USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=3 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 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 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= -0.114 K(o=-0.11,f=-1.1) 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 -36:sc= 0.063 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.882 K(o=0.88,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,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 1.924 0.618 -0.311 1.00 1.00 N ATOM 2 CA MET A 8 2.740 0.392 -1.534 1.00 1.00 C ATOM 3 C MET A 8 2.913 -1.102 -1.804 1.00 1.00 C ATOM 4 O MET A 8 3.199 -1.876 -0.868 1.00 1.00 O ATOM 5 CB MET A 8 4.117 1.064 -1.393 1.00 1.00 C ATOM 6 CG MET A 8 4.132 2.543 -1.778 1.00 1.00 C ATOM 7 SD MET A 8 3.934 2.811 -3.552 1.00 1.00 S ATOM 8 CE MET A 8 3.924 4.602 -3.626 1.00 1.00 C ATOM 0 HA MET A 8 2.214 0.838 -2.378 1.00 1.00 H new ATOM 0 HB2 MET A 8 4.454 0.965 -0.361 1.00 1.00 H new ATOM 0 HB3 MET A 8 4.835 0.530 -2.015 1.00 1.00 H new ATOM 0 HG2 MET A 8 3.333 3.059 -1.247 1.00 1.00 H new ATOM 0 HG3 MET A 8 5.072 2.988 -1.451 1.00 1.00 H new ATOM 0 HE1 MET A 8 3.808 4.923 -4.661 1.00 1.00 H new ATOM 0 HE2 MET A 8 3.095 4.986 -3.032 1.00 1.00 H new ATOM 0 HE3 MET A 8 4.863 4.988 -3.229 1.00 1.00 H new ATOM 18 N ALA A 9 2.718 -1.474 -3.094 1.00 1.00 N ATOM 19 CA ALA A 9 2.841 -2.861 -3.582 1.00 1.00 C ATOM 20 C ALA A 9 4.093 -3.025 -4.444 1.00 1.00 C ATOM 21 O ALA A 9 4.403 -2.146 -5.265 1.00 1.00 O ATOM 22 CB ALA A 9 1.595 -3.263 -4.365 1.00 1.00 C ATOM 0 H ALA A 9 2.469 -0.810 -3.827 1.00 1.00 H new ATOM 0 HA ALA A 9 2.935 -3.520 -2.719 1.00 1.00 H new ATOM 0 HB1 ALA A 9 1.702 -4.289 -4.718 1.00 1.00 H new ATOM 0 HB2 ALA A 9 0.720 -3.191 -3.719 1.00 1.00 H new ATOM 0 HB3 ALA A 9 1.471 -2.597 -5.219 1.00 1.00 H new ATOM 28 N LYS A 10 4.786 -4.168 -4.235 1.00 1.00 N ATOM 29 CA LYS A 10 6.027 -4.529 -4.942 1.00 1.00 C ATOM 30 C LYS A 10 5.794 -5.702 -5.884 1.00 1.00 C ATOM 31 O LYS A 10 5.080 -6.662 -5.528 1.00 1.00 O ATOM 32 CB LYS A 10 7.140 -4.891 -3.947 1.00 1.00 C ATOM 33 CG LYS A 10 7.912 -3.696 -3.406 1.00 1.00 C ATOM 34 CD LYS A 10 8.943 -4.129 -2.375 1.00 1.00 C ATOM 35 CE LYS A 10 9.690 -2.941 -1.791 1.00 1.00 C ATOM 36 NZ LYS A 10 10.679 -3.360 -0.760 1.00 1.00 N ATOM 0 H LYS A 10 4.491 -4.873 -3.560 1.00 1.00 H new ATOM 0 HA LYS A 10 6.336 -3.660 -5.523 1.00 1.00 H new ATOM 0 HB2 LYS A 10 6.700 -5.433 -3.110 1.00 1.00 H new ATOM 0 HB3 LYS A 10 7.840 -5.570 -4.434 1.00 1.00 H new ATOM 0 HG2 LYS A 10 8.409 -3.179 -4.227 1.00 1.00 H new ATOM 0 HG3 LYS A 10 7.219 -2.986 -2.955 1.00 1.00 H new ATOM 0 HD2 LYS A 10 8.448 -4.677 -1.573 1.00 1.00 H new ATOM 0 HD3 LYS A 10 9.654 -4.814 -2.837 1.00 1.00 H new ATOM 0 HE2 LYS A 10 10.203 -2.406 -2.590 1.00 1.00 H new ATOM 0 HE3 LYS A 10 8.977 -2.245 -1.349 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 11.167 -2.521 -0.386 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 10.187 -3.848 0.015 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 11.375 -4.004 -1.188 1.00 1.00 H new ATOM 50 N CYS A 11 6.414 -5.604 -7.101 1.00 1.00 N ATOM 51 CA CYS A 11 6.351 -6.646 -8.177 1.00 1.00 C ATOM 52 C CYS A 11 7.189 -7.934 -7.818 1.00 1.00 C ATOM 53 O CYS A 11 8.339 -7.760 -7.365 1.00 1.00 O ATOM 54 CB CYS A 11 6.850 -6.092 -9.535 1.00 1.00 C ATOM 55 SG CYS A 11 6.628 -7.237 -10.959 1.00 1.00 S ATOM 0 H CYS A 11 6.975 -4.794 -7.364 1.00 1.00 H new ATOM 0 HA CYS A 11 5.300 -6.924 -8.258 1.00 1.00 H new ATOM 0 HB2 CYS A 11 6.323 -5.162 -9.748 1.00 1.00 H new ATOM 0 HB3 CYS A 11 7.908 -5.846 -9.445 1.00 1.00 H new ATOM 60 N PRO A 12 6.634 -9.243 -7.973 1.00 1.00 N ATOM 61 CA PRO A 12 7.429 -10.489 -7.691 1.00 1.00 C ATOM 62 C PRO A 12 8.501 -10.849 -8.786 1.00 1.00 C ATOM 63 O PRO A 12 9.325 -11.755 -8.558 1.00 1.00 O ATOM 64 CB PRO A 12 6.345 -11.597 -7.578 1.00 1.00 C ATOM 65 CG PRO A 12 5.181 -11.131 -8.421 1.00 1.00 C ATOM 66 CD PRO A 12 5.206 -9.613 -8.362 1.00 1.00 C ATOM 0 HA PRO A 12 8.033 -10.363 -6.792 1.00 1.00 H new ATOM 0 HB2 PRO A 12 6.727 -12.554 -7.935 1.00 1.00 H new ATOM 0 HB3 PRO A 12 6.042 -11.742 -6.541 1.00 1.00 H new ATOM 0 HG2 PRO A 12 5.277 -11.484 -9.448 1.00 1.00 H new ATOM 0 HG3 PRO A 12 4.239 -11.521 -8.036 1.00 1.00 H new ATOM 0 HD2 PRO A 12 4.937 -9.178 -9.325 1.00 1.00 H new ATOM 0 HD3 PRO A 12 4.490 -9.237 -7.631 1.00 1.00 H new ATOM 74 N ILE A 13 8.467 -10.106 -9.939 1.00 1.00 N ATOM 75 CA ILE A 13 9.350 -10.319 -11.117 1.00 1.00 C ATOM 76 C ILE A 13 10.549 -9.315 -11.074 1.00 1.00 C ATOM 77 O ILE A 13 11.708 -9.773 -11.109 1.00 1.00 O ATOM 78 CB ILE A 13 8.539 -10.207 -12.519 1.00 1.00 C ATOM 79 CG1 ILE A 13 7.172 -10.960 -12.513 1.00 1.00 C ATOM 80 CG2 ILE A 13 9.341 -10.756 -13.729 1.00 1.00 C ATOM 81 CD1 ILE A 13 5.963 -10.075 -12.766 1.00 1.00 C ATOM 0 H ILE A 13 7.813 -9.334 -10.069 1.00 1.00 H new ATOM 0 HA ILE A 13 9.739 -11.336 -11.064 1.00 1.00 H new ATOM 0 HB ILE A 13 8.373 -9.135 -12.623 1.00 1.00 H new ATOM 0 HG12 ILE A 13 7.199 -11.742 -13.272 1.00 1.00 H new ATOM 0 HG13 ILE A 13 7.049 -11.455 -11.550 1.00 1.00 H new ATOM 0 HG21 ILE A 13 8.746 -10.653 -14.637 1.00 1.00 H new ATOM 0 HG22 ILE A 13 10.268 -10.193 -13.837 1.00 1.00 H new ATOM 0 HG23 ILE A 13 9.573 -11.808 -13.564 1.00 1.00 H new ATOM 0 HD11 ILE A 13 5.057 -10.681 -12.744 1.00 1.00 H new ATOM 0 HD12 ILE A 13 5.905 -9.308 -11.993 1.00 1.00 H new ATOM 0 HD13 ILE A 13 6.058 -9.600 -13.742 1.00 1.00 H new ATOM 93 N CYS A 14 10.253 -7.978 -11.001 1.00 1.00 N ATOM 94 CA CYS A 14 11.294 -6.918 -10.991 1.00 1.00 C ATOM 95 C CYS A 14 11.571 -6.360 -9.583 1.00 1.00 C ATOM 96 O CYS A 14 12.747 -6.139 -9.239 1.00 1.00 O ATOM 97 CB CYS A 14 10.920 -5.771 -11.961 1.00 1.00 C ATOM 98 SG CYS A 14 9.338 -4.921 -11.595 1.00 1.00 S ATOM 0 H CYS A 14 9.300 -7.618 -10.949 1.00 1.00 H new ATOM 0 HA CYS A 14 12.216 -7.390 -11.331 1.00 1.00 H new ATOM 0 HB2 CYS A 14 11.721 -5.032 -11.950 1.00 1.00 H new ATOM 0 HB3 CYS A 14 10.871 -6.174 -12.973 1.00 1.00 H new ATOM 103 N GLY A 15 10.474 -6.154 -8.788 1.00 1.00 N ATOM 104 CA GLY A 15 10.538 -5.581 -7.423 1.00 1.00 C ATOM 105 C GLY A 15 10.449 -4.047 -7.408 1.00 1.00 C ATOM 106 O GLY A 15 11.086 -3.408 -6.551 1.00 1.00 O ATOM 0 H GLY A 15 9.526 -6.384 -9.085 1.00 1.00 H new ATOM 0 HA2 GLY A 15 9.725 -5.992 -6.825 1.00 1.00 H new ATOM 0 HA3 GLY A 15 11.470 -5.890 -6.949 1.00 1.00 H new ATOM 110 N SER A 16 9.653 -3.487 -8.370 1.00 1.00 N ATOM 111 CA SER A 16 9.451 -2.031 -8.546 1.00 1.00 C ATOM 112 C SER A 16 8.201 -1.503 -7.779 1.00 1.00 C ATOM 113 O SER A 16 7.218 -2.267 -7.697 1.00 1.00 O ATOM 114 CB SER A 16 9.285 -1.711 -10.025 1.00 1.00 C ATOM 115 OG SER A 16 10.271 -0.796 -10.468 1.00 1.00 O ATOM 0 H SER A 16 9.134 -4.047 -9.046 1.00 1.00 H new ATOM 0 HA SER A 16 10.332 -1.537 -8.136 1.00 1.00 H new ATOM 0 HB2 SER A 16 9.351 -2.630 -10.608 1.00 1.00 H new ATOM 0 HB3 SER A 16 8.294 -1.293 -10.200 1.00 1.00 H new ATOM 0 HG SER A 16 10.140 -0.611 -11.421 1.00 1.00 H new ATOM 121 N PRO A 17 8.176 -0.183 -7.192 1.00 1.00 N ATOM 122 CA PRO A 17 6.967 0.358 -6.468 1.00 1.00 C ATOM 123 C PRO A 17 5.722 0.600 -7.379 1.00 1.00 C ATOM 124 O PRO A 17 5.858 1.159 -8.486 1.00 1.00 O ATOM 125 CB PRO A 17 7.471 1.688 -5.839 1.00 1.00 C ATOM 126 CG PRO A 17 8.655 2.113 -6.668 1.00 1.00 C ATOM 127 CD PRO A 17 9.311 0.826 -7.116 1.00 1.00 C ATOM 0 HA PRO A 17 6.604 -0.365 -5.738 1.00 1.00 H new ATOM 0 HB2 PRO A 17 6.690 2.448 -5.855 1.00 1.00 H new ATOM 0 HB3 PRO A 17 7.755 1.544 -4.797 1.00 1.00 H new ATOM 0 HG2 PRO A 17 8.342 2.713 -7.522 1.00 1.00 H new ATOM 0 HG3 PRO A 17 9.344 2.724 -6.085 1.00 1.00 H new ATOM 0 HD2 PRO A 17 9.798 0.946 -8.083 1.00 1.00 H new ATOM 0 HD3 PRO A 17 10.078 0.506 -6.410 1.00 1.00 H new ATOM 135 N LEU A 18 4.557 0.145 -6.874 1.00 1.00 N ATOM 136 CA LEU A 18 3.254 0.269 -7.552 1.00 1.00 C ATOM 137 C LEU A 18 2.300 1.098 -6.708 1.00 1.00 C ATOM 138 O LEU A 18 2.301 0.982 -5.463 1.00 1.00 O ATOM 139 CB LEU A 18 2.624 -1.110 -7.827 1.00 1.00 C ATOM 140 CG LEU A 18 3.238 -1.910 -8.986 1.00 1.00 C ATOM 141 CD1 LEU A 18 3.433 -3.364 -8.585 1.00 1.00 C ATOM 142 CD2 LEU A 18 2.363 -1.816 -10.235 1.00 1.00 C ATOM 0 H LEU A 18 4.496 -0.325 -5.971 1.00 1.00 H new ATOM 0 HA LEU A 18 3.428 0.764 -8.507 1.00 1.00 H new ATOM 0 HB2 LEU A 18 2.697 -1.709 -6.919 1.00 1.00 H new ATOM 0 HB3 LEU A 18 1.563 -0.969 -8.031 1.00 1.00 H new ATOM 0 HG LEU A 18 4.212 -1.479 -9.217 1.00 1.00 H new ATOM 0 HD11 LEU A 18 3.869 -3.916 -9.418 1.00 1.00 H new ATOM 0 HD12 LEU A 18 4.101 -3.418 -7.725 1.00 1.00 H new ATOM 0 HD13 LEU A 18 2.469 -3.802 -8.324 1.00 1.00 H new ATOM 0 HD21 LEU A 18 2.818 -2.390 -11.042 1.00 1.00 H new ATOM 0 HD22 LEU A 18 1.373 -2.218 -10.017 1.00 1.00 H new ATOM 0 HD23 LEU A 18 2.272 -0.773 -10.538 1.00 1.00 H new ATOM 154 N LYS A 19 1.472 1.916 -7.410 1.00 1.00 N ATOM 155 CA LYS A 19 0.464 2.803 -6.788 1.00 1.00 C ATOM 156 C LYS A 19 -0.891 2.099 -6.661 1.00 1.00 C ATOM 157 O LYS A 19 -1.375 1.483 -7.631 1.00 1.00 O ATOM 158 CB LYS A 19 0.298 4.108 -7.594 1.00 1.00 C ATOM 159 CG LYS A 19 1.386 5.148 -7.349 1.00 1.00 C ATOM 160 CD LYS A 19 1.195 6.370 -8.231 1.00 1.00 C ATOM 161 CE LYS A 19 2.263 7.417 -7.966 1.00 1.00 C ATOM 162 NZ LYS A 19 2.096 8.614 -8.833 1.00 1.00 N ATOM 0 H LYS A 19 1.489 1.976 -8.428 1.00 1.00 H new ATOM 0 HA LYS A 19 0.825 3.050 -5.790 1.00 1.00 H new ATOM 0 HB2 LYS A 19 0.280 3.864 -8.656 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -0.669 4.549 -7.352 1.00 1.00 H new ATOM 0 HG2 LYS A 19 1.375 5.449 -6.301 1.00 1.00 H new ATOM 0 HG3 LYS A 19 2.363 4.707 -7.543 1.00 1.00 H new ATOM 0 HD2 LYS A 19 1.227 6.073 -9.279 1.00 1.00 H new ATOM 0 HD3 LYS A 19 0.210 6.800 -8.051 1.00 1.00 H new ATOM 0 HE2 LYS A 19 2.223 7.719 -6.919 1.00 1.00 H new ATOM 0 HE3 LYS A 19 3.248 6.981 -8.135 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 2.845 9.304 -8.620 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 2.159 8.331 -9.832 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 1.167 9.045 -8.654 1.00 1.00 H new ATOM 176 N TRP A 20 -1.470 2.184 -5.424 1.00 1.00 N ATOM 177 CA TRP A 20 -2.810 1.613 -5.057 1.00 1.00 C ATOM 178 C TRP A 20 -3.993 2.349 -5.743 1.00 1.00 C ATOM 179 O TRP A 20 -5.064 1.756 -5.925 1.00 1.00 O ATOM 180 CB TRP A 20 -2.987 1.600 -3.535 1.00 1.00 C ATOM 181 CG TRP A 20 -2.406 0.359 -2.881 1.00 1.00 C ATOM 182 CD1 TRP A 20 -1.136 0.229 -2.385 1.00 1.00 C ATOM 183 CD2 TRP A 20 -3.054 -0.926 -2.647 1.00 1.00 C ATOM 184 NE1 TRP A 20 -0.946 -1.034 -1.881 1.00 1.00 N ATOM 185 CE2 TRP A 20 -2.099 -1.756 -2.027 1.00 1.00 C ATOM 186 CE3 TRP A 20 -4.338 -1.465 -2.897 1.00 1.00 C ATOM 187 CZ2 TRP A 20 -2.373 -3.068 -1.657 1.00 1.00 C ATOM 188 CZ3 TRP A 20 -4.599 -2.772 -2.527 1.00 1.00 C ATOM 189 CH2 TRP A 20 -3.618 -3.561 -1.913 1.00 1.00 C ATOM 0 H TRP A 20 -1.015 2.656 -4.643 1.00 1.00 H new ATOM 0 HA TRP A 20 -2.828 0.589 -5.429 1.00 1.00 H new ATOM 0 HB2 TRP A 20 -2.510 2.484 -3.112 1.00 1.00 H new ATOM 0 HB3 TRP A 20 -4.049 1.666 -3.298 1.00 1.00 H new ATOM 0 HD1 TRP A 20 -0.390 1.010 -2.390 1.00 1.00 H new ATOM 0 HE1 TRP A 20 -0.082 -1.379 -1.464 1.00 1.00 H new ATOM 0 HE3 TRP A 20 -5.102 -0.865 -3.369 1.00 1.00 H new ATOM 0 HZ2 TRP A 20 -1.621 -3.679 -1.180 1.00 1.00 H new ATOM 0 HZ3 TRP A 20 -5.576 -3.191 -2.715 1.00 1.00 H new ATOM 0 HH2 TRP A 20 -3.852 -4.579 -1.637 1.00 1.00 H new ATOM 200 N GLU A 21 -3.746 3.655 -6.114 1.00 1.00 N ATOM 201 CA GLU A 21 -4.701 4.551 -6.849 1.00 1.00 C ATOM 202 C GLU A 21 -4.903 4.108 -8.326 1.00 1.00 C ATOM 203 O GLU A 21 -6.004 4.272 -8.862 1.00 1.00 O ATOM 204 CB GLU A 21 -4.218 6.014 -6.821 1.00 1.00 C ATOM 205 CG GLU A 21 -4.456 6.739 -5.493 1.00 1.00 C ATOM 206 CD GLU A 21 -4.006 8.193 -5.512 1.00 1.00 C ATOM 207 OE1 GLU A 21 -4.677 9.025 -6.167 1.00 1.00 O ATOM 208 OE2 GLU A 21 -2.994 8.505 -4.851 1.00 1.00 O ATOM 0 H GLU A 21 -2.861 4.116 -5.904 1.00 1.00 H new ATOM 0 HA GLU A 21 -5.658 4.472 -6.333 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -3.152 6.035 -7.045 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -4.722 6.564 -7.616 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -5.518 6.698 -5.250 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -3.926 6.212 -4.699 1.00 1.00 H new ATOM 215 N GLU A 22 -3.799 3.551 -8.953 1.00 1.00 N ATOM 216 CA GLU A 22 -3.779 3.009 -10.352 1.00 1.00 C ATOM 217 C GLU A 22 -4.442 1.613 -10.464 1.00 1.00 C ATOM 218 O GLU A 22 -5.071 1.311 -11.488 1.00 1.00 O ATOM 219 CB GLU A 22 -2.344 2.937 -10.890 1.00 1.00 C ATOM 220 CG GLU A 22 -1.824 4.261 -11.432 1.00 1.00 C ATOM 221 CD GLU A 22 -0.432 4.145 -12.016 1.00 1.00 C ATOM 222 OE1 GLU A 22 0.546 4.278 -11.252 1.00 1.00 O ATOM 223 OE2 GLU A 22 -0.319 3.921 -13.241 1.00 1.00 O ATOM 0 H GLU A 22 -2.895 3.470 -8.487 1.00 1.00 H new ATOM 0 HA GLU A 22 -4.364 3.703 -10.955 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -1.683 2.597 -10.092 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -2.300 2.189 -11.681 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -2.506 4.628 -12.199 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -1.817 5.000 -10.631 1.00 1.00 H new ATOM 230 N LEU A 23 -4.275 0.775 -9.378 1.00 1.00 N ATOM 231 CA LEU A 23 -4.837 -0.605 -9.236 1.00 1.00 C ATOM 232 C LEU A 23 -6.405 -0.621 -9.177 1.00 1.00 C ATOM 233 O LEU A 23 -7.033 -1.497 -9.794 1.00 1.00 O ATOM 234 CB LEU A 23 -4.235 -1.253 -7.965 1.00 1.00 C ATOM 235 CG LEU A 23 -4.041 -2.775 -7.995 1.00 1.00 C ATOM 236 CD1 LEU A 23 -2.563 -3.130 -8.070 1.00 1.00 C ATOM 237 CD2 LEU A 23 -4.694 -3.411 -6.777 1.00 1.00 C ATOM 0 H LEU A 23 -3.731 1.057 -8.563 1.00 1.00 H new ATOM 0 HA LEU A 23 -4.564 -1.178 -10.122 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -3.267 -0.790 -7.773 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -4.879 -1.008 -7.120 1.00 1.00 H new ATOM 0 HG LEU A 23 -4.523 -3.170 -8.889 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -2.450 -4.214 -8.090 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -2.132 -2.703 -8.976 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -2.047 -2.728 -7.198 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -4.550 -4.491 -6.809 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -4.240 -3.011 -5.870 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -5.761 -3.187 -6.778 1.00 1.00 H new ATOM 249 N ILE A 24 -6.990 0.372 -8.421 1.00 1.00 N ATOM 250 CA ILE A 24 -8.474 0.570 -8.242 1.00 1.00 C ATOM 251 C ILE A 24 -9.086 1.310 -9.491 1.00 1.00 C ATOM 252 O ILE A 24 -10.212 0.978 -9.898 1.00 1.00 O ATOM 253 CB ILE A 24 -8.845 1.326 -6.849 1.00 1.00 C ATOM 254 CG1 ILE A 24 -8.038 0.836 -5.543 1.00 1.00 C ATOM 255 CG2 ILE A 24 -10.380 1.328 -6.534 1.00 1.00 C ATOM 256 CD1 ILE A 24 -7.922 -0.682 -5.210 1.00 1.00 C ATOM 0 H ILE A 24 -6.437 1.064 -7.914 1.00 1.00 H new ATOM 0 HA ILE A 24 -8.927 -0.419 -8.173 1.00 1.00 H new ATOM 0 HB ILE A 24 -8.512 2.343 -7.055 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -7.024 1.226 -5.626 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -8.496 1.321 -4.681 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -10.558 1.848 -5.592 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -10.915 1.837 -7.336 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -10.736 0.301 -6.455 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -7.343 -0.811 -4.295 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -8.919 -1.101 -5.071 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -7.423 -1.197 -6.031 1.00 1.00 H new ATOM 268 N GLU A 25 -8.321 2.308 -10.066 1.00 1.00 N ATOM 269 CA GLU A 25 -8.718 3.116 -11.269 1.00 1.00 C ATOM 270 C GLU A 25 -8.804 2.276 -12.581 1.00 1.00 C ATOM 271 O GLU A 25 -9.676 2.542 -13.424 1.00 1.00 O ATOM 272 CB GLU A 25 -7.739 4.277 -11.450 1.00 1.00 C ATOM 273 CG GLU A 25 -8.421 5.623 -11.641 1.00 1.00 C ATOM 274 CD GLU A 25 -7.435 6.756 -11.850 1.00 1.00 C ATOM 275 OE1 GLU A 25 -6.847 7.228 -10.852 1.00 1.00 O ATOM 276 OE2 GLU A 25 -7.254 7.174 -13.012 1.00 1.00 O ATOM 0 H GLU A 25 -7.406 2.570 -9.699 1.00 1.00 H new ATOM 0 HA GLU A 25 -9.724 3.492 -11.081 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -7.086 4.330 -10.579 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -7.104 4.075 -12.313 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -9.091 5.567 -12.499 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -9.038 5.840 -10.769 1.00 1.00 H new ATOM 283 N GLU A 26 -7.882 1.264 -12.704 1.00 1.00 N ATOM 284 CA GLU A 26 -7.802 0.295 -13.832 1.00 1.00 C ATOM 285 C GLU A 26 -8.830 -0.861 -13.698 1.00 1.00 C ATOM 286 O GLU A 26 -9.212 -1.469 -14.717 1.00 1.00 O ATOM 287 CB GLU A 26 -6.404 -0.321 -13.882 1.00 1.00 C ATOM 288 CG GLU A 26 -5.332 0.559 -14.529 1.00 1.00 C ATOM 289 CD GLU A 26 -3.973 -0.111 -14.573 1.00 1.00 C ATOM 290 OE1 GLU A 26 -3.222 0.003 -13.582 1.00 1.00 O ATOM 291 OE2 GLU A 26 -3.659 -0.748 -15.601 1.00 1.00 O ATOM 0 H GLU A 26 -7.161 1.104 -12.000 1.00 1.00 H new ATOM 0 HA GLU A 26 -8.025 0.852 -14.742 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.092 -0.559 -12.865 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -6.458 -1.263 -14.428 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -5.640 0.813 -15.543 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -5.253 1.495 -13.976 1.00 1.00 H new ATOM 298 N MET A 27 -9.262 -1.122 -12.425 1.00 1.00 N ATOM 299 CA MET A 27 -10.214 -2.181 -12.073 1.00 1.00 C ATOM 300 C MET A 27 -11.657 -1.620 -11.776 1.00 1.00 C ATOM 301 O MET A 27 -12.526 -2.350 -11.245 1.00 1.00 O ATOM 302 CB MET A 27 -9.634 -2.981 -10.881 1.00 1.00 C ATOM 303 CG MET A 27 -9.000 -4.313 -11.275 1.00 1.00 C ATOM 304 SD MET A 27 -7.449 -4.104 -12.172 1.00 1.00 S ATOM 305 CE MET A 27 -7.450 -5.578 -13.186 1.00 1.00 C ATOM 0 H MET A 27 -8.944 -0.586 -11.618 1.00 1.00 H new ATOM 0 HA MET A 27 -10.343 -2.847 -12.926 1.00 1.00 H new ATOM 0 HB2 MET A 27 -8.886 -2.370 -10.376 1.00 1.00 H new ATOM 0 HB3 MET A 27 -10.431 -3.169 -10.161 1.00 1.00 H new ATOM 0 HG2 MET A 27 -8.820 -4.905 -10.378 1.00 1.00 H new ATOM 0 HG3 MET A 27 -9.700 -4.876 -11.893 1.00 1.00 H new ATOM 0 HE1 MET A 27 -6.551 -5.596 -13.802 1.00 1.00 H new ATOM 0 HE2 MET A 27 -7.469 -6.460 -12.546 1.00 1.00 H new ATOM 0 HE3 MET A 27 -8.330 -5.577 -13.829 1.00 1.00 H new ATOM 315 N LEU A 28 -11.905 -0.326 -12.158 1.00 1.00 N ATOM 316 CA LEU A 28 -13.213 0.359 -11.972 1.00 1.00 C ATOM 317 C LEU A 28 -14.153 0.239 -13.233 1.00 1.00 C ATOM 318 O LEU A 28 -15.179 0.955 -13.350 1.00 1.00 O ATOM 319 CB LEU A 28 -12.949 1.828 -11.563 1.00 1.00 C ATOM 320 CG LEU A 28 -13.886 2.394 -10.486 1.00 1.00 C ATOM 321 CD1 LEU A 28 -13.176 2.458 -9.139 1.00 1.00 C ATOM 322 CD2 LEU A 28 -14.397 3.766 -10.899 1.00 1.00 C ATOM 0 H LEU A 28 -11.200 0.263 -12.602 1.00 1.00 H new ATOM 0 HA LEU A 28 -13.762 -0.140 -11.173 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -11.923 1.908 -11.205 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -13.026 2.454 -12.452 1.00 1.00 H new ATOM 0 HG LEU A 28 -14.743 1.728 -10.383 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -13.856 2.862 -8.388 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -12.864 1.456 -8.844 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -12.300 3.102 -9.219 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -15.060 4.155 -10.126 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -13.554 4.444 -11.029 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -14.944 3.683 -11.838 1.00 1.00 H new ATOM 334 N ILE A 29 -13.810 -0.735 -14.128 1.00 1.00 N ATOM 335 CA ILE A 29 -14.547 -1.050 -15.397 1.00 1.00 C ATOM 336 C ILE A 29 -15.695 -2.105 -15.207 1.00 1.00 C ATOM 337 O ILE A 29 -16.461 -2.372 -16.157 1.00 1.00 O ATOM 338 CB ILE A 29 -13.582 -1.501 -16.582 1.00 1.00 C ATOM 339 CG1 ILE A 29 -12.453 -2.525 -16.200 1.00 1.00 C ATOM 340 CG2 ILE A 29 -12.962 -0.270 -17.229 1.00 1.00 C ATOM 341 CD1 ILE A 29 -12.526 -3.825 -16.977 1.00 1.00 C ATOM 0 H ILE A 29 -12.998 -1.336 -13.987 1.00 1.00 H new ATOM 0 HA ILE A 29 -15.011 -0.105 -15.680 1.00 1.00 H new ATOM 0 HB ILE A 29 -14.224 -2.044 -17.276 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -11.481 -2.063 -16.372 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -12.518 -2.744 -15.134 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -12.302 -0.579 -18.040 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -13.751 0.368 -17.627 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -12.389 0.283 -16.485 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -11.717 -4.483 -16.662 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -13.483 -4.310 -16.786 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -12.430 -3.618 -18.043 1.00 1.00 H new ATOM 353 N ILE A 30 -15.803 -2.641 -13.962 1.00 1.00 N ATOM 354 CA ILE A 30 -16.795 -3.681 -13.554 1.00 1.00 C ATOM 355 C ILE A 30 -17.980 -2.994 -12.819 1.00 1.00 C ATOM 356 O ILE A 30 -17.772 -2.051 -12.033 1.00 1.00 O ATOM 357 CB ILE A 30 -16.175 -4.851 -12.625 1.00 1.00 C ATOM 358 CG1 ILE A 30 -14.719 -5.260 -13.012 1.00 1.00 C ATOM 359 CG2 ILE A 30 -17.031 -6.149 -12.668 1.00 1.00 C ATOM 360 CD1 ILE A 30 -13.709 -5.147 -11.879 1.00 1.00 C ATOM 0 H ILE A 30 -15.192 -2.359 -13.196 1.00 1.00 H new ATOM 0 HA ILE A 30 -17.131 -4.171 -14.468 1.00 1.00 H new ATOM 0 HB ILE A 30 -16.174 -4.413 -11.627 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -14.728 -6.289 -13.373 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -14.388 -4.634 -13.841 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -16.576 -6.906 -12.029 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -18.038 -5.932 -12.313 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -17.079 -6.519 -13.692 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -12.725 -5.451 -12.237 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -13.666 -4.115 -11.531 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -14.011 -5.795 -11.056 1.00 1.00 H new ATOM 372 N GLU A 31 -19.212 -3.512 -13.111 1.00 1.00 N ATOM 373 CA GLU A 31 -20.500 -3.042 -12.502 1.00 1.00 C ATOM 374 C GLU A 31 -20.783 -3.678 -11.107 1.00 1.00 C ATOM 375 O GLU A 31 -21.602 -3.136 -10.338 1.00 1.00 O ATOM 376 CB GLU A 31 -21.682 -3.308 -13.452 1.00 1.00 C ATOM 377 CG GLU A 31 -21.833 -2.284 -14.573 1.00 1.00 C ATOM 378 CD GLU A 31 -23.020 -2.574 -15.470 1.00 1.00 C ATOM 379 OE1 GLU A 31 -22.864 -3.359 -16.429 1.00 1.00 O ATOM 380 OE2 GLU A 31 -24.109 -2.016 -15.214 1.00 1.00 O ATOM 0 H GLU A 31 -19.341 -4.272 -13.779 1.00 1.00 H new ATOM 0 HA GLU A 31 -20.391 -1.968 -12.348 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -21.562 -4.297 -13.894 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -22.603 -3.329 -12.869 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -21.944 -1.290 -14.140 1.00 1.00 H new ATOM 0 HG3 GLU A 31 -20.923 -2.271 -15.173 1.00 1.00 H new ATOM 387 N ASN A 32 -20.076 -4.819 -10.799 1.00 1.00 N ATOM 388 CA ASN A 32 -20.157 -5.552 -9.500 1.00 1.00 C ATOM 389 C ASN A 32 -19.284 -4.892 -8.387 1.00 1.00 C ATOM 390 O ASN A 32 -19.483 -5.171 -7.191 1.00 1.00 O ATOM 391 CB ASN A 32 -19.744 -7.018 -9.697 1.00 1.00 C ATOM 392 CG ASN A 32 -20.892 -7.876 -10.192 1.00 1.00 C ATOM 393 OD1 ASN A 32 -21.065 -8.068 -11.396 1.00 1.00 O ATOM 394 ND2 ASN A 32 -21.690 -8.391 -9.263 1.00 1.00 N ATOM 0 H ASN A 32 -19.430 -5.253 -11.458 1.00 1.00 H new ATOM 0 HA ASN A 32 -21.193 -5.504 -9.165 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -18.921 -7.069 -10.410 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -19.374 -7.419 -8.754 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -22.483 -8.971 -9.537 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -21.510 -8.206 -8.276 1.00 1.00 H new ATOM 401 N PHE A 33 -18.323 -3.987 -8.823 1.00 1.00 N ATOM 402 CA PHE A 33 -17.380 -3.198 -7.950 1.00 1.00 C ATOM 403 C PHE A 33 -18.115 -2.344 -6.878 1.00 1.00 C ATOM 404 O PHE A 33 -17.590 -2.160 -5.772 1.00 1.00 O ATOM 405 CB PHE A 33 -16.447 -2.310 -8.810 1.00 1.00 C ATOM 406 CG PHE A 33 -15.023 -2.186 -8.264 1.00 1.00 C ATOM 407 CD1 PHE A 33 -14.691 -1.187 -7.347 1.00 1.00 C ATOM 408 CD2 PHE A 33 -14.029 -3.086 -8.645 1.00 1.00 C ATOM 409 CE1 PHE A 33 -13.412 -1.095 -6.830 1.00 1.00 C ATOM 410 CE2 PHE A 33 -12.749 -2.989 -8.131 1.00 1.00 C ATOM 411 CZ PHE A 33 -12.442 -1.997 -7.223 1.00 1.00 C ATOM 0 H PHE A 33 -18.188 -3.789 -9.814 1.00 1.00 H new ATOM 0 HA PHE A 33 -16.777 -3.927 -7.409 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -16.403 -2.719 -9.819 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -16.882 -1.314 -8.888 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -15.443 -0.477 -7.037 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -14.262 -3.869 -9.351 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -13.171 -0.318 -6.119 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -11.989 -3.691 -8.441 1.00 1.00 H new ATOM 0 HZ PHE A 33 -11.443 -1.925 -6.819 1.00 1.00 H new ATOM 421 N GLU A 34 -19.328 -1.818 -7.267 1.00 1.00 N ATOM 422 CA GLU A 34 -20.273 -1.048 -6.374 1.00 1.00 C ATOM 423 C GLU A 34 -20.811 -1.917 -5.191 1.00 1.00 C ATOM 424 O GLU A 34 -21.112 -1.383 -4.110 1.00 1.00 O ATOM 425 CB GLU A 34 -21.460 -0.500 -7.177 1.00 1.00 C ATOM 426 CG GLU A 34 -21.159 0.797 -7.917 1.00 1.00 C ATOM 427 CD GLU A 34 -22.371 1.350 -8.643 1.00 1.00 C ATOM 428 OE1 GLU A 34 -22.601 0.951 -9.804 1.00 1.00 O ATOM 429 OE2 GLU A 34 -23.085 2.188 -8.053 1.00 1.00 O ATOM 0 H GLU A 34 -19.681 -1.918 -8.219 1.00 1.00 H new ATOM 0 HA GLU A 34 -19.698 -0.221 -5.957 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -21.777 -1.253 -7.898 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -22.298 -0.335 -6.500 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -20.795 1.540 -7.207 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -20.358 0.623 -8.635 1.00 1.00 H new ATOM 436 N GLU A 35 -20.922 -3.263 -5.460 1.00 1.00 N ATOM 437 CA GLU A 35 -21.342 -4.309 -4.483 1.00 1.00 C ATOM 438 C GLU A 35 -20.148 -4.837 -3.635 1.00 1.00 C ATOM 439 O GLU A 35 -20.326 -5.144 -2.446 1.00 1.00 O ATOM 440 CB GLU A 35 -22.009 -5.484 -5.223 1.00 1.00 C ATOM 441 CG GLU A 35 -23.518 -5.312 -5.454 1.00 1.00 C ATOM 442 CD GLU A 35 -24.359 -5.918 -4.336 1.00 1.00 C ATOM 443 OE1 GLU A 35 -24.505 -7.160 -4.305 1.00 1.00 O ATOM 444 OE2 GLU A 35 -24.862 -5.150 -3.491 1.00 1.00 O ATOM 0 H GLU A 35 -20.716 -3.648 -6.382 1.00 1.00 H new ATOM 0 HA GLU A 35 -22.054 -3.846 -3.800 1.00 1.00 H new ATOM 0 HB2 GLU A 35 -21.519 -5.616 -6.187 1.00 1.00 H new ATOM 0 HB3 GLU A 35 -21.843 -6.398 -4.653 1.00 1.00 H new ATOM 0 HG2 GLU A 35 -23.749 -4.250 -5.542 1.00 1.00 H new ATOM 0 HG3 GLU A 35 -23.791 -5.777 -6.401 1.00 1.00 H new ATOM 451 N ILE A 36 -18.931 -4.934 -4.288 1.00 1.00 N ATOM 452 CA ILE A 36 -17.623 -5.395 -3.673 1.00 1.00 C ATOM 453 C ILE A 36 -17.052 -4.292 -2.688 1.00 1.00 C ATOM 454 O ILE A 36 -16.520 -4.645 -1.625 1.00 1.00 O ATOM 455 CB ILE A 36 -16.533 -5.864 -4.787 1.00 1.00 C ATOM 456 CG1 ILE A 36 -17.123 -6.955 -5.748 1.00 1.00 C ATOM 457 CG2 ILE A 36 -15.231 -6.443 -4.145 1.00 1.00 C ATOM 458 CD1 ILE A 36 -16.671 -6.886 -7.217 1.00 1.00 C ATOM 0 H ILE A 36 -18.831 -4.690 -5.273 1.00 1.00 H new ATOM 0 HA ILE A 36 -17.834 -6.288 -3.085 1.00 1.00 H new ATOM 0 HB ILE A 36 -16.286 -4.962 -5.347 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -16.859 -7.937 -5.355 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -18.210 -6.883 -5.721 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -14.538 -6.740 -4.932 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -14.764 -5.682 -3.519 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -15.481 -7.311 -3.535 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -17.144 -7.689 -7.781 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -16.960 -5.925 -7.642 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -15.588 -6.995 -7.270 1.00 1.00 H new ATOM 470 N VAL A 37 -17.183 -2.983 -3.087 1.00 1.00 N ATOM 471 CA VAL A 37 -16.713 -1.782 -2.314 1.00 1.00 C ATOM 472 C VAL A 37 -17.439 -1.585 -0.899 1.00 1.00 C ATOM 473 O VAL A 37 -16.947 -0.814 -0.057 1.00 1.00 O ATOM 474 CB VAL A 37 -16.746 -0.509 -3.283 1.00 1.00 C ATOM 475 CG1 VAL A 37 -18.133 0.172 -3.457 1.00 1.00 C ATOM 476 CG2 VAL A 37 -15.672 0.525 -2.912 1.00 1.00 C ATOM 0 H VAL A 37 -17.626 -2.730 -3.970 1.00 1.00 H new ATOM 0 HA VAL A 37 -15.680 -1.939 -2.003 1.00 1.00 H new ATOM 0 HB VAL A 37 -16.516 -0.929 -4.262 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -18.039 1.022 -4.133 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -18.841 -0.545 -3.872 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -18.493 0.518 -2.488 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -15.731 1.372 -3.596 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -15.837 0.870 -1.891 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -14.685 0.067 -2.986 1.00 1.00 H new ATOM 486 N LYS A 38 -18.621 -2.244 -0.744 1.00 1.00 N ATOM 487 CA LYS A 38 -19.438 -2.244 0.506 1.00 1.00 C ATOM 488 C LYS A 38 -19.053 -3.385 1.494 1.00 1.00 C ATOM 489 O LYS A 38 -19.361 -3.275 2.698 1.00 1.00 O ATOM 490 CB LYS A 38 -20.932 -2.351 0.152 1.00 1.00 C ATOM 491 CG LYS A 38 -21.572 -1.034 -0.276 1.00 1.00 C ATOM 492 CD LYS A 38 -23.028 -1.221 -0.668 1.00 1.00 C ATOM 493 CE LYS A 38 -23.669 0.097 -1.070 1.00 1.00 C ATOM 494 NZ LYS A 38 -25.094 -0.076 -1.467 1.00 1.00 N ATOM 0 H LYS A 38 -19.039 -2.797 -1.492 1.00 1.00 H new ATOM 0 HA LYS A 38 -19.231 -1.302 1.014 1.00 1.00 H new ATOM 0 HB2 LYS A 38 -21.052 -3.078 -0.652 1.00 1.00 H new ATOM 0 HB3 LYS A 38 -21.471 -2.740 1.016 1.00 1.00 H new ATOM 0 HG2 LYS A 38 -21.504 -0.314 0.539 1.00 1.00 H new ATOM 0 HG3 LYS A 38 -21.019 -0.616 -1.117 1.00 1.00 H new ATOM 0 HD2 LYS A 38 -23.095 -1.927 -1.496 1.00 1.00 H new ATOM 0 HD3 LYS A 38 -23.578 -1.655 0.167 1.00 1.00 H new ATOM 0 HE2 LYS A 38 -23.607 0.799 -0.239 1.00 1.00 H new ATOM 0 HE3 LYS A 38 -23.112 0.534 -1.899 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 -25.494 0.846 -1.734 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 -25.152 -0.726 -2.277 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 -25.632 -0.469 -0.668 1.00 1.00 H new ATOM 508 N ASP A 39 -18.361 -4.446 0.968 1.00 1.00 N ATOM 509 CA ASP A 39 -17.926 -5.618 1.741 1.00 1.00 C ATOM 510 C ASP A 39 -16.410 -5.860 1.604 1.00 1.00 C ATOM 511 O ASP A 39 -15.894 -6.174 0.508 1.00 1.00 O ATOM 512 CB ASP A 39 -18.727 -6.868 1.313 1.00 1.00 C ATOM 513 CG ASP A 39 -19.993 -7.063 2.124 1.00 1.00 C ATOM 514 OD1 ASP A 39 -19.888 -7.428 3.314 1.00 1.00 O ATOM 515 OD2 ASP A 39 -21.090 -6.854 1.567 1.00 1.00 O ATOM 0 H ASP A 39 -18.096 -4.495 -0.016 1.00 1.00 H new ATOM 0 HA ASP A 39 -18.126 -5.419 2.794 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -18.987 -6.783 0.258 1.00 1.00 H new ATOM 0 HB3 ASP A 39 -18.096 -7.751 1.416 1.00 1.00 H new ATOM 520 N ARG A 40 -15.693 -5.626 2.747 1.00 1.00 N ATOM 521 CA ARG A 40 -14.198 -5.850 2.916 1.00 1.00 C ATOM 522 C ARG A 40 -13.761 -7.320 2.684 1.00 1.00 C ATOM 523 O ARG A 40 -12.665 -7.556 2.156 1.00 1.00 O ATOM 524 CB ARG A 40 -13.727 -5.407 4.322 1.00 1.00 C ATOM 525 CG ARG A 40 -13.766 -3.889 4.574 1.00 1.00 C ATOM 526 CD ARG A 40 -14.955 -3.528 5.453 1.00 1.00 C ATOM 527 NE ARG A 40 -15.211 -2.074 5.488 1.00 1.00 N ATOM 528 CZ ARG A 40 -16.228 -1.436 6.142 1.00 1.00 C ATOM 529 NH1 ARG A 40 -17.160 -2.073 6.882 1.00 1.00 N ATOM 530 NH2 ARG A 40 -16.308 -0.124 6.030 1.00 1.00 N ATOM 0 H ARG A 40 -16.133 -5.271 3.596 1.00 1.00 H new ATOM 0 HA ARG A 40 -13.727 -5.239 2.146 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -14.349 -5.900 5.069 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -12.707 -5.759 4.474 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -12.841 -3.570 5.054 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -13.833 -3.358 3.625 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -15.844 -4.041 5.086 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -14.776 -3.887 6.467 1.00 1.00 H new ATOM 0 HE ARG A 40 -14.561 -1.484 4.970 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -17.129 -3.088 6.977 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -17.895 -1.539 7.346 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -15.624 0.383 5.469 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -17.054 0.384 6.505 1.00 1.00 H new ATOM 544 N GLU A 41 -14.667 -8.284 3.064 1.00 1.00 N ATOM 545 CA GLU A 41 -14.496 -9.759 2.886 1.00 1.00 C ATOM 546 C GLU A 41 -14.560 -10.194 1.391 1.00 1.00 C ATOM 547 O GLU A 41 -13.907 -11.180 1.009 1.00 1.00 O ATOM 548 CB GLU A 41 -15.577 -10.479 3.689 1.00 1.00 C ATOM 549 CG GLU A 41 -15.048 -11.583 4.587 1.00 1.00 C ATOM 550 CD GLU A 41 -16.148 -12.258 5.386 1.00 1.00 C ATOM 551 OE1 GLU A 41 -16.569 -11.692 6.419 1.00 1.00 O ATOM 552 OE2 GLU A 41 -16.586 -13.356 4.983 1.00 1.00 O ATOM 0 H GLU A 41 -15.552 -8.045 3.511 1.00 1.00 H new ATOM 0 HA GLU A 41 -13.504 -10.030 3.247 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -16.107 -9.749 4.301 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -16.305 -10.904 2.998 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -14.536 -12.328 3.978 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -14.309 -11.167 5.272 1.00 1.00 H new ATOM 559 N ARG A 42 -15.369 -9.426 0.581 1.00 1.00 N ATOM 560 CA ARG A 42 -15.533 -9.610 -0.889 1.00 1.00 C ATOM 561 C ARG A 42 -14.388 -8.937 -1.695 1.00 1.00 C ATOM 562 O ARG A 42 -14.008 -9.465 -2.748 1.00 1.00 O ATOM 563 CB ARG A 42 -16.891 -9.069 -1.372 1.00 1.00 C ATOM 564 CG ARG A 42 -18.058 -10.033 -1.177 1.00 1.00 C ATOM 565 CD ARG A 42 -19.350 -9.462 -1.744 1.00 1.00 C ATOM 566 NE ARG A 42 -20.497 -10.396 -1.589 1.00 1.00 N ATOM 567 CZ ARG A 42 -21.705 -10.339 -2.235 1.00 1.00 C ATOM 568 NH1 ARG A 42 -22.027 -9.389 -3.138 1.00 1.00 N ATOM 569 NH2 ARG A 42 -22.609 -11.271 -1.965 1.00 1.00 N ATOM 0 H ARG A 42 -15.928 -8.655 0.947 1.00 1.00 H new ATOM 0 HA ARG A 42 -15.492 -10.684 -1.071 1.00 1.00 H new ATOM 0 HB2 ARG A 42 -17.109 -8.142 -0.842 1.00 1.00 H new ATOM 0 HB3 ARG A 42 -16.814 -8.820 -2.430 1.00 1.00 H new ATOM 0 HG2 ARG A 42 -17.833 -10.982 -1.664 1.00 1.00 H new ATOM 0 HG3 ARG A 42 -18.186 -10.242 -0.115 1.00 1.00 H new ATOM 0 HD2 ARG A 42 -19.580 -8.522 -1.242 1.00 1.00 H new ATOM 0 HD3 ARG A 42 -19.211 -9.234 -2.801 1.00 1.00 H new ATOM 0 HE ARG A 42 -20.371 -11.164 -0.929 1.00 1.00 H new ATOM 0 HH11 ARG A 42 -21.354 -8.660 -3.373 1.00 1.00 H new ATOM 0 HH12 ARG A 42 -22.944 -9.400 -3.585 1.00 1.00 H new ATOM 0 HH21 ARG A 42 -22.397 -12.007 -1.291 1.00 1.00 H new ATOM 0 HH22 ARG A 42 -23.516 -11.252 -2.431 1.00 1.00 H new ATOM 583 N PHE A 43 -13.849 -7.763 -1.172 1.00 1.00 N ATOM 584 CA PHE A 43 -12.721 -6.975 -1.790 1.00 1.00 C ATOM 585 C PHE A 43 -11.350 -7.698 -1.657 1.00 1.00 C ATOM 586 O PHE A 43 -10.604 -7.755 -2.643 1.00 1.00 O ATOM 587 CB PHE A 43 -12.652 -5.537 -1.191 1.00 1.00 C ATOM 588 CG PHE A 43 -12.133 -4.447 -2.137 1.00 1.00 C ATOM 589 CD1 PHE A 43 -10.764 -4.275 -2.363 1.00 1.00 C ATOM 590 CD2 PHE A 43 -13.019 -3.592 -2.788 1.00 1.00 C ATOM 591 CE1 PHE A 43 -10.304 -3.285 -3.211 1.00 1.00 C ATOM 592 CE2 PHE A 43 -12.554 -2.602 -3.638 1.00 1.00 C ATOM 593 CZ PHE A 43 -11.199 -2.450 -3.848 1.00 1.00 C ATOM 0 H PHE A 43 -14.194 -7.346 -0.308 1.00 1.00 H new ATOM 0 HA PHE A 43 -12.936 -6.896 -2.856 1.00 1.00 H new ATOM 0 HB2 PHE A 43 -13.650 -5.255 -0.854 1.00 1.00 H new ATOM 0 HB3 PHE A 43 -12.013 -5.561 -0.309 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -10.057 -4.924 -1.869 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -14.081 -3.702 -2.628 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -9.243 -3.165 -3.375 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -13.254 -1.948 -4.137 1.00 1.00 H new ATOM 0 HZ PHE A 43 -10.839 -1.677 -4.511 1.00 1.00 H new ATOM 603 N LEU A 44 -11.059 -8.266 -0.432 1.00 1.00 N ATOM 604 CA LEU A 44 -9.811 -9.054 -0.120 1.00 1.00 C ATOM 605 C LEU A 44 -9.784 -10.434 -0.842 1.00 1.00 C ATOM 606 O LEU A 44 -8.702 -10.960 -1.131 1.00 1.00 O ATOM 607 CB LEU A 44 -9.664 -9.262 1.396 1.00 1.00 C ATOM 608 CG LEU A 44 -9.046 -8.084 2.167 1.00 1.00 C ATOM 609 CD1 LEU A 44 -9.825 -7.819 3.445 1.00 1.00 C ATOM 610 CD2 LEU A 44 -7.580 -8.353 2.495 1.00 1.00 C ATOM 0 H LEU A 44 -11.688 -8.188 0.367 1.00 1.00 H new ATOM 0 HA LEU A 44 -8.971 -8.467 -0.491 1.00 1.00 H new ATOM 0 HB2 LEU A 44 -10.649 -9.471 1.814 1.00 1.00 H new ATOM 0 HB3 LEU A 44 -9.051 -10.147 1.566 1.00 1.00 H new ATOM 0 HG LEU A 44 -9.099 -7.201 1.530 1.00 1.00 H new ATOM 0 HD11 LEU A 44 -9.374 -6.982 3.979 1.00 1.00 H new ATOM 0 HD12 LEU A 44 -10.859 -7.577 3.198 1.00 1.00 H new ATOM 0 HD13 LEU A 44 -9.801 -8.707 4.076 1.00 1.00 H new ATOM 0 HD21 LEU A 44 -7.167 -7.504 3.040 1.00 1.00 H new ATOM 0 HD22 LEU A 44 -7.503 -9.251 3.109 1.00 1.00 H new ATOM 0 HD23 LEU A 44 -7.021 -8.497 1.571 1.00 1.00 H new ATOM 622 N ALA A 45 -11.016 -10.983 -1.095 1.00 1.00 N ATOM 623 CA ALA A 45 -11.260 -12.254 -1.827 1.00 1.00 C ATOM 624 C ALA A 45 -11.268 -12.068 -3.370 1.00 1.00 C ATOM 625 O ALA A 45 -10.964 -13.028 -4.095 1.00 1.00 O ATOM 626 CB ALA A 45 -12.581 -12.857 -1.388 1.00 1.00 C ATOM 0 H ALA A 45 -11.880 -10.537 -0.785 1.00 1.00 H new ATOM 0 HA ALA A 45 -10.435 -12.923 -1.582 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -12.753 -13.788 -1.928 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -12.551 -13.059 -0.317 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -13.389 -12.158 -1.603 1.00 1.00 H new ATOM 632 N GLN A 46 -11.631 -10.821 -3.844 1.00 1.00 N ATOM 633 CA GLN A 46 -11.666 -10.434 -5.290 1.00 1.00 C ATOM 634 C GLN A 46 -10.264 -10.132 -5.864 1.00 1.00 C ATOM 635 O GLN A 46 -9.986 -10.523 -7.000 1.00 1.00 O ATOM 636 CB GLN A 46 -12.586 -9.214 -5.519 1.00 1.00 C ATOM 637 CG GLN A 46 -14.004 -9.563 -6.003 1.00 1.00 C ATOM 638 CD GLN A 46 -14.109 -9.678 -7.520 1.00 1.00 C ATOM 639 OE1 GLN A 46 -14.078 -8.677 -8.238 1.00 1.00 O ATOM 640 NE2 GLN A 46 -14.221 -10.906 -8.006 1.00 1.00 N ATOM 0 H GLN A 46 -11.907 -10.061 -3.223 1.00 1.00 H new ATOM 0 HA GLN A 46 -12.065 -11.298 -5.821 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -12.662 -8.653 -4.588 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -12.118 -8.555 -6.251 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -14.314 -10.505 -5.551 1.00 1.00 H new ATOM 0 HG3 GLN A 46 -14.699 -8.799 -5.654 1.00 1.00 H new ATOM 0 HE21 GLN A 46 -14.242 -11.705 -7.373 1.00 1.00 H new ATOM 0 HE22 GLN A 46 -14.286 -11.052 -9.013 1.00 1.00 H new ATOM 649 N VAL A 47 -9.386 -9.451 -5.038 1.00 1.00 N ATOM 650 CA VAL A 47 -7.955 -9.083 -5.393 1.00 1.00 C ATOM 651 C VAL A 47 -7.073 -10.395 -5.473 1.00 1.00 C ATOM 652 O VAL A 47 -6.242 -10.514 -6.385 1.00 1.00 O ATOM 653 CB VAL A 47 -7.323 -7.964 -4.404 1.00 1.00 C ATOM 654 CG1 VAL A 47 -5.892 -7.502 -4.790 1.00 1.00 C ATOM 655 CG2 VAL A 47 -8.187 -6.696 -4.322 1.00 1.00 C ATOM 0 H VAL A 47 -9.652 -9.141 -4.103 1.00 1.00 H new ATOM 0 HA VAL A 47 -7.961 -8.611 -6.375 1.00 1.00 H new ATOM 0 HB VAL A 47 -7.287 -8.480 -3.444 1.00 1.00 H new ATOM 0 HG11 VAL A 47 -5.546 -6.754 -4.077 1.00 1.00 H new ATOM 0 HG12 VAL A 47 -5.217 -8.358 -4.774 1.00 1.00 H new ATOM 0 HG13 VAL A 47 -5.907 -7.070 -5.791 1.00 1.00 H new ATOM 0 HG21 VAL A 47 -7.719 -5.980 -3.647 1.00 1.00 H new ATOM 0 HG22 VAL A 47 -8.279 -6.253 -5.314 1.00 1.00 H new ATOM 0 HG23 VAL A 47 -9.177 -6.954 -3.947 1.00 1.00 H new ATOM 665 N GLU A 48 -7.305 -11.350 -4.504 1.00 1.00 N ATOM 666 CA GLU A 48 -6.609 -12.687 -4.406 1.00 1.00 C ATOM 667 C GLU A 48 -7.027 -13.679 -5.541 1.00 1.00 C ATOM 668 O GLU A 48 -6.242 -14.575 -5.890 1.00 1.00 O ATOM 669 CB GLU A 48 -6.880 -13.350 -3.033 1.00 1.00 C ATOM 670 CG GLU A 48 -6.191 -12.679 -1.836 1.00 1.00 C ATOM 671 CD GLU A 48 -6.294 -13.497 -0.562 1.00 1.00 C ATOM 672 OE1 GLU A 48 -7.279 -13.312 0.184 1.00 1.00 O ATOM 673 OE2 GLU A 48 -5.388 -14.319 -0.309 1.00 1.00 O ATOM 0 H GLU A 48 -7.989 -11.210 -3.761 1.00 1.00 H new ATOM 0 HA GLU A 48 -5.545 -12.478 -4.519 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -7.956 -13.356 -2.856 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -6.559 -14.391 -3.080 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -5.140 -12.515 -2.073 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -6.637 -11.698 -1.669 1.00 1.00 H new ATOM 680 N GLU A 49 -8.277 -13.486 -6.075 1.00 1.00 N ATOM 681 CA GLU A 49 -8.869 -14.289 -7.190 1.00 1.00 C ATOM 682 C GLU A 49 -8.588 -13.677 -8.589 1.00 1.00 C ATOM 683 O GLU A 49 -8.576 -14.424 -9.586 1.00 1.00 O ATOM 684 CB GLU A 49 -10.388 -14.446 -7.008 1.00 1.00 C ATOM 685 CG GLU A 49 -10.790 -15.516 -6.001 1.00 1.00 C ATOM 686 CD GLU A 49 -12.291 -15.695 -5.904 1.00 1.00 C ATOM 687 OE1 GLU A 49 -12.924 -14.973 -5.106 1.00 1.00 O ATOM 688 OE2 GLU A 49 -12.834 -16.559 -6.624 1.00 1.00 O ATOM 0 H GLU A 49 -8.906 -12.758 -5.736 1.00 1.00 H new ATOM 0 HA GLU A 49 -8.385 -15.265 -7.146 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -10.805 -13.490 -6.691 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -10.835 -14.685 -7.973 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -10.333 -16.464 -6.283 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -10.396 -15.252 -5.020 1.00 1.00 H new ATOM 695 N PHE A 50 -8.373 -12.322 -8.634 1.00 1.00 N ATOM 696 CA PHE A 50 -8.076 -11.556 -9.869 1.00 1.00 C ATOM 697 C PHE A 50 -6.563 -11.357 -10.041 1.00 1.00 C ATOM 698 O PHE A 50 -5.838 -11.175 -9.040 1.00 1.00 O ATOM 699 CB PHE A 50 -8.782 -10.184 -9.838 1.00 1.00 C ATOM 700 CG PHE A 50 -9.776 -9.940 -10.959 1.00 1.00 C ATOM 701 CD1 PHE A 50 -9.367 -9.383 -12.169 1.00 1.00 C ATOM 702 CD2 PHE A 50 -11.123 -10.250 -10.797 1.00 1.00 C ATOM 703 CE1 PHE A 50 -10.275 -9.151 -13.184 1.00 1.00 C ATOM 704 CE2 PHE A 50 -12.033 -10.015 -11.811 1.00 1.00 C ATOM 705 CZ PHE A 50 -11.608 -9.466 -13.006 1.00 1.00 C ATOM 0 H PHE A 50 -8.404 -11.736 -7.800 1.00 1.00 H new ATOM 0 HA PHE A 50 -8.451 -12.130 -10.716 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -9.302 -10.083 -8.885 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -8.023 -9.402 -9.871 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -8.327 -9.130 -12.315 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -11.462 -10.680 -9.866 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -9.942 -8.723 -14.118 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -13.075 -10.260 -11.669 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.317 -9.284 -13.800 1.00 1.00 H new ATOM 715 N VAL A 51 -6.123 -11.386 -11.325 1.00 1.00 N ATOM 716 CA VAL A 51 -4.712 -11.231 -11.718 1.00 1.00 C ATOM 717 C VAL A 51 -4.422 -9.757 -12.181 1.00 1.00 C ATOM 718 O VAL A 51 -5.326 -9.078 -12.710 1.00 1.00 O ATOM 719 CB VAL A 51 -4.309 -12.399 -12.741 1.00 1.00 C ATOM 720 CG1 VAL A 51 -4.618 -12.163 -14.229 1.00 1.00 C ATOM 721 CG2 VAL A 51 -2.849 -12.807 -12.577 1.00 1.00 C ATOM 0 H VAL A 51 -6.749 -11.519 -12.119 1.00 1.00 H new ATOM 0 HA VAL A 51 -4.044 -11.364 -10.867 1.00 1.00 H new ATOM 0 HB VAL A 51 -4.976 -13.210 -12.448 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -4.296 -13.028 -14.809 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -5.690 -12.018 -14.359 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -4.087 -11.276 -14.575 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -2.611 -13.600 -13.286 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -2.207 -11.947 -12.766 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -2.684 -13.166 -11.561 1.00 1.00 H new ATOM 731 N PHE A 52 -3.156 -9.331 -11.975 1.00 1.00 N ATOM 732 CA PHE A 52 -2.670 -7.968 -12.308 1.00 1.00 C ATOM 733 C PHE A 52 -1.406 -8.044 -13.162 1.00 1.00 C ATOM 734 O PHE A 52 -0.567 -8.938 -12.958 1.00 1.00 O ATOM 735 CB PHE A 52 -2.385 -7.140 -11.025 1.00 1.00 C ATOM 736 CG PHE A 52 -3.592 -6.866 -10.137 1.00 1.00 C ATOM 737 CD1 PHE A 52 -4.413 -5.764 -10.358 1.00 1.00 C ATOM 738 CD2 PHE A 52 -3.900 -7.723 -9.088 1.00 1.00 C ATOM 739 CE1 PHE A 52 -5.511 -5.529 -9.553 1.00 1.00 C ATOM 740 CE2 PHE A 52 -4.996 -7.489 -8.282 1.00 1.00 C ATOM 741 CZ PHE A 52 -5.804 -6.392 -8.515 1.00 1.00 C ATOM 0 H PHE A 52 -2.434 -9.927 -11.569 1.00 1.00 H new ATOM 0 HA PHE A 52 -3.457 -7.468 -12.873 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -1.634 -7.665 -10.435 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -1.949 -6.185 -11.320 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -4.189 -5.085 -11.168 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.274 -8.583 -8.901 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -6.140 -4.670 -9.735 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -5.222 -8.163 -7.469 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.663 -6.210 -7.886 1.00 1.00 H new ATOM 751 N LYS A 53 -1.279 -7.067 -14.088 1.00 1.00 N ATOM 752 CA LYS A 53 -0.142 -6.962 -15.036 1.00 1.00 C ATOM 753 C LYS A 53 0.863 -5.910 -14.581 1.00 1.00 C ATOM 754 O LYS A 53 0.457 -4.853 -14.056 1.00 1.00 O ATOM 755 CB LYS A 53 -0.634 -6.612 -16.453 1.00 1.00 C ATOM 756 CG LYS A 53 -1.217 -7.787 -17.233 1.00 1.00 C ATOM 757 CD LYS A 53 -1.730 -7.348 -18.594 1.00 1.00 C ATOM 758 CE LYS A 53 -2.355 -8.502 -19.362 1.00 1.00 C ATOM 759 NZ LYS A 53 -2.867 -8.062 -20.689 1.00 1.00 N ATOM 0 H LYS A 53 -1.967 -6.323 -14.201 1.00 1.00 H new ATOM 0 HA LYS A 53 0.348 -7.935 -15.056 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -1.391 -5.832 -16.378 1.00 1.00 H new ATOM 0 HB3 LYS A 53 0.199 -6.195 -17.019 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -0.455 -8.555 -17.360 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -2.030 -8.236 -16.663 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -2.467 -6.555 -18.466 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -0.908 -6.928 -19.174 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -1.616 -9.291 -19.500 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -3.172 -8.928 -18.779 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -3.286 -8.874 -21.186 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -3.590 -7.326 -20.556 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -2.083 -7.678 -21.254 1.00 1.00 H new ATOM 773 N CYS A 54 2.179 -6.214 -14.805 1.00 1.00 N ATOM 774 CA CYS A 54 3.295 -5.310 -14.450 1.00 1.00 C ATOM 775 C CYS A 54 3.622 -4.324 -15.638 1.00 1.00 C ATOM 776 O CYS A 54 3.852 -4.829 -16.757 1.00 1.00 O ATOM 777 CB CYS A 54 4.577 -6.094 -14.038 1.00 1.00 C ATOM 778 SG CYS A 54 6.003 -5.021 -13.569 1.00 1.00 S ATOM 0 H CYS A 54 2.483 -7.088 -15.234 1.00 1.00 H new ATOM 0 HA CYS A 54 2.968 -4.730 -13.587 1.00 1.00 H new ATOM 0 HB2 CYS A 54 4.336 -6.746 -13.198 1.00 1.00 H new ATOM 0 HB3 CYS A 54 4.877 -6.737 -14.865 1.00 1.00 H new ATOM 783 N PRO A 55 3.600 -2.897 -15.456 1.00 1.00 N ATOM 784 CA PRO A 55 4.015 -1.923 -16.543 1.00 1.00 C ATOM 785 C PRO A 55 5.557 -1.913 -16.819 1.00 1.00 C ATOM 786 O PRO A 55 6.011 -1.321 -17.815 1.00 1.00 O ATOM 787 CB PRO A 55 3.605 -0.539 -15.981 1.00 1.00 C ATOM 788 CG PRO A 55 2.619 -0.835 -14.904 1.00 1.00 C ATOM 789 CD PRO A 55 3.120 -2.095 -14.266 1.00 1.00 C ATOM 0 HA PRO A 55 3.547 -2.193 -17.490 1.00 1.00 H new ATOM 0 HB2 PRO A 55 4.468 -0.001 -15.589 1.00 1.00 H new ATOM 0 HB3 PRO A 55 3.165 0.087 -16.757 1.00 1.00 H new ATOM 0 HG2 PRO A 55 2.564 -0.020 -14.182 1.00 1.00 H new ATOM 0 HG3 PRO A 55 1.616 -0.968 -15.311 1.00 1.00 H new ATOM 0 HD2 PRO A 55 3.925 -1.899 -13.558 1.00 1.00 H new ATOM 0 HD3 PRO A 55 2.333 -2.613 -13.718 1.00 1.00 H new ATOM 797 N VAL A 56 6.313 -2.609 -15.912 1.00 1.00 N ATOM 798 CA VAL A 56 7.803 -2.715 -15.920 1.00 1.00 C ATOM 799 C VAL A 56 8.247 -4.022 -16.656 1.00 1.00 C ATOM 800 O VAL A 56 9.081 -3.936 -17.578 1.00 1.00 O ATOM 801 CB VAL A 56 8.465 -2.665 -14.446 1.00 1.00 C ATOM 802 CG1 VAL A 56 9.912 -2.134 -14.465 1.00 1.00 C ATOM 803 CG2 VAL A 56 7.680 -1.835 -13.403 1.00 1.00 C ATOM 0 H VAL A 56 5.889 -3.122 -15.139 1.00 1.00 H new ATOM 0 HA VAL A 56 8.167 -1.837 -16.454 1.00 1.00 H new ATOM 0 HB VAL A 56 8.438 -3.710 -14.139 1.00 1.00 H new ATOM 0 HG11 VAL A 56 10.308 -2.121 -13.450 1.00 1.00 H new ATOM 0 HG12 VAL A 56 10.529 -2.782 -15.087 1.00 1.00 H new ATOM 0 HG13 VAL A 56 9.923 -1.123 -14.871 1.00 1.00 H new ATOM 0 HG21 VAL A 56 8.204 -1.862 -12.447 1.00 1.00 H new ATOM 0 HG22 VAL A 56 7.601 -0.803 -13.744 1.00 1.00 H new ATOM 0 HG23 VAL A 56 6.681 -2.254 -13.282 1.00 1.00 H new ATOM 813 N CYS A 57 7.683 -5.206 -16.228 1.00 1.00 N ATOM 814 CA CYS A 57 8.007 -6.537 -16.814 1.00 1.00 C ATOM 815 C CYS A 57 7.073 -6.905 -17.996 1.00 1.00 C ATOM 816 O CYS A 57 7.578 -7.239 -19.086 1.00 1.00 O ATOM 817 CB CYS A 57 7.973 -7.657 -15.735 1.00 1.00 C ATOM 818 SG CYS A 57 8.985 -7.351 -14.256 1.00 1.00 S ATOM 0 H CYS A 57 6.998 -5.252 -15.473 1.00 1.00 H new ATOM 0 HA CYS A 57 9.021 -6.460 -17.205 1.00 1.00 H new ATOM 0 HB2 CYS A 57 6.939 -7.805 -15.422 1.00 1.00 H new ATOM 0 HB3 CYS A 57 8.304 -8.589 -16.193 1.00 1.00 H new ATOM 823 N GLY A 58 5.730 -6.828 -17.749 1.00 1.00 N ATOM 824 CA GLY A 58 4.696 -7.171 -18.748 1.00 1.00 C ATOM 825 C GLY A 58 4.011 -8.525 -18.463 1.00 1.00 C ATOM 826 O GLY A 58 3.044 -8.876 -19.160 1.00 1.00 O ATOM 0 H GLY A 58 5.346 -6.527 -16.853 1.00 1.00 H new ATOM 0 HA2 GLY A 58 3.941 -6.385 -18.767 1.00 1.00 H new ATOM 0 HA3 GLY A 58 5.150 -7.201 -19.738 1.00 1.00 H new ATOM 830 N GLU A 59 4.541 -9.274 -17.433 1.00 1.00 N ATOM 831 CA GLU A 59 4.024 -10.587 -16.956 1.00 1.00 C ATOM 832 C GLU A 59 2.908 -10.401 -15.901 1.00 1.00 C ATOM 833 O GLU A 59 2.898 -9.382 -15.179 1.00 1.00 O ATOM 834 CB GLU A 59 5.172 -11.429 -16.352 1.00 1.00 C ATOM 835 CG GLU A 59 6.003 -12.192 -17.376 1.00 1.00 C ATOM 836 CD GLU A 59 7.043 -13.092 -16.729 1.00 1.00 C ATOM 837 OE1 GLU A 59 8.152 -12.601 -16.432 1.00 1.00 O ATOM 838 OE2 GLU A 59 6.746 -14.288 -16.522 1.00 1.00 O ATOM 0 H GLU A 59 5.358 -8.963 -16.908 1.00 1.00 H new ATOM 0 HA GLU A 59 3.604 -11.109 -17.815 1.00 1.00 H new ATOM 0 HB2 GLU A 59 5.831 -10.769 -15.787 1.00 1.00 H new ATOM 0 HB3 GLU A 59 4.749 -12.141 -15.643 1.00 1.00 H new ATOM 0 HG2 GLU A 59 5.342 -12.795 -17.998 1.00 1.00 H new ATOM 0 HG3 GLU A 59 6.502 -11.482 -18.036 1.00 1.00 H new ATOM 845 N GLU A 60 1.988 -11.411 -15.821 1.00 1.00 N ATOM 846 CA GLU A 60 0.825 -11.419 -14.891 1.00 1.00 C ATOM 847 C GLU A 60 1.187 -12.055 -13.538 1.00 1.00 C ATOM 848 O GLU A 60 1.856 -13.103 -13.495 1.00 1.00 O ATOM 849 CB GLU A 60 -0.369 -12.157 -15.534 1.00 1.00 C ATOM 850 CG GLU A 60 -1.114 -11.344 -16.601 1.00 1.00 C ATOM 851 CD GLU A 60 -2.120 -12.171 -17.382 1.00 1.00 C ATOM 852 OE1 GLU A 60 -1.704 -12.876 -18.323 1.00 1.00 O ATOM 853 OE2 GLU A 60 -3.322 -12.103 -17.065 1.00 1.00 O ATOM 0 H GLU A 60 2.038 -12.245 -16.406 1.00 1.00 H new ATOM 0 HA GLU A 60 0.541 -10.384 -14.702 1.00 1.00 H new ATOM 0 HB2 GLU A 60 -0.009 -13.082 -15.984 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -1.073 -12.437 -14.750 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -1.630 -10.512 -16.121 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -0.390 -10.914 -17.293 1.00 1.00 H new ATOM 860 N PHE A 61 0.711 -11.383 -12.465 1.00 1.00 N ATOM 861 CA PHE A 61 0.925 -11.762 -11.048 1.00 1.00 C ATOM 862 C PHE A 61 -0.430 -11.764 -10.315 1.00 1.00 C ATOM 863 O PHE A 61 -1.277 -10.896 -10.589 1.00 1.00 O ATOM 864 CB PHE A 61 1.983 -10.827 -10.346 1.00 1.00 C ATOM 865 CG PHE A 61 1.704 -9.316 -10.335 1.00 1.00 C ATOM 866 CD1 PHE A 61 2.115 -8.507 -11.383 1.00 1.00 C ATOM 867 CD2 PHE A 61 1.019 -8.738 -9.277 1.00 1.00 C ATOM 868 CE1 PHE A 61 1.848 -7.150 -11.375 1.00 1.00 C ATOM 869 CE2 PHE A 61 0.752 -7.382 -9.262 1.00 1.00 C ATOM 870 CZ PHE A 61 1.167 -6.587 -10.312 1.00 1.00 C ATOM 0 H PHE A 61 0.150 -10.537 -12.563 1.00 1.00 H new ATOM 0 HA PHE A 61 1.344 -12.767 -11.007 1.00 1.00 H new ATOM 0 HB2 PHE A 61 2.088 -11.156 -9.312 1.00 1.00 H new ATOM 0 HB3 PHE A 61 2.946 -10.987 -10.831 1.00 1.00 H new ATOM 0 HD1 PHE A 61 2.650 -8.941 -12.215 1.00 1.00 H new ATOM 0 HD2 PHE A 61 0.690 -9.355 -8.454 1.00 1.00 H new ATOM 0 HE1 PHE A 61 2.171 -6.531 -12.199 1.00 1.00 H new ATOM 0 HE2 PHE A 61 0.220 -6.945 -8.430 1.00 1.00 H new ATOM 0 HZ PHE A 61 0.960 -5.527 -10.303 1.00 1.00 H new ATOM 880 N TYR A 62 -0.595 -12.713 -9.369 1.00 1.00 N ATOM 881 CA TYR A 62 -1.849 -12.896 -8.591 1.00 1.00 C ATOM 882 C TYR A 62 -1.855 -12.112 -7.261 1.00 1.00 C ATOM 883 O TYR A 62 -0.784 -11.806 -6.712 1.00 1.00 O ATOM 884 CB TYR A 62 -2.087 -14.409 -8.345 1.00 1.00 C ATOM 885 CG TYR A 62 -2.502 -15.218 -9.587 1.00 1.00 C ATOM 886 CD1 TYR A 62 -3.820 -15.213 -10.072 1.00 1.00 C ATOM 887 CD2 TYR A 62 -1.569 -15.994 -10.270 1.00 1.00 C ATOM 888 CE1 TYR A 62 -4.177 -15.949 -11.185 1.00 1.00 C ATOM 889 CE2 TYR A 62 -1.926 -16.733 -11.383 1.00 1.00 C ATOM 890 CZ TYR A 62 -3.229 -16.707 -11.834 1.00 1.00 C ATOM 891 OH TYR A 62 -3.582 -17.445 -12.942 1.00 1.00 O ATOM 0 H TYR A 62 0.137 -13.378 -9.119 1.00 1.00 H new ATOM 0 HA TYR A 62 -2.667 -12.485 -9.183 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -1.174 -14.842 -7.937 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -2.860 -14.520 -7.584 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -4.569 -14.622 -9.565 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -0.546 -16.019 -9.924 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -5.195 -15.930 -11.544 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -1.187 -17.329 -11.898 1.00 1.00 H new ATOM 0 HH TYR A 62 -2.796 -17.922 -13.281 1.00 1.00 H new ATOM 901 N GLY A 63 -3.100 -11.771 -6.782 1.00 1.00 N ATOM 902 CA GLY A 63 -3.332 -11.037 -5.503 1.00 1.00 C ATOM 903 C GLY A 63 -3.195 -11.903 -4.221 1.00 1.00 C ATOM 904 O GLY A 63 -3.296 -11.372 -3.102 1.00 1.00 O ATOM 0 H GLY A 63 -3.962 -12.000 -7.276 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -2.626 -10.209 -5.442 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -4.331 -10.602 -5.526 1.00 1.00 H new ATOM 908 N LYS A 64 -2.975 -13.236 -4.441 1.00 1.00 N ATOM 909 CA LYS A 64 -2.754 -14.260 -3.381 1.00 1.00 C ATOM 910 C LYS A 64 -1.249 -14.344 -2.948 1.00 1.00 C ATOM 911 O LYS A 64 -0.949 -14.916 -1.882 1.00 1.00 O ATOM 912 CB LYS A 64 -3.266 -15.634 -3.861 1.00 1.00 C ATOM 913 CG LYS A 64 -4.003 -16.436 -2.786 1.00 1.00 C ATOM 914 CD LYS A 64 -4.617 -17.706 -3.343 1.00 1.00 C ATOM 915 CE LYS A 64 -5.340 -18.481 -2.255 1.00 1.00 C ATOM 916 NZ LYS A 64 -5.939 -19.740 -2.773 1.00 1.00 N ATOM 0 H LYS A 64 -2.947 -13.632 -5.381 1.00 1.00 H new ATOM 0 HA LYS A 64 -3.320 -13.957 -2.500 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -3.934 -15.485 -4.710 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -2.420 -16.220 -4.220 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -3.309 -16.690 -1.985 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -4.786 -15.818 -2.346 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -5.315 -17.457 -4.143 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -3.838 -18.329 -3.782 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -4.642 -18.715 -1.452 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -6.123 -17.857 -1.825 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -6.423 -20.238 -1.999 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -6.625 -19.516 -3.522 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -5.189 -20.347 -3.161 1.00 1.00 H new ATOM 930 N THR A 65 -0.344 -13.745 -3.785 1.00 1.00 N ATOM 931 CA THR A 65 1.127 -13.690 -3.540 1.00 1.00 C ATOM 932 C THR A 65 1.547 -12.344 -2.850 1.00 1.00 C ATOM 933 O THR A 65 2.755 -12.110 -2.608 1.00 1.00 O ATOM 934 CB THR A 65 1.957 -13.896 -4.862 1.00 1.00 C ATOM 935 OG1 THR A 65 1.502 -13.014 -5.891 1.00 1.00 O ATOM 936 CG2 THR A 65 1.890 -15.339 -5.372 1.00 1.00 C ATOM 0 H THR A 65 -0.621 -13.286 -4.652 1.00 1.00 H new ATOM 0 HA THR A 65 1.355 -14.515 -2.865 1.00 1.00 H new ATOM 0 HB THR A 65 2.994 -13.670 -4.614 1.00 1.00 H new ATOM 0 HG1 THR A 65 0.530 -12.911 -5.827 1.00 1.00 H new ATOM 0 HG21 THR A 65 2.478 -15.430 -6.285 1.00 1.00 H new ATOM 0 HG22 THR A 65 2.291 -16.012 -4.614 1.00 1.00 H new ATOM 0 HG23 THR A 65 0.853 -15.604 -5.580 1.00 1.00 H new ATOM 944 N LEU A 66 0.517 -11.495 -2.472 1.00 1.00 N ATOM 945 CA LEU A 66 0.697 -10.169 -1.801 1.00 1.00 C ATOM 946 C LEU A 66 1.098 -10.311 -0.284 1.00 1.00 C ATOM 947 O LEU A 66 0.677 -11.319 0.317 1.00 1.00 O ATOM 948 CB LEU A 66 -0.612 -9.336 -1.852 1.00 1.00 C ATOM 949 CG LEU A 66 -0.875 -8.484 -3.126 1.00 1.00 C ATOM 950 CD1 LEU A 66 -2.374 -8.314 -3.374 1.00 1.00 C ATOM 951 CD2 LEU A 66 -0.238 -7.093 -3.017 1.00 1.00 C ATOM 0 H LEU A 66 -0.463 -11.726 -2.632 1.00 1.00 H new ATOM 0 HA LEU A 66 1.499 -9.672 -2.346 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -1.451 -10.021 -1.727 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -0.617 -8.665 -0.993 1.00 1.00 H new ATOM 0 HG LEU A 66 -0.422 -9.022 -3.959 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -2.529 -7.714 -4.271 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -2.834 -9.293 -3.508 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -2.830 -7.813 -2.520 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -0.443 -6.527 -3.926 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -0.657 -6.567 -2.159 1.00 1.00 H new ATOM 0 HD23 LEU A 66 0.840 -7.195 -2.889 1.00 1.00 H new ATOM 963 N PRO A 67 1.900 -9.326 0.397 1.00 1.00 N ATOM 964 CA PRO A 67 2.264 -9.425 1.864 1.00 1.00 C ATOM 965 C PRO A 67 1.055 -9.304 2.813 1.00 1.00 C ATOM 966 O PRO A 67 0.061 -8.646 2.464 1.00 1.00 O ATOM 967 CB PRO A 67 3.212 -8.230 2.104 1.00 1.00 C ATOM 968 CG PRO A 67 3.714 -7.865 0.752 1.00 1.00 C ATOM 969 CD PRO A 67 2.543 -8.081 -0.164 1.00 1.00 C ATOM 0 HA PRO A 67 2.701 -10.401 2.074 1.00 1.00 H new ATOM 0 HB2 PRO A 67 2.687 -7.396 2.569 1.00 1.00 H new ATOM 0 HB3 PRO A 67 4.031 -8.502 2.770 1.00 1.00 H new ATOM 0 HG2 PRO A 67 4.053 -6.830 0.722 1.00 1.00 H new ATOM 0 HG3 PRO A 67 4.562 -8.487 0.464 1.00 1.00 H new ATOM 0 HD2 PRO A 67 1.859 -7.233 -0.152 1.00 1.00 H new ATOM 0 HD3 PRO A 67 2.859 -8.221 -1.198 1.00 1.00 H new ATOM 977 N ARG A 68 1.177 -9.953 4.012 1.00 1.00 N ATOM 978 CA ARG A 68 0.125 -9.976 5.095 1.00 1.00 C ATOM 979 C ARG A 68 -0.162 -8.592 5.755 1.00 1.00 C ATOM 980 O ARG A 68 -1.230 -8.418 6.378 1.00 1.00 O ATOM 981 CB ARG A 68 0.480 -11.005 6.179 1.00 1.00 C ATOM 982 CG ARG A 68 0.141 -12.452 5.801 1.00 1.00 C ATOM 983 CD ARG A 68 0.501 -13.443 6.911 1.00 1.00 C ATOM 984 NE ARG A 68 -0.478 -13.435 8.042 1.00 1.00 N ATOM 985 CZ ARG A 68 -0.392 -14.133 9.216 1.00 1.00 C ATOM 986 NH1 ARG A 68 0.632 -14.952 9.522 1.00 1.00 N ATOM 987 NH2 ARG A 68 -1.373 -14.005 10.101 1.00 1.00 N ATOM 0 H ARG A 68 2.013 -10.481 4.262 1.00 1.00 H new ATOM 0 HA ARG A 68 -0.795 -10.264 4.586 1.00 1.00 H new ATOM 0 HB2 ARG A 68 1.546 -10.937 6.395 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -0.048 -10.747 7.097 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -0.924 -12.528 5.581 1.00 1.00 H new ATOM 0 HG3 ARG A 68 0.675 -12.721 4.890 1.00 1.00 H new ATOM 0 HD2 ARG A 68 0.554 -14.447 6.491 1.00 1.00 H new ATOM 0 HD3 ARG A 68 1.493 -13.205 7.295 1.00 1.00 H new ATOM 0 HE ARG A 68 -1.301 -12.844 7.925 1.00 1.00 H new ATOM 0 HH11 ARG A 68 1.399 -15.078 8.862 1.00 1.00 H new ATOM 0 HH12 ARG A 68 0.641 -15.446 10.414 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -2.167 -13.397 9.898 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -1.333 -14.514 10.984 1.00 1.00 H new ATOM 1001 N ARG A 69 0.795 -7.618 5.586 1.00 1.00 N ATOM 1002 CA ARG A 69 0.699 -6.220 6.113 1.00 1.00 C ATOM 1003 C ARG A 69 -0.122 -5.304 5.164 1.00 1.00 C ATOM 1004 O ARG A 69 -0.831 -4.404 5.641 1.00 1.00 O ATOM 1005 CB ARG A 69 2.100 -5.625 6.333 1.00 1.00 C ATOM 1006 CG ARG A 69 2.777 -6.091 7.616 1.00 1.00 C ATOM 1007 CD ARG A 69 4.195 -5.564 7.722 1.00 1.00 C ATOM 1008 NE ARG A 69 4.836 -5.968 8.997 1.00 1.00 N ATOM 1009 CZ ARG A 69 6.137 -5.771 9.372 1.00 1.00 C ATOM 1010 NH1 ARG A 69 7.053 -5.159 8.596 1.00 1.00 N ATOM 1011 NH2 ARG A 69 6.519 -6.203 10.566 1.00 1.00 N ATOM 0 H ARG A 69 1.661 -7.789 5.074 1.00 1.00 H new ATOM 0 HA ARG A 69 0.178 -6.270 7.069 1.00 1.00 H new ATOM 0 HB2 ARG A 69 2.732 -5.888 5.485 1.00 1.00 H new ATOM 0 HB3 ARG A 69 2.023 -4.538 6.349 1.00 1.00 H new ATOM 0 HG2 ARG A 69 2.198 -5.755 8.476 1.00 1.00 H new ATOM 0 HG3 ARG A 69 2.790 -7.181 7.646 1.00 1.00 H new ATOM 0 HD2 ARG A 69 4.785 -5.936 6.884 1.00 1.00 H new ATOM 0 HD3 ARG A 69 4.186 -4.477 7.648 1.00 1.00 H new ATOM 0 HE ARG A 69 4.239 -6.447 9.671 1.00 1.00 H new ATOM 0 HH11 ARG A 69 6.790 -4.813 7.673 1.00 1.00 H new ATOM 0 HH12 ARG A 69 8.009 -5.042 8.932 1.00 1.00 H new ATOM 0 HH21 ARG A 69 5.849 -6.668 11.178 1.00 1.00 H new ATOM 0 HH22 ARG A 69 7.483 -6.070 10.872 1.00 1.00 H new ATOM 1025 N GLU A 70 0.001 -5.566 3.808 1.00 1.00 N ATOM 1026 CA GLU A 70 -0.724 -4.847 2.706 1.00 1.00 C ATOM 1027 C GLU A 70 -2.246 -5.162 2.656 1.00 1.00 C ATOM 1028 O GLU A 70 -3.029 -4.312 2.205 1.00 1.00 O ATOM 1029 CB GLU A 70 -0.095 -5.164 1.341 1.00 1.00 C ATOM 1030 CG GLU A 70 1.131 -4.310 0.997 1.00 1.00 C ATOM 1031 CD GLU A 70 1.613 -4.481 -0.441 1.00 1.00 C ATOM 1032 OE1 GLU A 70 0.884 -4.076 -1.380 1.00 1.00 O ATOM 1033 OE2 GLU A 70 2.736 -4.991 -0.629 1.00 1.00 O ATOM 0 H GLU A 70 0.619 -6.297 3.455 1.00 1.00 H new ATOM 0 HA GLU A 70 -0.620 -3.785 2.930 1.00 1.00 H new ATOM 0 HB2 GLU A 70 0.192 -6.215 1.322 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -0.849 -5.025 0.566 1.00 1.00 H new ATOM 0 HG2 GLU A 70 0.892 -3.261 1.168 1.00 1.00 H new ATOM 0 HG3 GLU A 70 1.944 -4.567 1.676 1.00 1.00 H new ATOM 1040 N ALA A 71 -2.631 -6.409 3.114 1.00 1.00 N ATOM 1041 CA ALA A 71 -4.050 -6.901 3.222 1.00 1.00 C ATOM 1042 C ALA A 71 -4.886 -6.110 4.276 1.00 1.00 C ATOM 1043 O ALA A 71 -6.101 -5.934 4.097 1.00 1.00 O ATOM 1044 CB ALA A 71 -4.062 -8.388 3.543 1.00 1.00 C ATOM 0 H ALA A 71 -1.951 -7.105 3.421 1.00 1.00 H new ATOM 0 HA ALA A 71 -4.523 -6.730 2.255 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.092 -8.735 3.619 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -3.552 -8.935 2.750 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -3.550 -8.560 4.490 1.00 1.00 H new ATOM 1050 N GLU A 72 -4.182 -5.659 5.376 1.00 1.00 N ATOM 1051 CA GLU A 72 -4.739 -4.811 6.490 1.00 1.00 C ATOM 1052 C GLU A 72 -4.964 -3.330 6.053 1.00 1.00 C ATOM 1053 O GLU A 72 -5.835 -2.647 6.612 1.00 1.00 O ATOM 1054 CB GLU A 72 -3.823 -4.860 7.724 1.00 1.00 C ATOM 1055 CG GLU A 72 -4.003 -6.110 8.583 1.00 1.00 C ATOM 1056 CD GLU A 72 -3.096 -6.126 9.800 1.00 1.00 C ATOM 1057 OE1 GLU A 72 -1.947 -6.600 9.679 1.00 1.00 O ATOM 1058 OE2 GLU A 72 -3.538 -5.670 10.876 1.00 1.00 O ATOM 0 H GLU A 72 -3.196 -5.881 5.511 1.00 1.00 H new ATOM 0 HA GLU A 72 -5.712 -5.231 6.747 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -2.785 -4.804 7.396 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -4.011 -3.979 8.338 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -5.041 -6.174 8.909 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -3.804 -6.993 7.976 1.00 1.00 H new ATOM 1065 N LYS A 73 -4.131 -2.864 5.053 1.00 1.00 N ATOM 1066 CA LYS A 73 -4.199 -1.506 4.403 1.00 1.00 C ATOM 1067 C LYS A 73 -5.435 -1.346 3.472 1.00 1.00 C ATOM 1068 O LYS A 73 -5.915 -0.221 3.264 1.00 1.00 O ATOM 1069 CB LYS A 73 -2.926 -1.208 3.598 1.00 1.00 C ATOM 1070 CG LYS A 73 -1.747 -0.742 4.441 1.00 1.00 C ATOM 1071 CD LYS A 73 -0.534 -0.454 3.577 1.00 1.00 C ATOM 1072 CE LYS A 73 0.624 0.063 4.409 1.00 1.00 C ATOM 1073 NZ LYS A 73 1.816 0.355 3.570 1.00 1.00 N ATOM 0 H LYS A 73 -3.379 -3.438 4.672 1.00 1.00 H new ATOM 0 HA LYS A 73 -4.293 -0.792 5.221 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -2.636 -2.107 3.053 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -3.151 -0.443 2.854 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -2.024 0.156 4.994 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -1.499 -1.506 5.178 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -0.233 -1.362 3.055 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -0.794 0.281 2.815 1.00 1.00 H new ATOM 0 HE2 LYS A 73 0.319 0.967 4.935 1.00 1.00 H new ATOM 0 HE3 LYS A 73 0.885 -0.675 5.168 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 2.587 0.706 4.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 2.122 -0.514 3.087 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 1.574 1.077 2.862 1.00 1.00 H new ATOM 1087 N VAL A 74 -5.922 -2.517 2.920 1.00 1.00 N ATOM 1088 CA VAL A 74 -7.125 -2.651 2.001 1.00 1.00 C ATOM 1089 C VAL A 74 -8.444 -2.247 2.762 1.00 1.00 C ATOM 1090 O VAL A 74 -9.323 -1.646 2.157 1.00 1.00 O ATOM 1091 CB VAL A 74 -7.276 -4.109 1.320 1.00 1.00 C ATOM 1092 CG1 VAL A 74 -8.203 -4.103 0.081 1.00 1.00 C ATOM 1093 CG2 VAL A 74 -5.936 -4.727 0.871 1.00 1.00 C ATOM 0 H VAL A 74 -5.479 -3.417 3.105 1.00 1.00 H new ATOM 0 HA VAL A 74 -6.953 -1.960 1.175 1.00 1.00 H new ATOM 0 HB VAL A 74 -7.709 -4.711 2.119 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -8.265 -5.110 -0.332 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -9.199 -3.769 0.373 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -7.800 -3.426 -0.672 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -6.118 -5.704 0.424 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -5.462 -4.075 0.137 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -5.280 -4.839 1.734 1.00 1.00 H new ATOM 1103 N PHE A 75 -8.558 -2.619 4.082 1.00 1.00 N ATOM 1104 CA PHE A 75 -9.705 -2.258 4.993 1.00 1.00 C ATOM 1105 C PHE A 75 -9.901 -0.721 5.183 1.00 1.00 C ATOM 1106 O PHE A 75 -11.034 -0.270 5.404 1.00 1.00 O ATOM 1107 CB PHE A 75 -9.481 -2.902 6.377 1.00 1.00 C ATOM 1108 CG PHE A 75 -10.335 -4.120 6.668 1.00 1.00 C ATOM 1109 CD1 PHE A 75 -9.903 -5.398 6.322 1.00 1.00 C ATOM 1110 CD2 PHE A 75 -11.566 -3.987 7.302 1.00 1.00 C ATOM 1111 CE1 PHE A 75 -10.681 -6.506 6.596 1.00 1.00 C ATOM 1112 CE2 PHE A 75 -12.345 -5.095 7.575 1.00 1.00 C ATOM 1113 CZ PHE A 75 -11.903 -6.355 7.222 1.00 1.00 C ATOM 0 H PHE A 75 -7.848 -3.184 4.548 1.00 1.00 H new ATOM 0 HA PHE A 75 -10.607 -2.637 4.513 1.00 1.00 H new ATOM 0 HB2 PHE A 75 -8.432 -3.185 6.463 1.00 1.00 H new ATOM 0 HB3 PHE A 75 -9.673 -2.152 7.144 1.00 1.00 H new ATOM 0 HD1 PHE A 75 -8.948 -5.524 5.834 1.00 1.00 H new ATOM 0 HD2 PHE A 75 -11.917 -3.005 7.584 1.00 1.00 H new ATOM 0 HE1 PHE A 75 -10.334 -7.491 6.321 1.00 1.00 H new ATOM 0 HE2 PHE A 75 -13.300 -4.976 8.065 1.00 1.00 H new ATOM 0 HZ PHE A 75 -12.512 -7.221 7.435 1.00 1.00 H new ATOM 1123 N GLU A 76 -8.765 0.058 5.054 1.00 1.00 N ATOM 1124 CA GLU A 76 -8.702 1.545 5.229 1.00 1.00 C ATOM 1125 C GLU A 76 -9.443 2.333 4.111 1.00 1.00 C ATOM 1126 O GLU A 76 -10.114 3.330 4.424 1.00 1.00 O ATOM 1127 CB GLU A 76 -7.225 2.003 5.316 1.00 1.00 C ATOM 1128 CG GLU A 76 -6.960 3.109 6.353 1.00 1.00 C ATOM 1129 CD GLU A 76 -6.507 2.558 7.694 1.00 1.00 C ATOM 1130 OE1 GLU A 76 -7.378 2.245 8.533 1.00 1.00 O ATOM 1131 OE2 GLU A 76 -5.280 2.436 7.902 1.00 1.00 O ATOM 0 H GLU A 76 -7.858 -0.346 4.821 1.00 1.00 H new ATOM 0 HA GLU A 76 -9.222 1.772 6.160 1.00 1.00 H new ATOM 0 HB2 GLU A 76 -6.604 1.140 5.557 1.00 1.00 H new ATOM 0 HB3 GLU A 76 -6.910 2.359 4.335 1.00 1.00 H new ATOM 0 HG2 GLU A 76 -6.199 3.788 5.968 1.00 1.00 H new ATOM 0 HG3 GLU A 76 -7.868 3.695 6.494 1.00 1.00 H new ATOM 1138 N LEU A 77 -9.298 1.868 2.824 1.00 1.00 N ATOM 1139 CA LEU A 77 -9.958 2.463 1.618 1.00 1.00 C ATOM 1140 C LEU A 77 -11.501 2.203 1.574 1.00 1.00 C ATOM 1141 O LEU A 77 -12.262 3.057 1.090 1.00 1.00 O ATOM 1142 CB LEU A 77 -9.264 1.984 0.296 1.00 1.00 C ATOM 1143 CG LEU A 77 -9.044 0.465 0.069 1.00 1.00 C ATOM 1144 CD1 LEU A 77 -10.161 -0.117 -0.782 1.00 1.00 C ATOM 1145 CD2 LEU A 77 -7.684 0.192 -0.558 1.00 1.00 C ATOM 0 H LEU A 77 -8.714 1.063 2.599 1.00 1.00 H new ATOM 0 HA LEU A 77 -9.831 3.542 1.700 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.854 2.359 -0.540 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.289 2.469 0.242 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.064 -0.026 1.042 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.988 -1.183 -0.930 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -11.116 0.029 -0.278 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -10.181 0.385 -1.749 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -7.560 -0.881 -0.705 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.619 0.700 -1.520 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -6.899 0.562 0.101 1.00 1.00 H new ATOM 1157 N LEU A 78 -11.904 0.993 2.086 1.00 1.00 N ATOM 1158 CA LEU A 78 -13.319 0.531 2.207 1.00 1.00 C ATOM 1159 C LEU A 78 -14.050 1.155 3.442 1.00 1.00 C ATOM 1160 O LEU A 78 -15.293 1.214 3.450 1.00 1.00 O ATOM 1161 CB LEU A 78 -13.368 -0.998 2.306 1.00 1.00 C ATOM 1162 CG LEU A 78 -13.180 -1.758 0.984 1.00 1.00 C ATOM 1163 CD1 LEU A 78 -12.017 -2.724 1.075 1.00 1.00 C ATOM 1164 CD2 LEU A 78 -14.437 -2.510 0.614 1.00 1.00 C ATOM 0 H LEU A 78 -11.236 0.303 2.431 1.00 1.00 H new ATOM 0 HA LEU A 78 -13.839 0.867 1.310 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.596 -1.323 3.004 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -14.328 -1.285 2.736 1.00 1.00 H new ATOM 0 HG LEU A 78 -12.966 -1.022 0.209 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -11.905 -3.249 0.126 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -11.103 -2.173 1.295 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -12.205 -3.446 1.870 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -14.280 -3.040 -0.325 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -14.677 -3.226 1.400 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -15.262 -1.806 0.500 1.00 1.00 H new ATOM 1176 N ASN A 79 -13.245 1.606 4.472 1.00 1.00 N ATOM 1177 CA ASN A 79 -13.747 2.268 5.712 1.00 1.00 C ATOM 1178 C ASN A 79 -13.935 3.812 5.549 1.00 1.00 C ATOM 1179 O ASN A 79 -14.544 4.459 6.428 1.00 1.00 O ATOM 1180 CB ASN A 79 -12.811 1.951 6.892 1.00 1.00 C ATOM 1181 CG ASN A 79 -13.353 0.826 7.755 1.00 1.00 C ATOM 1182 OD1 ASN A 79 -14.324 1.008 8.490 1.00 1.00 O ATOM 1183 ND2 ASN A 79 -12.730 -0.342 7.669 1.00 1.00 N ATOM 0 H ASN A 79 -12.229 1.514 4.453 1.00 1.00 H new ATOM 0 HA ASN A 79 -14.738 1.862 5.914 1.00 1.00 H new ATOM 0 HB2 ASN A 79 -11.827 1.676 6.512 1.00 1.00 H new ATOM 0 HB3 ASN A 79 -12.679 2.845 7.501 1.00 1.00 H new ATOM 0 HD21 ASN A 79 -13.052 -1.134 8.225 1.00 1.00 H new ATOM 0 HD22 ASN A 79 -11.929 -0.448 7.046 1.00 1.00 H new ATOM 1190 N ASP A 80 -13.431 4.378 4.393 1.00 1.00 N ATOM 1191 CA ASP A 80 -13.534 5.825 4.013 1.00 1.00 C ATOM 1192 C ASP A 80 -14.979 6.277 3.652 1.00 1.00 C ATOM 1193 O ASP A 80 -15.361 7.412 3.962 1.00 1.00 O ATOM 1194 CB ASP A 80 -12.592 6.126 2.839 1.00 1.00 C ATOM 1195 CG ASP A 80 -11.168 6.429 3.281 1.00 1.00 C ATOM 1196 OD1 ASP A 80 -10.946 7.487 3.912 1.00 1.00 O ATOM 1197 OD2 ASP A 80 -10.270 5.613 2.987 1.00 1.00 O ATOM 0 H ASP A 80 -12.935 3.825 3.694 1.00 1.00 H new ATOM 0 HA ASP A 80 -13.242 6.393 4.896 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -12.582 5.273 2.161 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -12.981 6.975 2.277 1.00 1.00 H new ATOM 1202 N PHE A 81 -15.778 5.340 2.988 1.00 1.00 N ATOM 1203 CA PHE A 81 -17.223 5.508 2.527 1.00 1.00 C ATOM 1204 C PHE A 81 -17.431 6.685 1.511 1.00 1.00 C ATOM 1205 O PHE A 81 -17.645 6.422 0.313 1.00 1.00 O ATOM 1206 CB PHE A 81 -18.242 5.578 3.733 1.00 1.00 C ATOM 1207 CG PHE A 81 -18.807 4.257 4.192 1.00 1.00 C ATOM 1208 CD1 PHE A 81 -18.168 3.509 5.173 1.00 1.00 C ATOM 1209 CD2 PHE A 81 -19.999 3.782 3.665 1.00 1.00 C ATOM 1210 CE1 PHE A 81 -18.705 2.316 5.614 1.00 1.00 C ATOM 1211 CE2 PHE A 81 -20.537 2.586 4.100 1.00 1.00 C ATOM 1212 CZ PHE A 81 -19.891 1.853 5.076 1.00 1.00 C ATOM 0 H PHE A 81 -15.415 4.416 2.754 1.00 1.00 H new ATOM 0 HA PHE A 81 -17.448 4.598 1.972 1.00 1.00 H new ATOM 0 HB2 PHE A 81 -17.743 6.052 4.578 1.00 1.00 H new ATOM 0 HB3 PHE A 81 -19.070 6.226 3.447 1.00 1.00 H new ATOM 0 HD1 PHE A 81 -17.240 3.865 5.596 1.00 1.00 H new ATOM 0 HD2 PHE A 81 -20.512 4.354 2.906 1.00 1.00 H new ATOM 0 HE1 PHE A 81 -18.199 1.745 6.378 1.00 1.00 H new ATOM 0 HE2 PHE A 81 -21.463 2.224 3.677 1.00 1.00 H new ATOM 0 HZ PHE A 81 -20.312 0.919 5.418 1.00 1.00 H new ATOM 1222 N LYS A 82 -17.340 7.953 2.020 1.00 1.00 N ATOM 1223 CA LYS A 82 -17.489 9.194 1.240 1.00 1.00 C ATOM 1224 C LYS A 82 -16.293 10.109 1.508 1.00 1.00 C ATOM 1225 O LYS A 82 -15.886 10.283 2.680 1.00 1.00 O ATOM 1226 CB LYS A 82 -18.805 9.909 1.596 1.00 1.00 C ATOM 1227 CG LYS A 82 -20.026 9.392 0.842 1.00 1.00 C ATOM 1228 CD LYS A 82 -21.296 10.086 1.312 1.00 1.00 C ATOM 1229 CE LYS A 82 -22.520 9.609 0.546 1.00 1.00 C ATOM 1230 NZ LYS A 82 -23.761 10.286 1.015 1.00 1.00 N ATOM 0 H LYS A 82 -17.157 8.129 3.008 1.00 1.00 H new ATOM 0 HA LYS A 82 -17.521 8.944 0.179 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -18.983 9.805 2.666 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -18.692 10.974 1.394 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -19.893 9.556 -0.227 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -20.120 8.316 0.990 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -21.439 9.900 2.376 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -21.188 11.164 1.189 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -22.381 9.800 -0.518 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -22.626 8.531 0.665 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -24.575 9.936 0.470 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -23.907 10.083 2.024 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -23.669 11.313 0.878 1.00 1.00 H new ATOM 1244 N GLY A 83 -15.755 10.684 0.404 1.00 1.00 N ATOM 1245 CA GLY A 83 -14.587 11.574 0.441 1.00 1.00 C ATOM 1246 C GLY A 83 -13.339 10.871 -0.053 1.00 1.00 C ATOM 1247 O GLY A 83 -12.882 9.907 0.595 1.00 1.00 O ATOM 0 H GLY A 83 -16.126 10.538 -0.535 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -14.778 12.453 -0.174 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -14.428 11.926 1.460 1.00 1.00 H new ATOM 1251 N GLY A 84 -12.815 11.364 -1.202 1.00 1.00 N ATOM 1252 CA GLY A 84 -11.622 10.810 -1.845 1.00 1.00 C ATOM 1253 C GLY A 84 -11.911 10.070 -3.150 1.00 1.00 C ATOM 1254 O GLY A 84 -11.170 10.265 -4.131 1.00 1.00 O ATOM 0 H GLY A 84 -13.216 12.158 -1.701 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -10.920 11.619 -2.045 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -11.132 10.127 -1.152 1.00 1.00 H new ATOM 1258 N ILE A 85 -12.994 9.241 -3.150 1.00 1.00 N ATOM 1259 CA ILE A 85 -13.420 8.423 -4.322 1.00 1.00 C ATOM 1260 C ILE A 85 -14.701 9.062 -4.900 1.00 1.00 C ATOM 1261 O ILE A 85 -15.686 9.259 -4.162 1.00 1.00 O ATOM 1262 CB ILE A 85 -13.680 6.862 -3.999 1.00 1.00 C ATOM 1263 CG1 ILE A 85 -12.702 6.263 -2.957 1.00 1.00 C ATOM 1264 CG2 ILE A 85 -13.569 5.976 -5.264 1.00 1.00 C ATOM 1265 CD1 ILE A 85 -13.357 5.964 -1.626 1.00 1.00 C ATOM 0 H ILE A 85 -13.596 9.122 -2.336 1.00 1.00 H new ATOM 0 HA ILE A 85 -12.597 8.428 -5.036 1.00 1.00 H new ATOM 0 HB ILE A 85 -14.692 6.853 -3.595 1.00 1.00 H new ATOM 0 HG12 ILE A 85 -12.273 5.345 -3.358 1.00 1.00 H new ATOM 0 HG13 ILE A 85 -11.878 6.959 -2.801 1.00 1.00 H new ATOM 0 HG21 ILE A 85 -13.752 4.935 -4.996 1.00 1.00 H new ATOM 0 HG22 ILE A 85 -14.307 6.297 -5.999 1.00 1.00 H new ATOM 0 HG23 ILE A 85 -12.570 6.071 -5.689 1.00 1.00 H new ATOM 0 HD11 ILE A 85 -12.618 5.547 -0.942 1.00 1.00 H new ATOM 0 HD12 ILE A 85 -13.762 6.884 -1.205 1.00 1.00 H new ATOM 0 HD13 ILE A 85 -14.163 5.245 -1.771 1.00 1.00 H new ATOM 1277 N ASP A 86 -14.628 9.381 -6.214 1.00 1.00 N ATOM 1278 CA ASP A 86 -15.730 9.978 -6.984 1.00 1.00 C ATOM 1279 C ASP A 86 -16.161 9.027 -8.106 1.00 1.00 C ATOM 1280 O ASP A 86 -15.308 8.536 -8.875 1.00 1.00 O ATOM 1281 CB ASP A 86 -15.312 11.344 -7.552 1.00 1.00 C ATOM 1282 CG ASP A 86 -16.409 12.386 -7.428 1.00 1.00 C ATOM 1283 OD1 ASP A 86 -17.396 12.302 -8.191 1.00 1.00 O ATOM 1284 OD2 ASP A 86 -16.283 13.282 -6.568 1.00 1.00 O ATOM 0 H ASP A 86 -13.788 9.226 -6.771 1.00 1.00 H new ATOM 0 HA ASP A 86 -16.580 10.136 -6.320 1.00 1.00 H new ATOM 0 HB2 ASP A 86 -14.422 11.694 -7.029 1.00 1.00 H new ATOM 0 HB3 ASP A 86 -15.041 11.230 -8.602 1.00 1.00 H new ATOM 1289 N TRP A 87 -17.497 8.752 -8.151 1.00 1.00 N ATOM 1290 CA TRP A 87 -18.153 7.851 -9.164 1.00 1.00 C ATOM 1291 C TRP A 87 -18.415 8.533 -10.529 1.00 1.00 C ATOM 1292 O TRP A 87 -18.370 7.853 -11.569 1.00 1.00 O ATOM 1293 CB TRP A 87 -19.471 7.267 -8.619 1.00 1.00 C ATOM 1294 CG TRP A 87 -19.277 6.266 -7.493 1.00 1.00 C ATOM 1295 CD1 TRP A 87 -19.468 6.523 -6.167 1.00 1.00 C ATOM 1296 CD2 TRP A 87 -18.841 4.878 -7.573 1.00 1.00 C ATOM 1297 NE1 TRP A 87 -19.183 5.412 -5.420 1.00 1.00 N ATOM 1298 CE2 TRP A 87 -18.801 4.395 -6.253 1.00 1.00 C ATOM 1299 CE3 TRP A 87 -18.484 3.994 -8.619 1.00 1.00 C ATOM 1300 CZ2 TRP A 87 -18.422 3.099 -5.944 1.00 1.00 C ATOM 1301 CZ3 TRP A 87 -18.108 2.701 -8.303 1.00 1.00 C ATOM 1302 CH2 TRP A 87 -18.081 2.264 -6.975 1.00 1.00 C ATOM 0 H TRP A 87 -18.159 9.149 -7.484 1.00 1.00 H new ATOM 0 HA TRP A 87 -17.437 7.048 -9.340 1.00 1.00 H new ATOM 0 HB2 TRP A 87 -20.100 8.083 -8.263 1.00 1.00 H new ATOM 0 HB3 TRP A 87 -20.008 6.783 -9.435 1.00 1.00 H new ATOM 0 HD1 TRP A 87 -19.797 7.469 -5.764 1.00 1.00 H new ATOM 0 HE1 TRP A 87 -19.245 5.351 -4.404 1.00 1.00 H new ATOM 0 HE3 TRP A 87 -18.505 4.324 -9.647 1.00 1.00 H new ATOM 0 HZ2 TRP A 87 -18.396 2.757 -4.920 1.00 1.00 H new ATOM 0 HZ3 TRP A 87 -17.831 2.019 -9.093 1.00 1.00 H new ATOM 0 HH2 TRP A 87 -17.785 1.248 -6.758 1.00 1.00 H new ATOM 1313 N GLU A 88 -18.703 9.873 -10.488 1.00 1.00 N ATOM 1314 CA GLU A 88 -18.964 10.734 -11.688 1.00 1.00 C ATOM 1315 C GLU A 88 -17.659 11.208 -12.388 1.00 1.00 C ATOM 1316 O GLU A 88 -17.635 11.307 -13.629 1.00 1.00 O ATOM 1317 CB GLU A 88 -19.820 11.956 -11.298 1.00 1.00 C ATOM 1318 CG GLU A 88 -21.309 11.658 -11.141 1.00 1.00 C ATOM 1319 CD GLU A 88 -22.105 12.874 -10.707 1.00 1.00 C ATOM 1320 OE1 GLU A 88 -22.217 13.105 -9.485 1.00 1.00 O ATOM 1321 OE2 GLU A 88 -22.617 13.594 -11.590 1.00 1.00 O ATOM 0 H GLU A 88 -18.761 10.390 -9.611 1.00 1.00 H new ATOM 0 HA GLU A 88 -19.507 10.114 -12.402 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -19.443 12.364 -10.360 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -19.694 12.729 -12.056 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -21.704 11.289 -12.088 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -21.441 10.862 -10.409 1.00 1.00 H new ATOM 1328 N ASN A 89 -16.604 11.491 -11.566 1.00 1.00 N ATOM 1329 CA ASN A 89 -15.266 11.937 -12.031 1.00 1.00 C ATOM 1330 C ASN A 89 -14.255 10.770 -12.225 1.00 1.00 C ATOM 1331 O ASN A 89 -13.234 10.952 -12.910 1.00 1.00 O ATOM 1332 CB ASN A 89 -14.695 12.963 -11.046 1.00 1.00 C ATOM 1333 CG ASN A 89 -14.567 14.339 -11.665 1.00 1.00 C ATOM 1334 OD1 ASN A 89 -15.547 15.073 -11.784 1.00 1.00 O ATOM 1335 ND2 ASN A 89 -13.352 14.691 -12.070 1.00 1.00 N ATOM 0 H ASN A 89 -16.666 11.413 -10.551 1.00 1.00 H new ATOM 0 HA ASN A 89 -15.409 12.387 -13.013 1.00 1.00 H new ATOM 0 HB2 ASN A 89 -15.339 13.020 -10.169 1.00 1.00 H new ATOM 0 HB3 ASN A 89 -13.716 12.629 -10.702 1.00 1.00 H new ATOM 0 HD21 ASN A 89 -13.202 15.604 -12.500 1.00 1.00 H new ATOM 0 HD22 ASN A 89 -12.569 14.049 -11.951 1.00 1.00 H new ATOM 1342 N LYS A 90 -14.565 9.538 -11.636 1.00 1.00 N ATOM 1343 CA LYS A 90 -13.728 8.257 -11.679 1.00 1.00 C ATOM 1344 C LYS A 90 -12.279 8.429 -11.063 1.00 1.00 C ATOM 1345 O LYS A 90 -11.253 7.950 -11.617 1.00 1.00 O ATOM 1346 CB LYS A 90 -13.714 7.626 -13.117 1.00 1.00 C ATOM 1347 CG LYS A 90 -14.867 6.680 -13.394 1.00 1.00 C ATOM 1348 CD LYS A 90 -14.835 6.206 -14.834 1.00 1.00 C ATOM 1349 CE LYS A 90 -15.970 5.246 -15.133 1.00 1.00 C ATOM 1350 NZ LYS A 90 -15.965 4.815 -16.557 1.00 1.00 N ATOM 0 H LYS A 90 -15.427 9.409 -11.106 1.00 1.00 H new ATOM 0 HA LYS A 90 -14.224 7.542 -11.023 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -13.733 8.429 -13.854 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -12.776 7.088 -13.256 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -14.811 5.823 -12.722 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -15.813 7.182 -13.192 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -14.900 7.065 -15.502 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -13.882 5.717 -15.035 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -15.887 4.371 -14.488 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -16.922 5.724 -14.901 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -16.755 4.159 -16.724 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -16.070 5.647 -17.172 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -15.067 4.337 -16.772 1.00 1.00 H new ATOM 1364 N ARG A 91 -12.247 9.118 -9.888 1.00 1.00 N ATOM 1365 CA ARG A 91 -11.003 9.414 -9.130 1.00 1.00 C ATOM 1366 C ARG A 91 -10.988 8.687 -7.792 1.00 1.00 C ATOM 1367 O ARG A 91 -12.009 8.670 -7.079 1.00 1.00 O ATOM 1368 CB ARG A 91 -10.818 10.930 -8.918 1.00 1.00 C ATOM 1369 CG ARG A 91 -10.373 11.687 -10.167 1.00 1.00 C ATOM 1370 CD ARG A 91 -10.284 13.182 -9.921 1.00 1.00 C ATOM 1371 NE ARG A 91 -9.841 13.912 -11.136 1.00 1.00 N ATOM 1372 CZ ARG A 91 -9.680 15.263 -11.282 1.00 1.00 C ATOM 1373 NH1 ARG A 91 -9.900 16.154 -10.295 1.00 1.00 N ATOM 1374 NH2 ARG A 91 -9.285 15.724 -12.461 1.00 1.00 N ATOM 0 H ARG A 91 -13.088 9.484 -9.441 1.00 1.00 H new ATOM 0 HA ARG A 91 -10.167 9.051 -9.728 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -11.759 11.354 -8.566 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -10.082 11.088 -8.130 1.00 1.00 H new ATOM 0 HG2 ARG A 91 -9.401 11.314 -10.491 1.00 1.00 H new ATOM 0 HG3 ARG A 91 -11.075 11.494 -10.978 1.00 1.00 H new ATOM 0 HD2 ARG A 91 -11.257 13.558 -9.605 1.00 1.00 H new ATOM 0 HD3 ARG A 91 -9.587 13.376 -9.105 1.00 1.00 H new ATOM 0 HE ARG A 91 -9.633 13.341 -11.955 1.00 1.00 H new ATOM 0 HH11 ARG A 91 -10.204 15.832 -9.376 1.00 1.00 H new ATOM 0 HH12 ARG A 91 -9.762 17.150 -10.467 1.00 1.00 H new ATOM 0 HH21 ARG A 91 -9.110 15.076 -13.229 1.00 1.00 H new ATOM 0 HH22 ARG A 91 -9.156 16.726 -12.600 1.00 1.00 H new ATOM 1388 N VAL A 92 -9.808 8.101 -7.487 1.00 1.00 N ATOM 1389 CA VAL A 92 -9.559 7.319 -6.245 1.00 1.00 C ATOM 1390 C VAL A 92 -8.417 8.016 -5.471 1.00 1.00 C ATOM 1391 O VAL A 92 -7.343 8.272 -6.049 1.00 1.00 O ATOM 1392 CB VAL A 92 -9.208 5.762 -6.493 1.00 1.00 C ATOM 1393 CG1 VAL A 92 -9.535 4.889 -5.258 1.00 1.00 C ATOM 1394 CG2 VAL A 92 -9.929 5.131 -7.715 1.00 1.00 C ATOM 0 H VAL A 92 -8.993 8.155 -8.098 1.00 1.00 H new ATOM 0 HA VAL A 92 -10.486 7.305 -5.672 1.00 1.00 H new ATOM 0 HB VAL A 92 -8.136 5.770 -6.691 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -9.283 3.850 -5.470 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -8.955 5.236 -4.403 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -10.598 4.965 -5.030 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -9.637 4.085 -7.809 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -11.008 5.196 -7.574 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -9.648 5.669 -8.621 1.00 1.00 H new ATOM 1404 N LYS A 93 -8.700 8.308 -4.176 1.00 1.00 N ATOM 1405 CA LYS A 93 -7.761 8.961 -3.246 1.00 1.00 C ATOM 1406 C LYS A 93 -7.533 8.084 -2.012 1.00 1.00 C ATOM 1407 O LYS A 93 -8.505 7.555 -1.430 1.00 1.00 O ATOM 1408 CB LYS A 93 -8.301 10.335 -2.826 1.00 1.00 C ATOM 1409 CG LYS A 93 -7.364 11.491 -3.120 1.00 1.00 C ATOM 1410 CD LYS A 93 -8.019 12.833 -2.810 1.00 1.00 C ATOM 1411 CE LYS A 93 -7.073 14.012 -3.070 1.00 1.00 C ATOM 1412 NZ LYS A 93 -7.065 14.421 -4.506 1.00 1.00 N ATOM 0 H LYS A 93 -9.601 8.091 -3.749 1.00 1.00 H new ATOM 0 HA LYS A 93 -6.807 9.098 -3.756 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -9.248 10.512 -3.336 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -8.513 10.318 -1.757 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -6.455 11.383 -2.529 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -7.068 11.463 -4.169 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -8.916 12.947 -3.419 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -8.338 12.848 -1.768 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -7.373 14.860 -2.454 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -6.063 13.739 -2.766 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -6.412 15.220 -4.636 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -6.753 13.621 -5.093 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -8.024 14.707 -4.791 1.00 1.00 H new ATOM 1426 N LEU A 94 -6.235 7.933 -1.653 1.00 1.00 N ATOM 1427 CA LEU A 94 -5.778 7.145 -0.500 1.00 1.00 C ATOM 1428 C LEU A 94 -4.986 8.029 0.460 1.00 1.00 C ATOM 1429 O LEU A 94 -4.074 8.768 0.033 1.00 1.00 O ATOM 1430 CB LEU A 94 -4.938 5.944 -0.968 1.00 1.00 C ATOM 1431 CG LEU A 94 -5.738 4.705 -1.411 1.00 1.00 C ATOM 1432 CD1 LEU A 94 -5.295 4.237 -2.788 1.00 1.00 C ATOM 1433 CD2 LEU A 94 -5.588 3.572 -0.400 1.00 1.00 C ATOM 0 H LEU A 94 -5.470 8.366 -2.170 1.00 1.00 H new ATOM 0 HA LEU A 94 -6.648 6.759 0.031 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -4.310 6.265 -1.799 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -4.270 5.652 -0.157 1.00 1.00 H new ATOM 0 HG LEU A 94 -6.789 4.989 -1.462 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -5.875 3.361 -3.078 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -5.456 5.035 -3.513 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -4.236 3.979 -2.761 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -6.162 2.708 -0.734 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -4.536 3.298 -0.314 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -5.958 3.900 0.571 1.00 1.00 H new ATOM 1445 N LYS A 95 -5.385 7.944 1.747 1.00 1.00 N ATOM 1446 CA LYS A 95 -4.777 8.698 2.860 1.00 1.00 C ATOM 1447 C LYS A 95 -4.035 7.767 3.822 1.00 1.00 C ATOM 1448 O LYS A 95 -2.923 8.136 4.256 1.00 1.00 O ATOM 1449 CB LYS A 95 -5.855 9.487 3.612 1.00 1.00 C ATOM 1450 CG LYS A 95 -5.856 10.972 3.288 1.00 1.00 C ATOM 1451 CD LYS A 95 -7.024 11.688 3.948 1.00 1.00 C ATOM 1452 CE LYS A 95 -7.017 13.175 3.629 1.00 1.00 C ATOM 1453 NZ LYS A 95 -8.158 13.884 4.268 1.00 1.00 N ATOM 1454 OXT LYS A 95 -4.567 6.674 4.135 1.00 1.00 O ATOM 0 H LYS A 95 -6.151 7.340 2.045 1.00 1.00 H new ATOM 0 HA LYS A 95 -4.051 9.394 2.440 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -6.833 9.070 3.372 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -5.708 9.357 4.684 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -4.919 11.418 3.622 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -5.908 11.109 2.208 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -7.961 11.246 3.609 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -6.976 11.546 5.028 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -6.080 13.615 3.969 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -7.061 13.315 2.549 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -8.118 14.895 4.027 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -9.053 13.481 3.924 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -8.102 13.772 5.300 1.00 1.00 H new TER 1468 LYS A 95 HETATM 1469 ZN ZN A 96 7.755 -6.203 -12.671 1.00 1.00 ZN