USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 590 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 MET CE :methyl -166:sc= -0.0159 (180deg=-0.265) USER MOD Single : A 1 MET N :NH3+ -144:sc= 1.36 (180deg=0.956) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -133:sc= 1.3 USER MOD Single : A 20 LYS NZ :NH3+ -143:sc= -1.72! (180deg=-4.64!) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0849) USER MOD Single : A 23 TYR OH : rot -31:sc= 0.151 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0.517 (180deg=0.447) USER MOD Single : A 29 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.13) USER MOD Single : A 31 HIS : no HE2:sc= 0.64 K(o=0.64,f=-7.2!) USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0184) USER MOD Single : A 35 ASN : amide:sc= -2.54! C(o=-2.5!,f=-6!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.048) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.24) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.151 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.4!) USER MOD Single : A 61 LYS NZ :NH3+ 143:sc= 2.11 (180deg=1.02) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.912 6.185 10.701 1.00 0.00 N ATOM 2 CA MET A 1 -11.472 5.849 10.751 1.00 0.00 C ATOM 3 C MET A 1 -11.069 5.091 9.492 1.00 0.00 C ATOM 4 O MET A 1 -11.925 4.586 8.762 1.00 0.00 O ATOM 5 CB MET A 1 -11.158 4.997 11.993 1.00 0.00 C ATOM 6 CG MET A 1 -11.631 3.547 11.899 1.00 0.00 C ATOM 7 SD MET A 1 -13.424 3.381 11.732 1.00 0.00 S ATOM 8 CE MET A 1 -13.980 3.984 13.323 1.00 0.00 C ATOM 0 H1 MET A 1 -13.066 7.117 11.136 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.229 6.209 9.711 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.455 5.466 11.221 1.00 0.00 H new ATOM 0 HA MET A 1 -10.904 6.777 10.810 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.081 5.005 12.161 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.620 5.462 12.864 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.149 3.071 11.045 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.306 3.009 12.789 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.026 3.716 13.468 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.377 3.536 14.113 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.875 5.068 13.358 1.00 0.00 H new ATOM 20 N ALA A 2 -9.774 5.022 9.229 1.00 0.00 N ATOM 21 CA ALA A 2 -9.268 4.269 8.096 1.00 0.00 C ATOM 22 C ALA A 2 -8.015 3.496 8.481 1.00 0.00 C ATOM 23 O ALA A 2 -6.954 4.085 8.693 1.00 0.00 O ATOM 24 CB ALA A 2 -8.981 5.196 6.922 1.00 0.00 C ATOM 0 H ALA A 2 -9.054 5.480 9.787 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.033 3.554 7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.603 4.613 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.899 5.704 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.236 5.935 7.216 1.00 0.00 H new ATOM 30 N SER A 3 -8.143 2.177 8.563 1.00 0.00 N ATOM 31 CA SER A 3 -7.011 1.309 8.880 1.00 0.00 C ATOM 32 C SER A 3 -5.954 1.381 7.785 1.00 0.00 C ATOM 33 O SER A 3 -4.804 0.986 7.982 1.00 0.00 O ATOM 34 CB SER A 3 -7.480 -0.135 9.049 1.00 0.00 C ATOM 35 OG SER A 3 -8.473 -0.236 10.055 1.00 0.00 O ATOM 0 H SER A 3 -9.022 1.682 8.414 1.00 0.00 H new ATOM 0 HA SER A 3 -6.571 1.654 9.816 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.877 -0.504 8.104 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.631 -0.768 9.307 1.00 0.00 H new ATOM 0 HG SER A 3 -8.757 -1.170 10.142 1.00 0.00 H new ATOM 41 N TYR A 4 -6.352 1.901 6.633 1.00 0.00 N ATOM 42 CA TYR A 4 -5.450 2.057 5.505 1.00 0.00 C ATOM 43 C TYR A 4 -4.366 3.084 5.826 1.00 0.00 C ATOM 44 O TYR A 4 -3.256 3.013 5.305 1.00 0.00 O ATOM 45 CB TYR A 4 -6.224 2.483 4.259 1.00 0.00 C ATOM 46 CG TYR A 4 -7.395 1.582 3.931 1.00 0.00 C ATOM 47 CD1 TYR A 4 -7.214 0.407 3.211 1.00 0.00 C ATOM 48 CD2 TYR A 4 -8.680 1.910 4.341 1.00 0.00 C ATOM 49 CE1 TYR A 4 -8.285 -0.416 2.911 1.00 0.00 C ATOM 50 CE2 TYR A 4 -9.754 1.094 4.045 1.00 0.00 C ATOM 51 CZ TYR A 4 -9.551 -0.067 3.330 1.00 0.00 C ATOM 52 OH TYR A 4 -10.620 -0.880 3.033 1.00 0.00 O ATOM 0 H TYR A 4 -7.303 2.224 6.456 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.974 1.096 5.310 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.588 3.501 4.399 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.543 2.503 3.408 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.223 0.132 2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.843 2.819 4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.130 -1.327 2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.747 1.364 4.372 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.440 -0.490 3.402 1.00 0.00 H new ATOM 62 N TYR A 5 -4.696 4.029 6.702 1.00 0.00 N ATOM 63 CA TYR A 5 -3.731 5.013 7.174 1.00 0.00 C ATOM 64 C TYR A 5 -2.623 4.310 7.948 1.00 0.00 C ATOM 65 O TYR A 5 -1.451 4.673 7.861 1.00 0.00 O ATOM 66 CB TYR A 5 -4.441 6.049 8.057 1.00 0.00 C ATOM 67 CG TYR A 5 -3.517 6.994 8.795 1.00 0.00 C ATOM 68 CD1 TYR A 5 -2.934 8.082 8.153 1.00 0.00 C ATOM 69 CD2 TYR A 5 -3.232 6.798 10.140 1.00 0.00 C ATOM 70 CE1 TYR A 5 -2.094 8.943 8.833 1.00 0.00 C ATOM 71 CE2 TYR A 5 -2.395 7.656 10.825 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.829 8.725 10.167 1.00 0.00 C ATOM 73 OH TYR A 5 -0.997 9.583 10.847 1.00 0.00 O ATOM 0 H TYR A 5 -5.629 4.133 7.100 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.286 5.530 6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.115 6.636 7.433 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.057 5.523 8.786 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.141 8.256 7.107 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.673 5.960 10.659 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.647 9.783 8.321 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.185 7.490 11.871 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.915 9.290 11.778 1.00 0.00 H new ATOM 83 N GLU A 6 -3.017 3.287 8.690 1.00 0.00 N ATOM 84 CA GLU A 6 -2.087 2.490 9.471 1.00 0.00 C ATOM 85 C GLU A 6 -1.246 1.584 8.573 1.00 0.00 C ATOM 86 O GLU A 6 -0.032 1.464 8.759 1.00 0.00 O ATOM 87 CB GLU A 6 -2.860 1.642 10.477 1.00 0.00 C ATOM 88 CG GLU A 6 -3.599 2.460 11.520 1.00 0.00 C ATOM 89 CD GLU A 6 -2.675 3.044 12.565 1.00 0.00 C ATOM 90 OE1 GLU A 6 -2.138 2.267 13.380 1.00 0.00 O ATOM 91 OE2 GLU A 6 -2.494 4.280 12.588 1.00 0.00 O ATOM 0 H GLU A 6 -3.989 2.987 8.767 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.414 3.167 9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.577 1.020 9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.167 0.968 10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.139 3.268 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.343 1.831 12.009 1.00 0.00 H new ATOM 98 N ILE A 7 -1.895 0.941 7.607 1.00 0.00 N ATOM 99 CA ILE A 7 -1.216 -0.009 6.736 1.00 0.00 C ATOM 100 C ILE A 7 -0.276 0.688 5.750 1.00 0.00 C ATOM 101 O ILE A 7 0.813 0.188 5.466 1.00 0.00 O ATOM 102 CB ILE A 7 -2.214 -0.941 5.992 1.00 0.00 C ATOM 103 CG1 ILE A 7 -3.191 -0.163 5.105 1.00 0.00 C ATOM 104 CG2 ILE A 7 -3.000 -1.772 6.992 1.00 0.00 C ATOM 105 CD1 ILE A 7 -2.725 0.038 3.681 1.00 0.00 C ATOM 0 H ILE A 7 -2.888 1.061 7.409 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.606 -0.637 7.385 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.620 -1.589 5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.146 -0.689 5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.372 0.813 5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.695 -2.421 6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.313 -2.381 7.579 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.557 -1.111 7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.479 0.598 3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.787 0.593 3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.573 -0.932 3.208 1.00 0.00 H new ATOM 117 N LEU A 8 -0.685 1.844 5.242 1.00 0.00 N ATOM 118 CA LEU A 8 0.139 2.575 4.294 1.00 0.00 C ATOM 119 C LEU A 8 0.887 3.705 4.996 1.00 0.00 C ATOM 120 O LEU A 8 2.007 3.504 5.468 1.00 0.00 O ATOM 121 CB LEU A 8 -0.712 3.118 3.139 1.00 0.00 C ATOM 122 CG LEU A 8 0.073 3.760 1.994 1.00 0.00 C ATOM 123 CD1 LEU A 8 1.052 2.762 1.396 1.00 0.00 C ATOM 124 CD2 LEU A 8 -0.873 4.278 0.919 1.00 0.00 C ATOM 0 H LEU A 8 -1.574 2.290 5.469 1.00 0.00 H new ATOM 0 HA LEU A 8 0.874 1.887 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.310 2.301 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.409 3.855 3.538 1.00 0.00 H new ATOM 0 HG LEU A 8 0.635 4.603 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.602 3.235 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.752 2.433 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.505 1.901 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.295 4.731 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.461 3.450 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.541 5.024 1.350 1.00 0.00 H new ATOM 136 N ASP A 9 0.246 4.870 5.086 1.00 0.00 N ATOM 137 CA ASP A 9 0.804 6.046 5.772 1.00 0.00 C ATOM 138 C ASP A 9 -0.058 7.276 5.504 1.00 0.00 C ATOM 139 O ASP A 9 0.106 8.315 6.149 1.00 0.00 O ATOM 140 CB ASP A 9 2.268 6.333 5.377 1.00 0.00 C ATOM 141 CG ASP A 9 2.472 6.655 3.907 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.611 5.707 3.103 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.547 7.852 3.564 1.00 0.00 O ATOM 0 H ASP A 9 -0.678 5.030 4.685 1.00 0.00 H new ATOM 0 HA ASP A 9 0.799 5.817 6.838 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.635 7.168 5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.877 5.466 5.634 1.00 0.00 H new ATOM 148 N VAL A 10 -0.980 7.153 4.555 1.00 0.00 N ATOM 149 CA VAL A 10 -1.938 8.215 4.276 1.00 0.00 C ATOM 150 C VAL A 10 -3.367 7.715 4.484 1.00 0.00 C ATOM 151 O VAL A 10 -3.641 6.520 4.355 1.00 0.00 O ATOM 152 CB VAL A 10 -1.787 8.759 2.837 1.00 0.00 C ATOM 153 CG1 VAL A 10 -0.465 9.488 2.677 1.00 0.00 C ATOM 154 CG2 VAL A 10 -1.906 7.638 1.819 1.00 0.00 C ATOM 0 H VAL A 10 -1.084 6.327 3.966 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.730 9.027 4.972 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.595 9.468 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.378 9.863 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.423 10.323 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.356 8.801 2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.796 8.046 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.125 6.899 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.883 7.163 1.913 1.00 0.00 H new ATOM 164 N PRO A 11 -4.287 8.627 4.842 1.00 0.00 N ATOM 165 CA PRO A 11 -5.671 8.285 5.161 1.00 0.00 C ATOM 166 C PRO A 11 -6.607 8.321 3.950 1.00 0.00 C ATOM 167 O PRO A 11 -6.157 8.431 2.812 1.00 0.00 O ATOM 168 CB PRO A 11 -6.035 9.378 6.152 1.00 0.00 C ATOM 169 CG PRO A 11 -5.301 10.580 5.659 1.00 0.00 C ATOM 170 CD PRO A 11 -4.046 10.074 4.986 1.00 0.00 C ATOM 0 HA PRO A 11 -5.772 7.266 5.534 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.111 9.551 6.176 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.731 9.114 7.165 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.914 11.148 4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.056 11.249 6.484 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.889 10.552 4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.160 10.275 5.588 1.00 0.00 H new ATOM 178 N ARG A 12 -7.913 8.260 4.208 1.00 0.00 N ATOM 179 CA ARG A 12 -8.903 8.174 3.135 1.00 0.00 C ATOM 180 C ARG A 12 -9.159 9.531 2.478 1.00 0.00 C ATOM 181 O ARG A 12 -9.467 9.607 1.289 1.00 0.00 O ATOM 182 CB ARG A 12 -10.227 7.610 3.659 1.00 0.00 C ATOM 183 CG ARG A 12 -10.885 8.464 4.734 1.00 0.00 C ATOM 184 CD ARG A 12 -12.310 8.015 5.016 1.00 0.00 C ATOM 185 NE ARG A 12 -12.370 6.775 5.788 1.00 0.00 N ATOM 186 CZ ARG A 12 -13.340 5.870 5.654 1.00 0.00 C ATOM 187 NH1 ARG A 12 -14.272 6.032 4.723 1.00 0.00 N ATOM 188 NH2 ARG A 12 -13.381 4.805 6.444 1.00 0.00 N ATOM 0 H ARG A 12 -8.309 8.268 5.148 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.490 7.502 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.919 7.500 2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.051 6.612 4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.298 8.410 5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.888 9.507 4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.833 8.802 5.559 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.836 7.876 4.072 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.630 6.592 6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.245 6.848 4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.015 5.341 4.619 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.667 4.674 7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.126 4.117 6.335 1.00 0.00 H new ATOM 202 N SER A 13 -9.039 10.596 3.260 1.00 0.00 N ATOM 203 CA SER A 13 -9.308 11.948 2.777 1.00 0.00 C ATOM 204 C SER A 13 -8.231 12.412 1.800 1.00 0.00 C ATOM 205 O SER A 13 -8.348 13.473 1.183 1.00 0.00 O ATOM 206 CB SER A 13 -9.410 12.917 3.956 1.00 0.00 C ATOM 207 OG SER A 13 -10.487 12.560 4.811 1.00 0.00 O ATOM 0 H SER A 13 -8.755 10.551 4.239 1.00 0.00 H new ATOM 0 HA SER A 13 -10.259 11.934 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.476 12.912 4.518 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.554 13.932 3.587 1.00 0.00 H new ATOM 0 HG SER A 13 -10.534 13.191 5.559 1.00 0.00 H new ATOM 213 N ALA A 14 -7.185 11.615 1.667 1.00 0.00 N ATOM 214 CA ALA A 14 -6.133 11.887 0.722 1.00 0.00 C ATOM 215 C ALA A 14 -6.594 11.535 -0.689 1.00 0.00 C ATOM 216 O ALA A 14 -7.352 10.584 -0.889 1.00 0.00 O ATOM 217 CB ALA A 14 -4.904 11.087 1.108 1.00 0.00 C ATOM 0 H ALA A 14 -7.048 10.765 2.213 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.884 12.948 0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.102 11.287 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.582 11.375 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.143 10.024 1.095 1.00 0.00 H new ATOM 223 N SER A 15 -6.161 12.321 -1.664 1.00 0.00 N ATOM 224 CA SER A 15 -6.518 12.081 -3.051 1.00 0.00 C ATOM 225 C SER A 15 -5.730 10.897 -3.601 1.00 0.00 C ATOM 226 O SER A 15 -4.646 10.601 -3.098 1.00 0.00 O ATOM 227 CB SER A 15 -6.256 13.344 -3.878 1.00 0.00 C ATOM 228 OG SER A 15 -6.654 13.180 -5.228 1.00 0.00 O ATOM 0 H SER A 15 -5.560 13.132 -1.518 1.00 0.00 H new ATOM 0 HA SER A 15 -7.579 11.839 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.795 14.184 -3.440 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.195 13.591 -3.839 1.00 0.00 H new ATOM 0 HG SER A 15 -5.945 13.507 -5.820 1.00 0.00 H new ATOM 234 N ALA A 16 -6.260 10.230 -4.619 1.00 0.00 N ATOM 235 CA ALA A 16 -5.644 9.011 -5.151 1.00 0.00 C ATOM 236 C ALA A 16 -4.169 9.230 -5.483 1.00 0.00 C ATOM 237 O ALA A 16 -3.321 8.383 -5.191 1.00 0.00 O ATOM 238 CB ALA A 16 -6.397 8.534 -6.380 1.00 0.00 C ATOM 0 H ALA A 16 -7.117 10.510 -5.097 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.701 8.243 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.929 7.628 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.432 8.322 -6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.371 9.309 -7.146 1.00 0.00 H new ATOM 244 N ASP A 17 -3.868 10.387 -6.064 1.00 0.00 N ATOM 245 CA ASP A 17 -2.497 10.746 -6.418 1.00 0.00 C ATOM 246 C ASP A 17 -1.609 10.862 -5.180 1.00 0.00 C ATOM 247 O ASP A 17 -0.425 10.540 -5.226 1.00 0.00 O ATOM 248 CB ASP A 17 -2.466 12.051 -7.215 1.00 0.00 C ATOM 249 CG ASP A 17 -3.290 13.150 -6.583 1.00 0.00 C ATOM 250 OD1 ASP A 17 -4.529 13.137 -6.760 1.00 0.00 O ATOM 251 OD2 ASP A 17 -2.709 14.033 -5.919 1.00 0.00 O ATOM 0 H ASP A 17 -4.560 11.098 -6.302 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.101 9.944 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.434 12.388 -7.310 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.834 11.863 -8.224 1.00 0.00 H new ATOM 256 N ASP A 18 -2.178 11.326 -4.079 1.00 0.00 N ATOM 257 CA ASP A 18 -1.439 11.434 -2.824 1.00 0.00 C ATOM 258 C ASP A 18 -1.127 10.044 -2.275 1.00 0.00 C ATOM 259 O ASP A 18 -0.026 9.796 -1.785 1.00 0.00 O ATOM 260 CB ASP A 18 -2.226 12.247 -1.793 1.00 0.00 C ATOM 261 CG ASP A 18 -1.363 12.687 -0.624 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.573 13.641 -0.794 1.00 0.00 O ATOM 263 OD2 ASP A 18 -1.471 12.096 0.468 1.00 0.00 O ATOM 0 H ASP A 18 -3.149 11.635 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.502 11.954 -3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.654 13.125 -2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.059 11.650 -1.422 1.00 0.00 H new ATOM 268 N ILE A 19 -2.102 9.138 -2.369 1.00 0.00 N ATOM 269 CA ILE A 19 -1.874 7.731 -2.034 1.00 0.00 C ATOM 270 C ILE A 19 -0.795 7.153 -2.947 1.00 0.00 C ATOM 271 O ILE A 19 0.088 6.413 -2.507 1.00 0.00 O ATOM 272 CB ILE A 19 -3.168 6.879 -2.162 1.00 0.00 C ATOM 273 CG1 ILE A 19 -4.063 7.064 -0.942 1.00 0.00 C ATOM 274 CG2 ILE A 19 -2.859 5.403 -2.366 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.877 8.322 -0.997 1.00 0.00 C ATOM 0 H ILE A 19 -3.052 9.352 -2.673 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.552 7.692 -0.993 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.697 7.234 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.733 6.208 -0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.445 7.077 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.791 4.844 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.276 5.276 -3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.288 5.030 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.493 8.396 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.212 9.184 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.519 8.302 -1.878 1.00 0.00 H new ATOM 287 N LYS A 20 -0.880 7.513 -4.220 1.00 0.00 N ATOM 288 CA LYS A 20 0.091 7.094 -5.217 1.00 0.00 C ATOM 289 C LYS A 20 1.487 7.573 -4.821 1.00 0.00 C ATOM 290 O LYS A 20 2.462 6.827 -4.916 1.00 0.00 O ATOM 291 CB LYS A 20 -0.303 7.668 -6.582 1.00 0.00 C ATOM 292 CG LYS A 20 0.486 7.101 -7.751 1.00 0.00 C ATOM 293 CD LYS A 20 0.159 5.635 -8.010 1.00 0.00 C ATOM 294 CE LYS A 20 -1.177 5.442 -8.732 1.00 0.00 C ATOM 295 NZ LYS A 20 -2.357 5.737 -7.870 1.00 0.00 N ATOM 0 H LYS A 20 -1.625 8.104 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 20 0.104 6.006 -5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.364 7.480 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.170 8.750 -6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.272 7.683 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.553 7.204 -7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.956 5.190 -8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.134 5.100 -7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.205 6.088 -9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.244 4.415 -9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.123 5.069 -8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.089 5.640 -6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.683 6.708 -8.049 1.00 0.00 H new ATOM 309 N LYS A 21 1.564 8.813 -4.354 1.00 0.00 N ATOM 310 CA LYS A 21 2.828 9.397 -3.923 1.00 0.00 C ATOM 311 C LYS A 21 3.353 8.684 -2.683 1.00 0.00 C ATOM 312 O LYS A 21 4.549 8.395 -2.584 1.00 0.00 O ATOM 313 CB LYS A 21 2.665 10.890 -3.629 1.00 0.00 C ATOM 314 CG LYS A 21 3.752 11.748 -4.257 1.00 0.00 C ATOM 315 CD LYS A 21 5.142 11.331 -3.806 1.00 0.00 C ATOM 316 CE LYS A 21 6.125 11.303 -4.968 1.00 0.00 C ATOM 317 NZ LYS A 21 6.208 12.609 -5.678 1.00 0.00 N ATOM 0 H LYS A 21 0.762 9.436 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 21 3.546 9.275 -4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.693 11.221 -3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.669 11.043 -2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.687 11.677 -5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.585 12.793 -3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.500 12.022 -3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.095 10.344 -3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.113 11.032 -4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.826 10.528 -5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.015 12.597 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.331 12.770 -6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.336 13.374 -4.985 1.00 0.00 H new ATOM 331 N ALA A 22 2.457 8.402 -1.742 1.00 0.00 N ATOM 332 CA ALA A 22 2.824 7.705 -0.516 1.00 0.00 C ATOM 333 C ALA A 22 3.395 6.330 -0.833 1.00 0.00 C ATOM 334 O ALA A 22 4.387 5.905 -0.238 1.00 0.00 O ATOM 335 CB ALA A 22 1.625 7.590 0.414 1.00 0.00 C ATOM 0 H ALA A 22 1.469 8.647 -1.807 1.00 0.00 H new ATOM 0 HA ALA A 22 3.594 8.285 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.919 7.067 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.265 8.587 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.831 7.034 -0.084 1.00 0.00 H new ATOM 341 N TYR A 23 2.773 5.649 -1.786 1.00 0.00 N ATOM 342 CA TYR A 23 3.274 4.370 -2.262 1.00 0.00 C ATOM 343 C TYR A 23 4.634 4.533 -2.931 1.00 0.00 C ATOM 344 O TYR A 23 5.533 3.733 -2.705 1.00 0.00 O ATOM 345 CB TYR A 23 2.260 3.717 -3.215 1.00 0.00 C ATOM 346 CG TYR A 23 2.873 2.910 -4.347 1.00 0.00 C ATOM 347 CD1 TYR A 23 3.300 1.604 -4.149 1.00 0.00 C ATOM 348 CD2 TYR A 23 3.025 3.461 -5.615 1.00 0.00 C ATOM 349 CE1 TYR A 23 3.861 0.871 -5.177 1.00 0.00 C ATOM 350 CE2 TYR A 23 3.584 2.735 -6.648 1.00 0.00 C ATOM 351 CZ TYR A 23 4.002 1.440 -6.424 1.00 0.00 C ATOM 352 OH TYR A 23 4.562 0.712 -7.450 1.00 0.00 O ATOM 0 H TYR A 23 1.918 5.964 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 23 3.406 3.711 -1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.607 3.065 -2.635 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.632 4.498 -3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.192 1.153 -3.174 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.700 4.475 -5.795 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.188 -0.144 -5.004 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.693 3.179 -7.626 1.00 0.00 H new ATOM 0 HH TYR A 23 5.218 0.083 -7.084 1.00 0.00 H new ATOM 362 N ARG A 24 4.792 5.580 -3.732 1.00 0.00 N ATOM 363 CA ARG A 24 6.038 5.790 -4.464 1.00 0.00 C ATOM 364 C ARG A 24 7.207 6.055 -3.521 1.00 0.00 C ATOM 365 O ARG A 24 8.292 5.508 -3.709 1.00 0.00 O ATOM 366 CB ARG A 24 5.910 6.948 -5.457 1.00 0.00 C ATOM 367 CG ARG A 24 5.040 6.645 -6.658 1.00 0.00 C ATOM 368 CD ARG A 24 4.857 7.899 -7.487 1.00 0.00 C ATOM 369 NE ARG A 24 4.008 7.687 -8.657 1.00 0.00 N ATOM 370 CZ ARG A 24 3.830 8.599 -9.613 1.00 0.00 C ATOM 371 NH1 ARG A 24 4.463 9.763 -9.548 1.00 0.00 N ATOM 372 NH2 ARG A 24 3.031 8.344 -10.637 1.00 0.00 N ATOM 0 H ARG A 24 4.080 6.293 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 24 6.237 4.871 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.502 7.814 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.905 7.225 -5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.498 5.862 -7.262 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.070 6.269 -6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.421 8.680 -6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.833 8.259 -7.813 1.00 0.00 H new ATOM 0 HE ARG A 24 3.525 6.793 -8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.087 9.961 -8.766 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.326 10.460 -10.280 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.549 7.447 -10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.897 9.044 -11.366 1.00 0.00 H new ATOM 386 N ARG A 25 6.992 6.886 -2.506 1.00 0.00 N ATOM 387 CA ARG A 25 8.055 7.196 -1.557 1.00 0.00 C ATOM 388 C ARG A 25 8.369 5.979 -0.690 1.00 0.00 C ATOM 389 O ARG A 25 9.532 5.695 -0.396 1.00 0.00 O ATOM 390 CB ARG A 25 7.692 8.404 -0.682 1.00 0.00 C ATOM 391 CG ARG A 25 6.433 8.222 0.150 1.00 0.00 C ATOM 392 CD ARG A 25 6.191 9.425 1.041 1.00 0.00 C ATOM 393 NE ARG A 25 4.912 9.354 1.746 1.00 0.00 N ATOM 394 CZ ARG A 25 4.251 10.428 2.179 1.00 0.00 C ATOM 395 NH1 ARG A 25 4.762 11.640 1.997 1.00 0.00 N ATOM 396 NH2 ARG A 25 3.089 10.288 2.800 1.00 0.00 N ATOM 0 H ARG A 25 6.103 7.351 -2.321 1.00 0.00 H new ATOM 0 HA ARG A 25 8.946 7.457 -2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.527 8.617 -0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.566 9.277 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.577 8.074 -0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.524 7.324 0.762 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.999 9.502 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.219 10.332 0.437 1.00 0.00 H new ATOM 0 HE ARG A 25 4.504 8.435 1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.660 11.749 1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.256 12.462 2.328 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.699 9.357 2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.585 11.111 3.130 1.00 0.00 H new ATOM 410 N LYS A 26 7.326 5.256 -0.303 1.00 0.00 N ATOM 411 CA LYS A 26 7.477 4.028 0.462 1.00 0.00 C ATOM 412 C LYS A 26 8.208 2.983 -0.384 1.00 0.00 C ATOM 413 O LYS A 26 9.071 2.256 0.108 1.00 0.00 O ATOM 414 CB LYS A 26 6.095 3.526 0.897 1.00 0.00 C ATOM 415 CG LYS A 26 6.119 2.226 1.682 1.00 0.00 C ATOM 416 CD LYS A 26 4.711 1.758 2.030 1.00 0.00 C ATOM 417 CE LYS A 26 4.281 2.177 3.434 1.00 0.00 C ATOM 418 NZ LYS A 26 4.280 3.653 3.634 1.00 0.00 N ATOM 0 H LYS A 26 6.358 5.503 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 26 8.071 4.215 1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.617 4.295 1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.476 3.390 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.626 1.457 1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.695 2.363 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.008 2.164 1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.663 0.672 1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.281 1.790 3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.949 1.719 4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.853 3.878 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.258 4.007 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.729 4.106 2.877 1.00 0.00 H new ATOM 432 N ALA A 27 7.862 2.943 -1.669 1.00 0.00 N ATOM 433 CA ALA A 27 8.512 2.058 -2.630 1.00 0.00 C ATOM 434 C ALA A 27 9.975 2.436 -2.822 1.00 0.00 C ATOM 435 O ALA A 27 10.833 1.570 -2.954 1.00 0.00 O ATOM 436 CB ALA A 27 7.784 2.094 -3.968 1.00 0.00 C ATOM 0 H ALA A 27 7.125 3.522 -2.071 1.00 0.00 H new ATOM 0 HA ALA A 27 8.469 1.044 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.283 1.428 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.753 1.769 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.795 3.111 -4.361 1.00 0.00 H new ATOM 442 N LEU A 28 10.248 3.739 -2.850 1.00 0.00 N ATOM 443 CA LEU A 28 11.608 4.244 -3.013 1.00 0.00 C ATOM 444 C LEU A 28 12.508 3.771 -1.877 1.00 0.00 C ATOM 445 O LEU A 28 13.659 3.398 -2.103 1.00 0.00 O ATOM 446 CB LEU A 28 11.599 5.776 -3.061 1.00 0.00 C ATOM 447 CG LEU A 28 12.231 6.407 -4.306 1.00 0.00 C ATOM 448 CD1 LEU A 28 13.702 6.029 -4.413 1.00 0.00 C ATOM 449 CD2 LEU A 28 11.472 5.985 -5.553 1.00 0.00 C ATOM 0 H LEU A 28 9.540 4.468 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 28 12.003 3.854 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.566 6.117 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.122 6.152 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 28 12.168 7.491 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.132 6.487 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.234 6.383 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.795 4.945 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.932 6.440 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.504 4.900 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.435 6.312 -5.476 1.00 0.00 H new ATOM 461 N GLN A 29 11.969 3.771 -0.662 1.00 0.00 N ATOM 462 CA GLN A 29 12.732 3.377 0.521 1.00 0.00 C ATOM 463 C GLN A 29 13.174 1.920 0.434 1.00 0.00 C ATOM 464 O GLN A 29 14.279 1.570 0.849 1.00 0.00 O ATOM 465 CB GLN A 29 11.901 3.588 1.787 1.00 0.00 C ATOM 466 CG GLN A 29 11.471 5.031 2.000 1.00 0.00 C ATOM 467 CD GLN A 29 12.640 5.995 2.026 1.00 0.00 C ATOM 468 OE1 GLN A 29 13.212 6.269 3.078 1.00 0.00 O ATOM 469 NE2 GLN A 29 12.994 6.523 0.864 1.00 0.00 N ATOM 0 H GLN A 29 11.004 4.040 -0.469 1.00 0.00 H new ATOM 0 HA GLN A 29 13.622 4.005 0.565 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.014 2.957 1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.479 3.259 2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.784 5.322 1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.923 5.107 2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.492 6.268 0.014 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.769 7.185 0.819 1.00 0.00 H new ATOM 478 N TRP A 30 12.313 1.079 -0.115 1.00 0.00 N ATOM 479 CA TRP A 30 12.583 -0.350 -0.195 1.00 0.00 C ATOM 480 C TRP A 30 12.838 -0.785 -1.634 1.00 0.00 C ATOM 481 O TRP A 30 12.720 -1.965 -1.973 1.00 0.00 O ATOM 482 CB TRP A 30 11.432 -1.146 0.430 1.00 0.00 C ATOM 483 CG TRP A 30 11.238 -0.836 1.885 1.00 0.00 C ATOM 484 CD1 TRP A 30 12.218 -0.706 2.825 1.00 0.00 C ATOM 485 CD2 TRP A 30 9.995 -0.629 2.568 1.00 0.00 C ATOM 486 NE1 TRP A 30 11.663 -0.426 4.050 1.00 0.00 N ATOM 487 CE2 TRP A 30 10.300 -0.376 3.919 1.00 0.00 C ATOM 488 CE3 TRP A 30 8.655 -0.630 2.170 1.00 0.00 C ATOM 489 CZ2 TRP A 30 9.315 -0.128 4.872 1.00 0.00 C ATOM 490 CZ3 TRP A 30 7.679 -0.385 3.118 1.00 0.00 C ATOM 491 CH2 TRP A 30 8.012 -0.138 4.453 1.00 0.00 C ATOM 0 H TRP A 30 11.418 1.361 -0.514 1.00 0.00 H new ATOM 0 HA TRP A 30 13.490 -0.558 0.372 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.510 -0.929 -0.110 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.627 -2.212 0.312 1.00 0.00 H new ATOM 0 HD1 TRP A 30 13.276 -0.808 2.634 1.00 0.00 H new ATOM 0 HE1 TRP A 30 12.181 -0.279 4.916 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.387 -0.819 1.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 9.570 0.065 5.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 6.640 -0.384 2.822 1.00 0.00 H new ATOM 0 HH2 TRP A 30 7.225 0.049 5.169 1.00 0.00 H new ATOM 502 N HIS A 31 13.172 0.175 -2.485 1.00 0.00 N ATOM 503 CA HIS A 31 13.462 -0.110 -3.881 1.00 0.00 C ATOM 504 C HIS A 31 14.809 -0.805 -3.975 1.00 0.00 C ATOM 505 O HIS A 31 15.737 -0.448 -3.262 1.00 0.00 O ATOM 506 CB HIS A 31 13.492 1.194 -4.687 1.00 0.00 C ATOM 507 CG HIS A 31 12.666 1.161 -5.940 1.00 0.00 C ATOM 508 ND1 HIS A 31 13.197 0.942 -7.192 1.00 0.00 N ATOM 509 CD2 HIS A 31 11.338 1.347 -6.130 1.00 0.00 C ATOM 510 CE1 HIS A 31 12.238 0.996 -8.093 1.00 0.00 C ATOM 511 NE2 HIS A 31 11.099 1.242 -7.479 1.00 0.00 N ATOM 0 H HIS A 31 13.249 1.160 -2.231 1.00 0.00 H new ATOM 0 HA HIS A 31 12.686 -0.757 -4.290 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.139 2.008 -4.054 1.00 0.00 H new ATOM 0 HB3 HIS A 31 14.525 1.421 -4.952 1.00 0.00 H new ATOM 0 HD1 HIS A 31 14.182 0.765 -7.391 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.603 1.542 -5.363 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.364 0.861 -9.157 1.00 0.00 H new ATOM 520 N PRO A 32 14.931 -1.798 -4.873 1.00 0.00 N ATOM 521 CA PRO A 32 16.172 -2.566 -5.068 1.00 0.00 C ATOM 522 C PRO A 32 17.366 -1.670 -5.378 1.00 0.00 C ATOM 523 O PRO A 32 18.511 -2.008 -5.082 1.00 0.00 O ATOM 524 CB PRO A 32 15.860 -3.475 -6.267 1.00 0.00 C ATOM 525 CG PRO A 32 14.625 -2.911 -6.884 1.00 0.00 C ATOM 526 CD PRO A 32 13.864 -2.271 -5.765 1.00 0.00 C ATOM 0 HA PRO A 32 16.450 -3.114 -4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.686 -3.483 -6.979 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.704 -4.506 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.872 -2.182 -7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.034 -3.693 -7.361 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.239 -1.451 -6.118 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.205 -2.982 -5.266 1.00 0.00 H new ATOM 534 N ASP A 33 17.078 -0.535 -6.001 1.00 0.00 N ATOM 535 CA ASP A 33 18.086 0.476 -6.305 1.00 0.00 C ATOM 536 C ASP A 33 18.653 1.078 -5.022 1.00 0.00 C ATOM 537 O ASP A 33 19.827 1.441 -4.953 1.00 0.00 O ATOM 538 CB ASP A 33 17.466 1.601 -7.140 1.00 0.00 C ATOM 539 CG ASP A 33 16.628 1.095 -8.294 1.00 0.00 C ATOM 540 OD1 ASP A 33 15.573 0.474 -8.035 1.00 0.00 O ATOM 541 OD2 ASP A 33 16.993 1.344 -9.457 1.00 0.00 O ATOM 0 H ASP A 33 16.138 -0.288 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 33 18.888 -0.007 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 33 16.846 2.224 -6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.261 2.237 -7.529 1.00 0.00 H new ATOM 546 N LYS A 34 17.804 1.177 -4.006 1.00 0.00 N ATOM 547 CA LYS A 34 18.145 1.855 -2.766 1.00 0.00 C ATOM 548 C LYS A 34 18.154 0.872 -1.597 1.00 0.00 C ATOM 549 O LYS A 34 18.063 1.267 -0.433 1.00 0.00 O ATOM 550 CB LYS A 34 17.133 2.969 -2.502 1.00 0.00 C ATOM 551 CG LYS A 34 17.033 3.996 -3.624 1.00 0.00 C ATOM 552 CD LYS A 34 18.371 4.666 -3.882 1.00 0.00 C ATOM 553 CE LYS A 34 18.285 5.715 -4.984 1.00 0.00 C ATOM 554 NZ LYS A 34 18.017 5.118 -6.321 1.00 0.00 N ATOM 0 H LYS A 34 16.861 0.789 -4.021 1.00 0.00 H new ATOM 0 HA LYS A 34 19.143 2.282 -2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.151 2.523 -2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.404 3.481 -1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.686 3.509 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.291 4.750 -3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.724 5.134 -2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 34 19.107 3.911 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.495 6.427 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.219 6.276 -5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.052 5.862 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.737 4.397 -6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.075 4.678 -6.322 1.00 0.00 H new ATOM 568 N ASN A 35 18.251 -0.408 -1.919 1.00 0.00 N ATOM 569 CA ASN A 35 18.234 -1.461 -0.915 1.00 0.00 C ATOM 570 C ASN A 35 19.577 -2.189 -0.904 1.00 0.00 C ATOM 571 O ASN A 35 20.122 -2.498 -1.961 1.00 0.00 O ATOM 572 CB ASN A 35 17.094 -2.448 -1.206 1.00 0.00 C ATOM 573 CG ASN A 35 17.039 -3.567 -0.197 1.00 0.00 C ATOM 574 OD1 ASN A 35 17.677 -4.596 -0.365 1.00 0.00 O ATOM 575 ND2 ASN A 35 16.272 -3.371 0.862 1.00 0.00 N ATOM 0 H ASN A 35 18.343 -0.745 -2.877 1.00 0.00 H new ATOM 0 HA ASN A 35 18.067 -1.016 0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 35 16.144 -1.914 -1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 35 17.224 -2.867 -2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.196 -4.094 1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.756 -2.497 0.963 1.00 0.00 H new ATOM 582 N PRO A 36 20.136 -2.449 0.294 1.00 0.00 N ATOM 583 CA PRO A 36 21.434 -3.098 0.439 1.00 0.00 C ATOM 584 C PRO A 36 21.366 -4.634 0.477 1.00 0.00 C ATOM 585 O PRO A 36 21.130 -5.275 -0.544 1.00 0.00 O ATOM 586 CB PRO A 36 21.946 -2.535 1.767 1.00 0.00 C ATOM 587 CG PRO A 36 20.724 -2.181 2.559 1.00 0.00 C ATOM 588 CD PRO A 36 19.557 -2.103 1.600 1.00 0.00 C ATOM 0 HA PRO A 36 22.080 -2.898 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.554 -3.270 2.294 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.574 -1.659 1.604 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.537 -2.931 3.328 1.00 0.00 H new ATOM 0 HG3 PRO A 36 20.863 -1.228 3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.765 -2.797 1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.118 -1.106 1.589 1.00 0.00 H new ATOM 596 N ASP A 37 21.574 -5.222 1.657 1.00 0.00 N ATOM 597 CA ASP A 37 21.704 -6.677 1.774 1.00 0.00 C ATOM 598 C ASP A 37 20.402 -7.360 2.181 1.00 0.00 C ATOM 599 O ASP A 37 20.313 -8.587 2.171 1.00 0.00 O ATOM 600 CB ASP A 37 22.788 -7.043 2.785 1.00 0.00 C ATOM 601 CG ASP A 37 24.185 -6.732 2.299 1.00 0.00 C ATOM 602 OD1 ASP A 37 24.773 -7.577 1.588 1.00 0.00 O ATOM 603 OD2 ASP A 37 24.711 -5.652 2.637 1.00 0.00 O ATOM 0 H ASP A 37 21.656 -4.718 2.540 1.00 0.00 H new ATOM 0 HA ASP A 37 21.976 -7.034 0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.605 -6.504 3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 37 22.718 -8.106 3.014 1.00 0.00 H new ATOM 608 N ASN A 38 19.394 -6.587 2.539 1.00 0.00 N ATOM 609 CA ASN A 38 18.121 -7.171 2.943 1.00 0.00 C ATOM 610 C ASN A 38 17.116 -7.035 1.815 1.00 0.00 C ATOM 611 O ASN A 38 16.488 -5.993 1.665 1.00 0.00 O ATOM 612 CB ASN A 38 17.589 -6.486 4.205 1.00 0.00 C ATOM 613 CG ASN A 38 18.464 -6.708 5.422 1.00 0.00 C ATOM 614 OD1 ASN A 38 19.390 -5.939 5.689 1.00 0.00 O ATOM 615 ND2 ASN A 38 18.168 -7.754 6.178 1.00 0.00 N ATOM 0 H ASN A 38 19.426 -5.568 2.560 1.00 0.00 H new ATOM 0 HA ASN A 38 18.275 -8.227 3.165 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.502 -5.415 4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.586 -6.856 4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 38 18.715 -7.948 7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.393 -8.366 5.921 1.00 0.00 H new ATOM 622 N LYS A 39 16.926 -8.103 1.054 1.00 0.00 N ATOM 623 CA LYS A 39 16.119 -8.027 -0.156 1.00 0.00 C ATOM 624 C LYS A 39 14.734 -8.605 0.070 1.00 0.00 C ATOM 625 O LYS A 39 13.764 -8.166 -0.548 1.00 0.00 O ATOM 626 CB LYS A 39 16.789 -8.781 -1.313 1.00 0.00 C ATOM 627 CG LYS A 39 18.297 -8.586 -1.419 1.00 0.00 C ATOM 628 CD LYS A 39 18.680 -7.122 -1.567 1.00 0.00 C ATOM 629 CE LYS A 39 18.100 -6.494 -2.824 1.00 0.00 C ATOM 630 NZ LYS A 39 18.648 -7.103 -4.061 1.00 0.00 N ATOM 0 H LYS A 39 17.316 -9.025 1.250 1.00 0.00 H new ATOM 0 HA LYS A 39 16.030 -6.972 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.582 -9.845 -1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.330 -8.463 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.778 -8.997 -0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.674 -9.146 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.333 -6.569 -0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.766 -7.034 -1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.016 -6.605 -2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.311 -5.425 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.316 -6.567 -4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.687 -7.081 -4.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.325 -8.089 -4.135 1.00 0.00 H new ATOM 644 N GLU A 40 14.650 -9.573 0.970 1.00 0.00 N ATOM 645 CA GLU A 40 13.409 -10.305 1.203 1.00 0.00 C ATOM 646 C GLU A 40 12.306 -9.371 1.678 1.00 0.00 C ATOM 647 O GLU A 40 11.182 -9.414 1.182 1.00 0.00 O ATOM 648 CB GLU A 40 13.634 -11.394 2.253 1.00 0.00 C ATOM 649 CG GLU A 40 12.432 -12.298 2.472 1.00 0.00 C ATOM 650 CD GLU A 40 12.613 -13.218 3.660 1.00 0.00 C ATOM 651 OE1 GLU A 40 13.425 -14.165 3.571 1.00 0.00 O ATOM 652 OE2 GLU A 40 11.956 -12.991 4.696 1.00 0.00 O ATOM 0 H GLU A 40 15.430 -9.873 1.555 1.00 0.00 H new ATOM 0 HA GLU A 40 13.103 -10.758 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.485 -12.005 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.899 -10.923 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.543 -11.686 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.261 -12.895 1.576 1.00 0.00 H new ATOM 659 N PHE A 41 12.637 -8.506 2.620 1.00 0.00 N ATOM 660 CA PHE A 41 11.650 -7.583 3.147 1.00 0.00 C ATOM 661 C PHE A 41 11.329 -6.510 2.113 1.00 0.00 C ATOM 662 O PHE A 41 10.182 -6.094 1.984 1.00 0.00 O ATOM 663 CB PHE A 41 12.100 -6.978 4.490 1.00 0.00 C ATOM 664 CG PHE A 41 12.883 -5.696 4.399 1.00 0.00 C ATOM 665 CD1 PHE A 41 14.191 -5.684 3.946 1.00 0.00 C ATOM 666 CD2 PHE A 41 12.304 -4.499 4.790 1.00 0.00 C ATOM 667 CE1 PHE A 41 14.904 -4.502 3.879 1.00 0.00 C ATOM 668 CE2 PHE A 41 13.014 -3.317 4.725 1.00 0.00 C ATOM 669 CZ PHE A 41 14.315 -3.318 4.269 1.00 0.00 C ATOM 0 H PHE A 41 13.567 -8.424 3.030 1.00 0.00 H new ATOM 0 HA PHE A 41 10.734 -8.137 3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.216 -6.799 5.101 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.706 -7.716 5.015 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.659 -6.608 3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.286 -4.491 5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 41 15.923 -4.506 3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.550 -2.391 5.031 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.871 -2.394 4.217 1.00 0.00 H new ATOM 679 N ALA A 42 12.339 -6.084 1.356 1.00 0.00 N ATOM 680 CA ALA A 42 12.151 -5.043 0.354 1.00 0.00 C ATOM 681 C ALA A 42 11.170 -5.493 -0.725 1.00 0.00 C ATOM 682 O ALA A 42 10.281 -4.738 -1.122 1.00 0.00 O ATOM 683 CB ALA A 42 13.482 -4.655 -0.280 1.00 0.00 C ATOM 0 H ALA A 42 13.291 -6.444 1.419 1.00 0.00 H new ATOM 0 HA ALA A 42 11.735 -4.170 0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.317 -3.876 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.157 -4.283 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.925 -5.528 -0.760 1.00 0.00 H new ATOM 689 N GLU A 43 11.325 -6.728 -1.192 1.00 0.00 N ATOM 690 CA GLU A 43 10.471 -7.248 -2.252 1.00 0.00 C ATOM 691 C GLU A 43 9.043 -7.465 -1.751 1.00 0.00 C ATOM 692 O GLU A 43 8.077 -7.119 -2.439 1.00 0.00 O ATOM 693 CB GLU A 43 11.046 -8.549 -2.833 1.00 0.00 C ATOM 694 CG GLU A 43 11.164 -9.682 -1.828 1.00 0.00 C ATOM 695 CD GLU A 43 11.755 -10.937 -2.430 1.00 0.00 C ATOM 696 OE1 GLU A 43 10.990 -11.767 -2.957 1.00 0.00 O ATOM 697 OE2 GLU A 43 12.992 -11.104 -2.377 1.00 0.00 O ATOM 0 H GLU A 43 12.030 -7.383 -0.855 1.00 0.00 H new ATOM 0 HA GLU A 43 10.440 -6.505 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.414 -8.875 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.032 -8.343 -3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.784 -9.358 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.177 -9.908 -1.424 1.00 0.00 H new ATOM 704 N LYS A 44 8.909 -8.009 -0.544 1.00 0.00 N ATOM 705 CA LYS A 44 7.597 -8.284 0.016 1.00 0.00 C ATOM 706 C LYS A 44 6.869 -6.998 0.377 1.00 0.00 C ATOM 707 O LYS A 44 5.661 -6.892 0.183 1.00 0.00 O ATOM 708 CB LYS A 44 7.706 -9.187 1.241 1.00 0.00 C ATOM 709 CG LYS A 44 8.243 -10.571 0.927 1.00 0.00 C ATOM 710 CD LYS A 44 8.041 -11.508 2.102 1.00 0.00 C ATOM 711 CE LYS A 44 6.560 -11.759 2.350 1.00 0.00 C ATOM 712 NZ LYS A 44 6.321 -12.607 3.547 1.00 0.00 N ATOM 0 H LYS A 44 9.691 -8.265 0.059 1.00 0.00 H new ATOM 0 HA LYS A 44 7.018 -8.801 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.356 -8.712 1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.722 -9.283 1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.739 -10.970 0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.304 -10.508 0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.547 -12.454 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.496 -11.080 2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.049 -10.805 2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.124 -12.240 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.299 -12.749 3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.785 -13.529 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.712 -12.138 4.389 1.00 0.00 H new ATOM 726 N LYS A 45 7.601 -6.012 0.883 1.00 0.00 N ATOM 727 CA LYS A 45 6.988 -4.749 1.271 1.00 0.00 C ATOM 728 C LYS A 45 6.497 -3.996 0.051 1.00 0.00 C ATOM 729 O LYS A 45 5.465 -3.332 0.099 1.00 0.00 O ATOM 730 CB LYS A 45 7.952 -3.887 2.086 1.00 0.00 C ATOM 731 CG LYS A 45 8.160 -4.409 3.496 1.00 0.00 C ATOM 732 CD LYS A 45 6.828 -4.730 4.139 1.00 0.00 C ATOM 733 CE LYS A 45 6.973 -5.260 5.551 1.00 0.00 C ATOM 734 NZ LYS A 45 5.653 -5.611 6.139 1.00 0.00 N ATOM 0 H LYS A 45 8.609 -6.062 1.033 1.00 0.00 H new ATOM 0 HA LYS A 45 6.131 -4.977 1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.913 -3.843 1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.569 -2.868 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.785 -5.302 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.689 -3.666 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.211 -3.832 4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.304 -5.467 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.616 -6.140 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.462 -4.511 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.796 -6.168 7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.133 -4.740 6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.106 -6.170 5.454 1.00 0.00 H new ATOM 748 N PHE A 46 7.233 -4.112 -1.044 1.00 0.00 N ATOM 749 CA PHE A 46 6.808 -3.532 -2.311 1.00 0.00 C ATOM 750 C PHE A 46 5.506 -4.186 -2.765 1.00 0.00 C ATOM 751 O PHE A 46 4.601 -3.523 -3.277 1.00 0.00 O ATOM 752 CB PHE A 46 7.894 -3.708 -3.375 1.00 0.00 C ATOM 753 CG PHE A 46 7.571 -3.031 -4.672 1.00 0.00 C ATOM 754 CD1 PHE A 46 7.846 -1.685 -4.849 1.00 0.00 C ATOM 755 CD2 PHE A 46 6.992 -3.737 -5.713 1.00 0.00 C ATOM 756 CE1 PHE A 46 7.548 -1.055 -6.040 1.00 0.00 C ATOM 757 CE2 PHE A 46 6.692 -3.113 -6.907 1.00 0.00 C ATOM 758 CZ PHE A 46 6.969 -1.771 -7.070 1.00 0.00 C ATOM 0 H PHE A 46 8.127 -4.602 -1.082 1.00 0.00 H new ATOM 0 HA PHE A 46 6.640 -2.464 -2.172 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.835 -3.313 -2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 46 8.045 -4.772 -3.557 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.299 -1.122 -4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.773 -4.787 -5.589 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.767 -0.005 -6.167 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.241 -3.674 -7.712 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.733 -1.280 -8.003 1.00 0.00 H new ATOM 768 N LYS A 47 5.417 -5.493 -2.562 1.00 0.00 N ATOM 769 CA LYS A 47 4.215 -6.240 -2.899 1.00 0.00 C ATOM 770 C LYS A 47 3.045 -5.795 -2.016 1.00 0.00 C ATOM 771 O LYS A 47 1.931 -5.577 -2.504 1.00 0.00 O ATOM 772 CB LYS A 47 4.472 -7.740 -2.729 1.00 0.00 C ATOM 773 CG LYS A 47 3.336 -8.621 -3.220 1.00 0.00 C ATOM 774 CD LYS A 47 3.678 -10.095 -3.081 1.00 0.00 C ATOM 775 CE LYS A 47 2.614 -10.980 -3.713 1.00 0.00 C ATOM 776 NZ LYS A 47 3.025 -12.409 -3.735 1.00 0.00 N ATOM 0 H LYS A 47 6.166 -6.059 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 47 3.955 -6.041 -3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.382 -8.005 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.652 -7.950 -1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.431 -8.401 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.121 -8.393 -4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.641 -10.291 -3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.781 -10.347 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.681 -10.879 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.418 -10.643 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.274 -12.980 -4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.902 -12.510 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.187 -12.739 -2.762 1.00 0.00 H new ATOM 790 N GLU A 48 3.316 -5.640 -0.720 1.00 0.00 N ATOM 791 CA GLU A 48 2.288 -5.248 0.239 1.00 0.00 C ATOM 792 C GLU A 48 1.786 -3.826 -0.017 1.00 0.00 C ATOM 793 O GLU A 48 0.588 -3.576 0.036 1.00 0.00 O ATOM 794 CB GLU A 48 2.794 -5.380 1.683 1.00 0.00 C ATOM 795 CG GLU A 48 3.110 -6.813 2.089 1.00 0.00 C ATOM 796 CD GLU A 48 3.270 -6.985 3.588 1.00 0.00 C ATOM 797 OE1 GLU A 48 4.401 -6.832 4.100 1.00 0.00 O ATOM 798 OE2 GLU A 48 2.262 -7.290 4.262 1.00 0.00 O ATOM 0 H GLU A 48 4.240 -5.780 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 48 1.450 -5.931 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.690 -4.771 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.042 -4.976 2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.313 -7.468 1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.027 -7.131 1.593 1.00 0.00 H new ATOM 805 N VAL A 49 2.692 -2.895 -0.305 1.00 0.00 N ATOM 806 CA VAL A 49 2.279 -1.522 -0.583 1.00 0.00 C ATOM 807 C VAL A 49 1.467 -1.449 -1.873 1.00 0.00 C ATOM 808 O VAL A 49 0.500 -0.700 -1.955 1.00 0.00 O ATOM 809 CB VAL A 49 3.470 -0.526 -0.636 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.514 -0.949 -1.643 1.00 0.00 C ATOM 811 CG2 VAL A 49 2.986 0.885 -0.944 1.00 0.00 C ATOM 0 H VAL A 49 3.697 -3.060 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 49 1.651 -1.217 0.254 1.00 0.00 H new ATOM 0 HB VAL A 49 3.935 -0.532 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.329 -0.225 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.903 -1.931 -1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.065 -0.996 -2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.839 1.563 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.480 0.893 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.293 1.209 -0.168 1.00 0.00 H new ATOM 821 N ALA A 50 1.842 -2.244 -2.868 1.00 0.00 N ATOM 822 CA ALA A 50 1.154 -2.225 -4.154 1.00 0.00 C ATOM 823 C ALA A 50 -0.311 -2.634 -4.014 1.00 0.00 C ATOM 824 O ALA A 50 -1.206 -1.974 -4.546 1.00 0.00 O ATOM 825 CB ALA A 50 1.856 -3.145 -5.135 1.00 0.00 C ATOM 0 H ALA A 50 2.615 -2.907 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 50 1.182 -1.202 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.334 -3.123 -6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.884 -2.811 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.855 -4.163 -4.744 1.00 0.00 H new ATOM 831 N GLU A 51 -0.559 -3.701 -3.266 1.00 0.00 N ATOM 832 CA GLU A 51 -1.923 -4.178 -3.063 1.00 0.00 C ATOM 833 C GLU A 51 -2.690 -3.224 -2.156 1.00 0.00 C ATOM 834 O GLU A 51 -3.877 -2.958 -2.369 1.00 0.00 O ATOM 835 CB GLU A 51 -1.921 -5.590 -2.465 1.00 0.00 C ATOM 836 CG GLU A 51 -1.209 -5.694 -1.125 1.00 0.00 C ATOM 837 CD GLU A 51 -1.189 -7.105 -0.582 1.00 0.00 C ATOM 838 OE1 GLU A 51 -0.471 -7.953 -1.152 1.00 0.00 O ATOM 839 OE2 GLU A 51 -1.888 -7.379 0.415 1.00 0.00 O ATOM 0 H GLU A 51 0.159 -4.250 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.419 -4.215 -4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.952 -5.923 -2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.446 -6.272 -3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.185 -5.337 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.700 -5.039 -0.405 1.00 0.00 H new ATOM 846 N ALA A 52 -1.993 -2.696 -1.165 1.00 0.00 N ATOM 847 CA ALA A 52 -2.605 -1.858 -0.151 1.00 0.00 C ATOM 848 C ALA A 52 -2.915 -0.458 -0.674 1.00 0.00 C ATOM 849 O ALA A 52 -3.956 0.117 -0.356 1.00 0.00 O ATOM 850 CB ALA A 52 -1.701 -1.800 1.062 1.00 0.00 C ATOM 0 H ALA A 52 -0.990 -2.836 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.560 -2.301 0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.158 -1.171 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.558 -2.806 1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.736 -1.381 0.777 1.00 0.00 H new ATOM 856 N TYR A 53 -2.018 0.094 -1.479 1.00 0.00 N ATOM 857 CA TYR A 53 -2.243 1.416 -2.040 1.00 0.00 C ATOM 858 C TYR A 53 -3.329 1.339 -3.104 1.00 0.00 C ATOM 859 O TYR A 53 -4.131 2.260 -3.246 1.00 0.00 O ATOM 860 CB TYR A 53 -0.942 2.018 -2.609 1.00 0.00 C ATOM 861 CG TYR A 53 -0.794 1.933 -4.119 1.00 0.00 C ATOM 862 CD1 TYR A 53 -1.305 2.930 -4.945 1.00 0.00 C ATOM 863 CD2 TYR A 53 -0.145 0.862 -4.715 1.00 0.00 C ATOM 864 CE1 TYR A 53 -1.177 2.856 -6.316 1.00 0.00 C ATOM 865 CE2 TYR A 53 -0.011 0.783 -6.089 1.00 0.00 C ATOM 866 CZ TYR A 53 -0.530 1.782 -6.884 1.00 0.00 C ATOM 867 OH TYR A 53 -0.403 1.707 -8.253 1.00 0.00 O ATOM 0 H TYR A 53 -1.140 -0.346 -1.755 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.576 2.081 -1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.886 3.066 -2.313 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.094 1.511 -2.148 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.811 3.776 -4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.263 0.077 -4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.583 3.637 -6.941 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.498 -0.058 -6.537 1.00 0.00 H new ATOM 0 HH TYR A 53 0.080 0.888 -8.492 1.00 0.00 H new ATOM 877 N GLU A 54 -3.356 0.229 -3.840 1.00 0.00 N ATOM 878 CA GLU A 54 -4.356 0.031 -4.880 1.00 0.00 C ATOM 879 C GLU A 54 -5.759 0.027 -4.281 1.00 0.00 C ATOM 880 O GLU A 54 -6.655 0.715 -4.772 1.00 0.00 O ATOM 881 CB GLU A 54 -4.113 -1.285 -5.620 1.00 0.00 C ATOM 882 CG GLU A 54 -4.995 -1.456 -6.846 1.00 0.00 C ATOM 883 CD GLU A 54 -5.049 -2.886 -7.334 1.00 0.00 C ATOM 884 OE1 GLU A 54 -4.036 -3.379 -7.871 1.00 0.00 O ATOM 885 OE2 GLU A 54 -6.113 -3.526 -7.183 1.00 0.00 O ATOM 0 H GLU A 54 -2.698 -0.543 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.272 0.856 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.067 -1.336 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.287 -2.116 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.005 -1.119 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.623 -0.817 -7.647 1.00 0.00 H new ATOM 892 N VAL A 55 -5.941 -0.737 -3.209 1.00 0.00 N ATOM 893 CA VAL A 55 -7.249 -0.849 -2.583 1.00 0.00 C ATOM 894 C VAL A 55 -7.684 0.489 -1.981 1.00 0.00 C ATOM 895 O VAL A 55 -8.845 0.863 -2.076 1.00 0.00 O ATOM 896 CB VAL A 55 -7.302 -1.976 -1.516 1.00 0.00 C ATOM 897 CG1 VAL A 55 -6.360 -1.705 -0.359 1.00 0.00 C ATOM 898 CG2 VAL A 55 -8.723 -2.175 -1.010 1.00 0.00 C ATOM 0 H VAL A 55 -5.205 -1.283 -2.760 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.952 -1.122 -3.370 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.971 -2.894 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.429 -2.518 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.338 -1.635 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.636 -0.767 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.736 -2.969 -0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.082 -1.249 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.371 -2.449 -1.843 1.00 0.00 H new ATOM 908 N LEU A 56 -6.743 1.217 -1.388 1.00 0.00 N ATOM 909 CA LEU A 56 -7.048 2.509 -0.779 1.00 0.00 C ATOM 910 C LEU A 56 -7.307 3.584 -1.835 1.00 0.00 C ATOM 911 O LEU A 56 -8.077 4.520 -1.602 1.00 0.00 O ATOM 912 CB LEU A 56 -5.909 2.935 0.155 1.00 0.00 C ATOM 913 CG LEU A 56 -6.034 4.335 0.773 1.00 0.00 C ATOM 914 CD1 LEU A 56 -7.314 4.468 1.585 1.00 0.00 C ATOM 915 CD2 LEU A 56 -4.826 4.640 1.639 1.00 0.00 C ATOM 0 H LEU A 56 -5.765 0.936 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.962 2.396 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.837 2.208 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.973 2.887 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.076 5.058 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.373 5.470 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.175 4.296 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.312 3.733 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.929 5.636 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.757 3.903 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.923 4.600 1.030 1.00 0.00 H new ATOM 927 N SER A 57 -6.700 3.430 -3.001 1.00 0.00 N ATOM 928 CA SER A 57 -6.812 4.431 -4.049 1.00 0.00 C ATOM 929 C SER A 57 -8.154 4.299 -4.768 1.00 0.00 C ATOM 930 O SER A 57 -8.627 5.241 -5.407 1.00 0.00 O ATOM 931 CB SER A 57 -5.648 4.279 -5.037 1.00 0.00 C ATOM 932 OG SER A 57 -5.594 5.351 -5.962 1.00 0.00 O ATOM 0 H SER A 57 -6.126 2.623 -3.245 1.00 0.00 H new ATOM 0 HA SER A 57 -6.764 5.424 -3.602 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.709 4.228 -4.486 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.752 3.338 -5.578 1.00 0.00 H new ATOM 0 HG SER A 57 -4.839 5.218 -6.573 1.00 0.00 H new ATOM 938 N ASP A 58 -8.776 3.129 -4.647 1.00 0.00 N ATOM 939 CA ASP A 58 -10.069 2.889 -5.275 1.00 0.00 C ATOM 940 C ASP A 58 -11.157 2.747 -4.222 1.00 0.00 C ATOM 941 O ASP A 58 -11.098 1.864 -3.368 1.00 0.00 O ATOM 942 CB ASP A 58 -10.052 1.620 -6.136 1.00 0.00 C ATOM 943 CG ASP A 58 -9.140 1.706 -7.341 1.00 0.00 C ATOM 944 OD1 ASP A 58 -9.164 2.747 -8.037 1.00 0.00 O ATOM 945 OD2 ASP A 58 -8.429 0.710 -7.621 1.00 0.00 O ATOM 0 H ASP A 58 -8.406 2.336 -4.122 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.277 3.748 -5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.742 0.778 -5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.066 1.410 -6.475 1.00 0.00 H new ATOM 950 N LYS A 59 -12.167 3.599 -4.307 1.00 0.00 N ATOM 951 CA LYS A 59 -13.308 3.513 -3.405 1.00 0.00 C ATOM 952 C LYS A 59 -14.074 2.240 -3.695 1.00 0.00 C ATOM 953 O LYS A 59 -14.640 1.611 -2.799 1.00 0.00 O ATOM 954 CB LYS A 59 -14.247 4.719 -3.546 1.00 0.00 C ATOM 955 CG LYS A 59 -13.617 6.043 -3.147 1.00 0.00 C ATOM 956 CD LYS A 59 -12.868 6.684 -4.301 1.00 0.00 C ATOM 957 CE LYS A 59 -13.817 7.328 -5.295 1.00 0.00 C ATOM 958 NZ LYS A 59 -13.084 8.070 -6.352 1.00 0.00 N ATOM 0 H LYS A 59 -12.221 4.356 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.929 3.509 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.583 4.786 -4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.133 4.551 -2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.393 6.723 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.932 5.883 -2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.179 7.436 -3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.266 5.930 -4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.439 6.560 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.487 8.009 -4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.765 8.496 -7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.510 8.819 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.464 7.415 -6.869 1.00 0.00 H new ATOM 972 N HIS A 60 -14.088 1.877 -4.967 1.00 0.00 N ATOM 973 CA HIS A 60 -14.724 0.639 -5.401 1.00 0.00 C ATOM 974 C HIS A 60 -13.937 -0.579 -4.924 1.00 0.00 C ATOM 975 O HIS A 60 -14.510 -1.621 -4.636 1.00 0.00 O ATOM 976 CB HIS A 60 -14.882 0.603 -6.923 1.00 0.00 C ATOM 977 CG HIS A 60 -15.867 1.600 -7.449 1.00 0.00 C ATOM 978 ND1 HIS A 60 -17.175 1.660 -7.023 1.00 0.00 N ATOM 979 CD2 HIS A 60 -15.727 2.585 -8.367 1.00 0.00 C ATOM 980 CE1 HIS A 60 -17.798 2.634 -7.655 1.00 0.00 C ATOM 981 NE2 HIS A 60 -16.941 3.215 -8.476 1.00 0.00 N ATOM 0 H HIS A 60 -13.666 2.421 -5.720 1.00 0.00 H new ATOM 0 HA HIS A 60 -15.717 0.607 -4.952 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -13.912 0.786 -7.385 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -15.195 -0.397 -7.224 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -17.596 1.046 -6.326 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -14.827 2.829 -8.912 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -18.834 2.911 -7.524 1.00 0.00 H new ATOM 990 N LYS A 61 -12.622 -0.446 -4.841 1.00 0.00 N ATOM 991 CA LYS A 61 -11.777 -1.537 -4.367 1.00 0.00 C ATOM 992 C LYS A 61 -11.979 -1.724 -2.871 1.00 0.00 C ATOM 993 O LYS A 61 -12.074 -2.846 -2.377 1.00 0.00 O ATOM 994 CB LYS A 61 -10.310 -1.235 -4.672 1.00 0.00 C ATOM 995 CG LYS A 61 -9.408 -2.458 -4.726 1.00 0.00 C ATOM 996 CD LYS A 61 -9.781 -3.387 -5.873 1.00 0.00 C ATOM 997 CE LYS A 61 -9.780 -2.664 -7.215 1.00 0.00 C ATOM 998 NZ LYS A 61 -8.437 -2.137 -7.593 1.00 0.00 N ATOM 0 H LYS A 61 -12.116 0.403 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.054 -2.457 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.251 -0.715 -5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.928 -0.552 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.371 -2.140 -4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.475 -3.000 -3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.078 -4.219 -5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.768 -3.811 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.127 -3.348 -7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.491 -1.838 -7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.301 -2.237 -8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.372 -1.133 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.700 -2.674 -7.093 1.00 0.00 H new ATOM 1012 N ARG A 62 -12.059 -0.603 -2.161 1.00 0.00 N ATOM 1013 CA ARG A 62 -12.315 -0.616 -0.729 1.00 0.00 C ATOM 1014 C ARG A 62 -13.668 -1.234 -0.408 1.00 0.00 C ATOM 1015 O ARG A 62 -13.787 -2.015 0.533 1.00 0.00 O ATOM 1016 CB ARG A 62 -12.247 0.798 -0.162 1.00 0.00 C ATOM 1017 CG ARG A 62 -10.835 1.275 0.135 1.00 0.00 C ATOM 1018 CD ARG A 62 -10.839 2.701 0.650 1.00 0.00 C ATOM 1019 NE ARG A 62 -11.839 2.881 1.695 1.00 0.00 N ATOM 1020 CZ ARG A 62 -12.801 3.794 1.644 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -12.820 4.695 0.669 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -13.733 3.816 2.583 1.00 0.00 N ATOM 0 H ARG A 62 -11.949 0.330 -2.559 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.542 -1.229 -0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.711 1.485 -0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.835 0.840 0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.374 0.619 0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.229 1.213 -0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.853 2.952 1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.041 3.387 -0.173 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.797 2.271 2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.093 4.688 -0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.562 5.394 0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.710 3.134 3.341 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.475 4.515 2.549 1.00 0.00 H new ATOM 1036 N GLU A 63 -14.692 -0.891 -1.183 1.00 0.00 N ATOM 1037 CA GLU A 63 -16.018 -1.440 -0.938 1.00 0.00 C ATOM 1038 C GLU A 63 -16.031 -2.937 -1.232 1.00 0.00 C ATOM 1039 O GLU A 63 -16.739 -3.691 -0.574 1.00 0.00 O ATOM 1040 CB GLU A 63 -17.092 -0.721 -1.761 1.00 0.00 C ATOM 1041 CG GLU A 63 -17.059 -1.042 -3.240 1.00 0.00 C ATOM 1042 CD GLU A 63 -18.250 -0.484 -3.980 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -19.391 -0.733 -3.542 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -18.052 0.199 -5.007 1.00 0.00 O ATOM 0 H GLU A 63 -14.631 -0.247 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.254 -1.282 0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -18.073 -0.984 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.974 0.355 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.144 -0.640 -3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.027 -2.123 -3.373 1.00 0.00 H new ATOM 1051 N ILE A 64 -15.239 -3.366 -2.212 1.00 0.00 N ATOM 1052 CA ILE A 64 -15.093 -4.788 -2.505 1.00 0.00 C ATOM 1053 C ILE A 64 -14.427 -5.496 -1.327 1.00 0.00 C ATOM 1054 O ILE A 64 -14.866 -6.560 -0.902 1.00 0.00 O ATOM 1055 CB ILE A 64 -14.283 -5.027 -3.804 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -15.096 -4.582 -5.026 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -13.881 -6.492 -3.938 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -16.434 -5.284 -5.169 1.00 0.00 C ATOM 0 H ILE A 64 -14.691 -2.751 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 64 -16.089 -5.202 -2.660 1.00 0.00 H new ATOM 0 HB ILE A 64 -13.372 -4.431 -3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -15.267 -3.507 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.507 -4.760 -5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.314 -6.631 -4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.266 -6.780 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.776 -7.114 -3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -16.946 -4.913 -6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.273 -6.358 -5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.045 -5.086 -4.288 1.00 0.00 H new ATOM 1070 N TYR A 65 -13.384 -4.878 -0.790 1.00 0.00 N ATOM 1071 CA TYR A 65 -12.714 -5.379 0.404 1.00 0.00 C ATOM 1072 C TYR A 65 -13.707 -5.455 1.564 1.00 0.00 C ATOM 1073 O TYR A 65 -13.686 -6.391 2.362 1.00 0.00 O ATOM 1074 CB TYR A 65 -11.544 -4.447 0.751 1.00 0.00 C ATOM 1075 CG TYR A 65 -10.688 -4.898 1.917 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -11.075 -4.660 3.232 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -9.478 -5.544 1.700 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -10.285 -5.058 4.293 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -8.679 -5.943 2.757 1.00 0.00 C ATOM 1080 CZ TYR A 65 -9.087 -5.697 4.052 1.00 0.00 C ATOM 1081 OH TYR A 65 -8.297 -6.095 5.107 1.00 0.00 O ATOM 0 H TYR A 65 -12.980 -4.020 -1.166 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.328 -6.381 0.220 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.908 -4.344 -0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.942 -3.457 0.974 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.010 -4.155 3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.155 -5.738 0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -10.604 -4.869 5.307 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.741 -6.444 2.569 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.489 -6.531 4.764 1.00 0.00 H new ATOM 1091 N ASP A 66 -14.593 -4.471 1.619 1.00 0.00 N ATOM 1092 CA ASP A 66 -15.563 -4.348 2.700 1.00 0.00 C ATOM 1093 C ASP A 66 -16.662 -5.404 2.610 1.00 0.00 C ATOM 1094 O ASP A 66 -16.987 -6.062 3.602 1.00 0.00 O ATOM 1095 CB ASP A 66 -16.191 -2.954 2.638 1.00 0.00 C ATOM 1096 CG ASP A 66 -17.237 -2.718 3.704 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -16.865 -2.339 4.835 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -18.440 -2.881 3.407 1.00 0.00 O ATOM 0 H ASP A 66 -14.661 -3.735 0.916 1.00 0.00 H new ATOM 0 HA ASP A 66 -15.041 -4.500 3.645 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.405 -2.205 2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.644 -2.811 1.657 1.00 0.00 H new ATOM 1103 N ARG A 67 -17.226 -5.578 1.423 1.00 0.00 N ATOM 1104 CA ARG A 67 -18.346 -6.494 1.248 1.00 0.00 C ATOM 1105 C ARG A 67 -17.902 -7.923 0.939 1.00 0.00 C ATOM 1106 O ARG A 67 -18.516 -8.878 1.413 1.00 0.00 O ATOM 1107 CB ARG A 67 -19.265 -5.977 0.145 1.00 0.00 C ATOM 1108 CG ARG A 67 -18.625 -5.958 -1.233 1.00 0.00 C ATOM 1109 CD ARG A 67 -19.267 -4.910 -2.111 1.00 0.00 C ATOM 1110 NE ARG A 67 -20.707 -5.120 -2.238 1.00 0.00 N ATOM 1111 CZ ARG A 67 -21.575 -4.173 -2.591 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -21.155 -2.951 -2.905 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -22.870 -4.450 -2.628 1.00 0.00 N ATOM 0 H ARG A 67 -16.930 -5.101 0.572 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.884 -6.532 2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -20.160 -6.599 0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.588 -4.967 0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.558 -5.756 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.725 -6.939 -1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.079 -3.921 -1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.807 -4.932 -3.099 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.072 -6.053 -2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.159 -2.731 -2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -21.828 -2.234 -3.174 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.199 -5.385 -2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -23.538 -3.728 -2.898 1.00 0.00 H new ATOM 1127 N TYR A 68 -16.841 -8.075 0.155 1.00 0.00 N ATOM 1128 CA TYR A 68 -16.426 -9.394 -0.301 1.00 0.00 C ATOM 1129 C TYR A 68 -15.342 -9.959 0.611 1.00 0.00 C ATOM 1130 O TYR A 68 -14.984 -11.129 0.514 1.00 0.00 O ATOM 1131 CB TYR A 68 -15.938 -9.330 -1.754 1.00 0.00 C ATOM 1132 CG TYR A 68 -15.851 -10.680 -2.433 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -16.999 -11.336 -2.861 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -14.627 -11.297 -2.651 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -16.929 -12.567 -3.483 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -14.548 -12.527 -3.273 1.00 0.00 C ATOM 1137 CZ TYR A 68 -15.701 -13.156 -3.686 1.00 0.00 C ATOM 1138 OH TYR A 68 -15.623 -14.383 -4.302 1.00 0.00 O ATOM 0 H TYR A 68 -16.257 -7.307 -0.176 1.00 0.00 H new ATOM 0 HA TYR A 68 -17.287 -10.062 -0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -16.611 -8.690 -2.325 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -14.955 -8.859 -1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -17.963 -10.875 -2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.721 -10.806 -2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -17.831 -13.064 -3.808 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -13.587 -12.993 -3.435 1.00 0.00 H new ATOM 0 HH TYR A 68 -14.684 -14.656 -4.369 1.00 0.00 H new ATOM 1148 N GLY A 69 -14.831 -9.123 1.505 1.00 0.00 N ATOM 1149 CA GLY A 69 -13.859 -9.580 2.482 1.00 0.00 C ATOM 1150 C GLY A 69 -14.442 -10.628 3.399 1.00 0.00 C ATOM 1151 O GLY A 69 -13.846 -11.681 3.636 1.00 0.00 O ATOM 0 H GLY A 69 -15.072 -8.134 1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.990 -9.989 1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.510 -8.733 3.072 1.00 0.00 H new ATOM 1155 N ARG A 70 -15.622 -10.316 3.907 1.00 0.00 N ATOM 1156 CA ARG A 70 -16.367 -11.212 4.789 1.00 0.00 C ATOM 1157 C ARG A 70 -16.758 -12.506 4.072 1.00 0.00 C ATOM 1158 O ARG A 70 -16.963 -13.540 4.709 1.00 0.00 O ATOM 1159 CB ARG A 70 -17.626 -10.512 5.312 1.00 0.00 C ATOM 1160 CG ARG A 70 -17.342 -9.228 6.079 1.00 0.00 C ATOM 1161 CD ARG A 70 -16.519 -9.494 7.329 1.00 0.00 C ATOM 1162 NE ARG A 70 -16.201 -8.266 8.058 1.00 0.00 N ATOM 1163 CZ ARG A 70 -15.647 -8.252 9.270 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -15.378 -9.401 9.883 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -15.366 -7.100 9.873 1.00 0.00 N ATOM 0 H ARG A 70 -16.096 -9.432 3.722 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.717 -11.469 5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -18.280 -10.284 4.470 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -18.169 -11.199 5.961 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -16.810 -8.528 5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -18.283 -8.753 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -17.067 -10.171 7.984 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.594 -9.999 7.051 1.00 0.00 H new ATOM 0 HE ARG A 70 -16.415 -7.373 7.615 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.596 -10.286 9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.954 -9.397 10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.575 -6.217 9.408 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.942 -7.100 10.801 1.00 0.00 H new ATOM 1179 N GLU A 71 -16.876 -12.431 2.750 1.00 0.00 N ATOM 1180 CA GLU A 71 -17.311 -13.564 1.941 1.00 0.00 C ATOM 1181 C GLU A 71 -16.216 -14.628 1.851 1.00 0.00 C ATOM 1182 O GLU A 71 -16.345 -15.679 2.515 1.00 0.00 O ATOM 1183 CB GLU A 71 -17.702 -13.096 0.536 1.00 0.00 C ATOM 1184 CG GLU A 71 -18.683 -11.933 0.522 1.00 0.00 C ATOM 1185 CD GLU A 71 -19.957 -12.231 1.279 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -20.808 -12.965 0.745 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -20.117 -11.731 2.411 1.00 0.00 O ATOM 0 H GLU A 71 -16.674 -11.588 2.212 1.00 0.00 H new ATOM 0 HA GLU A 71 -18.181 -14.008 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -16.800 -12.804 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.140 -13.934 -0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -18.205 -11.055 0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -18.929 -11.684 -0.510 1.00 0.00 H new TER 1194 GLU A 71