USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 418 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 GLU N :NH3+ 173:sc= -0.401 (180deg=-0.516) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 150:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.749 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -121:sc= -0.203 (180deg=-0.793) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= -0.908 (180deg=-2.07!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 58:sc= 0.848 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 34 SER OG : rot 180:sc= 0.162 USER MOD Single : A 37 GLN : amide:sc= -4.15! C(o=-4.1!,f=-4.2!) USER MOD Single : A 40 LYS NZ :NH3+ 156:sc= -0.512 (180deg=-1.66!) USER MOD Single : A 45 LYS NZ :NH3+ 147:sc= -0.137 (180deg=-0.8) USER MOD Single : A 47 THR OG1 : rot 30:sc= 0.0298 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00352 USER MOD Single : A 52 THR OG1 : rot -108:sc= 0.0981! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.173 -28.595 12.660 1.00 0.00 N ATOM 2 CA GLU A 1 1.678 -27.396 13.386 1.00 0.00 C ATOM 3 C GLU A 1 1.860 -26.245 12.402 1.00 0.00 C ATOM 4 O GLU A 1 2.573 -25.282 12.684 1.00 0.00 O ATOM 5 CB GLU A 1 3.016 -27.731 14.049 1.00 0.00 C ATOM 6 CG GLU A 1 2.776 -28.647 15.250 1.00 0.00 C ATOM 7 CD GLU A 1 4.107 -29.017 15.896 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.794 -29.863 15.349 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.420 -28.447 16.929 1.00 0.00 O ATOM 0 H1 GLU A 1 1.161 -29.411 13.304 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.209 -28.412 12.316 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.796 -28.800 11.853 1.00 0.00 H new ATOM 0 HA GLU A 1 0.961 -27.101 14.152 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.677 -28.219 13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.514 -26.816 14.370 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.136 -28.147 15.977 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.253 -29.549 14.932 1.00 0.00 H new ATOM 18 N VAL A 2 1.211 -26.351 11.247 1.00 0.00 N ATOM 19 CA VAL A 2 1.309 -25.312 10.229 1.00 0.00 C ATOM 20 C VAL A 2 -0.079 -24.855 9.794 1.00 0.00 C ATOM 21 O VAL A 2 -1.081 -25.500 10.105 1.00 0.00 O ATOM 22 CB VAL A 2 2.078 -25.840 9.018 1.00 0.00 C ATOM 23 CG1 VAL A 2 3.561 -25.968 9.371 1.00 0.00 C ATOM 24 CG2 VAL A 2 1.528 -27.213 8.627 1.00 0.00 C ATOM 0 H VAL A 2 0.616 -27.140 10.994 1.00 0.00 H new ATOM 0 HA VAL A 2 1.841 -24.461 10.654 1.00 0.00 H new ATOM 0 HB VAL A 2 1.962 -25.149 8.183 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.109 -26.345 8.508 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.954 -24.991 9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.678 -26.660 10.205 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.075 -27.592 7.763 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.646 -27.903 9.462 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.471 -27.124 8.376 1.00 0.00 H new ATOM 34 N ILE A 3 -0.132 -23.739 9.074 1.00 0.00 N ATOM 35 CA ILE A 3 -1.406 -23.208 8.604 1.00 0.00 C ATOM 36 C ILE A 3 -1.552 -23.418 7.098 1.00 0.00 C ATOM 37 O ILE A 3 -0.609 -23.835 6.425 1.00 0.00 O ATOM 38 CB ILE A 3 -1.507 -21.715 8.943 1.00 0.00 C ATOM 39 CG1 ILE A 3 -1.111 -20.871 7.728 1.00 0.00 C ATOM 40 CG2 ILE A 3 -0.565 -21.392 10.104 1.00 0.00 C ATOM 41 CD1 ILE A 3 -0.932 -19.415 8.160 1.00 0.00 C ATOM 0 H ILE A 3 0.684 -23.189 8.805 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.213 -23.742 9.105 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.535 -21.485 9.222 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.186 -21.250 7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.878 -20.942 6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.636 -20.332 10.346 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.846 -21.983 10.976 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.459 -21.631 9.819 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.650 -18.812 7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.868 -19.041 8.574 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.150 -19.354 8.917 1.00 0.00 H new ATOM 53 N LYS A 4 -2.741 -23.130 6.578 1.00 0.00 N ATOM 54 CA LYS A 4 -3.001 -23.293 5.152 1.00 0.00 C ATOM 55 C LYS A 4 -3.402 -21.961 4.525 1.00 0.00 C ATOM 56 O LYS A 4 -4.465 -21.419 4.827 1.00 0.00 O ATOM 57 CB LYS A 4 -4.119 -24.315 4.942 1.00 0.00 C ATOM 58 CG LYS A 4 -4.044 -24.875 3.520 1.00 0.00 C ATOM 59 CD LYS A 4 -5.006 -26.057 3.387 1.00 0.00 C ATOM 60 CE LYS A 4 -5.728 -25.980 2.041 1.00 0.00 C ATOM 61 NZ LYS A 4 -6.833 -26.980 2.012 1.00 0.00 N ATOM 0 H LYS A 4 -3.535 -22.785 7.118 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.089 -23.647 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.027 -25.124 5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.089 -23.847 5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.301 -24.100 2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.026 -25.194 3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.458 -26.996 3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.730 -26.043 4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.127 -24.977 1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.027 -26.173 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.324 -26.928 1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.441 -27.935 2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.506 -26.776 2.778 1.00 0.00 H new ATOM 75 N LYS A 5 -2.546 -21.438 3.653 1.00 0.00 N ATOM 76 CA LYS A 5 -2.826 -20.168 2.993 1.00 0.00 C ATOM 77 C LYS A 5 -2.908 -20.350 1.481 1.00 0.00 C ATOM 78 O LYS A 5 -1.888 -20.509 0.809 1.00 0.00 O ATOM 79 CB LYS A 5 -1.732 -19.153 3.325 1.00 0.00 C ATOM 80 CG LYS A 5 -1.901 -18.672 4.768 1.00 0.00 C ATOM 81 CD LYS A 5 -2.879 -17.497 4.802 1.00 0.00 C ATOM 82 CE LYS A 5 -3.838 -17.663 5.982 1.00 0.00 C ATOM 83 NZ LYS A 5 -4.686 -16.444 6.108 1.00 0.00 N ATOM 0 H LYS A 5 -1.660 -21.869 3.389 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.786 -19.801 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.749 -19.606 3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.786 -18.307 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.271 -19.485 5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.937 -18.369 5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.333 -16.558 4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.440 -17.450 3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.465 -18.542 5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.276 -17.824 6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.338 -16.556 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.080 -15.614 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.233 -16.309 5.234 1.00 0.00 H new ATOM 97 N ASP A 6 -4.127 -20.321 0.952 1.00 0.00 N ATOM 98 CA ASP A 6 -4.331 -20.479 -0.483 1.00 0.00 C ATOM 99 C ASP A 6 -5.116 -19.298 -1.045 1.00 0.00 C ATOM 100 O ASP A 6 -6.150 -18.910 -0.501 1.00 0.00 O ATOM 101 CB ASP A 6 -5.086 -21.779 -0.766 1.00 0.00 C ATOM 102 CG ASP A 6 -6.524 -21.663 -0.275 1.00 0.00 C ATOM 103 OD1 ASP A 6 -7.408 -21.557 -1.110 1.00 0.00 O ATOM 104 OD2 ASP A 6 -6.722 -21.683 0.929 1.00 0.00 O ATOM 0 H ASP A 6 -4.983 -20.190 1.491 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.355 -20.516 -0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.074 -21.991 -1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.590 -22.613 -0.270 1.00 0.00 H new ATOM 109 N THR A 7 -4.615 -18.730 -2.136 1.00 0.00 N ATOM 110 CA THR A 7 -5.270 -17.592 -2.769 1.00 0.00 C ATOM 111 C THR A 7 -5.981 -18.031 -4.049 1.00 0.00 C ATOM 112 O THR A 7 -5.762 -19.142 -4.534 1.00 0.00 O ATOM 113 CB THR A 7 -4.240 -16.507 -3.095 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.955 -16.528 -4.487 1.00 0.00 O ATOM 115 CG2 THR A 7 -2.956 -16.767 -2.305 1.00 0.00 C ATOM 0 H THR A 7 -3.760 -19.038 -2.599 1.00 0.00 H new ATOM 0 HA THR A 7 -6.009 -17.188 -2.076 1.00 0.00 H new ATOM 0 HB THR A 7 -4.641 -15.531 -2.822 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.718 -15.625 -4.786 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.223 -15.994 -2.537 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.176 -16.749 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.553 -17.743 -2.576 1.00 0.00 H new ATOM 123 N PRO A 8 -6.823 -17.193 -4.605 1.00 0.00 N ATOM 124 CA PRO A 8 -7.572 -17.506 -5.847 1.00 0.00 C ATOM 125 C PRO A 8 -6.861 -16.969 -7.086 1.00 0.00 C ATOM 126 O PRO A 8 -6.162 -15.959 -7.020 1.00 0.00 O ATOM 127 CB PRO A 8 -8.880 -16.760 -5.618 1.00 0.00 C ATOM 128 CG PRO A 8 -8.486 -15.527 -4.860 1.00 0.00 C ATOM 129 CD PRO A 8 -7.178 -15.851 -4.116 1.00 0.00 C ATOM 0 HA PRO A 8 -7.686 -18.575 -6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.363 -16.507 -6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.587 -17.365 -5.050 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.345 -14.686 -5.539 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.268 -15.241 -4.157 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.398 -15.123 -4.341 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.319 -15.843 -3.035 1.00 0.00 H new ATOM 137 N TYR A 9 -7.026 -17.660 -8.210 1.00 0.00 N ATOM 138 CA TYR A 9 -6.372 -17.244 -9.443 1.00 0.00 C ATOM 139 C TYR A 9 -7.354 -17.219 -10.612 1.00 0.00 C ATOM 140 O TYR A 9 -7.264 -16.362 -11.491 1.00 0.00 O ATOM 141 CB TYR A 9 -5.228 -18.210 -9.752 1.00 0.00 C ATOM 142 CG TYR A 9 -4.354 -17.636 -10.836 1.00 0.00 C ATOM 143 CD1 TYR A 9 -3.555 -16.517 -10.573 1.00 0.00 C ATOM 144 CD2 TYR A 9 -4.338 -18.226 -12.102 1.00 0.00 C ATOM 145 CE1 TYR A 9 -2.740 -15.988 -11.579 1.00 0.00 C ATOM 146 CE2 TYR A 9 -3.525 -17.699 -13.109 1.00 0.00 C ATOM 147 CZ TYR A 9 -2.725 -16.579 -12.849 1.00 0.00 C ATOM 148 OH TYR A 9 -1.921 -16.059 -13.843 1.00 0.00 O ATOM 0 H TYR A 9 -7.599 -18.500 -8.291 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.986 -16.234 -9.307 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.638 -18.389 -8.853 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.629 -19.173 -10.067 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.568 -16.062 -9.593 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.954 -19.090 -12.303 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.123 -15.125 -11.377 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.513 -18.155 -14.088 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.029 -16.588 -14.661 1.00 0.00 H new ATOM 158 N LYS A 10 -8.283 -18.168 -10.623 1.00 0.00 N ATOM 159 CA LYS A 10 -9.267 -18.247 -11.698 1.00 0.00 C ATOM 160 C LYS A 10 -8.614 -18.776 -12.970 1.00 0.00 C ATOM 161 O LYS A 10 -8.864 -19.909 -13.374 1.00 0.00 O ATOM 162 CB LYS A 10 -9.873 -16.868 -11.966 1.00 0.00 C ATOM 163 CG LYS A 10 -11.252 -17.036 -12.606 1.00 0.00 C ATOM 164 CD LYS A 10 -11.744 -15.686 -13.132 1.00 0.00 C ATOM 165 CE LYS A 10 -12.949 -15.906 -14.049 1.00 0.00 C ATOM 166 NZ LYS A 10 -13.131 -14.715 -14.926 1.00 0.00 N ATOM 0 H LYS A 10 -8.376 -18.888 -9.907 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.060 -18.930 -11.392 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.958 -16.308 -11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.221 -16.294 -12.625 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.200 -17.758 -13.421 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.957 -17.431 -11.875 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.020 -15.038 -12.300 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.945 -15.183 -13.677 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.799 -16.798 -14.656 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.847 -16.073 -13.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.950 -14.865 -15.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.293 -13.872 -14.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.277 -14.576 -15.504 1.00 0.00 H new ATOM 180 N LYS A 11 -7.769 -17.949 -13.583 1.00 0.00 N ATOM 181 CA LYS A 11 -7.061 -18.332 -14.806 1.00 0.00 C ATOM 182 C LYS A 11 -6.725 -17.099 -15.637 1.00 0.00 C ATOM 183 O LYS A 11 -6.908 -17.091 -16.854 1.00 0.00 O ATOM 184 CB LYS A 11 -7.902 -19.292 -15.653 1.00 0.00 C ATOM 185 CG LYS A 11 -9.355 -18.808 -15.698 1.00 0.00 C ATOM 186 CD LYS A 11 -9.734 -18.466 -17.141 1.00 0.00 C ATOM 187 CE LYS A 11 -11.251 -18.304 -17.249 1.00 0.00 C ATOM 188 NZ LYS A 11 -11.804 -19.384 -18.115 1.00 0.00 N ATOM 0 H LYS A 11 -7.557 -17.007 -13.253 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.141 -18.835 -14.508 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.497 -19.350 -16.663 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.857 -20.297 -15.233 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.019 -19.580 -15.310 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.478 -17.932 -15.061 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.237 -17.546 -17.450 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.394 -19.253 -17.813 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.704 -18.349 -16.259 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.495 -17.327 -17.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.836 -19.275 -18.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.380 -19.321 -19.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.583 -20.311 -17.698 1.00 0.00 H new ATOM 202 N ARG A 12 -6.231 -16.059 -14.973 1.00 0.00 N ATOM 203 CA ARG A 12 -5.873 -14.828 -15.666 1.00 0.00 C ATOM 204 C ARG A 12 -5.017 -15.135 -16.891 1.00 0.00 C ATOM 205 O ARG A 12 -3.875 -15.578 -16.766 1.00 0.00 O ATOM 206 CB ARG A 12 -5.103 -13.903 -14.723 1.00 0.00 C ATOM 207 CG ARG A 12 -6.037 -12.808 -14.206 1.00 0.00 C ATOM 208 CD ARG A 12 -5.555 -12.333 -12.835 1.00 0.00 C ATOM 209 NE ARG A 12 -6.311 -11.160 -12.413 1.00 0.00 N ATOM 210 CZ ARG A 12 -5.860 -10.362 -11.452 1.00 0.00 C ATOM 211 NH1 ARG A 12 -6.555 -9.319 -11.090 1.00 0.00 N ATOM 212 NH2 ARG A 12 -4.720 -10.621 -10.870 1.00 0.00 N ATOM 0 H ARG A 12 -6.071 -16.044 -13.966 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.789 -14.335 -15.990 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.697 -14.474 -13.888 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.257 -13.457 -15.245 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.058 -11.972 -14.906 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.056 -13.188 -14.134 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.672 -13.132 -12.103 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.493 -12.094 -12.878 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.201 -10.949 -12.863 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.445 -9.116 -11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.208 -8.706 -10.352 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.176 -11.436 -11.154 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.373 -10.008 -10.132 1.00 0.00 H new ATOM 226 N LYS A 13 -5.576 -14.897 -18.072 1.00 0.00 N ATOM 227 CA LYS A 13 -4.852 -15.153 -19.312 1.00 0.00 C ATOM 228 C LYS A 13 -4.335 -16.588 -19.344 1.00 0.00 C ATOM 229 O LYS A 13 -5.102 -17.538 -19.181 1.00 0.00 O ATOM 230 CB LYS A 13 -3.677 -14.182 -19.438 1.00 0.00 C ATOM 231 CG LYS A 13 -4.169 -12.751 -19.211 1.00 0.00 C ATOM 232 CD LYS A 13 -2.982 -11.787 -19.268 1.00 0.00 C ATOM 233 CE LYS A 13 -2.298 -11.737 -17.901 1.00 0.00 C ATOM 234 NZ LYS A 13 -3.212 -11.099 -16.912 1.00 0.00 N ATOM 0 H LYS A 13 -6.520 -14.530 -18.197 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.536 -15.007 -20.148 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.905 -14.432 -18.710 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.224 -14.269 -20.425 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.905 -12.484 -19.970 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.666 -12.675 -18.244 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.273 -12.112 -20.029 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.322 -10.791 -19.553 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.038 -12.744 -17.575 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.367 -11.174 -17.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.754 -10.256 -16.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.096 -10.821 -17.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.425 -11.774 -16.150 1.00 0.00 H new ATOM 248 N PHE A 14 -3.031 -16.739 -19.555 1.00 0.00 N ATOM 249 CA PHE A 14 -2.422 -18.064 -19.604 1.00 0.00 C ATOM 250 C PHE A 14 -1.814 -18.421 -18.251 1.00 0.00 C ATOM 251 O PHE A 14 -1.534 -17.544 -17.434 1.00 0.00 O ATOM 252 CB PHE A 14 -1.333 -18.100 -20.680 1.00 0.00 C ATOM 253 CG PHE A 14 -1.863 -18.789 -21.915 1.00 0.00 C ATOM 254 CD1 PHE A 14 -3.162 -18.522 -22.365 1.00 0.00 C ATOM 255 CD2 PHE A 14 -1.055 -19.696 -22.612 1.00 0.00 C ATOM 256 CE1 PHE A 14 -3.652 -19.161 -23.510 1.00 0.00 C ATOM 257 CE2 PHE A 14 -1.545 -20.335 -23.758 1.00 0.00 C ATOM 258 CZ PHE A 14 -2.844 -20.067 -24.207 1.00 0.00 C ATOM 0 H PHE A 14 -2.380 -15.966 -19.694 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.196 -18.792 -19.848 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.016 -17.086 -20.925 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.455 -18.627 -20.306 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.786 -17.823 -21.828 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.053 -19.903 -22.266 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.654 -18.955 -23.856 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.921 -21.034 -24.295 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.222 -20.559 -25.091 1.00 0.00 H new ATOM 268 N PRO A 15 -1.605 -19.687 -18.008 1.00 0.00 N ATOM 269 CA PRO A 15 -1.016 -20.178 -16.729 1.00 0.00 C ATOM 270 C PRO A 15 0.304 -19.481 -16.408 1.00 0.00 C ATOM 271 O PRO A 15 1.242 -19.508 -17.205 1.00 0.00 O ATOM 272 CB PRO A 15 -0.801 -21.683 -16.958 1.00 0.00 C ATOM 273 CG PRO A 15 -1.022 -21.923 -18.419 1.00 0.00 C ATOM 274 CD PRO A 15 -1.907 -20.788 -18.925 1.00 0.00 C ATOM 0 HA PRO A 15 -1.666 -19.972 -15.879 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.205 -21.981 -16.663 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.496 -22.270 -16.358 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.073 -21.941 -18.955 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.500 -22.889 -18.584 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.674 -20.527 -19.957 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.963 -21.058 -18.895 1.00 0.00 H new ATOM 282 N TYR A 16 0.365 -18.851 -15.239 1.00 0.00 N ATOM 283 CA TYR A 16 1.572 -18.142 -14.828 1.00 0.00 C ATOM 284 C TYR A 16 2.188 -18.789 -13.591 1.00 0.00 C ATOM 285 O TYR A 16 3.410 -18.886 -13.477 1.00 0.00 O ATOM 286 CB TYR A 16 1.236 -16.677 -14.527 1.00 0.00 C ATOM 287 CG TYR A 16 2.010 -15.774 -15.459 1.00 0.00 C ATOM 288 CD1 TYR A 16 3.270 -15.294 -15.082 1.00 0.00 C ATOM 289 CD2 TYR A 16 1.469 -15.419 -16.701 1.00 0.00 C ATOM 290 CE1 TYR A 16 3.988 -14.459 -15.946 1.00 0.00 C ATOM 291 CE2 TYR A 16 2.187 -14.584 -17.564 1.00 0.00 C ATOM 292 CZ TYR A 16 3.447 -14.104 -17.187 1.00 0.00 C ATOM 293 OH TYR A 16 4.155 -13.282 -18.039 1.00 0.00 O ATOM 0 H TYR A 16 -0.400 -18.817 -14.565 1.00 0.00 H new ATOM 0 HA TYR A 16 2.294 -18.193 -15.643 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.166 -16.508 -14.647 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.482 -16.443 -13.491 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.688 -15.568 -14.125 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.497 -15.790 -16.993 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.960 -14.089 -15.655 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.769 -14.310 -18.521 1.00 0.00 H new ATOM 0 HH TYR A 16 3.637 -13.136 -18.858 1.00 0.00 H new ATOM 303 N LYS A 17 1.337 -19.225 -12.666 1.00 0.00 N ATOM 304 CA LYS A 17 1.810 -19.856 -11.440 1.00 0.00 C ATOM 305 C LYS A 17 2.541 -18.843 -10.564 1.00 0.00 C ATOM 306 O LYS A 17 2.180 -18.637 -9.405 1.00 0.00 O ATOM 307 CB LYS A 17 2.747 -21.018 -11.773 1.00 0.00 C ATOM 308 CG LYS A 17 2.092 -21.920 -12.820 1.00 0.00 C ATOM 309 CD LYS A 17 3.156 -22.809 -13.468 1.00 0.00 C ATOM 310 CE LYS A 17 2.709 -24.272 -13.410 1.00 0.00 C ATOM 311 NZ LYS A 17 2.347 -24.627 -12.009 1.00 0.00 N ATOM 0 H LYS A 17 0.322 -19.153 -12.742 1.00 0.00 H new ATOM 0 HA LYS A 17 0.946 -20.235 -10.894 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.696 -20.637 -12.149 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.968 -21.590 -10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.323 -22.536 -12.354 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.598 -21.314 -13.579 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.314 -22.508 -14.503 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.108 -22.689 -12.952 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.854 -24.428 -14.068 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.509 -24.922 -13.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.598 -25.619 -11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.865 -24.012 -11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.324 -24.498 -11.871 1.00 0.00 H new ATOM 325 N SER A 18 3.568 -18.213 -11.124 1.00 0.00 N ATOM 326 CA SER A 18 4.343 -17.224 -10.383 1.00 0.00 C ATOM 327 C SER A 18 3.497 -15.988 -10.088 1.00 0.00 C ATOM 328 O SER A 18 3.683 -15.328 -9.066 1.00 0.00 O ATOM 329 CB SER A 18 5.579 -16.820 -11.186 1.00 0.00 C ATOM 330 OG SER A 18 5.309 -15.615 -11.889 1.00 0.00 O ATOM 0 H SER A 18 3.882 -18.368 -12.082 1.00 0.00 H new ATOM 0 HA SER A 18 4.654 -17.669 -9.438 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.431 -16.683 -10.520 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.846 -17.611 -11.887 1.00 0.00 H new ATOM 0 HG SER A 18 6.100 -15.352 -12.404 1.00 0.00 H new ATOM 336 N GLU A 19 2.566 -15.681 -10.988 1.00 0.00 N ATOM 337 CA GLU A 19 1.696 -14.523 -10.809 1.00 0.00 C ATOM 338 C GLU A 19 0.717 -14.769 -9.669 1.00 0.00 C ATOM 339 O GLU A 19 0.259 -13.832 -9.015 1.00 0.00 O ATOM 340 CB GLU A 19 0.922 -14.246 -12.099 1.00 0.00 C ATOM 341 CG GLU A 19 0.085 -12.974 -11.935 1.00 0.00 C ATOM 342 CD GLU A 19 0.513 -11.931 -12.961 1.00 0.00 C ATOM 343 OE1 GLU A 19 -0.269 -11.652 -13.855 1.00 0.00 O ATOM 344 OE2 GLU A 19 1.616 -11.424 -12.838 1.00 0.00 O ATOM 0 H GLU A 19 2.396 -16.213 -11.841 1.00 0.00 H new ATOM 0 HA GLU A 19 2.314 -13.658 -10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.615 -14.132 -12.933 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.275 -15.091 -12.335 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.973 -13.206 -12.060 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.207 -12.576 -10.928 1.00 0.00 H new ATOM 351 N CYS A 20 0.402 -16.038 -9.436 1.00 0.00 N ATOM 352 CA CYS A 20 -0.522 -16.404 -8.370 1.00 0.00 C ATOM 353 C CYS A 20 0.229 -16.578 -7.055 1.00 0.00 C ATOM 354 O CYS A 20 -0.143 -15.997 -6.035 1.00 0.00 O ATOM 355 CB CYS A 20 -1.246 -17.704 -8.730 1.00 0.00 C ATOM 356 SG CYS A 20 -0.350 -19.112 -8.028 1.00 0.00 S ATOM 0 H CYS A 20 0.771 -16.827 -9.968 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.255 -15.606 -8.254 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.266 -17.682 -8.347 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.314 -17.806 -9.813 1.00 0.00 H new ATOM 361 N LEU A 21 1.294 -17.373 -7.087 1.00 0.00 N ATOM 362 CA LEU A 21 2.093 -17.603 -5.891 1.00 0.00 C ATOM 363 C LEU A 21 2.506 -16.271 -5.280 1.00 0.00 C ATOM 364 O LEU A 21 2.596 -16.134 -4.060 1.00 0.00 O ATOM 365 CB LEU A 21 3.339 -18.418 -6.237 1.00 0.00 C ATOM 366 CG LEU A 21 4.184 -18.611 -4.978 1.00 0.00 C ATOM 367 CD1 LEU A 21 3.386 -19.413 -3.947 1.00 0.00 C ATOM 368 CD2 LEU A 21 5.465 -19.369 -5.335 1.00 0.00 C ATOM 0 H LEU A 21 1.620 -17.864 -7.919 1.00 0.00 H new ATOM 0 HA LEU A 21 1.493 -18.160 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.052 -19.386 -6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.921 -17.906 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 21 4.443 -17.638 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.988 -19.551 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.474 -18.873 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.128 -20.386 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.068 -19.507 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.207 -20.342 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.033 -18.798 -6.070 1.00 0.00 H new ATOM 380 N LYS A 22 2.747 -15.291 -6.143 1.00 0.00 N ATOM 381 CA LYS A 22 3.140 -13.965 -5.690 1.00 0.00 C ATOM 382 C LYS A 22 2.023 -13.344 -4.859 1.00 0.00 C ATOM 383 O LYS A 22 2.279 -12.640 -3.882 1.00 0.00 O ATOM 384 CB LYS A 22 3.441 -13.075 -6.898 1.00 0.00 C ATOM 385 CG LYS A 22 3.791 -11.663 -6.425 1.00 0.00 C ATOM 386 CD LYS A 22 4.268 -10.831 -7.618 1.00 0.00 C ATOM 387 CE LYS A 22 5.289 -9.794 -7.146 1.00 0.00 C ATOM 388 NZ LYS A 22 5.973 -9.198 -8.328 1.00 0.00 N ATOM 0 H LYS A 22 2.677 -15.390 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 22 4.035 -14.051 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.269 -13.492 -7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.577 -13.043 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.920 -11.195 -5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.569 -11.705 -5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.715 -11.480 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.420 -10.333 -8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.792 -9.015 -6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.020 -10.262 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.667 -8.493 -8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.460 -9.946 -8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.270 -8.738 -8.941 1.00 0.00 H new ATOM 402 N ALA A 23 0.781 -13.615 -5.252 1.00 0.00 N ATOM 403 CA ALA A 23 -0.369 -13.083 -4.531 1.00 0.00 C ATOM 404 C ALA A 23 -0.318 -13.511 -3.069 1.00 0.00 C ATOM 405 O ALA A 23 -0.741 -12.772 -2.178 1.00 0.00 O ATOM 406 CB ALA A 23 -1.666 -13.586 -5.168 1.00 0.00 C ATOM 0 H ALA A 23 0.548 -14.194 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.341 -11.995 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.519 -13.183 -4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.712 -13.259 -6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.692 -14.675 -5.129 1.00 0.00 H new ATOM 412 N CYS A 24 0.207 -14.708 -2.830 1.00 0.00 N ATOM 413 CA CYS A 24 0.315 -15.227 -1.472 1.00 0.00 C ATOM 414 C CYS A 24 1.359 -14.441 -0.685 1.00 0.00 C ATOM 415 O CYS A 24 1.080 -13.935 0.402 1.00 0.00 O ATOM 416 CB CYS A 24 0.699 -16.708 -1.507 1.00 0.00 C ATOM 417 SG CYS A 24 -0.548 -17.675 -0.621 1.00 0.00 S ATOM 0 H CYS A 24 0.562 -15.333 -3.554 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.652 -15.119 -0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.775 -17.051 -2.539 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.678 -16.852 -1.050 1.00 0.00 H new ATOM 422 N ALA A 25 2.561 -14.339 -1.244 1.00 0.00 N ATOM 423 CA ALA A 25 3.636 -13.606 -0.586 1.00 0.00 C ATOM 424 C ALA A 25 3.319 -12.116 -0.562 1.00 0.00 C ATOM 425 O ALA A 25 3.746 -11.393 0.339 1.00 0.00 O ATOM 426 CB ALA A 25 4.957 -13.839 -1.322 1.00 0.00 C ATOM 0 H ALA A 25 2.813 -14.751 -2.143 1.00 0.00 H new ATOM 0 HA ALA A 25 3.728 -13.967 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.754 -13.287 -0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.194 -14.903 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.866 -13.493 -2.352 1.00 0.00 H new ATOM 432 N THR A 26 2.562 -11.664 -1.556 1.00 0.00 N ATOM 433 CA THR A 26 2.185 -10.259 -1.640 1.00 0.00 C ATOM 434 C THR A 26 0.852 -10.026 -0.937 1.00 0.00 C ATOM 435 O THR A 26 0.565 -8.919 -0.481 1.00 0.00 O ATOM 436 CB THR A 26 2.075 -9.832 -3.106 1.00 0.00 C ATOM 437 OG1 THR A 26 3.376 -9.745 -3.671 1.00 0.00 O ATOM 438 CG2 THR A 26 1.387 -8.468 -3.191 1.00 0.00 C ATOM 0 H THR A 26 2.199 -12.247 -2.310 1.00 0.00 H new ATOM 0 HA THR A 26 2.954 -9.663 -1.149 1.00 0.00 H new ATOM 0 HB THR A 26 1.488 -10.567 -3.657 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.307 -9.473 -4.610 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.309 -8.164 -4.235 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.389 -8.536 -2.757 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.972 -7.731 -2.641 1.00 0.00 H new ATOM 446 N SER A 27 0.043 -11.077 -0.851 1.00 0.00 N ATOM 447 CA SER A 27 -1.256 -10.976 -0.198 1.00 0.00 C ATOM 448 C SER A 27 -1.148 -10.146 1.076 1.00 0.00 C ATOM 449 O SER A 27 -2.123 -9.537 1.516 1.00 0.00 O ATOM 450 CB SER A 27 -1.782 -12.372 0.140 1.00 0.00 C ATOM 451 OG SER A 27 -2.672 -12.798 -0.883 1.00 0.00 O ATOM 0 H SER A 27 0.262 -12.001 -1.222 1.00 0.00 H new ATOM 0 HA SER A 27 -1.950 -10.485 -0.881 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.953 -13.073 0.232 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.295 -12.357 1.102 1.00 0.00 H new ATOM 0 HG SER A 27 -2.205 -12.795 -1.745 1.00 0.00 H new ATOM 457 N PHE A 28 0.044 -10.125 1.662 1.00 0.00 N ATOM 458 CA PHE A 28 0.271 -9.363 2.885 1.00 0.00 C ATOM 459 C PHE A 28 1.751 -9.035 3.046 1.00 0.00 C ATOM 460 O PHE A 28 2.610 -9.689 2.455 1.00 0.00 O ATOM 461 CB PHE A 28 -0.212 -10.160 4.098 1.00 0.00 C ATOM 462 CG PHE A 28 -0.880 -9.224 5.076 1.00 0.00 C ATOM 463 CD1 PHE A 28 -2.023 -8.512 4.693 1.00 0.00 C ATOM 464 CD2 PHE A 28 -0.356 -9.065 6.364 1.00 0.00 C ATOM 465 CE1 PHE A 28 -2.642 -7.641 5.598 1.00 0.00 C ATOM 466 CE2 PHE A 28 -0.975 -8.195 7.270 1.00 0.00 C ATOM 467 CZ PHE A 28 -2.117 -7.483 6.886 1.00 0.00 C ATOM 0 H PHE A 28 0.863 -10.623 1.313 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.291 -8.431 2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.911 -10.935 3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.629 -10.663 4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.427 -8.635 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.526 -9.614 6.659 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.524 -7.092 5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.571 -8.074 8.264 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.594 -6.811 7.584 1.00 0.00 H new ATOM 477 N THR A 29 2.041 -8.017 3.849 1.00 0.00 N ATOM 478 CA THR A 29 3.421 -7.609 4.081 1.00 0.00 C ATOM 479 C THR A 29 3.587 -7.058 5.494 1.00 0.00 C ATOM 480 O THR A 29 2.691 -6.402 6.024 1.00 0.00 O ATOM 481 CB THR A 29 3.828 -6.543 3.062 1.00 0.00 C ATOM 482 OG1 THR A 29 3.278 -6.869 1.793 1.00 0.00 O ATOM 483 CG2 THR A 29 5.353 -6.486 2.959 1.00 0.00 C ATOM 0 H THR A 29 1.344 -7.463 4.347 1.00 0.00 H new ATOM 0 HA THR A 29 4.063 -8.483 3.968 1.00 0.00 H new ATOM 0 HB THR A 29 3.452 -5.572 3.384 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.537 -6.186 1.139 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.640 -5.726 2.233 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.774 -6.235 3.933 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.733 -7.456 2.638 1.00 0.00 H new ATOM 491 N GLY A 30 4.739 -7.331 6.097 1.00 0.00 N ATOM 492 CA GLY A 30 5.014 -6.859 7.449 1.00 0.00 C ATOM 493 C GLY A 30 6.066 -7.731 8.124 1.00 0.00 C ATOM 494 O GLY A 30 7.176 -7.278 8.404 1.00 0.00 O ATOM 0 H GLY A 30 5.493 -7.873 5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.359 -5.826 7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.096 -6.869 8.036 1.00 0.00 H new ATOM 498 N GLY A 31 5.710 -8.986 8.381 1.00 0.00 N ATOM 499 CA GLY A 31 6.633 -9.915 9.022 1.00 0.00 C ATOM 500 C GLY A 31 7.468 -10.656 7.983 1.00 0.00 C ATOM 501 O GLY A 31 7.043 -10.831 6.841 1.00 0.00 O ATOM 0 H GLY A 31 4.796 -9.380 8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.289 -9.371 9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.074 -10.632 9.624 1.00 0.00 H new ATOM 505 N ASP A 32 8.658 -11.088 8.387 1.00 0.00 N ATOM 506 CA ASP A 32 9.545 -11.809 7.481 1.00 0.00 C ATOM 507 C ASP A 32 8.833 -13.014 6.875 1.00 0.00 C ATOM 508 O ASP A 32 9.046 -14.150 7.296 1.00 0.00 O ATOM 509 CB ASP A 32 10.791 -12.277 8.235 1.00 0.00 C ATOM 510 CG ASP A 32 11.490 -11.085 8.880 1.00 0.00 C ATOM 511 OD1 ASP A 32 11.409 -10.003 8.322 1.00 0.00 O ATOM 512 OD2 ASP A 32 12.096 -11.272 9.923 1.00 0.00 O ATOM 0 H ASP A 32 9.028 -10.953 9.328 1.00 0.00 H new ATOM 0 HA ASP A 32 9.837 -11.134 6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.512 -13.003 8.999 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.472 -12.781 7.550 1.00 0.00 H new ATOM 517 N GLU A 33 7.988 -12.758 5.881 1.00 0.00 N ATOM 518 CA GLU A 33 7.253 -13.831 5.221 1.00 0.00 C ATOM 519 C GLU A 33 6.474 -14.656 6.238 1.00 0.00 C ATOM 520 O GLU A 33 5.783 -15.608 5.876 1.00 0.00 O ATOM 521 CB GLU A 33 8.223 -14.734 4.458 1.00 0.00 C ATOM 522 CG GLU A 33 8.860 -13.944 3.313 1.00 0.00 C ATOM 523 CD GLU A 33 9.835 -14.830 2.546 1.00 0.00 C ATOM 524 OE1 GLU A 33 11.007 -14.820 2.887 1.00 0.00 O ATOM 525 OE2 GLU A 33 9.397 -15.506 1.630 1.00 0.00 O ATOM 0 H GLU A 33 7.796 -11.825 5.517 1.00 0.00 H new ATOM 0 HA GLU A 33 6.547 -13.385 4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.995 -15.107 5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.695 -15.603 4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.086 -13.574 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.382 -13.072 3.708 1.00 0.00 H new ATOM 532 N SER A 34 6.583 -14.285 7.510 1.00 0.00 N ATOM 533 CA SER A 34 5.874 -15.005 8.559 1.00 0.00 C ATOM 534 C SER A 34 4.392 -15.097 8.217 1.00 0.00 C ATOM 535 O SER A 34 3.605 -14.217 8.565 1.00 0.00 O ATOM 536 CB SER A 34 6.053 -14.298 9.902 1.00 0.00 C ATOM 537 OG SER A 34 7.086 -13.327 9.786 1.00 0.00 O ATOM 0 H SER A 34 7.148 -13.500 7.835 1.00 0.00 H new ATOM 0 HA SER A 34 6.288 -16.011 8.633 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.120 -13.820 10.202 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.304 -15.022 10.677 1.00 0.00 H new ATOM 0 HG SER A 34 7.203 -12.870 10.645 1.00 0.00 H new ATOM 543 N ARG A 35 4.031 -16.170 7.523 1.00 0.00 N ATOM 544 CA ARG A 35 2.652 -16.396 7.109 1.00 0.00 C ATOM 545 C ARG A 35 2.643 -17.279 5.871 1.00 0.00 C ATOM 546 O ARG A 35 1.640 -17.917 5.551 1.00 0.00 O ATOM 547 CB ARG A 35 1.959 -15.067 6.799 1.00 0.00 C ATOM 548 CG ARG A 35 1.130 -14.630 8.011 1.00 0.00 C ATOM 549 CD ARG A 35 1.077 -13.102 8.080 1.00 0.00 C ATOM 550 NE ARG A 35 0.142 -12.584 7.089 1.00 0.00 N ATOM 551 CZ ARG A 35 -1.156 -12.484 7.356 1.00 0.00 C ATOM 552 NH1 ARG A 35 -1.974 -12.013 6.455 1.00 0.00 N ATOM 553 NH2 ARG A 35 -1.612 -12.858 8.520 1.00 0.00 N ATOM 0 H ARG A 35 4.680 -16.902 7.234 1.00 0.00 H new ATOM 0 HA ARG A 35 2.113 -16.886 7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.700 -14.305 6.558 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.317 -15.174 5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.121 -15.035 7.938 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.568 -15.029 8.926 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.772 -12.786 9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.070 -12.688 7.904 1.00 0.00 H new ATOM 0 HE ARG A 35 0.490 -12.293 6.175 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.617 -11.721 5.545 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.970 -11.937 6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.972 -13.227 9.224 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.608 -12.782 8.726 1.00 0.00 H new ATOM 567 N ILE A 36 3.781 -17.313 5.184 1.00 0.00 N ATOM 568 CA ILE A 36 3.919 -18.126 3.985 1.00 0.00 C ATOM 569 C ILE A 36 5.300 -18.770 3.945 1.00 0.00 C ATOM 570 O ILE A 36 5.435 -19.983 4.084 1.00 0.00 O ATOM 571 CB ILE A 36 3.721 -17.271 2.730 1.00 0.00 C ATOM 572 CG1 ILE A 36 2.724 -16.146 3.020 1.00 0.00 C ATOM 573 CG2 ILE A 36 3.181 -18.148 1.600 1.00 0.00 C ATOM 574 CD1 ILE A 36 1.324 -16.737 3.199 1.00 0.00 C ATOM 0 H ILE A 36 4.618 -16.788 5.438 1.00 0.00 H new ATOM 0 HA ILE A 36 3.156 -18.904 4.009 1.00 0.00 H new ATOM 0 HB ILE A 36 4.677 -16.837 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.020 -15.606 3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.724 -15.426 2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.039 -17.542 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.892 -18.947 1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.227 -18.581 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.614 -15.936 3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.029 -17.257 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.330 -17.440 4.032 1.00 0.00 H new ATOM 586 N GLN A 37 6.325 -17.949 3.760 1.00 0.00 N ATOM 587 CA GLN A 37 7.687 -18.456 3.702 1.00 0.00 C ATOM 588 C GLN A 37 7.865 -19.359 2.482 1.00 0.00 C ATOM 589 O GLN A 37 8.929 -19.377 1.863 1.00 0.00 O ATOM 590 CB GLN A 37 8.005 -19.236 4.978 1.00 0.00 C ATOM 591 CG GLN A 37 9.036 -18.467 5.807 1.00 0.00 C ATOM 592 CD GLN A 37 9.293 -19.189 7.125 1.00 0.00 C ATOM 593 OE1 GLN A 37 10.445 -19.396 7.507 1.00 0.00 O ATOM 594 NE2 GLN A 37 8.282 -19.587 7.849 1.00 0.00 N ATOM 0 H GLN A 37 6.240 -16.939 3.649 1.00 0.00 H new ATOM 0 HA GLN A 37 8.373 -17.613 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.096 -19.387 5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.390 -20.224 4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.967 -18.373 5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.677 -17.456 6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.328 -19.415 7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.446 -20.070 8.732 1.00 0.00 H new ATOM 603 N GLU A 38 6.813 -20.100 2.137 1.00 0.00 N ATOM 604 CA GLU A 38 6.862 -20.993 0.986 1.00 0.00 C ATOM 605 C GLU A 38 5.455 -21.395 0.567 1.00 0.00 C ATOM 606 O GLU A 38 4.576 -21.589 1.407 1.00 0.00 O ATOM 607 CB GLU A 38 7.674 -22.243 1.320 1.00 0.00 C ATOM 608 CG GLU A 38 7.851 -23.093 0.060 1.00 0.00 C ATOM 609 CD GLU A 38 8.302 -24.500 0.439 1.00 0.00 C ATOM 610 OE1 GLU A 38 7.494 -25.407 0.337 1.00 0.00 O ATOM 611 OE2 GLU A 38 9.450 -24.649 0.825 1.00 0.00 O ATOM 0 H GLU A 38 5.923 -20.099 2.636 1.00 0.00 H new ATOM 0 HA GLU A 38 7.341 -20.465 0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.648 -21.960 1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.168 -22.822 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.912 -23.139 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.586 -22.632 -0.599 1.00 0.00 H new ATOM 618 N GLY A 39 5.250 -21.519 -0.736 1.00 0.00 N ATOM 619 CA GLY A 39 3.943 -21.898 -1.259 1.00 0.00 C ATOM 620 C GLY A 39 4.052 -22.441 -2.679 1.00 0.00 C ATOM 621 O GLY A 39 5.077 -22.277 -3.341 1.00 0.00 O ATOM 0 H GLY A 39 5.965 -21.364 -1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.495 -22.652 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.280 -21.033 -1.248 1.00 0.00 H new ATOM 625 N LYS A 40 2.988 -23.094 -3.141 1.00 0.00 N ATOM 626 CA LYS A 40 2.976 -23.662 -4.484 1.00 0.00 C ATOM 627 C LYS A 40 1.859 -23.040 -5.322 1.00 0.00 C ATOM 628 O LYS A 40 0.952 -22.409 -4.781 1.00 0.00 O ATOM 629 CB LYS A 40 2.769 -25.174 -4.402 1.00 0.00 C ATOM 630 CG LYS A 40 4.103 -25.885 -4.620 1.00 0.00 C ATOM 631 CD LYS A 40 3.981 -27.348 -4.186 1.00 0.00 C ATOM 632 CE LYS A 40 5.023 -28.188 -4.925 1.00 0.00 C ATOM 633 NZ LYS A 40 6.204 -27.340 -5.251 1.00 0.00 N ATOM 0 H LYS A 40 2.130 -23.241 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 40 3.933 -23.447 -4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.357 -25.443 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.047 -25.494 -5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.389 -25.829 -5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.888 -25.390 -4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.128 -27.432 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.979 -27.720 -4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.328 -29.033 -4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.593 -28.599 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.043 -27.943 -5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.025 -26.820 -6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.370 -26.664 -4.478 1.00 0.00 H new ATOM 647 N PRO A 41 1.901 -23.206 -6.624 1.00 0.00 N ATOM 648 CA PRO A 41 0.875 -22.659 -7.542 1.00 0.00 C ATOM 649 C PRO A 41 -0.181 -23.691 -7.929 1.00 0.00 C ATOM 650 O PRO A 41 -0.002 -24.892 -7.725 1.00 0.00 O ATOM 651 CB PRO A 41 1.715 -22.301 -8.755 1.00 0.00 C ATOM 652 CG PRO A 41 2.733 -23.395 -8.830 1.00 0.00 C ATOM 653 CD PRO A 41 2.936 -23.917 -7.395 1.00 0.00 C ATOM 0 HA PRO A 41 0.312 -21.836 -7.102 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.109 -22.257 -9.660 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.186 -21.325 -8.639 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.392 -24.195 -9.487 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.671 -23.022 -9.241 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.808 -24.998 -7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.937 -23.695 -7.024 1.00 0.00 H new ATOM 661 N GLY A 42 -1.274 -23.203 -8.498 1.00 0.00 N ATOM 662 CA GLY A 42 -2.363 -24.069 -8.931 1.00 0.00 C ATOM 663 C GLY A 42 -3.230 -23.356 -9.964 1.00 0.00 C ATOM 664 O GLY A 42 -3.250 -22.127 -10.026 1.00 0.00 O ATOM 0 H GLY A 42 -1.431 -22.210 -8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.959 -24.987 -9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.971 -24.357 -8.073 1.00 0.00 H new ATOM 668 N PHE A 43 -3.950 -24.128 -10.770 1.00 0.00 N ATOM 669 CA PHE A 43 -4.817 -23.541 -11.784 1.00 0.00 C ATOM 670 C PHE A 43 -6.150 -23.144 -11.162 1.00 0.00 C ATOM 671 O PHE A 43 -6.759 -23.924 -10.430 1.00 0.00 O ATOM 672 CB PHE A 43 -5.055 -24.541 -12.917 1.00 0.00 C ATOM 673 CG PHE A 43 -6.076 -25.559 -12.474 1.00 0.00 C ATOM 674 CD1 PHE A 43 -5.704 -26.584 -11.597 1.00 0.00 C ATOM 675 CD2 PHE A 43 -7.394 -25.477 -12.938 1.00 0.00 C ATOM 676 CE1 PHE A 43 -6.650 -27.528 -11.182 1.00 0.00 C ATOM 677 CE2 PHE A 43 -8.341 -26.422 -12.524 1.00 0.00 C ATOM 678 CZ PHE A 43 -7.969 -27.447 -11.646 1.00 0.00 C ATOM 0 H PHE A 43 -3.952 -25.148 -10.743 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.331 -22.653 -12.189 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.405 -24.022 -13.809 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.121 -25.037 -13.183 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.687 -26.647 -11.240 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.680 -24.686 -13.615 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.363 -28.319 -10.504 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.358 -26.360 -12.882 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.699 -28.176 -11.326 1.00 0.00 H new ATOM 688 N PHE A 44 -6.598 -21.926 -11.447 1.00 0.00 N ATOM 689 CA PHE A 44 -7.858 -21.446 -10.894 1.00 0.00 C ATOM 690 C PHE A 44 -7.711 -21.195 -9.400 1.00 0.00 C ATOM 691 O PHE A 44 -8.658 -20.783 -8.731 1.00 0.00 O ATOM 692 CB PHE A 44 -8.960 -22.481 -11.131 1.00 0.00 C ATOM 693 CG PHE A 44 -10.152 -21.828 -11.791 1.00 0.00 C ATOM 694 CD1 PHE A 44 -10.304 -21.889 -13.182 1.00 0.00 C ATOM 695 CD2 PHE A 44 -11.110 -21.168 -11.011 1.00 0.00 C ATOM 696 CE1 PHE A 44 -11.413 -21.290 -13.792 1.00 0.00 C ATOM 697 CE2 PHE A 44 -12.218 -20.569 -11.622 1.00 0.00 C ATOM 698 CZ PHE A 44 -12.370 -20.630 -13.012 1.00 0.00 C ATOM 0 H PHE A 44 -6.114 -21.261 -12.050 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.125 -20.513 -11.390 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.583 -23.288 -11.760 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.259 -22.929 -10.183 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.566 -22.398 -13.784 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.994 -21.121 -9.938 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.530 -21.337 -14.865 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -12.956 -20.059 -11.020 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.225 -20.168 -13.483 1.00 0.00 H new ATOM 708 N LYS A 45 -6.512 -21.450 -8.886 1.00 0.00 N ATOM 709 CA LYS A 45 -6.238 -21.258 -7.471 1.00 0.00 C ATOM 710 C LYS A 45 -4.794 -21.627 -7.157 1.00 0.00 C ATOM 711 O LYS A 45 -4.095 -22.201 -7.989 1.00 0.00 O ATOM 712 CB LYS A 45 -7.172 -22.129 -6.632 1.00 0.00 C ATOM 713 CG LYS A 45 -6.686 -23.580 -6.661 1.00 0.00 C ATOM 714 CD LYS A 45 -7.769 -24.492 -6.080 1.00 0.00 C ATOM 715 CE LYS A 45 -8.570 -25.127 -7.219 1.00 0.00 C ATOM 716 NZ LYS A 45 -7.689 -26.041 -7.999 1.00 0.00 N ATOM 0 H LYS A 45 -5.718 -21.789 -9.429 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.403 -20.208 -7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.200 -21.765 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.189 -22.068 -7.020 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.455 -23.877 -7.684 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.766 -23.678 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.314 -25.268 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.432 -23.919 -5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.419 -25.679 -6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.974 -24.351 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.249 -26.841 -8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.274 -25.523 -8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.928 -26.397 -7.386 1.00 0.00 H new ATOM 730 N CYS A 46 -4.355 -21.301 -5.950 1.00 0.00 N ATOM 731 CA CYS A 46 -2.995 -21.612 -5.536 1.00 0.00 C ATOM 732 C CYS A 46 -2.947 -21.837 -4.032 1.00 0.00 C ATOM 733 O CYS A 46 -3.576 -21.107 -3.266 1.00 0.00 O ATOM 734 CB CYS A 46 -2.054 -20.470 -5.924 1.00 0.00 C ATOM 735 SG CYS A 46 -1.779 -20.503 -7.714 1.00 0.00 S ATOM 0 H CYS A 46 -4.917 -20.824 -5.244 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.672 -22.523 -6.041 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.484 -19.513 -5.628 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.105 -20.570 -5.397 1.00 0.00 H new ATOM 740 N THR A 47 -2.207 -22.856 -3.614 1.00 0.00 N ATOM 741 CA THR A 47 -2.102 -23.167 -2.193 1.00 0.00 C ATOM 742 C THR A 47 -0.716 -22.829 -1.663 1.00 0.00 C ATOM 743 O THR A 47 0.296 -23.144 -2.289 1.00 0.00 O ATOM 744 CB THR A 47 -2.387 -24.651 -1.953 1.00 0.00 C ATOM 745 OG1 THR A 47 -1.633 -25.430 -2.871 1.00 0.00 O ATOM 746 CG2 THR A 47 -3.877 -24.926 -2.149 1.00 0.00 C ATOM 0 H THR A 47 -1.677 -23.474 -4.228 1.00 0.00 H new ATOM 0 HA THR A 47 -2.839 -22.563 -1.663 1.00 0.00 H new ATOM 0 HB THR A 47 -2.104 -24.915 -0.934 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.805 -24.957 -3.099 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.077 -25.984 -1.978 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.453 -24.328 -1.443 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.165 -24.663 -3.167 1.00 0.00 H new ATOM 754 N CYS A 48 -0.680 -22.195 -0.498 1.00 0.00 N ATOM 755 CA CYS A 48 0.584 -21.827 0.121 1.00 0.00 C ATOM 756 C CYS A 48 0.648 -22.382 1.540 1.00 0.00 C ATOM 757 O CYS A 48 -0.370 -22.787 2.101 1.00 0.00 O ATOM 758 CB CYS A 48 0.736 -20.305 0.149 1.00 0.00 C ATOM 759 SG CYS A 48 -0.215 -19.578 -1.210 1.00 0.00 S ATOM 0 H CYS A 48 -1.508 -21.927 0.034 1.00 0.00 H new ATOM 0 HA CYS A 48 1.399 -22.251 -0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.386 -19.911 1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.787 -20.032 0.058 1.00 0.00 H new ATOM 764 N TYR A 49 1.844 -22.401 2.116 1.00 0.00 N ATOM 765 CA TYR A 49 2.014 -22.914 3.470 1.00 0.00 C ATOM 766 C TYR A 49 2.950 -22.013 4.259 1.00 0.00 C ATOM 767 O TYR A 49 3.865 -21.422 3.694 1.00 0.00 O ATOM 768 CB TYR A 49 2.588 -24.331 3.421 1.00 0.00 C ATOM 769 CG TYR A 49 1.697 -25.204 2.571 1.00 0.00 C ATOM 770 CD1 TYR A 49 0.942 -26.224 3.163 1.00 0.00 C ATOM 771 CD2 TYR A 49 1.626 -24.993 1.189 1.00 0.00 C ATOM 772 CE1 TYR A 49 0.116 -27.031 2.373 1.00 0.00 C ATOM 773 CE2 TYR A 49 0.800 -25.800 0.399 1.00 0.00 C ATOM 774 CZ TYR A 49 0.045 -26.820 0.990 1.00 0.00 C ATOM 775 OH TYR A 49 -0.768 -27.616 0.211 1.00 0.00 O ATOM 0 H TYR A 49 2.702 -22.071 1.673 1.00 0.00 H new ATOM 0 HA TYR A 49 1.041 -22.934 3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.597 -24.312 3.009 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.662 -24.740 4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.997 -26.388 4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.209 -24.207 0.732 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.467 -27.817 2.830 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.745 -25.636 -0.667 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.701 -27.335 -0.725 1.00 0.00 H new ATOM 785 N PHE A 50 2.718 -21.912 5.563 1.00 0.00 N ATOM 786 CA PHE A 50 3.559 -21.073 6.408 1.00 0.00 C ATOM 787 C PHE A 50 4.586 -21.930 7.142 1.00 0.00 C ATOM 788 O PHE A 50 4.278 -22.555 8.156 1.00 0.00 O ATOM 789 CB PHE A 50 2.688 -20.319 7.419 1.00 0.00 C ATOM 790 CG PHE A 50 3.540 -19.600 8.450 1.00 0.00 C ATOM 791 CD1 PHE A 50 2.955 -19.199 9.658 1.00 0.00 C ATOM 792 CD2 PHE A 50 4.898 -19.325 8.209 1.00 0.00 C ATOM 793 CE1 PHE A 50 3.718 -18.529 10.621 1.00 0.00 C ATOM 794 CE2 PHE A 50 5.658 -18.655 9.176 1.00 0.00 C ATOM 795 CZ PHE A 50 5.068 -18.257 10.381 1.00 0.00 C ATOM 0 H PHE A 50 1.964 -22.394 6.053 1.00 0.00 H new ATOM 0 HA PHE A 50 4.086 -20.353 5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.060 -19.598 6.896 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.019 -21.019 7.920 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.912 -19.407 9.847 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.354 -19.630 7.279 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.263 -18.222 11.551 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.701 -18.445 8.991 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.655 -17.740 11.125 1.00 0.00 H new ATOM 805 N THR A 51 5.808 -21.957 6.617 1.00 0.00 N ATOM 806 CA THR A 51 6.872 -22.746 7.227 1.00 0.00 C ATOM 807 C THR A 51 7.073 -22.344 8.684 1.00 0.00 C ATOM 808 O THR A 51 7.927 -21.515 8.998 1.00 0.00 O ATOM 809 CB THR A 51 8.180 -22.551 6.454 1.00 0.00 C ATOM 810 OG1 THR A 51 7.933 -22.705 5.064 1.00 0.00 O ATOM 811 CG2 THR A 51 9.206 -23.590 6.910 1.00 0.00 C ATOM 0 H THR A 51 6.084 -21.446 5.778 1.00 0.00 H new ATOM 0 HA THR A 51 6.583 -23.796 7.190 1.00 0.00 H new ATOM 0 HB THR A 51 8.570 -21.552 6.646 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.768 -22.579 4.567 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.136 -23.449 6.359 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.395 -23.471 7.977 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.819 -24.591 6.720 1.00 0.00 H new ATOM 819 N THR A 52 6.280 -22.938 9.570 1.00 0.00 N ATOM 820 CA THR A 52 6.379 -22.634 10.993 1.00 0.00 C ATOM 821 C THR A 52 6.314 -23.914 11.820 1.00 0.00 C ATOM 822 O THR A 52 5.399 -24.723 11.660 1.00 0.00 O ATOM 823 CB THR A 52 5.241 -21.696 11.408 1.00 0.00 C ATOM 824 OG1 THR A 52 4.515 -21.300 10.253 1.00 0.00 O ATOM 825 CG2 THR A 52 5.819 -20.460 12.099 1.00 0.00 C ATOM 0 H THR A 52 5.567 -23.627 9.331 1.00 0.00 H new ATOM 0 HA THR A 52 7.336 -22.146 11.175 1.00 0.00 H new ATOM 0 HB THR A 52 4.575 -22.214 12.098 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.714 -20.363 10.047 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.007 -19.795 12.393 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.377 -20.765 12.984 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.486 -19.938 11.413 1.00 0.00 H new ATOM 833 N GLY A 53 7.289 -24.091 12.705 1.00 0.00 N ATOM 834 CA GLY A 53 7.333 -25.275 13.555 1.00 0.00 C ATOM 835 C GLY A 53 8.773 -25.684 13.844 1.00 0.00 C ATOM 836 O GLY A 53 9.472 -26.025 12.903 1.00 0.00 O ATOM 837 OXT GLY A 53 9.157 -25.650 15.001 1.00 0.00 O ATOM 0 H GLY A 53 8.055 -23.434 12.852 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.813 -25.075 14.492 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.808 -26.097 13.068 1.00 0.00 H new TER 841 GLY A 53