATOM 0 HA ILE A 30 -17.543 -3.767 -14.810 1.00 1.00 H new ATOM 0 HB ILE A 30 -16.415 -4.268 -12.068 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -15.110 -6.012 -14.020 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -14.820 -4.338 -14.450 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -16.871 -6.715 -12.652 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -18.339 -5.713 -12.737 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -17.495 -6.183 -14.231 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -13.032 -5.197 -13.016 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -13.925 -3.898 -12.189 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -14.219 -5.598 -11.752 1.00 1.00 H new ATOM 372 N GLU A 31 -19.553 -3.223 -13.359 1.00 1.00 N ATOM 373 CA GLU A 31 -20.850 -2.845 -12.680 1.00 1.00 C ATOM 374 C GLU A 31 -21.050 -3.486 -11.270 1.00 1.00 C ATOM 375 O GLU A 31 -21.759 -2.906 -10.428 1.00 1.00 O ATOM 376 CB GLU A 31 -22.107 -3.099 -13.595 1.00 1.00 C ATOM 377 CG GLU A 31 -22.214 -4.473 -14.292 1.00 1.00 C ATOM 378 CD GLU A 31 -23.442 -4.601 -15.167 1.00 1.00 C ATOM 379 OE1 GLU A 31 -23.423 -4.072 -16.297 1.00 1.00 O ATOM 380 OE2 GLU A 31 -24.421 -5.238 -14.724 1.00 1.00 O ATOM 0 H GLU A 31 -19.693 -3.879 -14.127 1.00 1.00 H new ATOM 0 HA GLU A 31 -20.761 -1.771 -12.514 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -23.000 -2.960 -12.986 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -22.124 -2.328 -14.366 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -21.324 -4.636 -14.900 1.00 1.00 H new ATOM 0 HG3 GLU A 31 -22.231 -5.257 -13.535 1.00 1.00 H new ATOM 387 N ASN A 32 -20.410 -4.678 -11.057 1.00 1.00 N ATOM 388 CA ASN A 32 -20.439 -5.454 -9.778 1.00 1.00 C ATOM 389 C ASN A 32 -19.494 -4.869 -8.682 1.00 1.00 C ATOM 390 O ASN A 32 -19.656 -5.182 -7.490 1.00 1.00 O ATOM 391 CB ASN A 32 -20.071 -6.918 -10.053 1.00 1.00 C ATOM 392 CG ASN A 32 -21.240 -7.730 -10.581 1.00 1.00 C ATOM 393 OD1 ASN A 32 -22.167 -8.061 -9.842 1.00 1.00 O ATOM 394 ND2 ASN A 32 -21.200 -8.054 -11.869 1.00 1.00 N ATOM 0 H ASN A 32 -19.852 -5.131 -11.781 1.00 1.00 H new ATOM 0 HA ASN A 32 -21.454 -5.383 -9.388 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -19.255 -6.953 -10.775 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -19.704 -7.374 -9.134 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -21.958 -8.598 -12.282 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -20.412 -7.758 -12.445 1.00 1.00 H new ATOM 401 N PHE A 33 -18.505 -4.003 -9.128 1.00 1.00 N ATOM 402 CA PHE A 33 -17.488 -3.298 -8.267 1.00 1.00 C ATOM 403 C PHE A 33 -18.129 -2.406 -7.170 1.00 1.00 C ATOM 404 O PHE A 33 -17.591 -2.316 -6.058 1.00 1.00 O ATOM 405 CB PHE A 33 -16.515 -2.468 -9.134 1.00 1.00 C ATOM 406 CG PHE A 33 -15.072 -2.477 -8.632 1.00 1.00 C ATOM 407 CD1 PHE A 33 -14.635 -1.557 -7.680 1.00 1.00 C ATOM 408 CD2 PHE A 33 -14.161 -3.423 -9.099 1.00 1.00 C ATOM 409 CE1 PHE A 33 -13.338 -1.583 -7.213 1.00 1.00 C ATOM 410 CE2 PHE A 33 -12.861 -3.446 -8.631 1.00 1.00 C ATOM 411 CZ PHE A 33 -12.450 -2.525 -7.688 1.00 1.00 C ATOM 0 H PHE A 33 -18.398 -3.777 -10.117 1.00 1.00 H new ATOM 0 HA PHE A 33 -16.932 -4.080 -7.750 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -16.536 -2.852 -10.154 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -16.869 -1.438 -9.173 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -15.322 -0.814 -7.303 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -14.475 -4.147 -9.836 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -13.017 -0.864 -6.474 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -12.166 -4.185 -9.003 1.00 1.00 H new ATOM 0 HZ PHE A 33 -11.434 -2.542 -7.323 1.00 1.00 H new ATOM 421 N GLU A 34 -19.285 -1.756 -7.536 1.00 1.00 N ATOM 422 CA GLU A 34 -20.139 -0.904 -6.624 1.00 1.00 C ATOM 423 C GLU A 34 -20.702 -1.710 -5.407 1.00 1.00 C ATOM 424 O GLU A 34 -20.939 -1.135 -4.333 1.00 1.00 O ATOM 425 CB GLU A 34 -21.310 -0.289 -7.408 1.00 1.00 C ATOM 426 CG GLU A 34 -20.938 0.952 -8.221 1.00 1.00 C ATOM 427 CD GLU A 34 -22.123 1.580 -8.942 1.00 1.00 C ATOM 428 OE1 GLU A 34 -22.993 2.179 -8.267 1.00 1.00 O ATOM 429 OE2 GLU A 34 -22.174 1.480 -10.186 1.00 1.00 O ATOM 0 H GLU A 34 -19.657 -1.808 -8.484 1.00 1.00 H new ATOM 0 HA GLU A 34 -19.493 -0.117 -6.235 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -21.717 -1.043 -8.082 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -22.103 -0.026 -6.708 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -20.492 1.692 -7.557 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -20.177 0.683 -8.954 1.00 1.00 H new ATOM 436 N GLU A 35 -20.903 -3.051 -5.644 1.00 1.00 N ATOM 437 CA GLU A 35 -21.374 -4.051 -4.634 1.00 1.00 C ATOM 438 C GLU A 35 -20.206 -4.650 -3.805 1.00 1.00 C ATOM 439 O GLU A 35 -20.388 -4.944 -2.615 1.00 1.00 O ATOM 440 CB GLU A 35 -22.140 -5.200 -5.312 1.00 1.00 C ATOM 441 CG GLU A 35 -23.591 -4.889 -5.653 1.00 1.00 C ATOM 442 CD GLU A 35 -24.292 -6.065 -6.299 1.00 1.00 C ATOM 443 OE1 GLU A 35 -24.215 -6.194 -7.539 1.00 1.00 O ATOM 444 OE2 GLU A 35 -24.921 -6.858 -5.566 1.00 1.00 O ATOM 0 H GLU A 35 -20.738 -3.468 -6.560 1.00 1.00 H new ATOM 0 HA GLU A 35 -22.036 -3.510 -3.958 1.00 1.00 H new ATOM 0 HB2 GLU A 35 -21.617 -5.475 -6.228 1.00 1.00 H new ATOM 0 HB3 GLU A 35 -22.114 -6.071 -4.657 1.00 1.00 H new ATOM 0 HG2 GLU A 35 -24.123 -4.605 -4.745 1.00 1.00 H new ATOM 0 HG3 GLU A 35 -23.629 -4.032 -6.325 1.00 1.00 H new ATOM 451 N ILE A 36 -19.005 -4.825 -4.472 1.00 1.00 N ATOM 452 CA ILE A 36 -17.728 -5.385 -3.869 1.00 1.00 C ATOM 453 C ILE A 36 -17.091 -4.355 -2.860 1.00 1.00 C ATOM 454 O ILE A 36 -16.617 -4.760 -1.793 1.00 1.00 O ATOM 455 CB ILE A 36 -16.662 -5.878 -4.988 1.00 1.00 C ATOM 456 CG1 ILE A 36 -17.305 -6.910 -5.982 1.00 1.00 C ATOM 457 CG2 ILE A 36 -15.396 -6.558 -4.348 1.00 1.00 C ATOM 458 CD1 ILE A 36 -16.867 -6.806 -7.450 1.00 1.00 C ATOM 0 H ILE A 36 -18.895 -4.578 -5.456 1.00 1.00 H new ATOM 0 HA ILE A 36 -18.003 -6.281 -3.312 1.00 1.00 H new ATOM 0 HB ILE A 36 -16.361 -4.976 -5.521 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -17.076 -7.915 -5.627 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -18.388 -6.796 -5.940 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -14.713 -6.871 -5.138 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -14.893 -5.847 -3.693 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -15.704 -7.429 -3.769 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -17.378 -7.569 -8.037 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -17.122 -5.819 -7.837 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -15.790 -6.955 -7.520 1.00 1.00 H new ATOM 470 N VAL A 37 -17.110 -3.043 -3.243 1.00 1.00 N ATOM 471 CA VAL A 37 -16.552 -1.877 -2.437 1.00 1.00 C ATOM 472 C VAL A 37 -17.199 -1.687 -1.013 1.00 1.00 C ATOM 473 O VAL A 37 -16.615 -1.003 -0.165 1.00 1.00 O ATOM 474 CB VAL A 37 -16.585 -0.489 -3.219 1.00 1.00 C ATOM 475 CG1 VAL A 37 -15.521 -0.455 -4.318 1.00 1.00 C ATOM 476 CG2 VAL A 37 -17.962 -0.128 -3.832 1.00 1.00 C ATOM 0 H VAL A 37 -17.516 -2.746 -4.130 1.00 1.00 H new ATOM 0 HA VAL A 37 -15.513 -2.172 -2.286 1.00 1.00 H new ATOM 0 HB VAL A 37 -16.375 0.263 -2.458 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -15.564 0.503 -4.837 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -14.534 -0.582 -3.873 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -15.706 -1.261 -5.028 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -17.892 0.831 -4.345 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -18.257 -0.899 -4.544 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -18.707 -0.062 -3.039 1.00 1.00 H new ATOM 486 N LYS A 38 -18.438 -2.240 -0.848 1.00 1.00 N ATOM 487 CA LYS A 38 -19.215 -2.230 0.418 1.00 1.00 C ATOM 488 C LYS A 38 -18.887 -3.442 1.336 1.00 1.00 C ATOM 489 O LYS A 38 -19.130 -3.360 2.556 1.00 1.00 O ATOM 490 CB LYS A 38 -20.713 -2.235 0.092 1.00 1.00 C ATOM 491 CG LYS A 38 -21.350 -0.856 0.086 1.00 1.00 C ATOM 492 CD LYS A 38 -22.807 -0.917 -0.365 1.00 1.00 C ATOM 493 CE LYS A 38 -23.467 0.467 -0.374 1.00 1.00 C ATOM 494 NZ LYS A 38 -23.174 1.223 -1.629 1.00 1.00 N ATOM 0 H LYS A 38 -18.928 -2.712 -1.608 1.00 1.00 H new ATOM 0 HA LYS A 38 -18.937 -1.327 0.961 1.00 1.00 H new ATOM 0 HB2 LYS A 38 -20.860 -2.696 -0.885 1.00 1.00 H new ATOM 0 HB3 LYS A 38 -21.230 -2.860 0.820 1.00 1.00 H new ATOM 0 HG2 LYS A 38 -21.295 -0.424 1.085 1.00 1.00 H new ATOM 0 HG3 LYS A 38 -20.789 -0.198 -0.578 1.00 1.00 H new ATOM 0 HD2 LYS A 38 -22.859 -1.349 -1.364 1.00 1.00 H new ATOM 0 HD3 LYS A 38 -23.364 -1.579 0.298 1.00 1.00 H new ATOM 0 HE2 LYS A 38 -24.545 0.354 -0.263 1.00 1.00 H new ATOM 0 HE3 LYS A 38 -23.116 1.041 0.484 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 -23.640 2.152 -1.591 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 -22.147 1.354 -1.723 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 -23.531 0.689 -2.447 1.00 1.00 H new ATOM 508 N ASP A 39 -18.327 -4.538 0.731 1.00 1.00 N ATOM 509 CA ASP A 39 -17.966 -5.771 1.436 1.00 1.00 C ATOM 510 C ASP A 39 -16.469 -6.108 1.287 1.00 1.00 C ATOM 511 O ASP A 39 -15.983 -6.484 0.195 1.00 1.00 O ATOM 512 CB ASP A 39 -18.859 -6.935 0.954 1.00 1.00 C ATOM 513 CG ASP A 39 -20.183 -7.002 1.686 1.00 1.00 C ATOM 514 OD1 ASP A 39 -20.186 -7.385 2.877 1.00 1.00 O ATOM 515 OD2 ASP A 39 -21.218 -6.683 1.066 1.00 1.00 O ATOM 0 H ASP A 39 -18.120 -4.570 -0.267 1.00 1.00 H new ATOM 0 HA ASP A 39 -18.141 -5.614 2.500 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -19.045 -6.826 -0.114 1.00 1.00 H new ATOM 0 HB3 ASP A 39 -18.326 -7.876 1.090 1.00 1.00 H new ATOM 520 N ARG A 40 -15.730 -5.889 2.421 1.00 1.00 N ATOM 521 CA ARG A 40 -14.249 -6.195 2.600 1.00 1.00 C ATOM 522 C ARG A 40 -13.885 -7.701 2.392 1.00 1.00 C ATOM 523 O ARG A 40 -12.820 -8.008 1.842 1.00 1.00 O ATOM 524 CB ARG A 40 -13.705 -5.676 3.990 1.00 1.00 C ATOM 525 CG ARG A 40 -14.535 -6.015 5.269 1.00 1.00 C ATOM 526 CD ARG A 40 -15.289 -4.793 5.766 1.00 1.00 C ATOM 527 NE ARG A 40 -16.211 -5.126 6.879 1.00 1.00 N ATOM 528 CZ ARG A 40 -17.029 -4.270 7.566 1.00 1.00 C ATOM 529 NH1 ARG A 40 -17.112 -2.945 7.312 1.00 1.00 N ATOM 530 NH2 ARG A 40 -17.783 -4.768 8.533 1.00 1.00 N ATOM 0 H ARG A 40 -16.146 -5.486 3.261 1.00 1.00 H new ATOM 0 HA ARG A 40 -13.748 -5.645 1.803 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -12.700 -6.076 4.127 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -13.611 -4.592 3.929 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -15.239 -6.817 5.048 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -13.871 -6.381 6.052 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -14.577 -4.038 6.098 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -15.856 -4.357 4.943 1.00 1.00 H new ATOM 0 HE ARG A 40 -16.239 -6.105 7.165 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -16.545 -2.531 6.572 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -17.742 -2.359 7.860 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -17.744 -5.764 8.748 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -18.403 -4.156 9.063 1.00 1.00 H new ATOM 544 N GLU A 41 -14.830 -8.604 2.810 1.00 1.00 N ATOM 545 CA GLU A 41 -14.742 -10.092 2.678 1.00 1.00 C ATOM 546 C GLU A 41 -14.820 -10.572 1.193 1.00 1.00 C ATOM 547 O GLU A 41 -14.205 -11.592 0.843 1.00 1.00 O ATOM 548 CB GLU A 41 -15.873 -10.720 3.490 1.00 1.00 C ATOM 549 CG GLU A 41 -15.426 -11.816 4.440 1.00 1.00 C ATOM 550 CD GLU A 41 -16.592 -12.445 5.177 1.00 1.00 C ATOM 551 OE1 GLU A 41 -17.262 -13.324 4.592 1.00 1.00 O ATOM 552 OE2 GLU A 41 -16.838 -12.057 6.337 1.00 1.00 O ATOM 0 H GLU A 41 -15.695 -8.305 3.259 1.00 1.00 H new ATOM 0 HA GLU A 41 -13.770 -10.408 3.056 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -16.370 -9.938 4.064 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -16.613 -11.130 2.803 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -14.895 -12.585 3.880 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -14.722 -11.404 5.162 1.00 1.00 H new ATOM 559 N ARG A 42 -15.599 -9.800 0.357 1.00 1.00 N ATOM 560 CA ARG A 42 -15.769 -10.018 -1.108 1.00 1.00 C ATOM 561 C ARG A 42 -14.606 -9.398 -1.934 1.00 1.00 C ATOM 562 O ARG A 42 -14.255 -9.943 -2.993 1.00 1.00 O ATOM 563 CB ARG A 42 -17.102 -9.426 -1.599 1.00 1.00 C ATOM 564 CG ARG A 42 -18.304 -10.349 -1.430 1.00 1.00 C ATOM 565 CD ARG A 42 -19.584 -9.706 -1.945 1.00 1.00 C ATOM 566 NE ARG A 42 -20.752 -10.625 -1.840 1.00 1.00 N ATOM 567 CZ ARG A 42 -22.052 -10.366 -2.198 1.00 1.00 C ATOM 568 NH1 ARG A 42 -22.469 -9.191 -2.713 1.00 1.00 N ATOM 569 NH2 ARG A 42 -22.955 -11.323 -2.029 1.00 1.00 N ATOM 0 H ARG A 42 -16.130 -8.999 0.699 1.00 1.00 H new ATOM 0 HA ARG A 42 -15.764 -11.097 -1.262 1.00 1.00 H new ATOM 0 HB2 ARG A 42 -17.294 -8.498 -1.060 1.00 1.00 H new ATOM 0 HB3 ARG A 42 -17.004 -9.167 -2.653 1.00 1.00 H new ATOM 0 HG2 ARG A 42 -18.125 -11.282 -1.965 1.00 1.00 H new ATOM 0 HG3 ARG A 42 -18.423 -10.603 -0.377 1.00 1.00 H new ATOM 0 HD2 ARG A 42 -19.786 -8.797 -1.379 1.00 1.00 H new ATOM 0 HD3 ARG A 42 -19.448 -9.410 -2.985 1.00 1.00 H new ATOM 0 HE ARG A 42 -20.565 -11.552 -1.459 1.00 1.00 H new ATOM 0 HH11 ARG A 42 -21.803 -8.432 -2.856 1.00 1.00 H new ATOM 0 HH12 ARG A 42 -23.450 -9.062 -2.959 1.00 1.00 H new ATOM 0 HH21 ARG A 42 -22.676 -12.224 -1.641 1.00 1.00 H new ATOM 0 HH22 ARG A 42 -23.928 -11.157 -2.287 1.00 1.00 H new ATOM 583 N PHE A 43 -14.034 -8.242 -1.424 1.00 1.00 N ATOM 584 CA PHE A 43 -12.912 -7.486 -2.062 1.00 1.00 C ATOM 585 C PHE A 43 -11.532 -8.184 -1.885 1.00 1.00 C ATOM 586 O PHE A 43 -10.810 -8.332 -2.875 1.00 1.00 O ATOM 587 CB PHE A 43 -12.844 -6.028 -1.516 1.00 1.00 C ATOM 588 CG PHE A 43 -12.337 -4.967 -2.500 1.00 1.00 C ATOM 589 CD1 PHE A 43 -10.973 -4.842 -2.797 1.00 1.00 C ATOM 590 CD2 PHE A 43 -13.224 -4.088 -3.111 1.00 1.00 C ATOM 591 CE1 PHE A 43 -10.525 -3.877 -3.676 1.00 1.00 C ATOM 592 CE2 PHE A 43 -12.772 -3.123 -3.993 1.00 1.00 C ATOM 593 CZ PHE A 43 -11.427 -3.018 -4.273 1.00 1.00 C ATOM 0 H PHE A 43 -14.351 -7.818 -0.552 1.00 1.00 H new ATOM 0 HA PHE A 43 -13.128 -7.464 -3.130 1.00 1.00 H new ATOM 0 HB2 PHE A 43 -13.840 -5.739 -1.182 1.00 1.00 H new ATOM 0 HB3 PHE A 43 -12.198 -6.019 -0.638 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -10.263 -5.510 -2.332 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -14.280 -4.159 -2.894 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -9.471 -3.794 -3.897 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -13.475 -2.451 -4.463 1.00 1.00 H new ATOM 0 HZ PHE A 43 -11.077 -2.262 -4.961 1.00 1.00 H new ATOM 603 N LEU A 44 -11.213 -8.644 -0.620 1.00 1.00 N ATOM 604 CA LEU A 44 -9.926 -9.339 -0.257 1.00 1.00 C ATOM 605 C LEU A 44 -9.811 -10.762 -0.872 1.00 1.00 C ATOM 606 O LEU A 44 -8.703 -11.207 -1.210 1.00 1.00 O ATOM 607 CB LEU A 44 -9.767 -9.401 1.273 1.00 1.00 C ATOM 608 CG LEU A 44 -9.217 -8.122 1.934 1.00 1.00 C ATOM 609 CD1 LEU A 44 -10.009 -7.782 3.189 1.00 1.00 C ATOM 610 CD2 LEU A 44 -7.738 -8.276 2.276 1.00 1.00 C ATOM 0 H LEU A 44 -11.846 -8.540 0.173 1.00 1.00 H new ATOM 0 HA LEU A 44 -9.116 -8.747 -0.684 1.00 1.00 H new ATOM 0 HB2 LEU A 44 -10.738 -9.628 1.713 1.00 1.00 H new ATOM 0 HB3 LEU A 44 -9.104 -10.230 1.519 1.00 1.00 H new ATOM 0 HG LEU A 44 -9.323 -7.306 1.219 1.00 1.00 H new ATOM 0 HD11 LEU A 44 -9.605 -6.876 3.640 1.00 1.00 H new ATOM 0 HD12 LEU A 44 -11.055 -7.621 2.927 1.00 1.00 H new ATOM 0 HD13 LEU A 44 -9.936 -8.605 3.900 1.00 1.00 H new ATOM 0 HD21 LEU A 44 -7.375 -7.360 2.741 1.00 1.00 H new ATOM 0 HD22 LEU A 44 -7.609 -9.109 2.967 1.00 1.00 H new ATOM 0 HD23 LEU A 44 -7.172 -8.469 1.365 1.00 1.00 H new ATOM 622 N ALA A 45 -11.000 -11.441 -0.992 1.00 1.00 N ATOM 623 CA ALA A 45 -11.169 -12.794 -1.603 1.00 1.00 C ATOM 624 C ALA A 45 -11.046 -12.786 -3.153 1.00 1.00 C ATOM 625 O ALA A 45 -10.617 -13.791 -3.736 1.00 1.00 O ATOM 626 CB ALA A 45 -12.509 -13.383 -1.200 1.00 1.00 C ATOM 0 H ALA A 45 -11.881 -11.050 -0.658 1.00 1.00 H new ATOM 0 HA ALA A 45 -10.355 -13.411 -1.223 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -12.623 -14.369 -1.650 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -12.556 -13.472 -0.115 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -13.312 -12.731 -1.546 1.00 1.00 H new ATOM 632 N GLN A 46 -11.442 -11.628 -3.788 1.00 1.00 N ATOM 633 CA GLN A 46 -11.366 -11.387 -5.262 1.00 1.00 C ATOM 634 C GLN A 46 -9.945 -11.008 -5.735 1.00 1.00 C ATOM 635 O GLN A 46 -9.548 -11.426 -6.823 1.00 1.00 O ATOM 636 CB GLN A 46 -12.356 -10.310 -5.697 1.00 1.00 C ATOM 637 CG GLN A 46 -13.546 -10.861 -6.464 1.00 1.00 C ATOM 638 CD GLN A 46 -14.545 -9.791 -6.847 1.00 1.00 C ATOM 639 OE1 GLN A 46 -15.339 -9.348 -6.020 1.00 1.00 O ATOM 640 NE2 GLN A 46 -14.499 -9.362 -8.103 1.00 1.00 N ATOM 0 H GLN A 46 -11.826 -10.833 -3.277 1.00 1.00 H new ATOM 0 HA GLN A 46 -11.630 -12.333 -5.734 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -12.715 -9.779 -4.815 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -11.838 -9.580 -6.319 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -13.191 -11.360 -7.366 1.00 1.00 H new ATOM 0 HG3 GLN A 46 -14.045 -11.617 -5.857 1.00 1.00 H new ATOM 0 HE21 GLN A 46 -13.822 -9.760 -8.754 1.00 1.00 H new ATOM 0 HE22 GLN A 46 -15.141 -8.634 -8.417 1.00 1.00 H new ATOM 649 N VAL A 47 -9.176 -10.238 -4.878 1.00 1.00 N ATOM 650 CA VAL A 47 -7.740 -9.798 -5.140 1.00 1.00 C ATOM 651 C VAL A 47 -6.791 -11.062 -5.110 1.00 1.00 C ATOM 652 O VAL A 47 -5.898 -11.171 -5.961 1.00 1.00 O ATOM 653 CB VAL A 47 -7.241 -8.625 -4.133 1.00 1.00 C ATOM 654 CG1 VAL A 47 -5.796 -8.114 -4.393 1.00 1.00 C ATOM 655 CG2 VAL A 47 -8.150 -7.389 -4.168 1.00 1.00 C ATOM 0 H VAL A 47 -9.533 -9.903 -3.983 1.00 1.00 H new ATOM 0 HA VAL A 47 -7.698 -9.350 -6.133 1.00 1.00 H new ATOM 0 HB VAL A 47 -7.277 -9.119 -3.162 1.00 1.00 H new ATOM 0 HG11 VAL A 47 -5.551 -7.333 -3.673 1.00 1.00 H new ATOM 0 HG12 VAL A 47 -5.093 -8.940 -4.285 1.00 1.00 H new ATOM 0 HG13 VAL A 47 -5.729 -7.710 -5.403 1.00 1.00 H new ATOM 0 HG21 VAL A 47 -7.769 -6.638 -3.476 1.00 1.00 H new ATOM 0 HG22 VAL A 47 -8.166 -6.978 -5.177 1.00 1.00 H new ATOM 0 HG23 VAL A 47 -9.161 -7.672 -3.875 1.00 1.00 H new ATOM 665 N GLU A 48 -7.046 -11.986 -4.124 1.00 1.00 N ATOM 666 CA GLU A 48 -6.287 -13.274 -3.918 1.00 1.00 C ATOM 667 C GLU A 48 -6.615 -14.370 -4.987 1.00 1.00 C ATOM 668 O GLU A 48 -5.782 -15.263 -5.219 1.00 1.00 O ATOM 669 CB GLU A 48 -6.567 -13.852 -2.510 1.00 1.00 C ATOM 670 CG GLU A 48 -5.949 -13.065 -1.346 1.00 1.00 C ATOM 671 CD GLU A 48 -6.041 -13.797 -0.022 1.00 1.00 C ATOM 672 OE1 GLU A 48 -7.049 -13.611 0.692 1.00 1.00 O ATOM 673 OE2 GLU A 48 -5.100 -14.550 0.306 1.00 1.00 O ATOM 0 H GLU A 48 -7.793 -11.857 -3.441 1.00 1.00 H new ATOM 0 HA GLU A 48 -5.234 -13.015 -4.025 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -7.646 -13.900 -2.363 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -6.194 -14.876 -2.474 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -4.902 -12.859 -1.569 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -6.452 -12.102 -1.258 1.00 1.00 H new ATOM 680 N GLU A 49 -7.832 -14.265 -5.606 1.00 1.00 N ATOM 681 CA GLU A 49 -8.337 -15.196 -6.664 1.00 1.00 C ATOM 682 C GLU A 49 -8.057 -14.697 -8.106 1.00 1.00 C ATOM 683 O GLU A 49 -7.965 -15.531 -9.026 1.00 1.00 O ATOM 684 CB GLU A 49 -9.850 -15.426 -6.508 1.00 1.00 C ATOM 685 CG GLU A 49 -10.234 -16.421 -5.413 1.00 1.00 C ATOM 686 CD GLU A 49 -11.737 -16.603 -5.267 1.00 1.00 C ATOM 687 OE1 GLU A 49 -12.359 -17.234 -6.152 1.00 1.00 O ATOM 688 OE2 GLU A 49 -12.290 -16.131 -4.251 1.00 1.00 O ATOM 0 H GLU A 49 -8.495 -13.524 -5.381 1.00 1.00 H new ATOM 0 HA GLU A 49 -7.790 -16.128 -6.522 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -10.329 -14.470 -6.296 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -10.250 -15.780 -7.458 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -9.778 -17.386 -5.632 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -9.822 -16.082 -4.463 1.00 1.00 H new ATOM 695 N PHE A 50 -7.917 -13.348 -8.272 1.00 1.00 N ATOM 696 CA PHE A 50 -7.653 -12.690 -9.570 1.00 1.00 C ATOM 697 C PHE A 50 -6.185 -12.272 -9.686 1.00 1.00 C ATOM 698 O PHE A 50 -5.553 -11.922 -8.666 1.00 1.00 O ATOM 699 CB PHE A 50 -8.568 -11.457 -9.757 1.00 1.00 C ATOM 700 CG PHE A 50 -9.387 -11.453 -11.034 1.00 1.00 C ATOM 701 CD1 PHE A 50 -8.886 -10.882 -12.202 1.00 1.00 C ATOM 702 CD2 PHE A 50 -10.663 -12.007 -11.064 1.00 1.00 C ATOM 703 CE1 PHE A 50 -9.633 -10.872 -13.364 1.00 1.00 C ATOM 704 CE2 PHE A 50 -11.412 -11.997 -12.225 1.00 1.00 C ATOM 705 CZ PHE A 50 -10.898 -11.429 -13.375 1.00 1.00 C ATOM 0 H PHE A 50 -7.986 -12.690 -7.496 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.871 -13.412 -10.357 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -9.248 -11.396 -8.907 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.951 -10.559 -9.737 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -7.900 -10.441 -12.199 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -11.073 -12.450 -10.169 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -9.229 -10.430 -14.263 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -12.400 -12.433 -12.234 1.00 1.00 H new ATOM 0 HZ PHE A 50 -11.484 -11.420 -14.282 1.00 1.00 H new ATOM 715 N VAL A 51 -5.671 -12.295 -10.950 1.00 1.00 N ATOM 716 CA VAL A 51 -4.282 -11.925 -11.274 1.00 1.00 C ATOM 717 C VAL A 51 -4.213 -10.438 -11.774 1.00 1.00 C ATOM 718 O VAL A 51 -5.216 -9.902 -12.288 1.00 1.00 O ATOM 719 CB VAL A 51 -3.615 -13.029 -12.229 1.00 1.00 C ATOM 720 CG1 VAL A 51 -3.862 -12.885 -13.750 1.00 1.00 C ATOM 721 CG2 VAL A 51 -2.113 -13.147 -11.967 1.00 1.00 C ATOM 0 H VAL A 51 -6.218 -12.572 -11.765 1.00 1.00 H new ATOM 0 HA VAL A 51 -3.659 -11.935 -10.380 1.00 1.00 H new ATOM 0 HB VAL A 51 -4.142 -13.941 -11.949 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -3.357 -13.693 -14.279 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -4.932 -12.933 -13.951 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -3.471 -11.927 -14.093 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -1.687 -13.902 -12.628 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -1.634 -12.186 -12.157 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -1.946 -13.437 -10.930 1.00 1.00 H new ATOM 731 N PHE A 52 -3.018 -9.845 -11.612 1.00 1.00 N ATOM 732 CA PHE A 52 -2.737 -8.447 -12.001 1.00 1.00 C ATOM 733 C PHE A 52 -1.522 -8.387 -12.913 1.00 1.00 C ATOM 734 O PHE A 52 -0.551 -9.136 -12.713 1.00 1.00 O ATOM 735 CB PHE A 52 -2.521 -7.537 -10.760 1.00 1.00 C ATOM 736 CG PHE A 52 -3.713 -7.429 -9.815 1.00 1.00 C ATOM 737 CD1 PHE A 52 -4.717 -6.491 -10.030 1.00 1.00 C ATOM 738 CD2 PHE A 52 -3.824 -8.280 -8.723 1.00 1.00 C ATOM 739 CE1 PHE A 52 -5.798 -6.405 -9.175 1.00 1.00 C ATOM 740 CE2 PHE A 52 -4.905 -8.195 -7.867 1.00 1.00 C ATOM 741 CZ PHE A 52 -5.893 -7.257 -8.095 1.00 1.00 C ATOM 0 H PHE A 52 -2.213 -10.322 -11.205 1.00 1.00 H new ATOM 0 HA PHE A 52 -3.608 -8.073 -12.539 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -1.666 -7.914 -10.198 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -2.260 -6.536 -11.105 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -4.650 -5.822 -10.875 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.056 -9.017 -8.541 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -6.569 -5.670 -9.352 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.978 -8.861 -7.020 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.740 -7.191 -7.428 1.00 1.00 H new ATOM 751 N LYS A 53 -1.591 -7.456 -13.890 1.00 1.00 N ATOM 752 CA LYS A 53 -0.535 -7.236 -14.904 1.00 1.00 C ATOM 753 C LYS A 53 0.387 -6.087 -14.508 1.00 1.00 C ATOM 754 O LYS A 53 -0.098 -5.042 -14.021 1.00 1.00 O ATOM 755 CB LYS A 53 -1.150 -6.937 -16.283 1.00 1.00 C ATOM 756 CG LYS A 53 -1.630 -8.166 -17.046 1.00 1.00 C ATOM 757 CD LYS A 53 -2.289 -7.780 -18.361 1.00 1.00 C ATOM 758 CE LYS A 53 -2.744 -9.002 -19.144 1.00 1.00 C ATOM 759 NZ LYS A 53 -3.395 -8.622 -20.429 1.00 1.00 N ATOM 0 H LYS A 53 -2.389 -6.830 -13.998 1.00 1.00 H new ATOM 0 HA LYS A 53 0.049 -8.154 -14.960 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -1.991 -6.257 -16.151 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -0.410 -6.415 -16.890 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -0.786 -8.828 -17.241 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -2.338 -8.724 -16.433 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -3.145 -7.135 -18.163 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -1.588 -7.202 -18.963 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -1.887 -9.644 -19.346 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -3.442 -9.582 -18.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -3.692 -9.481 -20.935 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -4.227 -8.030 -20.235 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -2.721 -8.090 -21.016 1.00 1.00 H new ATOM 773 N CYS A 54 1.718 -6.309 -14.716 1.00 1.00 N ATOM 774 CA CYS A 54 2.758 -5.308 -14.425 1.00 1.00 C ATOM 775 C CYS A 54 3.069 -4.461 -15.718 1.00 1.00 C ATOM 776 O CYS A 54 3.652 -5.028 -16.677 1.00 1.00 O ATOM 777 CB CYS A 54 4.038 -5.948 -13.844 1.00 1.00 C ATOM 778 SG CYS A 54 5.207 -4.729 -13.141 1.00 1.00 S ATOM 0 H CYS A 54 2.086 -7.185 -15.088 1.00 1.00 H new ATOM 0 HA CYS A 54 2.374 -4.639 -13.655 1.00 1.00 H new ATOM 0 HB2 CYS A 54 3.759 -6.661 -13.068 1.00 1.00 H new ATOM 0 HB3 CYS A 54 4.542 -6.512 -14.629 1.00 1.00 H new ATOM 783 N PRO A 55 2.618 -3.099 -15.838 1.00 1.00 N ATOM 784 CA PRO A 55 2.935 -2.221 -17.039 1.00 1.00 C ATOM 785 C PRO A 55 4.436 -1.808 -17.151 1.00 1.00 C ATOM 786 O PRO A 55 4.859 -1.245 -18.178 1.00 1.00 O ATOM 787 CB PRO A 55 2.077 -0.952 -16.810 1.00 1.00 C ATOM 788 CG PRO A 55 1.034 -1.361 -15.828 1.00 1.00 C ATOM 789 CD PRO A 55 1.736 -2.307 -14.901 1.00 1.00 C ATOM 0 HA PRO A 55 2.723 -2.761 -17.962 1.00 1.00 H new ATOM 0 HB2 PRO A 55 2.682 -0.132 -16.424 1.00 1.00 H new ATOM 0 HB3 PRO A 55 1.628 -0.606 -17.741 1.00 1.00 H new ATOM 0 HG2 PRO A 55 0.637 -0.500 -15.290 1.00 1.00 H new ATOM 0 HG3 PRO A 55 0.191 -1.844 -16.323 1.00 1.00 H new ATOM 0 HD2 PRO A 55 2.319 -1.777 -14.147 1.00 1.00 H new ATOM 0 HD3 PRO A 55 1.033 -2.948 -14.368 1.00 1.00 H new ATOM 797 N VAL A 56 5.215 -2.144 -16.078 1.00 1.00 N ATOM 798 CA VAL A 56 6.667 -1.827 -15.914 1.00 1.00 C ATOM 799 C VAL A 56 7.549 -2.929 -16.602 1.00 1.00 C ATOM 800 O VAL A 56 8.441 -2.573 -17.394 1.00 1.00 O ATOM 801 CB VAL A 56 7.110 -1.637 -14.374 1.00 1.00 C ATOM 802 CG1 VAL A 56 8.367 -0.758 -14.223 1.00 1.00 C ATOM 803 CG2 VAL A 56 6.014 -1.050 -13.450 1.00 1.00 C ATOM 0 H VAL A 56 4.838 -2.657 -15.281 1.00 1.00 H new ATOM 0 HA VAL A 56 6.830 -0.867 -16.404 1.00 1.00 H new ATOM 0 HB VAL A 56 7.315 -2.659 -14.055 1.00 1.00 H new ATOM 0 HG11 VAL A 56 8.620 -0.664 -13.167 1.00 1.00 H new ATOM 0 HG12 VAL A 56 9.199 -1.218 -14.756 1.00 1.00 H new ATOM 0 HG13 VAL A 56 8.172 0.230 -14.639 1.00 1.00 H new ATOM 0 HG21 VAL A 56 6.403 -0.959 -12.436 1.00 1.00 H new ATOM 0 HG22 VAL A 56 5.719 -0.066 -13.815 1.00 1.00 H new ATOM 0 HG23 VAL A 56 5.147 -1.711 -13.448 1.00 1.00 H new ATOM 813 N CYS A 57 7.273 -4.229 -16.276 1.00 1.00 N ATOM 814 CA CYS A 57 8.016 -5.381 -16.832 1.00 1.00 C ATOM 815 C CYS A 57 7.205 -6.132 -17.913 1.00 1.00 C ATOM 816 O CYS A 57 7.753 -6.373 -19.007 1.00 1.00 O ATOM 817 CB CYS A 57 8.514 -6.319 -15.702 1.00 1.00 C ATOM 818 SG CYS A 57 7.214 -7.162 -14.724 1.00 1.00 S ATOM 0 H CYS A 57 6.534 -4.495 -15.625 1.00 1.00 H new ATOM 0 HA CYS A 57 8.899 -4.991 -17.339 1.00 1.00 H new ATOM 0 HB2 CYS A 57 9.157 -7.079 -16.145 1.00 1.00 H new ATOM 0 HB3 CYS A 57 9.133 -5.736 -15.020 1.00 1.00 H new ATOM 823 N GLY A 58 5.921 -6.486 -17.593 1.00 1.00 N ATOM 824 CA GLY A 58 5.019 -7.200 -18.530 1.00 1.00 C ATOM 825 C GLY A 58 4.541 -8.575 -18.023 1.00 1.00 C ATOM 826 O GLY A 58 3.783 -9.253 -18.742 1.00 1.00 O ATOM 0 H GLY A 58 5.495 -6.284 -16.688 1.00 1.00 H new ATOM 0 HA2 GLY A 58 4.148 -6.575 -18.726 1.00 1.00 H new ATOM 0 HA3 GLY A 58 5.534 -7.335 -19.481 1.00 1.00 H new ATOM 830 N GLU A 59 5.003 -8.973 -16.795 1.00 1.00 N ATOM 831 CA GLU A 59 4.647 -10.243 -16.120 1.00 1.00 C ATOM 832 C GLU A 59 3.453 -10.059 -15.162 1.00 1.00 C ATOM 833 O GLU A 59 3.266 -8.960 -14.603 1.00 1.00 O ATOM 834 CB GLU A 59 5.875 -10.787 -15.368 1.00 1.00 C ATOM 835 CG GLU A 59 6.793 -11.672 -16.228 1.00 1.00 C ATOM 836 CD GLU A 59 6.477 -13.157 -16.101 1.00 1.00 C ATOM 837 OE1 GLU A 59 6.863 -13.763 -15.079 1.00 1.00 O ATOM 838 OE2 GLU A 59 5.846 -13.709 -17.026 1.00 1.00 O ATOM 0 H GLU A 59 5.645 -8.401 -16.246 1.00 1.00 H new ATOM 0 HA GLU A 59 4.342 -10.965 -16.878 1.00 1.00 H new ATOM 0 HB2 GLU A 59 6.454 -9.948 -14.983 1.00 1.00 H new ATOM 0 HB3 GLU A 59 5.535 -11.362 -14.507 1.00 1.00 H new ATOM 0 HG2 GLU A 59 6.701 -11.375 -17.273 1.00 1.00 H new ATOM 0 HG3 GLU A 59 7.830 -11.501 -15.938 1.00 1.00 H new ATOM 845 N GLU A 60 2.671 -11.162 -14.981 1.00 1.00 N ATOM 846 CA GLU A 60 1.452 -11.203 -14.129 1.00 1.00 C ATOM 847 C GLU A 60 1.773 -11.747 -12.728 1.00 1.00 C ATOM 848 O GLU A 60 2.530 -12.725 -12.601 1.00 1.00 O ATOM 849 CB GLU A 60 0.356 -12.052 -14.806 1.00 1.00 C ATOM 850 CG GLU A 60 -0.362 -11.335 -15.956 1.00 1.00 C ATOM 851 CD GLU A 60 -1.291 -12.240 -16.742 1.00 1.00 C ATOM 852 OE1 GLU A 60 -0.797 -12.983 -17.616 1.00 1.00 O ATOM 853 OE2 GLU A 60 -2.511 -12.201 -16.490 1.00 1.00 O ATOM 0 H GLU A 60 2.874 -12.056 -15.429 1.00 1.00 H new ATOM 0 HA GLU A 60 1.083 -10.184 -14.013 1.00 1.00 H new ATOM 0 HB2 GLU A 60 0.804 -12.970 -15.186 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -0.380 -12.343 -14.056 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -0.935 -10.500 -15.553 1.00 1.00 H new ATOM 0 HG3 GLU A 60 0.382 -10.914 -16.633 1.00 1.00 H new ATOM 860 N PHE A 61 1.170 -11.089 -11.708 1.00 1.00 N ATOM 861 CA PHE A 61 1.335 -11.408 -10.268 1.00 1.00 C ATOM 862 C PHE A 61 -0.046 -11.622 -9.615 1.00 1.00 C ATOM 863 O PHE A 61 -1.003 -10.904 -9.959 1.00 1.00 O ATOM 864 CB PHE A 61 2.177 -10.303 -9.527 1.00 1.00 C ATOM 865 CG PHE A 61 1.688 -8.849 -9.616 1.00 1.00 C ATOM 866 CD1 PHE A 61 2.090 -8.026 -10.656 1.00 1.00 C ATOM 867 CD2 PHE A 61 0.821 -8.340 -8.661 1.00 1.00 C ATOM 868 CE1 PHE A 61 1.638 -6.723 -10.740 1.00 1.00 C ATOM 869 CE2 PHE A 61 0.368 -7.038 -8.738 1.00 1.00 C ATOM 870 CZ PHE A 61 0.775 -6.229 -9.780 1.00 1.00 C ATOM 0 H PHE A 61 0.540 -10.303 -11.867 1.00 1.00 H new ATOM 0 HA PHE A 61 1.898 -12.337 -10.177 1.00 1.00 H new ATOM 0 HB2 PHE A 61 2.231 -10.574 -8.473 1.00 1.00 H new ATOM 0 HB3 PHE A 61 3.194 -10.339 -9.918 1.00 1.00 H new ATOM 0 HD1 PHE A 61 2.764 -8.407 -11.409 1.00 1.00 H new ATOM 0 HD2 PHE A 61 0.496 -8.970 -7.846 1.00 1.00 H new ATOM 0 HE1 PHE A 61 1.959 -6.091 -11.555 1.00 1.00 H new ATOM 0 HE2 PHE A 61 -0.303 -6.653 -7.985 1.00 1.00 H new ATOM 0 HZ PHE A 61 0.419 -5.211 -9.845 1.00 1.00 H new ATOM 880 N TYR A 62 -0.115 -12.587 -8.670 1.00 1.00 N ATOM 881 CA TYR A 62 -1.363 -12.955 -7.959 1.00 1.00 C ATOM 882 C TYR A 62 -1.460 -12.294 -6.572 1.00 1.00 C ATOM 883 O TYR A 62 -0.428 -12.024 -5.937 1.00 1.00 O ATOM 884 CB TYR A 62 -1.460 -14.493 -7.830 1.00 1.00 C ATOM 885 CG TYR A 62 -1.834 -15.232 -9.116 1.00 1.00 C ATOM 886 CD1 TYR A 62 -3.168 -15.428 -9.486 1.00 1.00 C ATOM 887 CD2 TYR A 62 -0.848 -15.748 -9.953 1.00 1.00 C ATOM 888 CE1 TYR A 62 -3.498 -16.110 -10.641 1.00 1.00 C ATOM 889 CE2 TYR A 62 -1.176 -16.429 -11.112 1.00 1.00 C ATOM 890 CZ TYR A 62 -2.500 -16.607 -11.451 1.00 1.00 C ATOM 891 OH TYR A 62 -2.827 -17.285 -12.603 1.00 1.00 O ATOM 0 H TYR A 62 0.695 -13.134 -8.378 1.00 1.00 H new ATOM 0 HA TYR A 62 -2.201 -12.584 -8.550 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -0.501 -14.873 -7.477 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -2.199 -14.732 -7.065 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -3.955 -15.039 -8.857 1.00 1.00 H new ATOM 0 HD2 TYR A 62 0.192 -15.614 -9.693 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -4.535 -16.253 -10.908 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -0.397 -16.820 -11.749 1.00 1.00 H new ATOM 0 HH TYR A 62 -2.007 -17.568 -13.060 1.00 1.00 H new ATOM 901 N GLY A 63 -2.738 -12.038 -6.128 1.00 1.00 N ATOM 902 CA GLY A 63 -3.056 -11.427 -4.799 1.00 1.00 C ATOM 903 C GLY A 63 -2.899 -12.383 -3.587 1.00 1.00 C ATOM 904 O GLY A 63 -2.993 -11.934 -2.431 1.00 1.00 O ATOM 0 H GLY A 63 -3.567 -12.250 -6.683 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -2.409 -10.563 -4.648 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -4.081 -11.057 -4.821 1.00 1.00 H new ATOM 908 N LYS A 64 -2.667 -13.694 -3.904 1.00 1.00 N ATOM 909 CA LYS A 64 -2.432 -14.789 -2.924 1.00 1.00 C ATOM 910 C LYS A 64 -0.922 -14.895 -2.518 1.00 1.00 C ATOM 911 O LYS A 64 -0.616 -15.458 -1.454 1.00 1.00 O ATOM 912 CB LYS A 64 -2.947 -16.124 -3.490 1.00 1.00 C ATOM 913 CG LYS A 64 -3.667 -17.006 -2.464 1.00 1.00 C ATOM 914 CD LYS A 64 -4.289 -18.238 -3.102 1.00 1.00 C ATOM 915 CE LYS A 64 -5.010 -19.083 -2.063 1.00 1.00 C ATOM 916 NZ LYS A 64 -5.604 -20.310 -2.659 1.00 1.00 N ATOM 0 H LYS A 64 -2.639 -14.020 -4.870 1.00 1.00 H new ATOM 0 HA LYS A 64 -2.989 -14.553 -2.017 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -3.628 -15.917 -4.316 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -2.105 -16.680 -3.903 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -2.960 -17.315 -1.694 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -4.444 -16.424 -1.969 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -4.990 -17.935 -3.880 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -3.514 -18.832 -3.586 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -4.311 -19.364 -1.275 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -5.796 -18.490 -1.595 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -6.086 -20.858 -1.918 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -6.290 -20.042 -3.393 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -4.852 -20.889 -3.083 1.00 1.00 H new ATOM 930 N THR A 65 -0.020 -14.336 -3.388 1.00 1.00 N ATOM 931 CA THR A 65 1.461 -14.308 -3.184 1.00 1.00 C ATOM 932 C THR A 65 1.952 -12.980 -2.501 1.00 1.00 C ATOM 933 O THR A 65 3.168 -12.829 -2.234 1.00 1.00 O ATOM 934 CB THR A 65 2.247 -14.521 -4.527 1.00 1.00 C ATOM 935 OG1 THR A 65 1.713 -13.697 -5.568 1.00 1.00 O ATOM 936 CG2 THR A 65 2.237 -15.979 -4.984 1.00 1.00 C ATOM 0 H THR A 65 -0.308 -13.889 -4.258 1.00 1.00 H new ATOM 0 HA THR A 65 1.675 -15.140 -2.513 1.00 1.00 H new ATOM 0 HB THR A 65 3.280 -14.236 -4.326 1.00 1.00 H new ATOM 0 HG1 THR A 65 0.994 -13.137 -5.206 1.00 1.00 H new ATOM 0 HG21 THR A 65 2.794 -16.072 -5.916 1.00 1.00 H new ATOM 0 HG22 THR A 65 2.702 -16.603 -4.220 1.00 1.00 H new ATOM 0 HG23 THR A 65 1.209 -16.304 -5.142 1.00 1.00 H new ATOM 944 N LEU A 66 0.980 -12.064 -2.159 1.00 1.00 N ATOM 945 CA LEU A 66 1.245 -10.751 -1.507 1.00 1.00 C ATOM 946 C LEU A 66 1.190 -10.872 0.053 1.00 1.00 C ATOM 947 O LEU A 66 0.347 -11.657 0.534 1.00 1.00 O ATOM 948 CB LEU A 66 0.221 -9.685 -1.962 1.00 1.00 C ATOM 949 CG LEU A 66 0.687 -8.673 -3.034 1.00 1.00 C ATOM 950 CD1 LEU A 66 0.111 -9.012 -4.403 1.00 1.00 C ATOM 951 CD2 LEU A 66 0.275 -7.264 -2.629 1.00 1.00 C ATOM 0 H LEU A 66 -0.011 -12.228 -2.334 1.00 1.00 H new ATOM 0 HA LEU A 66 2.246 -10.443 -1.810 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -0.658 -10.203 -2.345 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -0.097 -9.124 -1.083 1.00 1.00 H new ATOM 0 HG LEU A 66 1.773 -8.728 -3.103 1.00 1.00 H new ATOM 0 HD11 LEU A 66 0.457 -8.282 -5.134 1.00 1.00 H new ATOM 0 HD12 LEU A 66 0.441 -10.008 -4.700 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -0.978 -8.989 -4.355 1.00 1.00 H new ATOM 0 HD21 LEU A 66 0.606 -6.556 -3.388 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -0.810 -7.215 -2.535 1.00 1.00 H new ATOM 0 HD23 LEU A 66 0.733 -7.012 -1.673 1.00 1.00 H new ATOM 963 N PRO A 67 2.064 -10.096 0.903 1.00 1.00 N ATOM 964 CA PRO A 67 2.037 -10.184 2.415 1.00 1.00 C ATOM 965 C PRO A 67 0.725 -9.660 3.075 1.00 1.00 C ATOM 966 O PRO A 67 0.006 -8.861 2.451 1.00 1.00 O ATOM 967 CB PRO A 67 3.257 -9.317 2.854 1.00 1.00 C ATOM 968 CG PRO A 67 3.513 -8.362 1.719 1.00 1.00 C ATOM 969 CD PRO A 67 3.169 -9.138 0.472 1.00 1.00 C ATOM 0 HA PRO A 67 2.082 -11.225 2.736 1.00 1.00 H new ATOM 0 HB2 PRO A 67 3.042 -8.778 3.777 1.00 1.00 H new ATOM 0 HB3 PRO A 67 4.131 -9.940 3.045 1.00 1.00 H new ATOM 0 HG2 PRO A 67 2.897 -7.467 1.810 1.00 1.00 H new ATOM 0 HG3 PRO A 67 4.552 -8.034 1.706 1.00 1.00 H new ATOM 0 HD2 PRO A 67 2.830 -8.476 -0.325 1.00 1.00 H new ATOM 0 HD3 PRO A 67 4.035 -9.679 0.091 1.00 1.00 H new ATOM 977 N ARG A 68 0.453 -10.125 4.345 1.00 1.00 N ATOM 978 CA ARG A 68 -0.747 -9.721 5.176 1.00 1.00 C ATOM 979 C ARG A 68 -0.777 -8.200 5.505 1.00 1.00 C ATOM 980 O ARG A 68 -1.865 -7.612 5.608 1.00 1.00 O ATOM 981 CB ARG A 68 -0.851 -10.558 6.464 1.00 1.00 C ATOM 982 CG ARG A 68 -1.455 -11.947 6.242 1.00 1.00 C ATOM 983 CD ARG A 68 -1.493 -12.764 7.522 1.00 1.00 C ATOM 984 NE ARG A 68 -2.169 -14.079 7.327 1.00 1.00 N ATOM 985 CZ ARG A 68 -2.644 -14.921 8.301 1.00 1.00 C ATOM 986 NH1 ARG A 68 -2.572 -14.654 9.621 1.00 1.00 N ATOM 987 NH2 ARG A 68 -3.215 -16.060 7.929 1.00 1.00 N ATOM 0 H ARG A 68 1.060 -10.791 4.823 1.00 1.00 H new ATOM 0 HA ARG A 68 -1.621 -9.928 4.558 1.00 1.00 H new ATOM 0 HB2 ARG A 68 0.143 -10.668 6.898 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -1.458 -10.018 7.191 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -2.466 -11.844 5.848 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -0.873 -12.479 5.490 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -0.476 -12.929 7.877 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -2.013 -12.200 8.296 1.00 1.00 H new ATOM 0 HE ARG A 68 -2.292 -14.387 6.362 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -2.146 -13.785 9.943 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -2.944 -15.321 10.297 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -3.293 -16.292 6.939 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -3.576 -16.703 8.633 1.00 1.00 H new ATOM 1001 N ARG A 69 0.458 -7.591 5.673 1.00 1.00 N ATOM 1002 CA ARG A 69 0.685 -6.107 5.898 1.00 1.00 C ATOM 1003 C ARG A 69 0.085 -5.230 4.753 1.00 1.00 C ATOM 1004 O ARG A 69 -0.481 -4.163 5.038 1.00 1.00 O ATOM 1005 CB ARG A 69 2.192 -5.798 6.050 1.00 1.00 C ATOM 1006 CG ARG A 69 2.810 -6.231 7.380 1.00 1.00 C ATOM 1007 CD ARG A 69 4.303 -5.956 7.410 1.00 1.00 C ATOM 1008 NE ARG A 69 4.909 -6.318 8.718 1.00 1.00 N ATOM 1009 CZ ARG A 69 6.237 -6.285 9.057 1.00 1.00 C ATOM 1010 NH1 ARG A 69 7.219 -5.931 8.202 1.00 1.00 N ATOM 1011 NH2 ARG A 69 6.580 -6.622 10.292 1.00 1.00 N ATOM 0 H ARG A 69 1.329 -8.122 5.656 1.00 1.00 H new ATOM 0 HA ARG A 69 0.165 -5.852 6.821 1.00 1.00 H new ATOM 0 HB2 ARG A 69 2.731 -6.288 5.239 1.00 1.00 H new ATOM 0 HB3 ARG A 69 2.341 -4.725 5.929 1.00 1.00 H new ATOM 0 HG2 ARG A 69 2.324 -5.701 8.199 1.00 1.00 H new ATOM 0 HG3 ARG A 69 2.631 -7.295 7.538 1.00 1.00 H new ATOM 0 HD2 ARG A 69 4.792 -6.520 6.615 1.00 1.00 H new ATOM 0 HD3 ARG A 69 4.481 -4.900 7.207 1.00 1.00 H new ATOM 0 HE ARG A 69 4.264 -6.626 9.446 1.00 1.00 H new ATOM 0 HH11 ARG A 69 6.990 -5.668 7.243 1.00 1.00 H new ATOM 0 HH12 ARG A 69 8.190 -5.926 8.514 1.00 1.00 H new ATOM 0 HH21 ARG A 69 5.863 -6.897 10.963 1.00 1.00 H new ATOM 0 HH22 ARG A 69 7.561 -6.606 10.571 1.00 1.00 H new ATOM 1025 N GLU A 70 0.240 -5.708 3.463 1.00 1.00 N ATOM 1026 CA GLU A 70 -0.353 -5.081 2.234 1.00 1.00 C ATOM 1027 C GLU A 70 -1.873 -5.388 2.095 1.00 1.00 C ATOM 1028 O GLU A 70 -2.612 -4.585 1.505 1.00 1.00 O ATOM 1029 CB GLU A 70 0.385 -5.546 0.973 1.00 1.00 C ATOM 1030 CG GLU A 70 1.667 -4.776 0.688 1.00 1.00 C ATOM 1031 CD GLU A 70 2.371 -5.251 -0.567 1.00 1.00 C ATOM 1032 OE1 GLU A 70 2.005 -4.782 -1.663 1.00 1.00 O ATOM 1033 OE2 GLU A 70 3.285 -6.092 -0.453 1.00 1.00 O ATOM 0 H GLU A 70 0.785 -6.545 3.256 1.00 1.00 H new ATOM 0 HA GLU A 70 -0.235 -4.003 2.344 1.00 1.00 H new ATOM 0 HB2 GLU A 70 0.624 -6.605 1.073 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -0.283 -5.450 0.117 1.00 1.00 H new ATOM 0 HG2 GLU A 70 1.434 -3.716 0.589 1.00 1.00 H new ATOM 0 HG3 GLU A 70 2.342 -4.876 1.538 1.00 1.00 H new ATOM 1040 N ALA A 71 -2.303 -6.581 2.650 1.00 1.00 N ATOM 1041 CA ALA A 71 -3.725 -7.063 2.705 1.00 1.00 C ATOM 1042 C ALA A 71 -4.604 -6.207 3.660 1.00 1.00 C ATOM 1043 O ALA A 71 -5.808 -6.037 3.408 1.00 1.00 O ATOM 1044 CB ALA A 71 -3.764 -8.526 3.130 1.00 1.00 C ATOM 0 H ALA A 71 -1.652 -7.240 3.077 1.00 1.00 H new ATOM 0 HA ALA A 71 -4.141 -6.959 1.703 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -4.799 -8.867 3.167 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -3.209 -9.129 2.411 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -3.312 -8.631 4.116 1.00 1.00 H new ATOM 1050 N GLU A 72 -3.953 -5.691 4.765 1.00 1.00 N ATOM 1051 CA GLU A 72 -4.561 -4.790 5.793 1.00 1.00 C ATOM 1052 C GLU A 72 -4.821 -3.350 5.253 1.00 1.00 C ATOM 1053 O GLU A 72 -5.697 -2.644 5.773 1.00 1.00 O ATOM 1054 CB GLU A 72 -3.667 -4.731 7.041 1.00 1.00 C ATOM 1055 CG GLU A 72 -3.945 -5.848 8.063 1.00 1.00 C ATOM 1056 CD GLU A 72 -4.965 -5.444 9.123 1.00 1.00 C ATOM 1057 OE1 GLU A 72 -4.578 -4.746 10.084 1.00 1.00 O ATOM 1058 OE2 GLU A 72 -6.148 -5.822 8.983 1.00 1.00 O ATOM 0 H GLU A 72 -2.974 -5.900 4.960 1.00 1.00 H new ATOM 0 HA GLU A 72 -5.531 -5.214 6.054 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -2.624 -4.788 6.731 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -3.803 -3.765 7.528 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -4.306 -6.732 7.538 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -3.011 -6.126 8.552 1.00 1.00 H new ATOM 1065 N LYS A 73 -4.023 -2.948 4.197 1.00 1.00 N ATOM 1066 CA LYS A 73 -4.135 -1.642 3.451 1.00 1.00 C ATOM 1067 C LYS A 73 -5.439 -1.558 2.603 1.00 1.00 C ATOM 1068 O LYS A 73 -5.961 -0.459 2.366 1.00 1.00 O ATOM 1069 CB LYS A 73 -2.916 -1.413 2.537 1.00 1.00 C ATOM 1070 CG LYS A 73 -1.653 -0.951 3.266 1.00 1.00 C ATOM 1071 CD LYS A 73 -0.483 -0.764 2.312 1.00 1.00 C ATOM 1072 CE LYS A 73 0.782 -0.365 3.059 1.00 1.00 C ATOM 1073 NZ LYS A 73 1.952 -0.239 2.148 1.00 1.00 N ATOM 0 H LYS A 73 -3.272 -3.537 3.838 1.00 1.00 H new ATOM 0 HA LYS A 73 -4.168 -0.860 4.209 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -2.696 -2.340 2.008 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -3.177 -0.670 1.784 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -1.855 -0.012 3.782 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -1.386 -1.683 4.029 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -0.307 -1.689 1.763 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -0.730 0.001 1.576 1.00 1.00 H new ATOM 0 HE2 LYS A 73 0.617 0.583 3.570 1.00 1.00 H new ATOM 0 HE3 LYS A 73 0.999 -1.108 3.827 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 2.685 0.343 2.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 2.337 -1.184 1.944 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 1.653 0.212 1.260 1.00 1.00 H new ATOM 1087 N VAL A 74 -5.939 -2.772 2.165 1.00 1.00 N ATOM 1088 CA VAL A 74 -7.211 -2.986 1.366 1.00 1.00 C ATOM 1089 C VAL A 74 -8.464 -2.616 2.250 1.00 1.00 C ATOM 1090 O VAL A 74 -9.430 -2.077 1.722 1.00 1.00 O ATOM 1091 CB VAL A 74 -7.359 -4.469 0.743 1.00 1.00 C ATOM 1092 CG1 VAL A 74 -8.374 -4.534 -0.420 1.00 1.00 C ATOM 1093 CG2 VAL A 74 -6.035 -5.055 0.220 1.00 1.00 C ATOM 0 H VAL A 74 -5.457 -3.649 2.363 1.00 1.00 H new ATOM 0 HA VAL A 74 -7.153 -2.320 0.505 1.00 1.00 H new ATOM 0 HB VAL A 74 -7.711 -5.061 1.588 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -8.430 -5.555 -0.797 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -9.356 -4.225 -0.063 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -8.053 -3.868 -1.221 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -6.212 -6.052 -0.183 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -5.637 -4.412 -0.565 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -5.316 -5.117 1.037 1.00 1.00 H new ATOM 1103 N PHE A 75 -8.426 -2.961 3.584 1.00 1.00 N ATOM 1104 CA PHE A 75 -9.481 -2.616 4.605 1.00 1.00 C ATOM 1105 C PHE A 75 -9.638 -1.080 4.838 1.00 1.00 C ATOM 1106 O PHE A 75 -10.724 -0.623 5.226 1.00 1.00 O ATOM 1107 CB PHE A 75 -9.135 -3.277 5.952 1.00 1.00 C ATOM 1108 CG PHE A 75 -10.295 -3.959 6.652 1.00 1.00 C ATOM 1109 CD1 PHE A 75 -11.146 -3.248 7.499 1.00 1.00 C ATOM 1110 CD2 PHE A 75 -10.522 -5.318 6.476 1.00 1.00 C ATOM 1111 CE1 PHE A 75 -12.193 -3.879 8.142 1.00 1.00 C ATOM 1112 CE2 PHE A 75 -11.566 -5.949 7.122 1.00 1.00 C ATOM 1113 CZ PHE A 75 -12.402 -5.230 7.955 1.00 1.00 C ATOM 0 H PHE A 75 -7.652 -3.492 3.983 1.00 1.00 H new ATOM 0 HA PHE A 75 -10.425 -2.989 4.207 1.00 1.00 H new ATOM 0 HB2 PHE A 75 -8.348 -4.013 5.786 1.00 1.00 H new ATOM 0 HB3 PHE A 75 -8.726 -2.517 6.617 1.00 1.00 H new ATOM 0 HD1 PHE A 75 -10.984 -2.191 7.654 1.00 1.00 H new ATOM 0 HD2 PHE A 75 -9.874 -5.888 5.826 1.00 1.00 H new ATOM 0 HE1 PHE A 75 -12.847 -3.315 8.791 1.00 1.00 H new ATOM 0 HE2 PHE A 75 -11.730 -7.007 6.976 1.00 1.00 H new ATOM 0 HZ PHE A 75 -13.219 -5.725 8.459 1.00 1.00 H new ATOM 1123 N GLU A 76 -8.509 -0.311 4.594 1.00 1.00 N ATOM 1124 CA GLU A 76 -8.409 1.176 4.757 1.00 1.00 C ATOM 1125 C GLU A 76 -9.261 1.948 3.706 1.00 1.00 C ATOM 1126 O GLU A 76 -9.905 2.936 4.072 1.00 1.00 O ATOM 1127 CB GLU A 76 -6.927 1.620 4.680 1.00 1.00 C ATOM 1128 CG GLU A 76 -6.565 2.761 5.629 1.00 1.00 C ATOM 1129 CD GLU A 76 -5.113 3.178 5.523 1.00 1.00 C ATOM 1130 OE1 GLU A 76 -4.787 3.964 4.607 1.00 1.00 O ATOM 1131 OE2 GLU A 76 -4.300 2.721 6.353 1.00 1.00 O ATOM 0 H GLU A 76 -7.635 -0.727 4.273 1.00 1.00 H new ATOM 0 HA GLU A 76 -8.813 1.423 5.739 1.00 1.00 H new ATOM 0 HB2 GLU A 76 -6.291 0.763 4.901 1.00 1.00 H new ATOM 0 HB3 GLU A 76 -6.704 1.928 3.658 1.00 1.00 H new ATOM 0 HG2 GLU A 76 -7.201 3.620 5.415 1.00 1.00 H new ATOM 0 HG3 GLU A 76 -6.776 2.455 6.654 1.00 1.00 H new ATOM 1138 N LEU A 77 -9.246 1.464 2.417 1.00 1.00 N ATOM 1139 CA LEU A 77 -10.038 2.036 1.277 1.00 1.00 C ATOM 1140 C LEU A 77 -11.571 1.748 1.401 1.00 1.00 C ATOM 1141 O LEU A 77 -12.392 2.549 0.929 1.00 1.00 O ATOM 1142 CB LEU A 77 -9.493 1.566 -0.115 1.00 1.00 C ATOM 1143 CG LEU A 77 -9.203 0.059 -0.349 1.00 1.00 C ATOM 1144 CD1 LEU A 77 -10.393 -0.626 -1.003 1.00 1.00 C ATOM 1145 CD2 LEU A 77 -7.942 -0.136 -1.184 1.00 1.00 C ATOM 0 H LEU A 77 -8.679 0.661 2.143 1.00 1.00 H new ATOM 0 HA LEU A 77 -9.908 3.116 1.339 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.211 1.883 -0.872 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.568 2.111 -0.305 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.036 -0.403 0.624 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -10.166 -1.681 -1.157 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -11.266 -0.533 -0.357 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -10.601 -0.156 -1.964 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -7.764 -1.201 -1.331 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -8.068 0.348 -2.152 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -7.091 0.306 -0.666 1.00 1.00 H new ATOM 1157 N LEU A 78 -11.900 0.575 2.044 1.00 1.00 N ATOM 1158 CA LEU A 78 -13.287 0.106 2.342 1.00 1.00 C ATOM 1159 C LEU A 78 -13.922 0.839 3.568 1.00 1.00 C ATOM 1160 O LEU A 78 -15.160 0.909 3.660 1.00 1.00 O ATOM 1161 CB LEU A 78 -13.285 -1.409 2.584 1.00 1.00 C ATOM 1162 CG LEU A 78 -13.343 -2.285 1.317 1.00 1.00 C ATOM 1163 CD1 LEU A 78 -12.232 -3.316 1.292 1.00 1.00 C ATOM 1164 CD2 LEU A 78 -14.691 -2.975 1.210 1.00 1.00 C ATOM 0 H LEU A 78 -11.188 -0.077 2.372 1.00 1.00 H new ATOM 0 HA LEU A 78 -13.900 0.346 1.473 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.386 -1.669 3.143 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -14.137 -1.659 3.216 1.00 1.00 H new ATOM 0 HG LEU A 78 -13.206 -1.625 0.460 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -12.309 -3.912 0.383 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -11.266 -2.811 1.314 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -12.320 -3.967 2.162 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -14.715 -3.589 0.310 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -14.847 -3.607 2.085 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -15.480 -2.225 1.159 1.00 1.00 H new ATOM 1176 N ASN A 79 -13.042 1.357 4.483 1.00 1.00 N ATOM 1177 CA ASN A 79 -13.431 2.125 5.691 1.00 1.00 C ATOM 1178 C ASN A 79 -13.367 3.664 5.457 1.00 1.00 C ATOM 1179 O ASN A 79 -13.972 4.427 6.240 1.00 1.00 O ATOM 1180 CB ASN A 79 -12.529 1.732 6.869 1.00 1.00 C ATOM 1181 CG ASN A 79 -13.180 0.711 7.784 1.00 1.00 C ATOM 1182 OD1 ASN A 79 -13.871 1.069 8.739 1.00 1.00 O ATOM 1183 ND2 ASN A 79 -12.963 -0.568 7.497 1.00 1.00 N ATOM 0 H ASN A 79 -12.032 1.246 4.392 1.00 1.00 H new ATOM 0 HA ASN A 79 -14.467 1.876 5.920 1.00 1.00 H new ATOM 0 HB2 ASN A 79 -11.592 1.327 6.486 1.00 1.00 H new ATOM 0 HB3 ASN A 79 -12.279 2.623 7.444 1.00 1.00 H new ATOM 0 HD21 ASN A 79 -13.376 -1.298 8.078 1.00 1.00 H new ATOM 0 HD22 ASN A 79 -12.384 -0.820 6.696 1.00 1.00 H new ATOM 1190 N ASP A 80 -12.653 4.089 4.365 1.00 1.00 N ATOM 1191 CA ASP A 80 -12.481 5.497 3.980 1.00 1.00 C ATOM 1192 C ASP A 80 -13.300 5.810 2.696 1.00 1.00 C ATOM 1193 O ASP A 80 -12.766 6.148 1.605 1.00 1.00 O ATOM 1194 CB ASP A 80 -10.982 5.838 3.838 1.00 1.00 C ATOM 1195 CG ASP A 80 -10.310 6.142 5.163 1.00 1.00 C ATOM 1196 OD1 ASP A 80 -10.582 7.221 5.734 1.00 1.00 O ATOM 1197 OD2 ASP A 80 -9.507 5.306 5.627 1.00 1.00 O ATOM 0 H ASP A 80 -12.183 3.442 3.732 1.00 1.00 H new ATOM 0 HA ASP A 80 -12.874 6.140 4.767 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -10.470 5.002 3.361 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -10.873 6.698 3.177 1.00 1.00 H new ATOM 1202 N PHE A 81 -14.646 5.650 2.857 1.00 1.00 N ATOM 1203 CA PHE A 81 -15.683 5.936 1.802 1.00 1.00 C ATOM 1204 C PHE A 81 -15.880 7.458 1.527 1.00 1.00 C ATOM 1205 O PHE A 81 -16.321 7.831 0.424 1.00 1.00 O ATOM 1206 CB PHE A 81 -17.035 5.293 2.175 1.00 1.00 C ATOM 1207 CG PHE A 81 -17.398 4.058 1.368 1.00 1.00 C ATOM 1208 CD1 PHE A 81 -18.058 4.167 0.143 1.00 1.00 C ATOM 1209 CD2 PHE A 81 -17.090 2.787 1.840 1.00 1.00 C ATOM 1210 CE1 PHE A 81 -18.392 3.041 -0.584 1.00 1.00 C ATOM 1211 CE2 PHE A 81 -17.424 1.661 1.112 1.00 1.00 C ATOM 1212 CZ PHE A 81 -18.076 1.788 -0.100 1.00 1.00 C ATOM 0 H PHE A 81 -15.053 5.315 3.730 1.00 1.00 H new ATOM 0 HA PHE A 81 -15.305 5.492 0.881 1.00 1.00 H new ATOM 0 HB2 PHE A 81 -17.015 5.026 3.232 1.00 1.00 H new ATOM 0 HB3 PHE A 81 -17.822 6.036 2.049 1.00 1.00 H new ATOM 0 HD1 PHE A 81 -18.311 5.144 -0.241 1.00 1.00 H new ATOM 0 HD2 PHE A 81 -16.583 2.678 2.788 1.00 1.00 H new ATOM 0 HE1 PHE A 81 -18.901 3.141 -1.531 1.00 1.00 H new ATOM 0 HE2 PHE A 81 -17.175 0.681 1.491 1.00 1.00 H new ATOM 0 HZ PHE A 81 -18.338 0.907 -0.668 1.00 1.00 H new ATOM 1222 N LYS A 82 -15.548 8.286 2.559 1.00 1.00 N ATOM 1223 CA LYS A 82 -15.607 9.755 2.509 1.00 1.00 C ATOM 1224 C LYS A 82 -14.182 10.316 2.434 1.00 1.00 C ATOM 1225 O LYS A 82 -13.292 9.863 3.192 1.00 1.00 O ATOM 1226 CB LYS A 82 -16.332 10.315 3.744 1.00 1.00 C ATOM 1227 CG LYS A 82 -17.851 10.333 3.625 1.00 1.00 C ATOM 1228 CD LYS A 82 -18.504 10.816 4.910 1.00 1.00 C ATOM 1229 CE LYS A 82 -20.018 10.859 4.786 1.00 1.00 C ATOM 1230 NZ LYS A 82 -20.664 11.324 6.045 1.00 1.00 N ATOM 0 H LYS A 82 -15.227 7.932 3.460 1.00 1.00 H new ATOM 0 HA LYS A 82 -16.166 10.057 1.624 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -16.054 9.720 4.614 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -15.982 11.331 3.927 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -18.145 10.982 2.800 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -18.210 9.332 3.387 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -18.224 10.156 5.731 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -18.130 11.810 5.158 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -20.297 11.523 3.968 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -20.390 9.866 4.532 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -21.696 11.340 5.920 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -20.419 10.676 6.821 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -20.329 12.281 6.274 1.00 1.00 H new ATOM 1244 N GLY A 83 -13.994 11.292 1.512 1.00 1.00 N ATOM 1245 CA GLY A 83 -12.699 11.944 1.280 1.00 1.00 C ATOM 1246 C GLY A 83 -12.622 12.586 -0.088 1.00 1.00 C ATOM 1247 O GLY A 83 -13.193 13.676 -0.283 1.00 1.00 O ATOM 0 H GLY A 83 -14.741 11.643 0.913 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -12.533 12.702 2.046 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.900 11.209 1.381 1.00 1.00 H new ATOM 1251 N GLY A 84 -11.911 11.892 -1.015 1.00 1.00 N ATOM 1252 CA GLY A 84 -11.726 12.352 -2.400 1.00 1.00 C ATOM 1253 C GLY A 84 -11.936 11.255 -3.430 1.00 1.00 C ATOM 1254 O GLY A 84 -11.030 11.007 -4.245 1.00 1.00 O ATOM 0 H GLY A 84 -11.455 11.002 -0.815 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -12.421 13.167 -2.601 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -10.720 12.756 -2.510 1.00 1.00 H new ATOM 1258 N ILE A 85 -13.131 10.612 -3.378 1.00 1.00 N ATOM 1259 CA ILE A 85 -13.526 9.513 -4.309 1.00 1.00 C ATOM 1260 C ILE A 85 -14.777 9.983 -5.085 1.00 1.00 C ATOM 1261 O ILE A 85 -15.809 10.296 -4.463 1.00 1.00 O ATOM 1262 CB ILE A 85 -13.801 8.087 -3.598 1.00 1.00 C ATOM 1263 CG1 ILE A 85 -12.820 7.766 -2.441 1.00 1.00 C ATOM 1264 CG2 ILE A 85 -13.716 6.907 -4.597 1.00 1.00 C ATOM 1265 CD1 ILE A 85 -13.494 7.636 -1.092 1.00 1.00 C ATOM 0 H ILE A 85 -13.850 10.838 -2.691 1.00 1.00 H new ATOM 0 HA ILE A 85 -12.681 9.326 -4.972 1.00 1.00 H new ATOM 0 HB ILE A 85 -14.810 8.190 -3.199 1.00 1.00 H new ATOM 0 HG12 ILE A 85 -12.297 6.837 -2.667 1.00 1.00 H new ATOM 0 HG13 ILE A 85 -12.066 8.551 -2.387 1.00 1.00 H new ATOM 0 HG21 ILE A 85 -13.908 5.971 -4.072 1.00 1.00 H new ATOM 0 HG22 ILE A 85 -14.459 7.041 -5.383 1.00 1.00 H new ATOM 0 HG23 ILE A 85 -12.721 6.877 -5.040 1.00 1.00 H new ATOM 0 HD11 ILE A 85 -12.746 7.411 -0.332 1.00 1.00 H new ATOM 0 HD12 ILE A 85 -13.994 8.572 -0.843 1.00 1.00 H new ATOM 0 HD13 ILE A 85 -14.228 6.831 -1.128 1.00 1.00 H new ATOM 1277 N ASP A 86 -14.634 10.019 -6.435 1.00 1.00 N ATOM 1278 CA ASP A 86 -15.700 10.416 -7.371 1.00 1.00 C ATOM 1279 C ASP A 86 -15.926 9.328 -8.422 1.00 1.00 C ATOM 1280 O ASP A 86 -14.954 8.832 -9.028 1.00 1.00 O ATOM 1281 CB ASP A 86 -15.358 11.752 -8.054 1.00 1.00 C ATOM 1282 CG ASP A 86 -15.738 12.954 -7.212 1.00 1.00 C ATOM 1283 OD1 ASP A 86 -16.949 13.241 -7.092 1.00 1.00 O ATOM 1284 OD2 ASP A 86 -14.823 13.612 -6.673 1.00 1.00 O ATOM 0 H ASP A 86 -13.762 9.769 -6.902 1.00 1.00 H new ATOM 0 HA ASP A 86 -16.619 10.546 -6.800 1.00 1.00 H new ATOM 0 HB2 ASP A 86 -14.289 11.784 -8.265 1.00 1.00 H new ATOM 0 HB3 ASP A 86 -15.874 11.808 -9.013 1.00 1.00 H new ATOM 1289 N TRP A 87 -17.226 8.947 -8.593 1.00 1.00 N ATOM 1290 CA TRP A 87 -17.692 7.916 -9.583 1.00 1.00 C ATOM 1291 C TRP A 87 -17.837 8.466 -11.023 1.00 1.00 C ATOM 1292 O TRP A 87 -17.597 7.723 -11.991 1.00 1.00 O ATOM 1293 CB TRP A 87 -19.011 7.277 -9.128 1.00 1.00 C ATOM 1294 CG TRP A 87 -18.824 6.261 -8.021 1.00 1.00 C ATOM 1295 CD1 TRP A 87 -18.994 6.498 -6.689 1.00 1.00 C ATOM 1296 CD2 TRP A 87 -18.424 4.866 -8.130 1.00 1.00 C ATOM 1297 NE1 TRP A 87 -18.725 5.368 -5.965 1.00 1.00 N ATOM 1298 CE2 TRP A 87 -18.377 4.361 -6.819 1.00 1.00 C ATOM 1299 CE3 TRP A 87 -18.102 3.989 -9.193 1.00 1.00 C ATOM 1300 CZ2 TRP A 87 -18.028 3.053 -6.537 1.00 1.00 C ATOM 1301 CZ3 TRP A 87 -17.755 2.683 -8.901 1.00 1.00 C ATOM 1302 CH2 TRP A 87 -17.719 2.227 -7.581 1.00 1.00 C ATOM 0 H TRP A 87 -17.989 9.347 -8.046 1.00 1.00 H new ATOM 0 HA TRP A 87 -16.910 7.157 -9.613 1.00 1.00 H new ATOM 0 HB2 TRP A 87 -19.688 8.059 -8.785 1.00 1.00 H new ATOM 0 HB3 TRP A 87 -19.488 6.794 -9.981 1.00 1.00 H new ATOM 0 HD1 TRP A 87 -19.298 7.444 -6.265 1.00 1.00 H new ATOM 0 HE1 TRP A 87 -18.776 5.290 -4.949 1.00 1.00 H new ATOM 0 HE3 TRP A 87 -18.127 4.334 -10.216 1.00 1.00 H new ATOM 0 HZ2 TRP A 87 -18.000 2.694 -5.519 1.00 1.00 H new ATOM 0 HZ3 TRP A 87 -17.508 2.005 -9.705 1.00 1.00 H new ATOM 0 HH2 TRP A 87 -17.442 1.202 -7.382 1.00 1.00 H new ATOM 1313 N GLU A 88 -18.239 9.772 -11.125 1.00 1.00 N ATOM 1314 CA GLU A 88 -18.417 10.516 -12.404 1.00 1.00 C ATOM 1315 C GLU A 88 -17.081 11.084 -12.967 1.00 1.00 C ATOM 1316 O GLU A 88 -16.905 11.104 -14.196 1.00 1.00 O ATOM 1317 CB GLU A 88 -19.431 11.653 -12.206 1.00 1.00 C ATOM 1318 CG GLU A 88 -20.897 11.229 -12.395 1.00 1.00 C ATOM 1319 CD GLU A 88 -21.395 11.425 -13.823 1.00 1.00 C ATOM 1320 OE1 GLU A 88 -21.692 12.580 -14.197 1.00 1.00 O ATOM 1321 OE2 GLU A 88 -21.490 10.421 -14.561 1.00 1.00 O ATOM 0 H GLU A 88 -18.450 10.341 -10.305 1.00 1.00 H new ATOM 0 HA GLU A 88 -18.790 9.804 -13.140 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -19.309 12.063 -11.203 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -19.203 12.455 -12.908 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -21.004 10.180 -12.120 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -21.526 11.803 -11.715 1.00 1.00 H new ATOM 1328 N ASN A 89 -16.169 11.531 -12.041 1.00 1.00 N ATOM 1329 CA ASN A 89 -14.830 12.088 -12.370 1.00 1.00 C ATOM 1330 C ASN A 89 -13.718 10.998 -12.460 1.00 1.00 C ATOM 1331 O ASN A 89 -12.654 11.257 -13.045 1.00 1.00 O ATOM 1332 CB ASN A 89 -14.446 13.141 -11.318 1.00 1.00 C ATOM 1333 CG ASN A 89 -13.784 14.368 -11.925 1.00 1.00 C ATOM 1334 OD1 ASN A 89 -14.459 15.279 -12.404 1.00 1.00 O ATOM 1335 ND2 ASN A 89 -12.457 14.396 -11.904 1.00 1.00 N ATOM 0 H ASN A 89 -16.355 11.510 -11.038 1.00 1.00 H new ATOM 0 HA ASN A 89 -14.903 12.541 -13.359 1.00 1.00 H new ATOM 0 HB2 ASN A 89 -15.340 13.448 -10.775 1.00 1.00 H new ATOM 0 HB3 ASN A 89 -13.770 12.691 -10.591 1.00 1.00 H new ATOM 0 HD21 ASN A 89 -11.957 15.195 -12.295 1.00 1.00 H new ATOM 0 HD22 ASN A 89 -11.937 13.619 -11.497 1.00 1.00 H new ATOM 1342 N LYS A 90 -13.990 9.746 -11.888 1.00 1.00 N ATOM 1343 CA LYS A 90 -13.064 8.529 -11.835 1.00 1.00 C ATOM 1344 C LYS A 90 -11.709 8.836 -11.085 1.00 1.00 C ATOM 1345 O LYS A 90 -10.585 8.615 -11.604 1.00 1.00 O ATOM 1346 CB LYS A 90 -12.848 7.886 -13.254 1.00 1.00 C ATOM 1347 CG LYS A 90 -13.601 6.587 -13.493 1.00 1.00 C ATOM 1348 CD LYS A 90 -13.435 6.148 -14.941 1.00 1.00 C ATOM 1349 CE LYS A 90 -14.152 4.844 -15.247 1.00 1.00 C ATOM 1350 NZ LYS A 90 -14.001 4.474 -16.682 1.00 1.00 N ATOM 0 H LYS A 90 -14.887 9.557 -11.440 1.00 1.00 H new ATOM 0 HA LYS A 90 -13.571 7.774 -11.235 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -13.150 8.608 -14.013 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -11.783 7.702 -13.394 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -13.227 5.812 -12.824 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -14.658 6.722 -13.264 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -13.816 6.930 -15.599 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -12.374 6.034 -15.162 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -13.751 4.049 -14.619 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -15.210 4.941 -15.002 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -14.500 3.580 -16.864 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -14.405 5.224 -17.278 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -12.992 4.359 -16.907 1.00 1.00 H new ATOM 1364 N ARG A 91 -11.873 9.381 -9.852 1.00 1.00 N ATOM 1365 CA ARG A 91 -10.754 9.757 -8.962 1.00 1.00 C ATOM 1366 C ARG A 91 -10.873 9.025 -7.632 1.00 1.00 C ATOM 1367 O ARG A 91 -11.918 9.095 -6.952 1.00 1.00 O ATOM 1368 CB ARG A 91 -10.675 11.285 -8.757 1.00 1.00 C ATOM 1369 CG ARG A 91 -10.080 12.042 -9.954 1.00 1.00 C ATOM 1370 CD ARG A 91 -10.075 13.561 -9.758 1.00 1.00 C ATOM 1371 NE ARG A 91 -8.968 14.023 -8.872 1.00 1.00 N ATOM 1372 CZ ARG A 91 -8.698 15.308 -8.483 1.00 1.00 C ATOM 1373 NH1 ARG A 91 -9.455 16.368 -8.834 1.00 1.00 N ATOM 1374 NH2 ARG A 91 -7.645 15.524 -7.710 1.00 1.00 N ATOM 0 H ARG A 91 -12.791 9.571 -9.450 1.00 1.00 H new ATOM 0 HA ARG A 91 -9.823 9.454 -9.442 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -11.676 11.668 -8.559 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -10.073 11.493 -7.872 1.00 1.00 H new ATOM 0 HG2 ARG A 91 -9.059 11.699 -10.123 1.00 1.00 H new ATOM 0 HG3 ARG A 91 -10.650 11.799 -10.851 1.00 1.00 H new ATOM 0 HD2 ARG A 91 -9.985 14.048 -10.729 1.00 1.00 H new ATOM 0 HD3 ARG A 91 -11.029 13.872 -9.332 1.00 1.00 H new ATOM 0 HE ARG A 91 -8.342 13.301 -8.516 1.00 1.00 H new ATOM 0 HH11 ARG A 91 -10.279 16.234 -9.420 1.00 1.00 H new ATOM 0 HH12 ARG A 91 -9.203 17.303 -8.513 1.00 1.00 H new ATOM 0 HH21 ARG A 91 -7.057 14.743 -7.419 1.00 1.00 H new ATOM 0 HH22 ARG A 91 -7.421 16.472 -7.406 1.00 1.00 H new ATOM 1388 N VAL A 92 -9.780 8.308 -7.309 1.00 1.00 N ATOM 1389 CA VAL A 92 -9.651 7.485 -6.084 1.00 1.00 C ATOM 1390 C VAL A 92 -8.409 7.984 -5.323 1.00 1.00 C ATOM 1391 O VAL A 92 -7.312 8.031 -5.909 1.00 1.00 O ATOM 1392 CB VAL A 92 -9.546 5.898 -6.368 1.00 1.00 C ATOM 1393 CG1 VAL A 92 -9.991 5.054 -5.153 1.00 1.00 C ATOM 1394 CG2 VAL A 92 -10.361 5.414 -7.598 1.00 1.00 C ATOM 0 H VAL A 92 -8.948 8.282 -7.898 1.00 1.00 H new ATOM 0 HA VAL A 92 -10.560 7.604 -5.495 1.00 1.00 H new ATOM 0 HB VAL A 92 -8.486 5.748 -6.573 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -9.902 3.995 -5.394 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -9.357 5.286 -4.297 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -11.028 5.285 -4.910 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -10.235 4.338 -7.717 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -11.416 5.642 -7.448 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -10.004 5.922 -8.494 1.00 1.00 H new ATOM 1404 N LYS A 93 -8.632 8.367 -4.042 1.00 1.00 N ATOM 1405 CA LYS A 93 -7.575 8.847 -3.130 1.00 1.00 C ATOM 1406 C LYS A 93 -7.563 8.017 -1.847 1.00 1.00 C ATOM 1407 O LYS A 93 -8.640 7.745 -1.272 1.00 1.00 O ATOM 1408 CB LYS A 93 -7.766 10.338 -2.801 1.00 1.00 C ATOM 1409 CG LYS A 93 -7.189 11.287 -3.847 1.00 1.00 C ATOM 1410 CD LYS A 93 -7.488 12.738 -3.504 1.00 1.00 C ATOM 1411 CE LYS A 93 -6.904 13.696 -4.532 1.00 1.00 C ATOM 1412 NZ LYS A 93 -7.220 15.114 -4.204 1.00 1.00 N ATOM 0 H LYS A 93 -9.558 8.350 -3.614 1.00 1.00 H new ATOM 0 HA LYS A 93 -6.615 8.731 -3.633 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -8.831 10.541 -2.691 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -7.300 10.549 -1.839 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -6.111 11.143 -3.916 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -7.606 11.049 -4.826 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -8.567 12.882 -3.445 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -7.081 12.970 -2.520 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -5.823 13.565 -4.579 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -7.297 13.454 -5.520 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -6.806 15.738 -4.926 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -8.252 15.244 -4.184 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -6.823 15.352 -3.273 1.00 1.00 H new ATOM 1426 N LEU A 94 -6.335 7.625 -1.431 1.00 1.00 N ATOM 1427 CA LEU A 94 -6.087 6.825 -0.222 1.00 1.00 C ATOM 1428 C LEU A 94 -5.275 7.639 0.782 1.00 1.00 C ATOM 1429 O LEU A 94 -4.222 8.215 0.426 1.00 1.00 O ATOM 1430 CB LEU A 94 -5.361 5.505 -0.576 1.00 1.00 C ATOM 1431 CG LEU A 94 -6.237 4.370 -1.149 1.00 1.00 C ATOM 1432 CD1 LEU A 94 -6.114 4.287 -2.666 1.00 1.00 C ATOM 1433 CD2 LEU A 94 -5.858 3.035 -0.518 1.00 1.00 C ATOM 0 H LEU A 94 -5.482 7.862 -1.937 1.00 1.00 H new ATOM 0 HA LEU A 94 -7.045 6.567 0.230 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -4.578 5.730 -1.300 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -4.868 5.135 0.323 1.00 1.00 H new ATOM 0 HG LEU A 94 -7.275 4.596 -0.906 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -6.743 3.478 -3.038 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -6.435 5.230 -3.109 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -5.076 4.094 -2.937 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -6.485 2.246 -0.933 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -4.811 2.816 -0.730 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -6.006 3.087 0.561 1.00 1.00 H new ATOM 1445 N LYS A 95 -5.814 7.694 2.018 1.00 1.00 N ATOM 1446 CA LYS A 95 -5.214 8.420 3.157 1.00 1.00 C ATOM 1447 C LYS A 95 -4.831 7.461 4.286 1.00 1.00 C ATOM 1448 O LYS A 95 -3.729 7.630 4.850 1.00 1.00 O ATOM 1449 CB LYS A 95 -6.185 9.489 3.678 1.00 1.00 C ATOM 1450 CG LYS A 95 -5.573 10.881 3.768 1.00 1.00 C ATOM 1451 CD LYS A 95 -6.611 11.925 4.151 1.00 1.00 C ATOM 1452 CE LYS A 95 -5.989 13.308 4.268 1.00 1.00 C ATOM 1453 NZ LYS A 95 -6.993 14.336 4.656 1.00 1.00 N ATOM 1454 OXT LYS A 95 -5.632 6.549 4.600 1.00 1.00 O ATOM 0 H LYS A 95 -6.690 7.229 2.256 1.00 1.00 H new ATOM 0 HA LYS A 95 -4.305 8.906 2.803 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -7.056 9.526 3.023 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -6.541 9.194 4.665 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -4.769 10.879 4.504 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -5.126 11.146 2.809 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -7.404 11.943 3.404 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -7.073 11.650 5.099 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -5.188 13.285 5.007 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -5.536 13.584 3.316 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -6.530 15.265 4.725 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -7.744 14.376 3.938 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -7.408 14.086 5.577 1.00 1.00 H new TER 1468 LYS A 95 HETATM 1469 ZN ZN A 96 7.022 -6.056 -12.692 1.00 1.00 ZN