USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 403 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 1 SER N :NH3+ 144:sc= 0.0141 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 37:sc= 0.0868 USER MOD Single : A 15 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc=-0.00331 X(o=-0.0033,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.757 K(o=-0.76,f=-8.8!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -58:sc= -0.0984 USER MOD Single : A 42 MET CE :methyl -177:sc= 0 (180deg=-0.00622) USER MOD Single : A 44 THR OG1 : rot 127:sc= 1.28 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -178:sc= 0 (180deg=-0.0033) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.03 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0.513 K(o=0.51,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 23.782 33.533 27.809 1.00 0.00 N ATOM 2 CA SER A 1 25.189 33.775 28.184 1.00 0.00 C ATOM 3 C SER A 1 26.058 33.786 26.935 1.00 0.00 C ATOM 4 O SER A 1 25.918 32.906 26.083 1.00 0.00 O ATOM 5 CB SER A 1 25.682 32.733 29.186 1.00 0.00 C ATOM 6 OG SER A 1 26.915 33.147 29.729 1.00 0.00 O ATOM 0 H1 SER A 1 23.324 32.949 28.538 1.00 0.00 H new ATOM 0 H2 SER A 1 23.283 34.442 27.730 1.00 0.00 H new ATOM 0 H3 SER A 1 23.747 33.038 26.895 1.00 0.00 H new ATOM 0 HA SER A 1 25.258 34.748 28.670 1.00 0.00 H new ATOM 0 HB2 SER A 1 24.948 32.603 29.981 1.00 0.00 H new ATOM 0 HB3 SER A 1 25.795 31.766 28.695 1.00 0.00 H new ATOM 0 HG SER A 1 27.230 32.479 30.373 1.00 0.00 H new ATOM 12 N MET A 2 26.896 34.812 26.761 1.00 0.00 N ATOM 13 CA MET A 2 27.511 35.180 25.471 1.00 0.00 C ATOM 14 C MET A 2 28.929 35.742 25.673 1.00 0.00 C ATOM 15 O MET A 2 29.160 36.938 25.472 1.00 0.00 O ATOM 16 CB MET A 2 26.605 36.196 24.741 1.00 0.00 C ATOM 17 CG MET A 2 25.175 35.696 24.509 1.00 0.00 C ATOM 18 SD MET A 2 24.137 36.841 23.579 1.00 0.00 S ATOM 19 CE MET A 2 22.596 35.911 23.749 1.00 0.00 C ATOM 0 H MET A 2 27.175 35.426 27.526 1.00 0.00 H new ATOM 0 HA MET A 2 27.605 34.286 24.855 1.00 0.00 H new ATOM 0 HB2 MET A 2 26.568 37.118 25.322 1.00 0.00 H new ATOM 0 HB3 MET A 2 27.054 36.443 23.779 1.00 0.00 H new ATOM 0 HG2 MET A 2 25.216 34.745 23.977 1.00 0.00 H new ATOM 0 HG3 MET A 2 24.708 35.502 25.475 1.00 0.00 H new ATOM 0 HE1 MET A 2 21.792 36.442 23.239 1.00 0.00 H new ATOM 0 HE2 MET A 2 22.717 34.923 23.306 1.00 0.00 H new ATOM 0 HE3 MET A 2 22.348 35.807 24.805 1.00 0.00 H new ATOM 29 N VAL A 3 29.853 34.889 26.126 1.00 0.00 N ATOM 30 CA VAL A 3 31.220 35.253 26.561 1.00 0.00 C ATOM 31 C VAL A 3 32.317 34.487 25.809 1.00 0.00 C ATOM 32 O VAL A 3 32.087 33.399 25.275 1.00 0.00 O ATOM 33 CB VAL A 3 31.423 35.059 28.086 1.00 0.00 C ATOM 34 CG1 VAL A 3 30.566 36.051 28.890 1.00 0.00 C ATOM 35 CG2 VAL A 3 31.134 33.627 28.572 1.00 0.00 C ATOM 0 H VAL A 3 29.671 33.889 26.206 1.00 0.00 H new ATOM 0 HA VAL A 3 31.315 36.311 26.318 1.00 0.00 H new ATOM 0 HB VAL A 3 32.481 35.252 28.261 1.00 0.00 H new ATOM 0 HG11 VAL A 3 30.729 35.892 29.956 1.00 0.00 H new ATOM 0 HG12 VAL A 3 30.848 37.071 28.628 1.00 0.00 H new ATOM 0 HG13 VAL A 3 29.513 35.895 28.656 1.00 0.00 H new ATOM 0 HG21 VAL A 3 31.297 33.568 29.648 1.00 0.00 H new ATOM 0 HG22 VAL A 3 30.099 33.368 28.347 1.00 0.00 H new ATOM 0 HG23 VAL A 3 31.801 32.929 28.065 1.00 0.00 H new ATOM 45 N ASN A 4 33.533 35.047 25.805 1.00 0.00 N ATOM 46 CA ASN A 4 34.756 34.366 25.364 1.00 0.00 C ATOM 47 C ASN A 4 35.483 33.737 26.563 1.00 0.00 C ATOM 48 O ASN A 4 35.687 34.393 27.583 1.00 0.00 O ATOM 49 CB ASN A 4 35.699 35.346 24.645 1.00 0.00 C ATOM 50 CG ASN A 4 35.027 36.038 23.468 1.00 0.00 C ATOM 51 OD1 ASN A 4 34.554 37.163 23.572 1.00 0.00 O ATOM 52 ND2 ASN A 4 34.932 35.383 22.330 1.00 0.00 N ATOM 0 H ASN A 4 33.697 36.005 26.114 1.00 0.00 H new ATOM 0 HA ASN A 4 34.469 33.579 24.666 1.00 0.00 H new ATOM 0 HB2 ASN A 4 36.048 36.097 25.354 1.00 0.00 H new ATOM 0 HB3 ASN A 4 36.579 34.807 24.293 1.00 0.00 H new ATOM 0 HD21 ASN A 4 34.464 35.812 21.532 1.00 0.00 H new ATOM 0 HD22 ASN A 4 35.327 34.446 22.246 1.00 0.00 H new ATOM 59 N THR A 5 35.915 32.481 26.426 1.00 0.00 N ATOM 60 CA THR A 5 36.723 31.744 27.410 1.00 0.00 C ATOM 61 C THR A 5 37.841 31.036 26.683 1.00 0.00 C ATOM 62 O THR A 5 37.598 30.237 25.781 1.00 0.00 O ATOM 63 CB THR A 5 35.892 30.721 28.197 1.00 0.00 C ATOM 64 OG1 THR A 5 35.110 29.874 27.382 1.00 0.00 O ATOM 65 CG2 THR A 5 34.949 31.438 29.144 1.00 0.00 C ATOM 0 H THR A 5 35.706 31.925 25.597 1.00 0.00 H new ATOM 0 HA THR A 5 37.118 32.460 28.130 1.00 0.00 H new ATOM 0 HB THR A 5 36.617 30.105 28.729 1.00 0.00 H new ATOM 0 HG1 THR A 5 35.608 29.654 26.567 1.00 0.00 H new ATOM 0 HG21 THR A 5 34.363 30.705 29.698 1.00 0.00 H new ATOM 0 HG22 THR A 5 35.526 32.044 29.842 1.00 0.00 H new ATOM 0 HG23 THR A 5 34.279 32.081 28.573 1.00 0.00 H new ATOM 73 N GLY A 6 39.064 31.241 27.157 1.00 0.00 N ATOM 74 CA GLY A 6 40.183 30.339 26.904 1.00 0.00 C ATOM 75 C GLY A 6 40.060 29.044 27.700 1.00 0.00 C ATOM 76 O GLY A 6 40.998 28.649 28.386 1.00 0.00 O ATOM 0 H GLY A 6 39.310 32.046 27.734 1.00 0.00 H new ATOM 0 HA2 GLY A 6 40.230 30.108 25.840 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.117 30.837 27.163 1.00 0.00 H new ATOM 80 N LEU A 7 38.891 28.408 27.685 1.00 0.00 N ATOM 81 CA LEU A 7 38.701 27.081 28.263 1.00 0.00 C ATOM 82 C LEU A 7 39.151 26.003 27.252 1.00 0.00 C ATOM 83 O LEU A 7 39.478 26.350 26.109 1.00 0.00 O ATOM 84 CB LEU A 7 37.266 26.988 28.822 1.00 0.00 C ATOM 85 CG LEU A 7 37.235 27.466 30.297 1.00 0.00 C ATOM 86 CD1 LEU A 7 35.784 27.750 30.708 1.00 0.00 C ATOM 87 CD2 LEU A 7 37.830 26.434 31.281 1.00 0.00 C ATOM 0 H LEU A 7 38.046 28.800 27.270 1.00 0.00 H new ATOM 0 HA LEU A 7 39.339 26.892 29.126 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.593 27.598 28.220 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.908 25.960 28.757 1.00 0.00 H new ATOM 0 HG LEU A 7 37.849 28.365 30.350 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.759 28.086 31.745 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.369 28.526 30.065 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.193 26.840 30.607 1.00 0.00 H new ATOM 0 HD21 LEU A 7 37.779 26.828 32.296 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.261 25.506 31.223 1.00 0.00 H new ATOM 0 HD23 LEU A 7 38.870 26.239 31.019 1.00 0.00 H new ATOM 99 N PRO A 8 39.236 24.712 27.627 1.00 0.00 N ATOM 100 CA PRO A 8 39.471 23.658 26.648 1.00 0.00 C ATOM 101 C PRO A 8 38.247 23.565 25.722 1.00 0.00 C ATOM 102 O PRO A 8 37.151 23.944 26.130 1.00 0.00 O ATOM 103 CB PRO A 8 39.720 22.407 27.490 1.00 0.00 C ATOM 104 CG PRO A 8 38.826 22.630 28.700 1.00 0.00 C ATOM 105 CD PRO A 8 39.043 24.120 28.948 1.00 0.00 C ATOM 0 HA PRO A 8 40.320 23.825 25.985 1.00 0.00 H new ATOM 0 HB2 PRO A 8 39.452 21.498 26.952 1.00 0.00 H new ATOM 0 HB3 PRO A 8 40.768 22.313 27.774 1.00 0.00 H new ATOM 0 HG2 PRO A 8 37.783 22.394 28.491 1.00 0.00 H new ATOM 0 HG3 PRO A 8 39.126 22.021 29.553 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.185 24.562 29.455 1.00 0.00 H new ATOM 0 HD3 PRO A 8 39.911 24.289 29.585 1.00 0.00 H new ATOM 113 N ALA A 9 38.433 23.102 24.478 1.00 0.00 N ATOM 114 CA ALA A 9 37.460 23.238 23.374 1.00 0.00 C ATOM 115 C ALA A 9 36.011 22.801 23.688 1.00 0.00 C ATOM 116 O ALA A 9 35.058 23.316 23.095 1.00 0.00 O ATOM 117 CB ALA A 9 38.012 22.473 22.164 1.00 0.00 C ATOM 0 H ALA A 9 39.282 22.610 24.200 1.00 0.00 H new ATOM 0 HA ALA A 9 37.361 24.305 23.177 1.00 0.00 H new ATOM 0 HB1 ALA A 9 37.313 22.556 21.332 1.00 0.00 H new ATOM 0 HB2 ALA A 9 38.974 22.896 21.874 1.00 0.00 H new ATOM 0 HB3 ALA A 9 38.142 21.423 22.426 1.00 0.00 H new ATOM 123 N GLY A 10 35.832 21.893 24.652 1.00 0.00 N ATOM 124 CA GLY A 10 34.546 21.567 25.271 1.00 0.00 C ATOM 125 C GLY A 10 34.102 22.617 26.295 1.00 0.00 C ATOM 126 O GLY A 10 33.881 22.271 27.457 1.00 0.00 O ATOM 0 H GLY A 10 36.604 21.347 25.035 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.786 21.477 24.495 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.618 20.596 25.760 1.00 0.00 H new ATOM 130 N TRP A 11 33.984 23.885 25.881 1.00 0.00 N ATOM 131 CA TRP A 11 33.573 25.000 26.738 1.00 0.00 C ATOM 132 C TRP A 11 32.070 25.327 26.636 1.00 0.00 C ATOM 133 O TRP A 11 31.457 25.207 25.569 1.00 0.00 O ATOM 134 CB TRP A 11 34.449 26.239 26.452 1.00 0.00 C ATOM 135 CG TRP A 11 34.345 26.878 25.091 1.00 0.00 C ATOM 136 CD1 TRP A 11 33.244 27.469 24.570 1.00 0.00 C ATOM 137 CD2 TRP A 11 35.386 27.053 24.078 1.00 0.00 C ATOM 138 NE1 TRP A 11 33.505 27.925 23.293 1.00 0.00 N ATOM 139 CE2 TRP A 11 34.816 27.700 22.939 1.00 0.00 C ATOM 140 CE3 TRP A 11 36.761 26.744 24.008 1.00 0.00 C ATOM 141 CZ2 TRP A 11 35.557 27.990 21.785 1.00 0.00 C ATOM 142 CZ3 TRP A 11 37.518 27.037 22.858 1.00 0.00 C ATOM 143 CH2 TRP A 11 36.918 27.644 21.742 1.00 0.00 C ATOM 0 H TRP A 11 34.176 24.168 24.920 1.00 0.00 H new ATOM 0 HA TRP A 11 33.730 24.687 27.770 1.00 0.00 H new ATOM 0 HB2 TRP A 11 34.208 26.998 27.197 1.00 0.00 H new ATOM 0 HB3 TRP A 11 35.490 25.956 26.610 1.00 0.00 H new ATOM 0 HD1 TRP A 11 32.297 27.569 25.080 1.00 0.00 H new ATOM 0 HE1 TRP A 11 32.815 28.371 22.689 1.00 0.00 H new ATOM 0 HE3 TRP A 11 37.242 26.274 24.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 35.088 28.473 20.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 38.570 26.793 22.833 1.00 0.00 H new ATOM 0 HH2 TRP A 11 37.501 27.844 20.855 1.00 0.00 H new ATOM 154 N GLU A 12 31.540 25.828 27.757 1.00 0.00 N ATOM 155 CA GLU A 12 30.236 26.460 27.985 1.00 0.00 C ATOM 156 C GLU A 12 30.110 26.715 29.498 1.00 0.00 C ATOM 157 O GLU A 12 29.812 25.784 30.247 1.00 0.00 O ATOM 158 CB GLU A 12 29.051 25.614 27.463 1.00 0.00 C ATOM 159 CG GLU A 12 27.702 26.335 27.592 1.00 0.00 C ATOM 160 CD GLU A 12 27.636 27.581 26.711 1.00 0.00 C ATOM 161 OE1 GLU A 12 27.946 27.501 25.502 1.00 0.00 O ATOM 162 OE2 GLU A 12 27.244 28.665 27.197 1.00 0.00 O ATOM 0 H GLU A 12 32.076 25.797 28.625 1.00 0.00 H new ATOM 0 HA GLU A 12 30.189 27.392 27.423 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.224 25.361 26.417 1.00 0.00 H new ATOM 0 HB3 GLU A 12 29.010 24.675 28.015 1.00 0.00 H new ATOM 0 HG2 GLU A 12 26.898 25.653 27.317 1.00 0.00 H new ATOM 0 HG3 GLU A 12 27.539 26.617 28.632 1.00 0.00 H new ATOM 169 N VAL A 13 30.369 27.938 29.976 1.00 0.00 N ATOM 170 CA VAL A 13 30.231 28.234 31.422 1.00 0.00 C ATOM 171 C VAL A 13 28.763 28.216 31.849 1.00 0.00 C ATOM 172 O VAL A 13 27.972 29.077 31.455 1.00 0.00 O ATOM 173 CB VAL A 13 30.879 29.556 31.893 1.00 0.00 C ATOM 174 CG1 VAL A 13 30.803 29.728 33.418 1.00 0.00 C ATOM 175 CG2 VAL A 13 32.345 29.616 31.434 1.00 0.00 C ATOM 0 H VAL A 13 30.669 28.728 29.405 1.00 0.00 H new ATOM 0 HA VAL A 13 30.788 27.433 31.909 1.00 0.00 H new ATOM 0 HB VAL A 13 30.316 30.373 31.441 1.00 0.00 H new ATOM 0 HG11 VAL A 13 31.271 30.671 33.702 1.00 0.00 H new ATOM 0 HG12 VAL A 13 29.759 29.732 33.732 1.00 0.00 H new ATOM 0 HG13 VAL A 13 31.325 28.903 33.904 1.00 0.00 H new ATOM 0 HG21 VAL A 13 32.794 30.551 31.770 1.00 0.00 H new ATOM 0 HG22 VAL A 13 32.894 28.776 31.860 1.00 0.00 H new ATOM 0 HG23 VAL A 13 32.388 29.564 30.346 1.00 0.00 H new ATOM 185 N ARG A 14 28.448 27.258 32.719 1.00 0.00 N ATOM 186 CA ARG A 14 27.229 27.186 33.519 1.00 0.00 C ATOM 187 C ARG A 14 27.550 27.536 34.984 1.00 0.00 C ATOM 188 O ARG A 14 28.704 27.757 35.343 1.00 0.00 O ATOM 189 CB ARG A 14 26.634 25.765 33.412 1.00 0.00 C ATOM 190 CG ARG A 14 26.333 25.238 31.993 1.00 0.00 C ATOM 191 CD ARG A 14 24.964 25.641 31.433 1.00 0.00 C ATOM 192 NE ARG A 14 24.849 27.085 31.180 1.00 0.00 N ATOM 193 CZ ARG A 14 24.193 27.985 31.899 1.00 0.00 C ATOM 194 NH1 ARG A 14 23.442 27.688 32.938 1.00 0.00 N ATOM 195 NH2 ARG A 14 24.321 29.238 31.547 1.00 0.00 N ATOM 0 H ARG A 14 29.071 26.469 32.893 1.00 0.00 H new ATOM 0 HA ARG A 14 26.496 27.902 33.147 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.324 25.071 33.892 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.708 25.741 33.986 1.00 0.00 H new ATOM 0 HG2 ARG A 14 27.107 25.598 31.315 1.00 0.00 H new ATOM 0 HG3 ARG A 14 26.399 24.150 32.003 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.784 25.100 30.504 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.187 25.338 32.135 1.00 0.00 H new ATOM 0 HE ARG A 14 25.331 27.436 30.353 1.00 0.00 H new ATOM 0 HH11 ARG A 14 23.339 26.717 33.232 1.00 0.00 H new ATOM 0 HH12 ARG A 14 22.963 28.429 33.449 1.00 0.00 H new ATOM 0 HH21 ARG A 14 24.906 29.486 30.750 1.00 0.00 H new ATOM 0 HH22 ARG A 14 23.835 29.967 32.070 1.00 0.00 H new ATOM 209 N HIS A 15 26.540 27.589 35.852 1.00 0.00 N ATOM 210 CA HIS A 15 26.691 27.932 37.275 1.00 0.00 C ATOM 211 C HIS A 15 25.480 27.491 38.113 1.00 0.00 C ATOM 212 O HIS A 15 24.348 27.484 37.627 1.00 0.00 O ATOM 213 CB HIS A 15 26.955 29.443 37.441 1.00 0.00 C ATOM 214 CG HIS A 15 25.858 30.312 36.891 1.00 0.00 C ATOM 215 ND1 HIS A 15 24.826 30.900 37.631 1.00 0.00 N ATOM 216 CD2 HIS A 15 25.687 30.620 35.572 1.00 0.00 C ATOM 217 CE1 HIS A 15 24.053 31.529 36.728 1.00 0.00 C ATOM 218 NE2 HIS A 15 24.549 31.376 35.486 1.00 0.00 N ATOM 0 H HIS A 15 25.575 27.392 35.586 1.00 0.00 H new ATOM 0 HA HIS A 15 27.553 27.381 37.652 1.00 0.00 H new ATOM 0 HB2 HIS A 15 27.087 29.666 38.500 1.00 0.00 H new ATOM 0 HB3 HIS A 15 27.891 29.696 36.943 1.00 0.00 H new ATOM 0 HD2 HIS A 15 26.327 30.324 34.754 1.00 0.00 H new ATOM 0 HE1 HIS A 15 23.156 32.082 36.967 1.00 0.00 H new ATOM 0 HE2 HIS A 15 24.147 31.757 34.630 1.00 0.00 H new ATOM 226 N SER A 16 25.722 27.119 39.369 1.00 0.00 N ATOM 227 CA SER A 16 24.678 26.628 40.277 1.00 0.00 C ATOM 228 C SER A 16 23.696 27.734 40.712 1.00 0.00 C ATOM 229 O SER A 16 24.028 28.926 40.702 1.00 0.00 O ATOM 230 CB SER A 16 25.320 25.981 41.513 1.00 0.00 C ATOM 231 OG SER A 16 26.359 25.070 41.172 1.00 0.00 O ATOM 0 H SER A 16 26.650 27.149 39.790 1.00 0.00 H new ATOM 0 HA SER A 16 24.099 25.887 39.726 1.00 0.00 H new ATOM 0 HB2 SER A 16 25.722 26.761 42.160 1.00 0.00 H new ATOM 0 HB3 SER A 16 24.554 25.457 42.084 1.00 0.00 H new ATOM 0 HG SER A 16 26.738 24.685 41.990 1.00 0.00 H new ATOM 237 N ASN A 17 22.483 27.348 41.116 1.00 0.00 N ATOM 238 CA ASN A 17 21.402 28.270 41.493 1.00 0.00 C ATOM 239 C ASN A 17 21.761 29.144 42.714 1.00 0.00 C ATOM 240 O ASN A 17 21.555 30.357 42.694 1.00 0.00 O ATOM 241 CB ASN A 17 20.119 27.466 41.770 1.00 0.00 C ATOM 242 CG ASN A 17 19.339 27.097 40.510 1.00 0.00 C ATOM 243 OD1 ASN A 17 18.218 27.546 40.305 1.00 0.00 O ATOM 244 ND2 ASN A 17 19.876 26.262 39.644 1.00 0.00 N ATOM 0 H ASN A 17 22.217 26.366 41.193 1.00 0.00 H new ATOM 0 HA ASN A 17 21.245 28.952 40.658 1.00 0.00 H new ATOM 0 HB2 ASN A 17 20.382 26.553 42.304 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.473 28.046 42.429 1.00 0.00 H new ATOM 0 HD21 ASN A 17 19.359 25.992 38.807 1.00 0.00 H new ATOM 0 HD22 ASN A 17 20.809 25.885 39.810 1.00 0.00 H new ATOM 251 N SER A 18 22.313 28.548 43.769 1.00 0.00 N ATOM 252 CA SER A 18 22.538 29.188 45.079 1.00 0.00 C ATOM 253 C SER A 18 23.978 28.998 45.602 1.00 0.00 C ATOM 254 O SER A 18 24.497 29.839 46.345 1.00 0.00 O ATOM 255 CB SER A 18 21.564 28.561 46.091 1.00 0.00 C ATOM 256 OG SER A 18 20.227 28.482 45.597 1.00 0.00 O ATOM 0 H SER A 18 22.628 27.578 43.743 1.00 0.00 H new ATOM 0 HA SER A 18 22.375 30.259 44.958 1.00 0.00 H new ATOM 0 HB2 SER A 18 21.910 27.560 46.350 1.00 0.00 H new ATOM 0 HB3 SER A 18 21.573 29.149 47.009 1.00 0.00 H new ATOM 0 HG SER A 18 19.650 28.075 46.277 1.00 0.00 H new ATOM 262 N LYS A 19 24.634 27.901 45.206 1.00 0.00 N ATOM 263 CA LYS A 19 26.053 27.608 45.450 1.00 0.00 C ATOM 264 C LYS A 19 26.972 28.453 44.534 1.00 0.00 C ATOM 265 O LYS A 19 26.589 28.836 43.423 1.00 0.00 O ATOM 266 CB LYS A 19 26.272 26.102 45.240 1.00 0.00 C ATOM 267 CG LYS A 19 25.495 25.191 46.207 1.00 0.00 C ATOM 268 CD LYS A 19 25.779 23.718 45.868 1.00 0.00 C ATOM 269 CE LYS A 19 24.729 22.740 46.408 1.00 0.00 C ATOM 270 NZ LYS A 19 24.655 22.717 47.887 1.00 0.00 N ATOM 0 H LYS A 19 24.170 27.159 44.683 1.00 0.00 H new ATOM 0 HA LYS A 19 26.316 27.877 46.473 1.00 0.00 H new ATOM 0 HB2 LYS A 19 25.989 25.848 44.219 1.00 0.00 H new ATOM 0 HB3 LYS A 19 27.336 25.888 45.339 1.00 0.00 H new ATOM 0 HG2 LYS A 19 25.788 25.401 47.236 1.00 0.00 H new ATOM 0 HG3 LYS A 19 24.426 25.392 46.133 1.00 0.00 H new ATOM 0 HD2 LYS A 19 25.838 23.610 44.785 1.00 0.00 H new ATOM 0 HD3 LYS A 19 26.755 23.445 46.269 1.00 0.00 H new ATOM 0 HE2 LYS A 19 23.752 23.009 46.006 1.00 0.00 H new ATOM 0 HE3 LYS A 19 24.957 21.737 46.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 23.928 22.037 48.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 25.577 22.433 48.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 24.409 23.665 48.237 1.00 0.00 H new ATOM 284 N ASN A 20 28.182 28.789 44.992 1.00 0.00 N ATOM 285 CA ASN A 20 28.883 29.993 44.510 1.00 0.00 C ATOM 286 C ASN A 20 29.919 29.837 43.372 1.00 0.00 C ATOM 287 O ASN A 20 30.414 30.865 42.901 1.00 0.00 O ATOM 288 CB ASN A 20 29.503 30.719 45.713 1.00 0.00 C ATOM 289 CG ASN A 20 28.473 31.167 46.745 1.00 0.00 C ATOM 290 OD1 ASN A 20 28.636 30.932 47.934 1.00 0.00 O ATOM 291 ND2 ASN A 20 27.392 31.812 46.351 1.00 0.00 N ATOM 0 H ASN A 20 28.697 28.252 45.690 1.00 0.00 H new ATOM 0 HA ASN A 20 28.102 30.574 44.021 1.00 0.00 H new ATOM 0 HB2 ASN A 20 30.225 30.059 46.194 1.00 0.00 H new ATOM 0 HB3 ASN A 20 30.054 31.590 45.358 1.00 0.00 H new ATOM 0 HD21 ASN A 20 26.699 32.111 47.036 1.00 0.00 H new ATOM 0 HD22 ASN A 20 27.250 32.011 45.361 1.00 0.00 H new ATOM 298 N LEU A 21 30.261 28.625 42.915 1.00 0.00 N ATOM 299 CA LEU A 21 31.202 28.392 41.795 1.00 0.00 C ATOM 300 C LEU A 21 30.469 28.093 40.460 1.00 0.00 C ATOM 301 O LEU A 21 29.314 27.645 40.494 1.00 0.00 O ATOM 302 CB LEU A 21 32.168 27.238 42.165 1.00 0.00 C ATOM 303 CG LEU A 21 33.429 27.610 42.982 1.00 0.00 C ATOM 304 CD1 LEU A 21 34.459 28.396 42.159 1.00 0.00 C ATOM 305 CD2 LEU A 21 33.115 28.384 44.269 1.00 0.00 C ATOM 0 H LEU A 21 29.890 27.762 43.314 1.00 0.00 H new ATOM 0 HA LEU A 21 31.771 29.308 41.637 1.00 0.00 H new ATOM 0 HB2 LEU A 21 31.606 26.494 42.730 1.00 0.00 H new ATOM 0 HB3 LEU A 21 32.492 26.759 41.241 1.00 0.00 H new ATOM 0 HG LEU A 21 33.860 26.649 43.261 1.00 0.00 H new ATOM 0 HD11 LEU A 21 35.322 28.629 42.783 1.00 0.00 H new ATOM 0 HD12 LEU A 21 34.779 27.796 41.307 1.00 0.00 H new ATOM 0 HD13 LEU A 21 34.009 29.322 41.801 1.00 0.00 H new ATOM 0 HD21 LEU A 21 34.044 28.612 44.792 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.602 29.313 44.019 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.476 27.778 44.911 1.00 0.00 H new ATOM 317 N PRO A 22 31.123 28.298 39.294 1.00 0.00 N ATOM 318 CA PRO A 22 30.634 27.848 37.992 1.00 0.00 C ATOM 319 C PRO A 22 30.874 26.340 37.806 1.00 0.00 C ATOM 320 O PRO A 22 31.547 25.693 38.610 1.00 0.00 O ATOM 321 CB PRO A 22 31.420 28.675 36.960 1.00 0.00 C ATOM 322 CG PRO A 22 32.781 28.822 37.641 1.00 0.00 C ATOM 323 CD PRO A 22 32.430 28.927 39.129 1.00 0.00 C ATOM 0 HA PRO A 22 29.559 27.993 37.886 1.00 0.00 H new ATOM 0 HB2 PRO A 22 31.497 28.164 36.000 1.00 0.00 H new ATOM 0 HB3 PRO A 22 30.952 29.641 36.770 1.00 0.00 H new ATOM 0 HG2 PRO A 22 33.424 27.965 37.440 1.00 0.00 H new ATOM 0 HG3 PRO A 22 33.311 29.708 37.291 1.00 0.00 H new ATOM 0 HD2 PRO A 22 33.181 28.427 39.741 1.00 0.00 H new ATOM 0 HD3 PRO A 22 32.402 29.969 39.448 1.00 0.00 H new ATOM 331 N TYR A 23 30.374 25.797 36.695 1.00 0.00 N ATOM 332 CA TYR A 23 30.834 24.525 36.127 1.00 0.00 C ATOM 333 C TYR A 23 30.848 24.602 34.593 1.00 0.00 C ATOM 334 O TYR A 23 29.935 25.144 33.973 1.00 0.00 O ATOM 335 CB TYR A 23 30.005 23.337 36.651 1.00 0.00 C ATOM 336 CG TYR A 23 28.645 23.115 36.007 1.00 0.00 C ATOM 337 CD1 TYR A 23 28.532 22.275 34.880 1.00 0.00 C ATOM 338 CD2 TYR A 23 27.488 23.704 36.555 1.00 0.00 C ATOM 339 CE1 TYR A 23 27.274 22.018 34.303 1.00 0.00 C ATOM 340 CE2 TYR A 23 26.224 23.449 35.986 1.00 0.00 C ATOM 341 CZ TYR A 23 26.114 22.605 34.856 1.00 0.00 C ATOM 342 OH TYR A 23 24.889 22.341 34.324 1.00 0.00 O ATOM 0 H TYR A 23 29.627 26.234 36.155 1.00 0.00 H new ATOM 0 HA TYR A 23 31.858 24.348 36.457 1.00 0.00 H new ATOM 0 HB2 TYR A 23 30.594 22.429 36.523 1.00 0.00 H new ATOM 0 HB3 TYR A 23 29.856 23.472 37.722 1.00 0.00 H new ATOM 0 HD1 TYR A 23 29.418 21.825 34.456 1.00 0.00 H new ATOM 0 HD2 TYR A 23 27.570 24.353 37.414 1.00 0.00 H new ATOM 0 HE1 TYR A 23 27.196 21.374 33.440 1.00 0.00 H new ATOM 0 HE2 TYR A 23 25.339 23.898 36.413 1.00 0.00 H new ATOM 0 HH TYR A 23 24.202 22.826 34.827 1.00 0.00 H new ATOM 352 N TYR A 24 31.896 24.081 33.957 1.00 0.00 N ATOM 353 CA TYR A 24 32.131 24.251 32.522 1.00 0.00 C ATOM 354 C TYR A 24 31.653 23.011 31.751 1.00 0.00 C ATOM 355 O TYR A 24 32.312 21.966 31.748 1.00 0.00 O ATOM 356 CB TYR A 24 33.620 24.557 32.294 1.00 0.00 C ATOM 357 CG TYR A 24 34.235 25.621 33.198 1.00 0.00 C ATOM 358 CD1 TYR A 24 33.527 26.802 33.492 1.00 0.00 C ATOM 359 CD2 TYR A 24 35.529 25.444 33.733 1.00 0.00 C ATOM 360 CE1 TYR A 24 34.114 27.816 34.270 1.00 0.00 C ATOM 361 CE2 TYR A 24 36.120 26.450 34.523 1.00 0.00 C ATOM 362 CZ TYR A 24 35.420 27.650 34.776 1.00 0.00 C ATOM 363 OH TYR A 24 36.004 28.655 35.482 1.00 0.00 O ATOM 0 H TYR A 24 32.612 23.525 34.425 1.00 0.00 H new ATOM 0 HA TYR A 24 31.554 25.092 32.139 1.00 0.00 H new ATOM 0 HB2 TYR A 24 34.183 23.632 32.421 1.00 0.00 H new ATOM 0 HB3 TYR A 24 33.751 24.870 31.258 1.00 0.00 H new ATOM 0 HD1 TYR A 24 32.523 26.931 33.116 1.00 0.00 H new ATOM 0 HD2 TYR A 24 36.070 24.531 33.535 1.00 0.00 H new ATOM 0 HE1 TYR A 24 33.565 28.722 34.480 1.00 0.00 H new ATOM 0 HE2 TYR A 24 37.108 26.303 34.935 1.00 0.00 H new ATOM 0 HH TYR A 24 36.903 28.380 35.760 1.00 0.00 H new ATOM 373 N PHE A 25 30.490 23.108 31.109 1.00 0.00 N ATOM 374 CA PHE A 25 29.856 22.013 30.378 1.00 0.00 C ATOM 375 C PHE A 25 30.553 21.763 29.035 1.00 0.00 C ATOM 376 O PHE A 25 30.761 22.698 28.263 1.00 0.00 O ATOM 377 CB PHE A 25 28.377 22.374 30.187 1.00 0.00 C ATOM 378 CG PHE A 25 27.557 21.361 29.411 1.00 0.00 C ATOM 379 CD1 PHE A 25 27.096 20.201 30.059 1.00 0.00 C ATOM 380 CD2 PHE A 25 27.216 21.589 28.062 1.00 0.00 C ATOM 381 CE1 PHE A 25 26.253 19.302 29.383 1.00 0.00 C ATOM 382 CE2 PHE A 25 26.376 20.686 27.386 1.00 0.00 C ATOM 383 CZ PHE A 25 25.893 19.544 28.047 1.00 0.00 C ATOM 0 H PHE A 25 29.949 23.972 31.082 1.00 0.00 H new ATOM 0 HA PHE A 25 29.941 21.085 30.943 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.923 22.508 31.169 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.318 23.334 29.674 1.00 0.00 H new ATOM 0 HD1 PHE A 25 27.390 20.000 31.079 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.600 22.457 27.548 1.00 0.00 H new ATOM 0 HE1 PHE A 25 25.882 18.424 29.891 1.00 0.00 H new ATOM 0 HE2 PHE A 25 26.102 20.871 26.358 1.00 0.00 H new ATOM 0 HZ PHE A 25 25.245 18.853 27.528 1.00 0.00 H new ATOM 393 N ASN A 26 30.882 20.504 28.730 1.00 0.00 N ATOM 394 CA ASN A 26 31.291 20.118 27.380 1.00 0.00 C ATOM 395 C ASN A 26 30.043 19.757 26.542 1.00 0.00 C ATOM 396 O ASN A 26 29.309 18.848 26.936 1.00 0.00 O ATOM 397 CB ASN A 26 32.311 18.968 27.446 1.00 0.00 C ATOM 398 CG ASN A 26 32.908 18.624 26.082 1.00 0.00 C ATOM 399 OD1 ASN A 26 32.380 18.955 25.030 1.00 0.00 O ATOM 400 ND2 ASN A 26 34.062 17.995 26.050 1.00 0.00 N ATOM 0 H ASN A 26 30.872 19.736 29.401 1.00 0.00 H new ATOM 0 HA ASN A 26 31.785 20.954 26.886 1.00 0.00 H new ATOM 0 HB2 ASN A 26 33.114 19.240 28.130 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.827 18.083 27.859 1.00 0.00 H new ATOM 0 HD21 ASN A 26 34.506 17.789 25.155 1.00 0.00 H new ATOM 0 HD22 ASN A 26 34.514 17.713 26.920 1.00 0.00 H new ATOM 407 N PRO A 27 29.781 20.436 25.406 1.00 0.00 N ATOM 408 CA PRO A 27 28.685 20.078 24.511 1.00 0.00 C ATOM 409 C PRO A 27 28.989 18.846 23.644 1.00 0.00 C ATOM 410 O PRO A 27 28.075 18.074 23.370 1.00 0.00 O ATOM 411 CB PRO A 27 28.455 21.317 23.642 1.00 0.00 C ATOM 412 CG PRO A 27 29.819 21.999 23.608 1.00 0.00 C ATOM 413 CD PRO A 27 30.410 21.678 24.976 1.00 0.00 C ATOM 0 HA PRO A 27 27.802 19.798 25.085 1.00 0.00 H new ATOM 0 HB2 PRO A 27 28.119 21.046 22.641 1.00 0.00 H new ATOM 0 HB3 PRO A 27 27.693 21.969 24.069 1.00 0.00 H new ATOM 0 HG2 PRO A 27 30.441 21.612 22.801 1.00 0.00 H new ATOM 0 HG3 PRO A 27 29.727 23.074 23.453 1.00 0.00 H new ATOM 0 HD2 PRO A 27 31.493 21.566 24.916 1.00 0.00 H new ATOM 0 HD3 PRO A 27 30.211 22.482 25.685 1.00 0.00 H new ATOM 421 N ALA A 28 30.239 18.646 23.206 1.00 0.00 N ATOM 422 CA ALA A 28 30.620 17.642 22.204 1.00 0.00 C ATOM 423 C ALA A 28 31.007 16.263 22.786 1.00 0.00 C ATOM 424 O ALA A 28 31.049 15.265 22.054 1.00 0.00 O ATOM 425 CB ALA A 28 31.769 18.233 21.377 1.00 0.00 C ATOM 0 H ALA A 28 31.032 19.190 23.546 1.00 0.00 H new ATOM 0 HA ALA A 28 29.745 17.433 21.589 1.00 0.00 H new ATOM 0 HB1 ALA A 28 32.080 17.513 20.620 1.00 0.00 H new ATOM 0 HB2 ALA A 28 31.434 19.149 20.891 1.00 0.00 H new ATOM 0 HB3 ALA A 28 32.611 18.457 22.032 1.00 0.00 H new ATOM 431 N THR A 29 31.276 16.202 24.095 1.00 0.00 N ATOM 432 CA THR A 29 31.491 14.981 24.890 1.00 0.00 C ATOM 433 C THR A 29 30.648 15.109 26.147 1.00 0.00 C ATOM 434 O THR A 29 30.646 16.180 26.749 1.00 0.00 O ATOM 435 CB THR A 29 32.963 14.829 25.304 1.00 0.00 C ATOM 436 OG1 THR A 29 33.787 14.914 24.165 1.00 0.00 O ATOM 437 CG2 THR A 29 33.234 13.482 25.976 1.00 0.00 C ATOM 0 H THR A 29 31.354 17.047 24.661 1.00 0.00 H new ATOM 0 HA THR A 29 31.216 14.110 24.294 1.00 0.00 H new ATOM 0 HB THR A 29 33.180 15.629 26.012 1.00 0.00 H new ATOM 0 HG1 THR A 29 34.725 14.819 24.432 1.00 0.00 H new ATOM 0 HG21 THR A 29 34.287 13.418 26.252 1.00 0.00 H new ATOM 0 HG22 THR A 29 32.618 13.391 26.871 1.00 0.00 H new ATOM 0 HG23 THR A 29 32.990 12.675 25.285 1.00 0.00 H new ATOM 445 N ARG A 30 29.989 14.032 26.587 1.00 0.00 N ATOM 446 CA ARG A 30 29.233 14.026 27.845 1.00 0.00 C ATOM 447 C ARG A 30 30.191 14.077 29.047 1.00 0.00 C ATOM 448 O ARG A 30 30.614 13.046 29.569 1.00 0.00 O ATOM 449 CB ARG A 30 28.264 12.831 27.898 1.00 0.00 C ATOM 450 CG ARG A 30 27.225 12.897 26.762 1.00 0.00 C ATOM 451 CD ARG A 30 26.099 11.869 26.927 1.00 0.00 C ATOM 452 NE ARG A 30 25.195 12.246 28.027 1.00 0.00 N ATOM 453 CZ ARG A 30 24.988 11.616 29.175 1.00 0.00 C ATOM 454 NH1 ARG A 30 25.573 10.477 29.480 1.00 0.00 N ATOM 455 NH2 ARG A 30 24.164 12.169 30.037 1.00 0.00 N ATOM 0 H ARG A 30 29.964 13.144 26.085 1.00 0.00 H new ATOM 0 HA ARG A 30 28.616 14.923 27.895 1.00 0.00 H new ATOM 0 HB2 ARG A 30 28.827 11.901 27.824 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.752 12.818 28.860 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.795 13.898 26.727 1.00 0.00 H new ATOM 0 HG3 ARG A 30 27.725 12.731 25.808 1.00 0.00 H new ATOM 0 HD2 ARG A 30 25.534 11.791 25.998 1.00 0.00 H new ATOM 0 HD3 ARG A 30 26.526 10.886 27.124 1.00 0.00 H new ATOM 0 HE ARG A 30 24.659 13.102 27.888 1.00 0.00 H new ATOM 0 HH11 ARG A 30 26.217 10.042 28.820 1.00 0.00 H new ATOM 0 HH12 ARG A 30 25.382 10.030 30.377 1.00 0.00 H new ATOM 0 HH21 ARG A 30 23.709 13.054 29.812 1.00 0.00 H new ATOM 0 HH22 ARG A 30 23.980 11.714 30.931 1.00 0.00 H new ATOM 469 N GLU A 31 30.562 15.286 29.469 1.00 0.00 N ATOM 470 CA GLU A 31 31.583 15.594 30.479 1.00 0.00 C ATOM 471 C GLU A 31 31.491 17.063 30.956 1.00 0.00 C ATOM 472 O GLU A 31 30.784 17.894 30.376 1.00 0.00 O ATOM 473 CB GLU A 31 32.991 15.281 29.916 1.00 0.00 C ATOM 474 CG GLU A 31 33.999 14.816 30.980 1.00 0.00 C ATOM 475 CD GLU A 31 33.741 13.378 31.424 1.00 0.00 C ATOM 476 OE1 GLU A 31 34.197 12.436 30.738 1.00 0.00 O ATOM 477 OE2 GLU A 31 33.113 13.178 32.493 1.00 0.00 O ATOM 0 H GLU A 31 30.133 16.131 29.093 1.00 0.00 H new ATOM 0 HA GLU A 31 31.402 14.964 31.350 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.902 14.509 29.152 1.00 0.00 H new ATOM 0 HB3 GLU A 31 33.381 16.172 29.425 1.00 0.00 H new ATOM 0 HG2 GLU A 31 35.010 14.896 30.581 1.00 0.00 H new ATOM 0 HG3 GLU A 31 33.944 15.478 31.845 1.00 0.00 H new ATOM 484 N SER A 32 32.235 17.407 32.007 1.00 0.00 N ATOM 485 CA SER A 32 32.323 18.760 32.570 1.00 0.00 C ATOM 486 C SER A 32 33.670 19.005 33.280 1.00 0.00 C ATOM 487 O SER A 32 34.334 18.058 33.719 1.00 0.00 O ATOM 488 CB SER A 32 31.131 19.021 33.512 1.00 0.00 C ATOM 489 OG SER A 32 31.083 18.101 34.598 1.00 0.00 O ATOM 0 H SER A 32 32.813 16.732 32.508 1.00 0.00 H new ATOM 0 HA SER A 32 32.275 19.471 31.745 1.00 0.00 H new ATOM 0 HB2 SER A 32 31.196 20.036 33.903 1.00 0.00 H new ATOM 0 HB3 SER A 32 30.203 18.957 32.944 1.00 0.00 H new ATOM 0 HG SER A 32 30.313 18.307 35.168 1.00 0.00 H new ATOM 495 N ARG A 33 34.073 20.278 33.386 1.00 0.00 N ATOM 496 CA ARG A 33 35.334 20.756 33.975 1.00 0.00 C ATOM 497 C ARG A 33 35.023 21.784 35.080 1.00 0.00 C ATOM 498 O ARG A 33 34.036 22.510 34.978 1.00 0.00 O ATOM 499 CB ARG A 33 36.178 21.386 32.848 1.00 0.00 C ATOM 500 CG ARG A 33 37.698 21.388 33.051 1.00 0.00 C ATOM 501 CD ARG A 33 38.367 20.017 32.854 1.00 0.00 C ATOM 502 NE ARG A 33 38.145 19.471 31.498 1.00 0.00 N ATOM 503 CZ ARG A 33 39.042 19.053 30.610 1.00 0.00 C ATOM 504 NH1 ARG A 33 40.334 19.015 30.847 1.00 0.00 N ATOM 505 NH2 ARG A 33 38.639 18.647 29.427 1.00 0.00 N ATOM 0 H ARG A 33 33.496 21.047 33.044 1.00 0.00 H new ATOM 0 HA ARG A 33 35.893 19.936 34.427 1.00 0.00 H new ATOM 0 HB2 ARG A 33 35.958 20.857 31.921 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.851 22.417 32.712 1.00 0.00 H new ATOM 0 HG2 ARG A 33 38.144 22.100 32.356 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.917 21.745 34.057 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.438 20.109 33.035 1.00 0.00 H new ATOM 0 HD3 ARG A 33 37.978 19.316 33.593 1.00 0.00 H new ATOM 0 HE ARG A 33 37.171 19.406 31.204 1.00 0.00 H new ATOM 0 HH11 ARG A 33 40.696 19.316 31.752 1.00 0.00 H new ATOM 0 HH12 ARG A 33 40.975 18.684 30.126 1.00 0.00 H new ATOM 0 HH21 ARG A 33 37.645 18.654 29.196 1.00 0.00 H new ATOM 0 HH22 ARG A 33 39.320 18.325 28.739 1.00 0.00 H new ATOM 519 N TRP A 34 35.839 21.847 36.134 1.00 0.00 N ATOM 520 CA TRP A 34 35.449 22.470 37.418 1.00 0.00 C ATOM 521 C TRP A 34 36.252 23.750 37.743 1.00 0.00 C ATOM 522 O TRP A 34 35.728 24.710 38.303 1.00 0.00 O ATOM 523 CB TRP A 34 35.606 21.396 38.520 1.00 0.00 C ATOM 524 CG TRP A 34 35.384 19.975 38.066 1.00 0.00 C ATOM 525 CD1 TRP A 34 34.200 19.326 38.004 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.356 19.073 37.449 1.00 0.00 C ATOM 527 NE1 TRP A 34 34.376 18.089 37.409 1.00 0.00 N ATOM 528 CE2 TRP A 34 35.679 17.906 36.990 1.00 0.00 C ATOM 529 CE3 TRP A 34 37.732 19.172 37.160 1.00 0.00 C ATOM 530 CZ2 TRP A 34 36.336 16.899 36.264 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.402 18.180 36.420 1.00 0.00 C ATOM 532 CH2 TRP A 34 37.705 17.044 35.971 1.00 0.00 C ATOM 0 H TRP A 34 36.787 21.471 36.130 1.00 0.00 H new ATOM 0 HA TRP A 34 34.414 22.806 37.354 1.00 0.00 H new ATOM 0 HB2 TRP A 34 36.608 21.474 38.941 1.00 0.00 H new ATOM 0 HB3 TRP A 34 34.904 21.618 39.324 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.259 19.714 38.364 1.00 0.00 H new ATOM 0 HE1 TRP A 34 33.635 17.398 37.294 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.285 20.029 37.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 35.797 16.023 35.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.453 18.291 36.197 1.00 0.00 H new ATOM 0 HH2 TRP A 34 38.220 16.284 35.402 1.00 0.00 H new ATOM 543 N GLU A 35 37.525 23.759 37.348 1.00 0.00 N ATOM 544 CA GLU A 35 38.537 24.818 37.482 1.00 0.00 C ATOM 545 C GLU A 35 39.413 24.770 36.199 1.00 0.00 C ATOM 546 O GLU A 35 39.291 23.791 35.452 1.00 0.00 O ATOM 547 CB GLU A 35 39.374 24.536 38.753 1.00 0.00 C ATOM 548 CG GLU A 35 38.673 24.814 40.100 1.00 0.00 C ATOM 549 CD GLU A 35 38.731 26.273 40.562 1.00 0.00 C ATOM 550 OE1 GLU A 35 38.554 27.196 39.732 1.00 0.00 O ATOM 551 OE2 GLU A 35 38.924 26.527 41.777 1.00 0.00 O ATOM 0 H GLU A 35 37.917 22.943 36.878 1.00 0.00 H new ATOM 0 HA GLU A 35 38.095 25.809 37.583 1.00 0.00 H new ATOM 0 HB2 GLU A 35 39.683 23.491 38.736 1.00 0.00 H new ATOM 0 HB3 GLU A 35 40.282 25.138 38.707 1.00 0.00 H new ATOM 0 HG2 GLU A 35 37.628 24.514 40.019 1.00 0.00 H new ATOM 0 HG3 GLU A 35 39.127 24.186 40.867 1.00 0.00 H new ATOM 558 N PRO A 36 40.268 25.768 35.887 1.00 0.00 N ATOM 559 CA PRO A 36 41.046 25.797 34.640 1.00 0.00 C ATOM 560 C PRO A 36 42.083 24.645 34.544 1.00 0.00 C ATOM 561 O PRO A 36 43.000 24.603 35.368 1.00 0.00 O ATOM 562 CB PRO A 36 41.703 27.185 34.591 1.00 0.00 C ATOM 563 CG PRO A 36 41.679 27.669 36.039 1.00 0.00 C ATOM 564 CD PRO A 36 40.413 27.030 36.598 1.00 0.00 C ATOM 0 HA PRO A 36 40.399 25.635 33.778 1.00 0.00 H new ATOM 0 HB2 PRO A 36 42.722 27.129 34.208 1.00 0.00 H new ATOM 0 HB3 PRO A 36 41.153 27.862 33.937 1.00 0.00 H new ATOM 0 HG2 PRO A 36 42.566 27.349 36.585 1.00 0.00 H new ATOM 0 HG3 PRO A 36 41.642 28.757 36.100 1.00 0.00 H new ATOM 0 HD2 PRO A 36 40.497 26.868 37.673 1.00 0.00 H new ATOM 0 HD3 PRO A 36 39.546 27.672 36.439 1.00 0.00 H new ATOM 572 N PRO A 37 41.965 23.719 33.559 1.00 0.00 N ATOM 573 CA PRO A 37 42.819 22.527 33.398 1.00 0.00 C ATOM 574 C PRO A 37 44.098 22.778 32.579 1.00 0.00 C ATOM 575 O PRO A 37 44.316 23.877 32.079 1.00 0.00 O ATOM 576 CB PRO A 37 41.922 21.530 32.668 1.00 0.00 C ATOM 577 CG PRO A 37 41.115 22.427 31.738 1.00 0.00 C ATOM 578 CD PRO A 37 40.841 23.625 32.631 1.00 0.00 C ATOM 0 HA PRO A 37 43.180 22.185 34.368 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.503 20.791 32.115 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.281 20.981 33.358 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.676 22.702 30.845 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.196 21.947 31.402 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.749 24.536 32.040 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.902 23.499 33.171 1.00 0.00 H new ATOM 586 N ALA A 38 44.936 21.751 32.382 1.00 0.00 N ATOM 587 CA ALA A 38 46.135 21.838 31.535 1.00 0.00 C ATOM 588 C ALA A 38 45.843 22.059 30.034 1.00 0.00 C ATOM 589 O ALA A 38 46.650 22.695 29.356 1.00 0.00 O ATOM 590 CB ALA A 38 46.982 20.578 31.750 1.00 0.00 C ATOM 0 H ALA A 38 44.802 20.833 32.807 1.00 0.00 H new ATOM 0 HA ALA A 38 46.681 22.729 31.843 1.00 0.00 H new ATOM 0 HB1 ALA A 38 47.875 20.629 31.127 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.274 20.510 32.798 1.00 0.00 H new ATOM 0 HB3 ALA A 38 46.400 19.698 31.478 1.00 0.00 H new ATOM 596 N ASP A 39 44.713 21.586 29.496 1.00 0.00 N ATOM 597 CA ASP A 39 44.303 21.773 28.083 1.00 0.00 C ATOM 598 C ASP A 39 43.746 23.188 27.766 1.00 0.00 C ATOM 599 O ASP A 39 43.342 23.478 26.635 1.00 0.00 O ATOM 600 CB ASP A 39 43.285 20.673 27.726 1.00 0.00 C ATOM 601 CG ASP A 39 42.974 20.597 26.227 1.00 0.00 C ATOM 602 OD1 ASP A 39 43.922 20.450 25.419 1.00 0.00 O ATOM 603 OD2 ASP A 39 41.783 20.688 25.852 1.00 0.00 O ATOM 0 H ASP A 39 44.036 21.048 30.037 1.00 0.00 H new ATOM 0 HA ASP A 39 45.195 21.688 27.462 1.00 0.00 H new ATOM 0 HB2 ASP A 39 43.670 19.709 28.059 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.360 20.853 28.273 1.00 0.00 H new ATOM 608 N THR A 40 43.697 24.066 28.775 1.00 0.00 N ATOM 609 CA THR A 40 43.080 25.399 28.718 1.00 0.00 C ATOM 610 C THR A 40 44.024 26.455 28.146 1.00 0.00 C ATOM 611 O THR A 40 45.223 26.220 27.993 1.00 0.00 O ATOM 612 CB THR A 40 42.559 25.726 30.119 1.00 0.00 C ATOM 613 OG1 THR A 40 41.356 26.424 30.035 1.00 0.00 O ATOM 614 CG2 THR A 40 43.488 26.553 31.001 1.00 0.00 C ATOM 0 H THR A 40 44.101 23.861 29.689 1.00 0.00 H new ATOM 0 HA THR A 40 42.242 25.401 28.021 1.00 0.00 H new ATOM 0 HB THR A 40 42.457 24.747 30.588 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.490 27.245 29.517 1.00 0.00 H new ATOM 0 HG21 THR A 40 43.015 26.723 31.968 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.426 26.017 31.145 1.00 0.00 H new ATOM 0 HG23 THR A 40 43.688 27.511 30.521 1.00 0.00 H new ATOM 622 N ASP A 41 43.485 27.640 27.864 1.00 0.00 N ATOM 623 CA ASP A 41 44.136 28.739 27.157 1.00 0.00 C ATOM 624 C ASP A 41 44.078 30.030 27.981 1.00 0.00 C ATOM 625 O ASP A 41 43.546 31.045 27.546 1.00 0.00 O ATOM 626 CB ASP A 41 43.466 28.933 25.793 1.00 0.00 C ATOM 627 CG ASP A 41 44.284 29.808 24.835 1.00 0.00 C ATOM 628 OD1 ASP A 41 45.530 29.896 24.979 1.00 0.00 O ATOM 629 OD2 ASP A 41 43.659 30.356 23.893 1.00 0.00 O ATOM 0 H ASP A 41 42.530 27.871 28.138 1.00 0.00 H new ATOM 0 HA ASP A 41 45.187 28.492 27.007 1.00 0.00 H new ATOM 0 HB2 ASP A 41 43.303 27.958 25.334 1.00 0.00 H new ATOM 0 HB3 ASP A 41 42.485 29.385 25.939 1.00 0.00 H new ATOM 634 N MET A 42 44.600 29.963 29.203 1.00 0.00 N ATOM 635 CA MET A 42 44.838 31.063 30.137 1.00 0.00 C ATOM 636 C MET A 42 45.042 32.451 29.522 1.00 0.00 C ATOM 637 O MET A 42 44.410 33.372 30.015 1.00 0.00 O ATOM 638 CB MET A 42 45.972 30.690 31.095 1.00 0.00 C ATOM 639 CG MET A 42 45.403 29.746 32.162 1.00 0.00 C ATOM 640 SD MET A 42 46.633 29.161 33.355 1.00 0.00 S ATOM 641 CE MET A 42 47.422 27.888 32.333 1.00 0.00 C ATOM 0 H MET A 42 44.891 29.069 29.598 1.00 0.00 H new ATOM 0 HA MET A 42 43.902 31.181 30.682 1.00 0.00 H new ATOM 0 HB2 MET A 42 46.785 30.206 30.553 1.00 0.00 H new ATOM 0 HB3 MET A 42 46.387 31.584 31.560 1.00 0.00 H new ATOM 0 HG2 MET A 42 44.606 30.259 32.699 1.00 0.00 H new ATOM 0 HG3 MET A 42 44.952 28.885 31.668 1.00 0.00 H new ATOM 0 HE1 MET A 42 48.182 27.371 32.919 1.00 0.00 H new ATOM 0 HE2 MET A 42 46.671 27.172 32.000 1.00 0.00 H new ATOM 0 HE3 MET A 42 47.888 28.355 31.465 1.00 0.00 H new ATOM 651 N GLU A 43 45.791 32.634 28.436 1.00 0.00 N ATOM 652 CA GLU A 43 45.891 33.914 27.721 1.00 0.00 C ATOM 653 C GLU A 43 44.506 34.469 27.332 1.00 0.00 C ATOM 654 O GLU A 43 44.139 35.578 27.727 1.00 0.00 O ATOM 655 CB GLU A 43 46.785 33.708 26.486 1.00 0.00 C ATOM 656 CG GLU A 43 47.082 34.998 25.714 1.00 0.00 C ATOM 657 CD GLU A 43 47.763 36.056 26.575 1.00 0.00 C ATOM 658 OE1 GLU A 43 48.732 35.726 27.297 1.00 0.00 O ATOM 659 OE2 GLU A 43 47.315 37.227 26.533 1.00 0.00 O ATOM 0 H GLU A 43 46.353 31.892 28.020 1.00 0.00 H new ATOM 0 HA GLU A 43 46.337 34.660 28.379 1.00 0.00 H new ATOM 0 HB2 GLU A 43 47.727 33.260 26.802 1.00 0.00 H new ATOM 0 HB3 GLU A 43 46.303 32.997 25.815 1.00 0.00 H new ATOM 0 HG2 GLU A 43 47.718 34.767 24.859 1.00 0.00 H new ATOM 0 HG3 GLU A 43 46.150 35.402 25.318 1.00 0.00 H new ATOM 666 N THR A 44 43.702 33.658 26.640 1.00 0.00 N ATOM 667 CA THR A 44 42.297 33.913 26.284 1.00 0.00 C ATOM 668 C THR A 44 41.362 33.816 27.500 1.00 0.00 C ATOM 669 O THR A 44 40.186 34.156 27.400 1.00 0.00 O ATOM 670 CB THR A 44 41.882 32.940 25.162 1.00 0.00 C ATOM 671 OG1 THR A 44 42.871 32.950 24.152 1.00 0.00 O ATOM 672 CG2 THR A 44 40.548 33.318 24.503 1.00 0.00 C ATOM 0 H THR A 44 44.028 32.756 26.293 1.00 0.00 H new ATOM 0 HA THR A 44 42.206 34.938 25.923 1.00 0.00 H new ATOM 0 HB THR A 44 41.771 31.959 25.624 1.00 0.00 H new ATOM 0 HG1 THR A 44 43.167 32.033 23.975 1.00 0.00 H new ATOM 0 HG21 THR A 44 40.311 32.596 23.722 1.00 0.00 H new ATOM 0 HG22 THR A 44 39.757 33.314 25.253 1.00 0.00 H new ATOM 0 HG23 THR A 44 40.628 34.313 24.065 1.00 0.00 H new ATOM 680 N LEU A 45 41.845 33.395 28.676 1.00 0.00 N ATOM 681 CA LEU A 45 41.093 33.551 29.926 1.00 0.00 C ATOM 682 C LEU A 45 41.467 34.779 30.716 1.00 0.00 C ATOM 683 O LEU A 45 40.673 35.159 31.563 1.00 0.00 O ATOM 684 CB LEU A 45 41.255 32.370 30.880 1.00 0.00 C ATOM 685 CG LEU A 45 40.510 31.139 30.409 1.00 0.00 C ATOM 686 CD1 LEU A 45 40.967 29.925 31.237 1.00 0.00 C ATOM 687 CD2 LEU A 45 38.986 31.190 30.425 1.00 0.00 C ATOM 0 H LEU A 45 42.753 32.944 28.787 1.00 0.00 H new ATOM 0 HA LEU A 45 40.064 33.628 29.574 1.00 0.00 H new ATOM 0 HB2 LEU A 45 42.314 32.133 30.983 1.00 0.00 H new ATOM 0 HB3 LEU A 45 40.894 32.653 31.869 1.00 0.00 H new ATOM 0 HG LEU A 45 40.769 31.068 29.352 1.00 0.00 H new ATOM 0 HD11 LEU A 45 40.434 29.035 30.903 1.00 0.00 H new ATOM 0 HD12 LEU A 45 42.039 29.777 31.105 1.00 0.00 H new ATOM 0 HD13 LEU A 45 40.752 30.102 32.291 1.00 0.00 H new ATOM 0 HD21 LEU A 45 38.586 30.243 30.063 1.00 0.00 H new ATOM 0 HD22 LEU A 45 38.638 31.365 31.443 1.00 0.00 H new ATOM 0 HD23 LEU A 45 38.642 31.999 29.780 1.00 0.00 H new ATOM 699 N LYS A 46 42.630 35.397 30.541 1.00 0.00 N ATOM 700 CA LYS A 46 42.996 36.473 31.459 1.00 0.00 C ATOM 701 C LYS A 46 42.062 37.684 31.241 1.00 0.00 C ATOM 702 O LYS A 46 41.542 38.269 32.192 1.00 0.00 O ATOM 703 CB LYS A 46 44.484 36.842 31.281 1.00 0.00 C ATOM 704 CG LYS A 46 45.434 36.379 32.399 1.00 0.00 C ATOM 705 CD LYS A 46 45.799 34.886 32.383 1.00 0.00 C ATOM 706 CE LYS A 46 44.721 33.916 32.904 1.00 0.00 C ATOM 707 NZ LYS A 46 44.534 34.029 34.369 1.00 0.00 N ATOM 0 H LYS A 46 43.308 35.187 29.809 1.00 0.00 H new ATOM 0 HA LYS A 46 42.869 36.139 32.489 1.00 0.00 H new ATOM 0 HB2 LYS A 46 44.832 36.420 30.338 1.00 0.00 H new ATOM 0 HB3 LYS A 46 44.561 37.926 31.192 1.00 0.00 H new ATOM 0 HG2 LYS A 46 46.354 36.960 32.334 1.00 0.00 H new ATOM 0 HG3 LYS A 46 44.976 36.613 33.360 1.00 0.00 H new ATOM 0 HD2 LYS A 46 46.047 34.605 31.359 1.00 0.00 H new ATOM 0 HD3 LYS A 46 46.701 34.748 32.979 1.00 0.00 H new ATOM 0 HE2 LYS A 46 43.776 34.120 32.401 1.00 0.00 H new ATOM 0 HE3 LYS A 46 45.001 32.893 32.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 43.800 33.360 34.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 45.429 33.809 34.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 44.241 34.998 34.608 1.00 0.00 H new ATOM 721 N MET A 47 41.740 37.916 29.962 1.00 0.00 N ATOM 722 CA MET A 47 40.670 38.773 29.430 1.00 0.00 C ATOM 723 C MET A 47 39.241 38.387 29.859 1.00 0.00 C ATOM 724 O MET A 47 38.308 39.160 29.649 1.00 0.00 O ATOM 725 CB MET A 47 40.785 38.762 27.892 1.00 0.00 C ATOM 726 CG MET A 47 40.664 37.362 27.268 1.00 0.00 C ATOM 727 SD MET A 47 40.597 37.355 25.459 1.00 0.00 S ATOM 728 CE MET A 47 38.845 37.770 25.264 1.00 0.00 C ATOM 0 H MET A 47 42.265 37.472 29.209 1.00 0.00 H new ATOM 0 HA MET A 47 40.818 39.767 29.852 1.00 0.00 H new ATOM 0 HB2 MET A 47 40.009 39.403 27.475 1.00 0.00 H new ATOM 0 HB3 MET A 47 41.744 39.195 27.606 1.00 0.00 H new ATOM 0 HG2 MET A 47 41.513 36.759 27.591 1.00 0.00 H new ATOM 0 HG3 MET A 47 39.766 36.881 27.655 1.00 0.00 H new ATOM 0 HE1 MET A 47 38.589 37.780 24.204 1.00 0.00 H new ATOM 0 HE2 MET A 47 38.236 37.026 25.777 1.00 0.00 H new ATOM 0 HE3 MET A 47 38.654 38.754 25.693 1.00 0.00 H new ATOM 738 N TYR A 48 39.052 37.197 30.433 1.00 0.00 N ATOM 739 CA TYR A 48 37.766 36.641 30.859 1.00 0.00 C ATOM 740 C TYR A 48 37.640 36.563 32.399 1.00 0.00 C ATOM 741 O TYR A 48 36.802 37.243 32.999 1.00 0.00 O ATOM 742 CB TYR A 48 37.598 35.249 30.214 1.00 0.00 C ATOM 743 CG TYR A 48 36.412 34.514 30.789 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.111 35.025 30.630 1.00 0.00 C ATOM 745 CD2 TYR A 48 36.638 33.382 31.591 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.035 34.426 31.306 1.00 0.00 C ATOM 747 CE2 TYR A 48 35.565 32.775 32.266 1.00 0.00 C ATOM 748 CZ TYR A 48 34.262 33.317 32.151 1.00 0.00 C ATOM 749 OH TYR A 48 33.229 32.780 32.853 1.00 0.00 O ATOM 0 H TYR A 48 39.829 36.564 30.623 1.00 0.00 H new ATOM 0 HA TYR A 48 36.968 37.305 30.527 1.00 0.00 H new ATOM 0 HB2 TYR A 48 37.473 35.358 29.137 1.00 0.00 H new ATOM 0 HB3 TYR A 48 38.503 34.662 30.372 1.00 0.00 H new ATOM 0 HD1 TYR A 48 34.940 35.877 29.989 1.00 0.00 H new ATOM 0 HD2 TYR A 48 37.635 32.979 31.688 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.035 34.813 31.180 1.00 0.00 H new ATOM 0 HE2 TYR A 48 35.734 31.897 32.871 1.00 0.00 H new ATOM 0 HH TYR A 48 33.553 32.023 33.385 1.00 0.00 H new ATOM 759 N MET A 49 38.474 35.726 33.028 1.00 0.00 N ATOM 760 CA MET A 49 38.470 35.337 34.444 1.00 0.00 C ATOM 761 C MET A 49 38.726 36.492 35.431 1.00 0.00 C ATOM 762 O MET A 49 38.393 36.348 36.609 1.00 0.00 O ATOM 763 CB MET A 49 39.507 34.206 34.646 1.00 0.00 C ATOM 764 CG MET A 49 39.072 32.868 34.046 1.00 0.00 C ATOM 765 SD MET A 49 40.003 31.437 34.656 1.00 0.00 S ATOM 766 CE MET A 49 39.099 31.150 36.198 1.00 0.00 C ATOM 0 H MET A 49 39.229 35.266 32.519 1.00 0.00 H new ATOM 0 HA MET A 49 37.461 34.996 34.676 1.00 0.00 H new ATOM 0 HB2 MET A 49 40.453 34.507 34.197 1.00 0.00 H new ATOM 0 HB3 MET A 49 39.688 34.076 35.713 1.00 0.00 H new ATOM 0 HG2 MET A 49 38.014 32.715 34.258 1.00 0.00 H new ATOM 0 HG3 MET A 49 39.176 32.919 32.962 1.00 0.00 H new ATOM 0 HE1 MET A 49 39.532 30.297 36.720 1.00 0.00 H new ATOM 0 HE2 MET A 49 39.167 32.035 36.830 1.00 0.00 H new ATOM 0 HE3 MET A 49 38.052 30.945 35.973 1.00 0.00 H new ATOM 776 N ALA A 50 39.262 37.631 34.981 1.00 0.00 N ATOM 777 CA ALA A 50 39.433 38.853 35.774 1.00 0.00 C ATOM 778 C ALA A 50 38.838 40.074 35.046 1.00 0.00 C ATOM 779 O ALA A 50 38.835 40.110 33.812 1.00 0.00 O ATOM 780 CB ALA A 50 40.930 39.033 36.052 1.00 0.00 C ATOM 0 H ALA A 50 39.600 37.731 34.024 1.00 0.00 H new ATOM 0 HA ALA A 50 38.895 38.766 36.718 1.00 0.00 H new ATOM 0 HB1 ALA A 50 41.085 39.937 36.641 1.00 0.00 H new ATOM 0 HB2 ALA A 50 41.304 38.171 36.605 1.00 0.00 H new ATOM 0 HB3 ALA A 50 41.468 39.119 35.108 1.00 0.00 H new ATOM 786 N THR A 51 38.330 41.055 35.807 1.00 0.00 N ATOM 787 CA THR A 51 37.660 42.267 35.290 1.00 0.00 C ATOM 788 C THR A 51 38.634 43.443 35.224 1.00 0.00 C ATOM 789 O THR A 51 38.854 43.983 34.140 1.00 0.00 O ATOM 790 CB THR A 51 36.413 42.567 36.134 1.00 0.00 C ATOM 791 OG1 THR A 51 35.532 41.472 35.995 1.00 0.00 O ATOM 792 CG2 THR A 51 35.653 43.812 35.676 1.00 0.00 C ATOM 0 H THR A 51 38.373 41.031 36.826 1.00 0.00 H new ATOM 0 HA THR A 51 37.327 42.094 34.267 1.00 0.00 H new ATOM 0 HB THR A 51 36.747 42.736 37.158 1.00 0.00 H new ATOM 0 HG1 THR A 51 34.724 41.633 36.525 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.784 43.964 36.316 1.00 0.00 H new ATOM 0 HG22 THR A 51 36.307 44.682 35.740 1.00 0.00 H new ATOM 0 HG23 THR A 51 35.325 43.679 34.645 1.00 0.00 H new ATOM 800 N TYR A 52 39.265 43.817 36.340 1.00 0.00 N ATOM 801 CA TYR A 52 40.496 44.617 36.334 1.00 0.00 C ATOM 802 C TYR A 52 41.725 43.704 36.171 1.00 0.00 C ATOM 803 O TYR A 52 41.714 42.569 36.658 1.00 0.00 O ATOM 804 CB TYR A 52 40.589 45.459 37.613 1.00 0.00 C ATOM 805 CG TYR A 52 41.638 46.551 37.527 1.00 0.00 C ATOM 806 CD1 TYR A 52 41.300 47.797 36.967 1.00 0.00 C ATOM 807 CD2 TYR A 52 42.960 46.306 37.946 1.00 0.00 C ATOM 808 CE1 TYR A 52 42.277 48.802 36.825 1.00 0.00 C ATOM 809 CE2 TYR A 52 43.945 47.302 37.800 1.00 0.00 C ATOM 810 CZ TYR A 52 43.605 48.555 37.240 1.00 0.00 C ATOM 811 OH TYR A 52 44.564 49.507 37.075 1.00 0.00 O ATOM 0 H TYR A 52 38.938 43.574 37.275 1.00 0.00 H new ATOM 0 HA TYR A 52 40.472 45.300 35.485 1.00 0.00 H new ATOM 0 HB2 TYR A 52 39.618 45.911 37.816 1.00 0.00 H new ATOM 0 HB3 TYR A 52 40.819 44.807 38.455 1.00 0.00 H new ATOM 0 HD1 TYR A 52 40.286 47.984 36.644 1.00 0.00 H new ATOM 0 HD2 TYR A 52 43.219 45.352 38.380 1.00 0.00 H new ATOM 0 HE1 TYR A 52 42.012 49.759 36.400 1.00 0.00 H new ATOM 0 HE2 TYR A 52 44.960 47.109 38.116 1.00 0.00 H new ATOM 0 HH TYR A 52 45.420 49.172 37.416 1.00 0.00 H new ATOM 821 N HIS A 53 42.785 44.181 35.506 1.00 0.00 N ATOM 822 CA HIS A 53 43.975 43.380 35.161 1.00 0.00 C ATOM 823 C HIS A 53 45.243 43.872 35.855 1.00 0.00 C ATOM 824 O HIS A 53 45.848 44.863 35.384 1.00 0.00 O ATOM 825 CB HIS A 53 44.088 43.297 33.622 1.00 0.00 C ATOM 826 CG HIS A 53 42.855 42.721 32.965 1.00 0.00 C ATOM 827 ND1 HIS A 53 42.136 43.301 31.914 1.00 0.00 N ATOM 828 CD2 HIS A 53 42.187 41.605 33.377 1.00 0.00 C ATOM 829 CE1 HIS A 53 41.045 42.532 31.739 1.00 0.00 C ATOM 830 NE2 HIS A 53 41.054 41.503 32.605 1.00 0.00 N ATOM 831 OXT HIS A 53 45.659 43.213 36.837 1.00 0.00 O ATOM 0 H HIS A 53 42.845 45.148 35.186 1.00 0.00 H new ATOM 0 HA HIS A 53 43.854 42.367 35.545 1.00 0.00 H new ATOM 0 HB2 HIS A 53 44.272 44.295 33.223 1.00 0.00 H new ATOM 0 HB3 HIS A 53 44.951 42.685 33.360 1.00 0.00 H new ATOM 0 HD2 HIS A 53 42.491 40.929 34.162 1.00 0.00 H new ATOM 0 HE1 HIS A 53 40.272 42.715 31.007 1.00 0.00 H new ATOM 0 HE2 HIS A 53 40.344 40.774 32.677 1.00 0.00 H new TER 839 HIS A 53