USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 591 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 Set 1.1: A 65 GLN : amide:sc= -1.49 K(o=-0.18,f=-5!) USER MOD Set 1.2: A 67 LYS NZ :NH3+ -178:sc= 1.32 (180deg=1.31) USER MOD Set 2.1: A 6 THR OG1 : rot 119:sc= 0.805 USER MOD Set 2.2: A 17 GLN : amide:sc= 0.17 K(o=0.98,f=-1.7) USER MOD Single : A 2 SER OG : rot 146:sc= 1.28 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -167:sc=-0.00216 (180deg=-0.173) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 147:sc= 1.28 (180deg=1.17) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= 1.59 (180deg=1.09) USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.1) USER MOD Single : A 21 SER OG : rot -75:sc= 1.22 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -150:sc= 1.28 (180deg=-0.443) USER MOD Single : A 34 HIS : no HD1:sc= -0.697 X(o=-0.7,f=-0.81) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 0.671 (180deg=0.489) USER MOD Single : A 46 MET CE :methyl 159:sc= 0 (180deg=-0.145) USER MOD Single : A 48 MET CE :methyl 172:sc= -2.18! (180deg=-2.6!) USER MOD Single : A 50 SER OG : rot -104:sc= 1.43 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.13) USER MOD Single : A 61 MET CE :methyl -179:sc= -0.656 (180deg=-0.664) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 1.2 (180deg=1.05) USER MOD Single : B 12 TYR OH : rot -116:sc= 2.06 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -17.369 3.424 -5.556 1.00 10.00 N ATOM 9 CA SER A 2 -16.779 4.066 -4.398 1.00 10.00 C ATOM 10 C SER A 2 -16.718 5.572 -4.599 1.00 10.00 C ATOM 11 O SER A 2 -16.446 6.057 -5.699 1.00 10.00 O ATOM 12 CB SER A 2 -15.378 3.523 -4.135 1.00 10.00 C ATOM 13 OG SER A 2 -14.828 4.082 -2.952 1.00 10.00 O ATOM 0 HA SER A 2 -17.407 3.848 -3.534 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.416 2.437 -4.044 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.732 3.750 -4.983 1.00 10.00 H new ATOM 0 HG SER A 2 -14.261 3.417 -2.509 1.00 10.00 H new ATOM 19 N HIS A 3 -16.978 6.310 -3.532 1.00 10.00 N ATOM 20 CA HIS A 3 -16.944 7.765 -3.586 1.00 10.00 C ATOM 21 C HIS A 3 -15.718 8.283 -2.854 1.00 10.00 C ATOM 22 O HIS A 3 -15.583 9.481 -2.604 1.00 10.00 O ATOM 23 CB HIS A 3 -18.218 8.359 -2.977 1.00 10.00 C ATOM 24 CG HIS A 3 -19.453 8.040 -3.759 1.00 10.00 C ATOM 25 ND1 HIS A 3 -19.989 8.928 -4.662 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.206 6.915 -3.745 1.00 10.00 C ATOM 27 CE1 HIS A 3 -21.047 8.323 -5.179 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.213 7.105 -4.653 1.00 10.00 N ATOM 0 H HIS A 3 -17.215 5.927 -2.617 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.889 8.073 -4.630 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.334 7.986 -1.960 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -18.109 9.441 -2.909 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -20.044 6.038 -3.136 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -21.692 8.757 -5.928 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -21.952 6.441 -4.885 1.00 10.00 H new ATOM 36 N MET A 4 -14.827 7.362 -2.520 1.00 10.00 N ATOM 37 CA MET A 4 -13.600 7.695 -1.816 1.00 10.00 C ATOM 38 C MET A 4 -12.436 7.759 -2.798 1.00 10.00 C ATOM 39 O MET A 4 -12.629 7.655 -4.011 1.00 10.00 O ATOM 40 CB MET A 4 -13.308 6.655 -0.727 1.00 10.00 C ATOM 41 CG MET A 4 -14.478 6.402 0.213 1.00 10.00 C ATOM 42 SD MET A 4 -14.960 7.869 1.148 1.00 10.00 S ATOM 43 CE MET A 4 -13.577 8.021 2.277 1.00 10.00 C ATOM 0 H MET A 4 -14.934 6.369 -2.728 1.00 10.00 H new ATOM 0 HA MET A 4 -13.724 8.670 -1.344 1.00 10.00 H new ATOM 0 HB2 MET A 4 -13.026 5.715 -1.202 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.450 6.987 -0.142 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.332 6.049 -0.365 1.00 10.00 H new ATOM 0 HG3 MET A 4 -14.213 5.605 0.908 1.00 10.00 H new ATOM 0 HE1 MET A 4 -13.828 8.730 3.066 1.00 10.00 H new ATOM 0 HE2 MET A 4 -13.360 7.049 2.719 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.701 8.377 1.734 1.00 10.00 H new ATOM 53 N ALA A 5 -11.234 7.935 -2.275 1.00 10.00 N ATOM 54 CA ALA A 5 -10.048 8.005 -3.107 1.00 10.00 C ATOM 55 C ALA A 5 -9.389 6.636 -3.220 1.00 10.00 C ATOM 56 O ALA A 5 -9.382 5.855 -2.263 1.00 10.00 O ATOM 57 CB ALA A 5 -9.071 9.025 -2.543 1.00 10.00 C ATOM 0 H ALA A 5 -11.055 8.032 -1.275 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.344 8.322 -4.107 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.185 9.069 -3.176 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.545 10.006 -2.515 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.782 8.732 -1.534 1.00 10.00 H new ATOM 63 N THR A 6 -8.843 6.339 -4.387 1.00 10.00 N ATOM 64 CA THR A 6 -8.188 5.064 -4.615 1.00 10.00 C ATOM 65 C THR A 6 -6.686 5.256 -4.805 1.00 10.00 C ATOM 66 O THR A 6 -6.248 6.004 -5.682 1.00 10.00 O ATOM 67 CB THR A 6 -8.785 4.345 -5.836 1.00 10.00 C ATOM 68 OG1 THR A 6 -8.985 5.273 -6.911 1.00 10.00 O ATOM 69 CG2 THR A 6 -10.107 3.682 -5.477 1.00 10.00 C ATOM 0 H THR A 6 -8.841 6.965 -5.192 1.00 10.00 H new ATOM 0 HA THR A 6 -8.355 4.444 -3.735 1.00 10.00 H new ATOM 0 HB THR A 6 -8.082 3.575 -6.154 1.00 10.00 H new ATOM 0 HG1 THR A 6 -8.452 4.996 -7.686 1.00 10.00 H new ATOM 0 HG21 THR A 6 -10.512 3.179 -6.355 1.00 10.00 H new ATOM 0 HG22 THR A 6 -9.945 2.952 -4.684 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.813 4.439 -5.135 1.00 10.00 H new ATOM 77 N VAL A 7 -5.903 4.585 -3.976 1.00 10.00 N ATOM 78 CA VAL A 7 -4.455 4.691 -4.040 1.00 10.00 C ATOM 79 C VAL A 7 -3.865 3.545 -4.853 1.00 10.00 C ATOM 80 O VAL A 7 -4.242 2.384 -4.672 1.00 10.00 O ATOM 81 CB VAL A 7 -3.822 4.686 -2.631 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.467 5.370 -2.645 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.744 5.345 -1.615 1.00 10.00 C ATOM 0 H VAL A 7 -6.248 3.959 -3.248 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.226 5.640 -4.525 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.678 3.647 -2.334 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -2.041 5.354 -1.642 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.801 4.845 -3.330 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.584 6.403 -2.973 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.274 5.328 -0.632 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.931 6.378 -1.910 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.688 4.802 -1.575 1.00 10.00 H new ATOM 93 N LYS A 8 -2.953 3.880 -5.753 1.00 10.00 N ATOM 94 CA LYS A 8 -2.300 2.883 -6.592 1.00 10.00 C ATOM 95 C LYS A 8 -0.931 2.533 -6.023 1.00 10.00 C ATOM 96 O LYS A 8 -0.216 3.406 -5.535 1.00 10.00 O ATOM 97 CB LYS A 8 -2.163 3.388 -8.030 1.00 10.00 C ATOM 98 CG LYS A 8 -3.474 3.394 -8.798 1.00 10.00 C ATOM 99 CD LYS A 8 -3.339 4.121 -10.123 1.00 10.00 C ATOM 100 CE LYS A 8 -4.610 3.998 -10.948 1.00 10.00 C ATOM 101 NZ LYS A 8 -4.611 4.918 -12.114 1.00 10.00 N ATOM 0 H LYS A 8 -2.647 4.838 -5.922 1.00 10.00 H new ATOM 0 HA LYS A 8 -2.918 1.985 -6.603 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.756 4.399 -8.014 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.444 2.763 -8.559 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.797 2.368 -8.976 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.247 3.872 -8.197 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -3.119 5.173 -9.943 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.498 3.711 -10.682 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -4.717 2.971 -11.297 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -5.473 4.212 -10.317 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -5.496 4.801 -12.648 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -4.535 5.900 -11.781 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.803 4.698 -12.730 1.00 10.00 H new ATOM 115 N PHE A 9 -0.580 1.258 -6.074 1.00 10.00 N ATOM 116 CA PHE A 9 0.695 0.801 -5.549 1.00 10.00 C ATOM 117 C PHE A 9 1.391 -0.126 -6.525 1.00 10.00 C ATOM 118 O PHE A 9 0.803 -1.102 -6.994 1.00 10.00 O ATOM 119 CB PHE A 9 0.493 0.064 -4.223 1.00 10.00 C ATOM 120 CG PHE A 9 -0.177 0.887 -3.170 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.510 0.683 -2.859 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.529 1.858 -2.482 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.128 1.432 -1.880 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.083 2.611 -1.504 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.415 2.396 -1.200 1.00 10.00 C ATOM 0 H PHE A 9 -1.161 0.521 -6.474 1.00 10.00 H new ATOM 0 HA PHE A 9 1.318 1.682 -5.392 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.101 -0.832 -4.403 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.463 -0.266 -3.850 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.073 -0.071 -3.389 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.570 2.027 -2.714 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.169 1.264 -1.646 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.477 3.368 -0.975 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.896 2.982 -0.431 1.00 10.00 H new ATOM 135 N LYS A 10 2.640 0.183 -6.825 1.00 10.00 N ATOM 136 CA LYS A 10 3.436 -0.640 -7.715 1.00 10.00 C ATOM 137 C LYS A 10 4.157 -1.709 -6.898 1.00 10.00 C ATOM 138 O LYS A 10 5.316 -1.549 -6.511 1.00 10.00 O ATOM 139 CB LYS A 10 4.433 0.228 -8.487 1.00 10.00 C ATOM 140 CG LYS A 10 5.274 -0.543 -9.488 1.00 10.00 C ATOM 141 CD LYS A 10 6.322 0.355 -10.113 1.00 10.00 C ATOM 142 CE LYS A 10 7.444 -0.451 -10.731 1.00 10.00 C ATOM 143 NZ LYS A 10 8.642 0.386 -10.995 1.00 10.00 N ATOM 0 H LYS A 10 3.126 1.003 -6.462 1.00 10.00 H new ATOM 0 HA LYS A 10 2.788 -1.130 -8.442 1.00 10.00 H new ATOM 0 HB2 LYS A 10 3.887 1.011 -9.013 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.095 0.723 -7.776 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.758 -1.384 -8.992 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.633 -0.958 -10.266 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.859 0.981 -10.876 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.728 1.025 -9.355 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.713 -1.271 -10.065 1.00 10.00 H new ATOM 0 HE3 LYS A 10 7.100 -0.898 -11.664 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 9.500 -0.188 -10.873 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 8.604 0.749 -11.969 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.662 1.184 -10.329 1.00 10.00 H new ATOM 157 N TYR A 11 3.449 -2.792 -6.619 1.00 10.00 N ATOM 158 CA TYR A 11 3.994 -3.886 -5.833 1.00 10.00 C ATOM 159 C TYR A 11 4.504 -4.993 -6.755 1.00 10.00 C ATOM 160 O TYR A 11 3.780 -5.463 -7.632 1.00 10.00 O ATOM 161 CB TYR A 11 2.925 -4.410 -4.857 1.00 10.00 C ATOM 162 CG TYR A 11 2.571 -5.874 -5.028 1.00 10.00 C ATOM 163 CD1 TYR A 11 3.332 -6.858 -4.424 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.481 -6.265 -5.795 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.023 -8.196 -4.578 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.167 -7.601 -5.955 1.00 10.00 C ATOM 167 CZ TYR A 11 1.942 -8.562 -5.344 1.00 10.00 C ATOM 168 OH TYR A 11 1.631 -9.894 -5.495 1.00 10.00 O ATOM 0 H TYR A 11 2.488 -2.937 -6.928 1.00 10.00 H new ATOM 0 HA TYR A 11 4.840 -3.527 -5.246 1.00 10.00 H new ATOM 0 HB2 TYR A 11 3.276 -4.252 -3.837 1.00 10.00 H new ATOM 0 HB3 TYR A 11 2.020 -3.815 -4.978 1.00 10.00 H new ATOM 0 HD1 TYR A 11 4.183 -6.576 -3.821 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.870 -5.514 -6.273 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.628 -8.951 -4.098 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.318 -7.890 -6.556 1.00 10.00 H new ATOM 0 HH TYR A 11 0.839 -9.982 -6.065 1.00 10.00 H new ATOM 178 N LYS A 12 5.769 -5.371 -6.574 1.00 10.00 N ATOM 179 CA LYS A 12 6.409 -6.417 -7.375 1.00 10.00 C ATOM 180 C LYS A 12 6.398 -6.068 -8.867 1.00 10.00 C ATOM 181 O LYS A 12 6.695 -6.909 -9.713 1.00 10.00 O ATOM 182 CB LYS A 12 5.722 -7.769 -7.158 1.00 10.00 C ATOM 183 CG LYS A 12 6.156 -8.484 -5.887 1.00 10.00 C ATOM 184 CD LYS A 12 7.625 -8.871 -5.930 1.00 10.00 C ATOM 185 CE LYS A 12 7.979 -9.847 -4.819 1.00 10.00 C ATOM 186 NZ LYS A 12 9.434 -10.132 -4.785 1.00 10.00 N ATOM 0 H LYS A 12 6.380 -4.961 -5.868 1.00 10.00 H new ATOM 0 HA LYS A 12 7.445 -6.486 -7.044 1.00 10.00 H new ATOM 0 HB2 LYS A 12 4.643 -7.616 -7.127 1.00 10.00 H new ATOM 0 HB3 LYS A 12 5.929 -8.412 -8.014 1.00 10.00 H new ATOM 0 HG2 LYS A 12 5.975 -7.839 -5.027 1.00 10.00 H new ATOM 0 HG3 LYS A 12 5.549 -9.378 -5.748 1.00 10.00 H new ATOM 0 HD2 LYS A 12 7.856 -9.319 -6.896 1.00 10.00 H new ATOM 0 HD3 LYS A 12 8.241 -7.976 -5.839 1.00 10.00 H new ATOM 0 HE2 LYS A 12 7.666 -9.436 -3.859 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.429 -10.777 -4.962 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 9.684 -10.555 -3.868 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 9.676 -10.794 -5.549 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 9.964 -9.247 -4.913 1.00 10.00 H new ATOM 200 N GLY A 13 6.073 -4.822 -9.181 1.00 10.00 N ATOM 201 CA GLY A 13 6.004 -4.396 -10.563 1.00 10.00 C ATOM 202 C GLY A 13 4.569 -4.329 -11.052 1.00 10.00 C ATOM 203 O GLY A 13 4.287 -3.760 -12.107 1.00 10.00 O ATOM 0 H GLY A 13 5.855 -4.096 -8.499 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.471 -3.417 -10.667 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.570 -5.087 -11.187 1.00 10.00 H new ATOM 207 N GLU A 14 3.668 -4.905 -10.269 1.00 10.00 N ATOM 208 CA GLU A 14 2.251 -4.930 -10.591 1.00 10.00 C ATOM 209 C GLU A 14 1.548 -3.760 -9.919 1.00 10.00 C ATOM 210 O GLU A 14 1.731 -3.524 -8.723 1.00 10.00 O ATOM 211 CB GLU A 14 1.625 -6.244 -10.117 1.00 10.00 C ATOM 212 CG GLU A 14 0.162 -6.405 -10.507 1.00 10.00 C ATOM 213 CD GLU A 14 -0.606 -7.312 -9.563 1.00 10.00 C ATOM 214 OE1 GLU A 14 -0.109 -8.409 -9.239 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.723 -6.935 -9.145 1.00 10.00 O ATOM 0 H GLU A 14 3.901 -5.369 -9.391 1.00 10.00 H new ATOM 0 HA GLU A 14 2.135 -4.850 -11.672 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.195 -7.076 -10.530 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.711 -6.306 -9.032 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.313 -5.424 -10.527 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.103 -6.808 -11.518 1.00 10.00 H new ATOM 222 N GLU A 15 0.751 -3.034 -10.679 1.00 10.00 N ATOM 223 CA GLU A 15 0.032 -1.893 -10.141 1.00 10.00 C ATOM 224 C GLU A 15 -1.302 -2.326 -9.543 1.00 10.00 C ATOM 225 O GLU A 15 -2.213 -2.742 -10.263 1.00 10.00 O ATOM 226 CB GLU A 15 -0.200 -0.841 -11.230 1.00 10.00 C ATOM 227 CG GLU A 15 -0.888 0.420 -10.726 1.00 10.00 C ATOM 228 CD GLU A 15 -1.178 1.409 -11.833 1.00 10.00 C ATOM 229 OE1 GLU A 15 -0.417 2.384 -11.974 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.169 1.209 -12.570 1.00 10.00 O ATOM 0 H GLU A 15 0.584 -3.213 -11.669 1.00 10.00 H new ATOM 0 HA GLU A 15 0.641 -1.454 -9.351 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.759 -0.569 -11.671 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -0.803 -1.280 -12.025 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.822 0.148 -10.234 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -0.259 0.897 -9.974 1.00 10.00 H new ATOM 237 N LYS A 16 -1.401 -2.252 -8.226 1.00 10.00 N ATOM 238 CA LYS A 16 -2.627 -2.603 -7.525 1.00 10.00 C ATOM 239 C LYS A 16 -3.301 -1.332 -7.041 1.00 10.00 C ATOM 240 O LYS A 16 -2.627 -0.363 -6.704 1.00 10.00 O ATOM 241 CB LYS A 16 -2.341 -3.515 -6.328 1.00 10.00 C ATOM 242 CG LYS A 16 -2.211 -4.990 -6.677 1.00 10.00 C ATOM 243 CD LYS A 16 -2.808 -5.871 -5.584 1.00 10.00 C ATOM 244 CE LYS A 16 -2.266 -7.291 -5.636 1.00 10.00 C ATOM 245 NZ LYS A 16 -2.653 -8.000 -6.888 1.00 10.00 N ATOM 0 H LYS A 16 -0.641 -1.950 -7.616 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.278 -3.141 -8.214 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.420 -3.185 -5.848 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -3.141 -3.396 -5.597 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.715 -5.188 -7.623 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -1.160 -5.242 -6.817 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -2.591 -5.436 -4.609 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.893 -5.893 -5.689 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.179 -7.265 -5.557 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -2.635 -7.850 -4.776 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.066 -8.851 -7.000 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.655 -8.274 -6.836 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -2.508 -7.370 -7.703 1.00 10.00 H new ATOM 259 N GLN A 17 -4.620 -1.322 -7.018 1.00 10.00 N ATOM 260 CA GLN A 17 -5.348 -0.150 -6.562 1.00 10.00 C ATOM 261 C GLN A 17 -6.155 -0.496 -5.320 1.00 10.00 C ATOM 262 O GLN A 17 -6.996 -1.395 -5.347 1.00 10.00 O ATOM 263 CB GLN A 17 -6.258 0.387 -7.669 1.00 10.00 C ATOM 264 CG GLN A 17 -6.914 1.717 -7.327 1.00 10.00 C ATOM 265 CD GLN A 17 -7.211 2.569 -8.548 1.00 10.00 C ATOM 266 OE1 GLN A 17 -7.197 3.798 -8.477 1.00 10.00 O ATOM 267 NE2 GLN A 17 -7.492 1.931 -9.675 1.00 10.00 N ATOM 0 H GLN A 17 -5.207 -2.105 -7.307 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.633 0.633 -6.309 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.675 0.503 -8.583 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -7.035 -0.349 -7.878 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.843 1.529 -6.789 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -6.262 2.274 -6.653 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -7.494 0.911 -9.697 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -7.706 2.460 -10.521 1.00 10.00 H new ATOM 276 N VAL A 18 -5.885 0.206 -4.233 1.00 10.00 N ATOM 277 CA VAL A 18 -6.576 -0.032 -2.977 1.00 10.00 C ATOM 278 C VAL A 18 -7.342 1.209 -2.538 1.00 10.00 C ATOM 279 O VAL A 18 -6.826 2.326 -2.607 1.00 10.00 O ATOM 280 CB VAL A 18 -5.590 -0.438 -1.860 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.329 -0.725 -0.563 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.763 -1.641 -2.283 1.00 10.00 C ATOM 0 H VAL A 18 -5.188 0.950 -4.195 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.275 -0.851 -3.145 1.00 10.00 H new ATOM 0 HB VAL A 18 -4.913 0.399 -1.687 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.613 -1.009 0.208 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -6.869 0.168 -0.247 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.036 -1.540 -0.720 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.075 -1.910 -1.481 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.424 -2.482 -2.491 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.196 -1.395 -3.181 1.00 10.00 H new ATOM 292 N ASP A 19 -8.576 1.006 -2.106 1.00 10.00 N ATOM 293 CA ASP A 19 -9.418 2.095 -1.638 1.00 10.00 C ATOM 294 C ASP A 19 -8.917 2.610 -0.294 1.00 10.00 C ATOM 295 O ASP A 19 -8.513 1.824 0.565 1.00 10.00 O ATOM 296 CB ASP A 19 -10.855 1.607 -1.498 1.00 10.00 C ATOM 297 CG ASP A 19 -11.851 2.740 -1.386 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.819 3.468 -0.373 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.681 2.892 -2.303 1.00 10.00 O ATOM 0 H ASP A 19 -9.020 0.088 -2.070 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.379 2.908 -2.363 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.110 0.989 -2.359 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -10.934 0.972 -0.616 1.00 10.00 H new ATOM 304 N ILE A 20 -8.961 3.924 -0.108 1.00 10.00 N ATOM 305 CA ILE A 20 -8.499 4.539 1.131 1.00 10.00 C ATOM 306 C ILE A 20 -9.322 4.066 2.335 1.00 10.00 C ATOM 307 O ILE A 20 -8.805 3.968 3.448 1.00 10.00 O ATOM 308 CB ILE A 20 -8.532 6.086 1.044 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.882 6.710 2.286 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.959 6.591 0.878 1.00 10.00 C ATOM 311 CD1 ILE A 20 -7.721 8.215 2.201 1.00 10.00 C ATOM 0 H ILE A 20 -9.312 4.585 -0.801 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.466 4.222 1.273 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.961 6.388 0.166 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -8.485 6.467 3.161 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.902 6.257 2.438 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.955 7.679 0.819 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.386 6.180 -0.037 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.558 6.276 1.732 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -7.255 8.583 3.115 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -7.093 8.466 1.346 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -8.700 8.679 2.080 1.00 10.00 H new ATOM 323 N SER A 21 -10.590 3.733 2.105 1.00 10.00 N ATOM 324 CA SER A 21 -11.460 3.281 3.186 1.00 10.00 C ATOM 325 C SER A 21 -11.219 1.804 3.508 1.00 10.00 C ATOM 326 O SER A 21 -11.765 1.270 4.476 1.00 10.00 O ATOM 327 CB SER A 21 -12.932 3.523 2.826 1.00 10.00 C ATOM 328 OG SER A 21 -13.289 2.883 1.610 1.00 10.00 O ATOM 0 H SER A 21 -11.034 3.767 1.188 1.00 10.00 H new ATOM 0 HA SER A 21 -11.220 3.861 4.077 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.568 3.155 3.631 1.00 10.00 H new ATOM 0 HB3 SER A 21 -13.114 4.594 2.740 1.00 10.00 H new ATOM 0 HG SER A 21 -12.922 3.388 0.855 1.00 10.00 H new ATOM 334 N LYS A 22 -10.395 1.151 2.697 1.00 10.00 N ATOM 335 CA LYS A 22 -10.086 -0.260 2.898 1.00 10.00 C ATOM 336 C LYS A 22 -8.706 -0.429 3.525 1.00 10.00 C ATOM 337 O LYS A 22 -8.342 -1.520 3.959 1.00 10.00 O ATOM 338 CB LYS A 22 -10.165 -1.021 1.571 1.00 10.00 C ATOM 339 CG LYS A 22 -11.590 -1.200 1.064 1.00 10.00 C ATOM 340 CD LYS A 22 -11.624 -1.854 -0.306 1.00 10.00 C ATOM 341 CE LYS A 22 -13.051 -2.002 -0.813 1.00 10.00 C ATOM 342 NZ LYS A 22 -13.102 -2.634 -2.157 1.00 10.00 N ATOM 0 H LYS A 22 -9.929 1.575 1.895 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.826 -0.675 3.582 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.583 -0.488 0.819 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.705 -2.001 1.694 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -12.153 -1.809 1.771 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -12.083 -0.229 1.015 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -11.046 -1.257 -1.011 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -11.150 -2.834 -0.255 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.626 -2.603 -0.108 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -13.524 -1.021 -0.856 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -14.092 -2.716 -2.465 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -12.576 -2.048 -2.836 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -12.674 -3.581 -2.112 1.00 10.00 H new ATOM 356 N ILE A 23 -7.943 0.655 3.575 1.00 10.00 N ATOM 357 CA ILE A 23 -6.606 0.621 4.155 1.00 10.00 C ATOM 358 C ILE A 23 -6.692 0.530 5.674 1.00 10.00 C ATOM 359 O ILE A 23 -7.440 1.275 6.309 1.00 10.00 O ATOM 360 CB ILE A 23 -5.776 1.865 3.766 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.790 2.059 2.248 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.345 1.727 4.272 1.00 10.00 C ATOM 363 CD1 ILE A 23 -5.009 3.267 1.775 1.00 10.00 C ATOM 0 H ILE A 23 -8.227 1.569 3.221 1.00 10.00 H new ATOM 0 HA ILE A 23 -6.105 -0.261 3.757 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.224 2.743 4.232 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -5.381 1.166 1.774 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.823 2.153 1.913 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.773 2.611 3.990 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.351 1.629 5.358 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.887 0.842 3.830 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -5.067 3.335 0.689 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.430 4.169 2.218 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.966 3.167 2.077 1.00 10.00 H new ATOM 375 N LEU A 24 -5.932 -0.388 6.252 1.00 10.00 N ATOM 376 CA LEU A 24 -5.930 -0.573 7.693 1.00 10.00 C ATOM 377 C LEU A 24 -4.813 0.238 8.341 1.00 10.00 C ATOM 378 O LEU A 24 -5.070 1.112 9.169 1.00 10.00 O ATOM 379 CB LEU A 24 -5.777 -2.054 8.042 1.00 10.00 C ATOM 380 CG LEU A 24 -6.874 -2.969 7.493 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.523 -4.428 7.741 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.219 -2.628 8.120 1.00 10.00 C ATOM 0 H LEU A 24 -5.309 -1.016 5.744 1.00 10.00 H new ATOM 0 HA LEU A 24 -6.884 -0.218 8.082 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.814 -2.402 7.667 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -5.751 -2.154 9.127 1.00 10.00 H new ATOM 0 HG LEU A 24 -6.948 -2.811 6.417 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.314 -5.065 7.344 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.582 -4.665 7.244 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.421 -4.601 8.812 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -8.986 -3.289 7.717 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.160 -2.757 9.201 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.475 -1.593 7.892 1.00 10.00 H new ATOM 394 N SER A 25 -3.571 -0.043 7.960 1.00 10.00 N ATOM 395 CA SER A 25 -2.432 0.666 8.522 1.00 10.00 C ATOM 396 C SER A 25 -1.225 0.615 7.589 1.00 10.00 C ATOM 397 O SER A 25 -0.929 -0.425 6.994 1.00 10.00 O ATOM 398 CB SER A 25 -2.065 0.061 9.878 1.00 10.00 C ATOM 399 OG SER A 25 -2.041 -1.355 9.815 1.00 10.00 O ATOM 0 H SER A 25 -3.331 -0.753 7.268 1.00 10.00 H new ATOM 0 HA SER A 25 -2.714 1.711 8.649 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.089 0.431 10.193 1.00 10.00 H new ATOM 0 HB3 SER A 25 -2.785 0.383 10.630 1.00 10.00 H new ATOM 0 HG SER A 25 -1.802 -1.718 10.694 1.00 10.00 H new ATOM 405 N VAL A 26 -0.545 1.746 7.452 1.00 10.00 N ATOM 406 CA VAL A 26 0.639 1.833 6.609 1.00 10.00 C ATOM 407 C VAL A 26 1.891 1.976 7.473 1.00 10.00 C ATOM 408 O VAL A 26 1.920 2.780 8.409 1.00 10.00 O ATOM 409 CB VAL A 26 0.551 3.030 5.632 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.735 3.036 4.674 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.759 3.003 4.860 1.00 10.00 C ATOM 0 H VAL A 26 -0.795 2.619 7.916 1.00 10.00 H new ATOM 0 HA VAL A 26 0.697 0.914 6.025 1.00 10.00 H new ATOM 0 HB VAL A 26 0.583 3.947 6.221 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.651 3.886 3.997 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.662 3.114 5.242 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.740 2.112 4.096 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.798 3.854 4.180 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.825 2.078 4.288 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.594 3.058 5.558 1.00 10.00 H new ATOM 421 N GLY A 27 2.916 1.188 7.163 1.00 10.00 N ATOM 422 CA GLY A 27 4.150 1.243 7.921 1.00 10.00 C ATOM 423 C GLY A 27 5.357 1.489 7.042 1.00 10.00 C ATOM 424 O GLY A 27 5.698 0.667 6.188 1.00 10.00 O ATOM 0 H GLY A 27 2.913 0.512 6.399 1.00 10.00 H new ATOM 0 HA2 GLY A 27 4.080 2.035 8.667 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.283 0.306 8.462 1.00 10.00 H new ATOM 428 N ARG A 28 6.006 2.624 7.249 1.00 10.00 N ATOM 429 CA ARG A 28 7.181 2.983 6.473 1.00 10.00 C ATOM 430 C ARG A 28 8.443 2.422 7.120 1.00 10.00 C ATOM 431 O ARG A 28 8.921 2.950 8.120 1.00 10.00 O ATOM 432 CB ARG A 28 7.293 4.505 6.344 1.00 10.00 C ATOM 433 CG ARG A 28 8.434 4.959 5.448 1.00 10.00 C ATOM 434 CD ARG A 28 8.825 6.401 5.730 1.00 10.00 C ATOM 435 NE ARG A 28 9.919 6.842 4.865 1.00 10.00 N ATOM 436 CZ ARG A 28 11.075 7.333 5.306 1.00 10.00 C ATOM 437 NH1 ARG A 28 11.305 7.464 6.610 1.00 10.00 N ATOM 438 NH2 ARG A 28 12.012 7.685 4.430 1.00 10.00 N ATOM 0 H ARG A 28 5.737 3.314 7.950 1.00 10.00 H new ATOM 0 HA ARG A 28 7.076 2.551 5.478 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.355 4.898 5.951 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.428 4.936 7.336 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.297 4.311 5.600 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.140 4.859 4.403 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.960 7.048 5.583 1.00 10.00 H new ATOM 0 HD3 ARG A 28 9.123 6.500 6.774 1.00 10.00 H new ATOM 0 HE ARG A 28 9.787 6.768 3.856 1.00 10.00 H new ATOM 0 HH11 ARG A 28 10.591 7.187 7.284 1.00 10.00 H new ATOM 0 HH12 ARG A 28 12.195 7.842 6.936 1.00 10.00 H new ATOM 0 HH21 ARG A 28 11.841 7.578 3.430 1.00 10.00 H new ATOM 0 HH22 ARG A 28 12.901 8.062 4.758 1.00 10.00 H new ATOM 452 N TYR A 29 8.984 1.362 6.531 1.00 10.00 N ATOM 453 CA TYR A 29 10.198 0.728 7.044 1.00 10.00 C ATOM 454 C TYR A 29 11.437 1.491 6.588 1.00 10.00 C ATOM 455 O TYR A 29 12.568 1.092 6.859 1.00 10.00 O ATOM 456 CB TYR A 29 10.285 -0.728 6.571 1.00 10.00 C ATOM 457 CG TYR A 29 9.495 -1.702 7.417 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.111 -1.620 7.509 1.00 10.00 C ATOM 459 CD2 TYR A 29 10.140 -2.711 8.123 1.00 10.00 C ATOM 460 CE1 TYR A 29 7.393 -2.514 8.283 1.00 10.00 C ATOM 461 CE2 TYR A 29 9.429 -3.606 8.896 1.00 10.00 C ATOM 462 CZ TYR A 29 8.056 -3.504 8.972 1.00 10.00 C ATOM 463 OH TYR A 29 7.347 -4.395 9.745 1.00 10.00 O ATOM 0 H TYR A 29 8.601 0.920 5.695 1.00 10.00 H new ATOM 0 HA TYR A 29 10.153 0.746 8.133 1.00 10.00 H new ATOM 0 HB2 TYR A 29 9.930 -0.786 5.542 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.331 -1.035 6.565 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.587 -0.846 6.968 1.00 10.00 H new ATOM 0 HD2 TYR A 29 11.215 -2.796 8.066 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.318 -2.435 8.346 1.00 10.00 H new ATOM 0 HE2 TYR A 29 9.946 -4.383 9.439 1.00 10.00 H new ATOM 0 HH TYR A 29 7.966 -5.030 10.163 1.00 10.00 H new ATOM 473 N GLY A 30 11.209 2.586 5.885 1.00 10.00 N ATOM 474 CA GLY A 30 12.295 3.396 5.387 1.00 10.00 C ATOM 475 C GLY A 30 12.190 3.586 3.892 1.00 10.00 C ATOM 476 O GLY A 30 11.488 4.478 3.424 1.00 10.00 O ATOM 0 H GLY A 30 10.279 2.931 5.648 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.285 4.367 5.882 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.247 2.924 5.631 1.00 10.00 H new ATOM 480 N LYS A 31 12.872 2.737 3.141 1.00 10.00 N ATOM 481 CA LYS A 31 12.835 2.805 1.689 1.00 10.00 C ATOM 482 C LYS A 31 11.681 1.955 1.170 1.00 10.00 C ATOM 483 O LYS A 31 11.094 2.246 0.126 1.00 10.00 O ATOM 484 CB LYS A 31 14.163 2.328 1.099 1.00 10.00 C ATOM 485 CG LYS A 31 15.353 3.204 1.473 1.00 10.00 C ATOM 486 CD LYS A 31 15.209 4.610 0.907 1.00 10.00 C ATOM 487 CE LYS A 31 14.773 5.606 1.972 1.00 10.00 C ATOM 488 NZ LYS A 31 14.361 6.908 1.385 1.00 10.00 N ATOM 0 H LYS A 31 13.459 1.991 3.514 1.00 10.00 H new ATOM 0 HA LYS A 31 12.681 3.839 1.382 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.354 1.309 1.435 1.00 10.00 H new ATOM 0 HB3 LYS A 31 14.076 2.294 0.013 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.442 3.255 2.558 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.271 2.752 1.098 1.00 10.00 H new ATOM 0 HD2 LYS A 31 16.159 4.929 0.479 1.00 10.00 H new ATOM 0 HD3 LYS A 31 14.481 4.603 0.096 1.00 10.00 H new ATOM 0 HE2 LYS A 31 13.944 5.187 2.542 1.00 10.00 H new ATOM 0 HE3 LYS A 31 15.592 5.768 2.673 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.559 7.672 2.062 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 14.893 7.077 0.507 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 13.343 6.887 1.174 1.00 10.00 H new ATOM 502 N LEU A 32 11.359 0.907 1.918 1.00 10.00 N ATOM 503 CA LEU A 32 10.268 0.015 1.562 1.00 10.00 C ATOM 504 C LEU A 32 9.077 0.257 2.480 1.00 10.00 C ATOM 505 O LEU A 32 9.180 0.121 3.700 1.00 10.00 O ATOM 506 CB LEU A 32 10.707 -1.451 1.659 1.00 10.00 C ATOM 507 CG LEU A 32 11.412 -2.028 0.422 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.832 -3.467 0.677 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.508 -1.946 -0.801 1.00 10.00 C ATOM 0 H LEU A 32 11.843 0.655 2.780 1.00 10.00 H new ATOM 0 HA LEU A 32 9.980 0.223 0.532 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.375 -1.553 2.514 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.827 -2.060 1.868 1.00 10.00 H new ATOM 0 HG LEU A 32 12.305 -1.434 0.227 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.330 -3.863 -0.208 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.516 -3.502 1.525 1.00 10.00 H new ATOM 0 HD13 LEU A 32 10.951 -4.070 0.897 1.00 10.00 H new ATOM 0 HD21 LEU A 32 11.027 -2.360 -1.666 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.596 -2.515 -0.618 1.00 10.00 H new ATOM 0 HD23 LEU A 32 10.253 -0.904 -0.996 1.00 10.00 H new ATOM 521 N ILE A 33 7.955 0.632 1.896 1.00 10.00 N ATOM 522 CA ILE A 33 6.745 0.896 2.657 1.00 10.00 C ATOM 523 C ILE A 33 5.788 -0.289 2.574 1.00 10.00 C ATOM 524 O ILE A 33 5.265 -0.599 1.504 1.00 10.00 O ATOM 525 CB ILE A 33 6.021 2.160 2.147 1.00 10.00 C ATOM 526 CG1 ILE A 33 7.015 3.304 1.958 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.919 2.566 3.113 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.443 4.488 1.206 1.00 10.00 C ATOM 0 H ILE A 33 7.855 0.762 0.889 1.00 10.00 H new ATOM 0 HA ILE A 33 7.046 1.055 3.692 1.00 10.00 H new ATOM 0 HB ILE A 33 5.568 1.934 1.182 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.361 3.638 2.936 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.887 2.931 1.422 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.418 3.459 2.739 1.00 10.00 H new ATOM 0 HG22 ILE A 33 4.196 1.755 3.202 1.00 10.00 H new ATOM 0 HG23 ILE A 33 5.352 2.776 4.091 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.206 5.261 1.110 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.123 4.169 0.214 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.588 4.887 1.752 1.00 10.00 H new ATOM 540 N HIS A 34 5.569 -0.947 3.700 1.00 10.00 N ATOM 541 CA HIS A 34 4.674 -2.093 3.755 1.00 10.00 C ATOM 542 C HIS A 34 3.399 -1.706 4.494 1.00 10.00 C ATOM 543 O HIS A 34 3.450 -1.115 5.574 1.00 10.00 O ATOM 544 CB HIS A 34 5.363 -3.280 4.440 1.00 10.00 C ATOM 545 CG HIS A 34 4.506 -4.506 4.557 1.00 10.00 C ATOM 546 ND1 HIS A 34 4.226 -5.366 3.513 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.865 -5.015 5.640 1.00 10.00 C ATOM 548 CE1 HIS A 34 3.447 -6.346 3.985 1.00 10.00 C ATOM 549 NE2 HIS A 34 3.196 -6.178 5.271 1.00 10.00 N ATOM 0 H HIS A 34 6.000 -0.707 4.593 1.00 10.00 H new ATOM 0 HA HIS A 34 4.416 -2.397 2.741 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.265 -3.533 3.883 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.680 -2.975 5.438 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.873 -4.585 6.631 1.00 10.00 H new ATOM 0 HE1 HIS A 34 3.072 -7.167 3.392 1.00 10.00 H new ATOM 0 HE2 HIS A 34 2.629 -6.777 5.870 1.00 10.00 H new ATOM 557 N PHE A 35 2.260 -2.037 3.918 1.00 10.00 N ATOM 558 CA PHE A 35 0.980 -1.692 4.516 1.00 10.00 C ATOM 559 C PHE A 35 0.029 -2.877 4.537 1.00 10.00 C ATOM 560 O PHE A 35 0.251 -3.884 3.860 1.00 10.00 O ATOM 561 CB PHE A 35 0.342 -0.534 3.744 1.00 10.00 C ATOM 562 CG PHE A 35 0.383 -0.719 2.251 1.00 10.00 C ATOM 563 CD1 PHE A 35 -0.574 -1.488 1.607 1.00 10.00 C ATOM 564 CD2 PHE A 35 1.382 -0.128 1.495 1.00 10.00 C ATOM 565 CE1 PHE A 35 -0.534 -1.665 0.239 1.00 10.00 C ATOM 566 CE2 PHE A 35 1.426 -0.302 0.127 1.00 10.00 C ATOM 567 CZ PHE A 35 0.468 -1.072 -0.502 1.00 10.00 C ATOM 0 H PHE A 35 2.192 -2.545 3.036 1.00 10.00 H new ATOM 0 HA PHE A 35 1.166 -1.394 5.548 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.695 -0.423 4.061 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.855 0.392 4.003 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -1.360 -1.954 2.183 1.00 10.00 H new ATOM 0 HD2 PHE A 35 2.134 0.475 1.981 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -1.285 -2.266 -0.251 1.00 10.00 H new ATOM 0 HE2 PHE A 35 2.210 0.164 -0.452 1.00 10.00 H new ATOM 0 HZ PHE A 35 0.503 -1.210 -1.573 1.00 10.00 H new ATOM 577 N LEU A 36 -1.025 -2.742 5.327 1.00 10.00 N ATOM 578 CA LEU A 36 -2.047 -3.770 5.448 1.00 10.00 C ATOM 579 C LEU A 36 -3.407 -3.163 5.136 1.00 10.00 C ATOM 580 O LEU A 36 -3.722 -2.065 5.603 1.00 10.00 O ATOM 581 CB LEU A 36 -2.061 -4.362 6.861 1.00 10.00 C ATOM 582 CG LEU A 36 -0.814 -5.153 7.262 1.00 10.00 C ATOM 583 CD1 LEU A 36 -0.869 -5.514 8.736 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.684 -6.409 6.417 1.00 10.00 C ATOM 0 H LEU A 36 -1.196 -1.917 5.902 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.824 -4.570 4.742 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.198 -3.549 7.574 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -2.928 -5.016 6.952 1.00 10.00 H new ATOM 0 HG LEU A 36 0.061 -4.527 7.088 1.00 10.00 H new ATOM 0 HD11 LEU A 36 0.025 -6.076 9.006 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -0.919 -4.603 9.332 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.753 -6.122 8.929 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.208 -6.958 6.717 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.563 -7.038 6.562 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.604 -6.133 5.365 1.00 10.00 H new ATOM 596 N TYR A 37 -4.202 -3.858 4.342 1.00 10.00 N ATOM 597 CA TYR A 37 -5.525 -3.371 3.987 1.00 10.00 C ATOM 598 C TYR A 37 -6.524 -4.516 4.021 1.00 10.00 C ATOM 599 O TYR A 37 -6.138 -5.679 3.915 1.00 10.00 O ATOM 600 CB TYR A 37 -5.512 -2.688 2.610 1.00 10.00 C ATOM 601 CG TYR A 37 -5.393 -3.627 1.425 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.524 -4.048 0.737 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.153 -4.072 0.982 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.425 -4.888 -0.356 1.00 10.00 C ATOM 605 CE2 TYR A 37 -4.047 -4.915 -0.106 1.00 10.00 C ATOM 606 CZ TYR A 37 -5.185 -5.318 -0.772 1.00 10.00 C ATOM 607 OH TYR A 37 -5.079 -6.151 -1.861 1.00 10.00 O ATOM 0 H TYR A 37 -3.957 -4.759 3.931 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.829 -2.622 4.719 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.428 -2.106 2.502 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.681 -1.983 2.580 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.498 -3.713 1.062 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.259 -3.753 1.497 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -7.314 -5.205 -0.880 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -3.077 -5.257 -0.434 1.00 10.00 H new ATOM 0 HH TYR A 37 -4.135 -6.360 -2.023 1.00 10.00 H new ATOM 617 N ASP A 38 -7.795 -4.193 4.183 1.00 10.00 N ATOM 618 CA ASP A 38 -8.833 -5.208 4.238 1.00 10.00 C ATOM 619 C ASP A 38 -9.230 -5.632 2.834 1.00 10.00 C ATOM 620 O ASP A 38 -9.461 -4.793 1.963 1.00 10.00 O ATOM 621 CB ASP A 38 -10.051 -4.693 5.000 1.00 10.00 C ATOM 622 CG ASP A 38 -10.979 -5.809 5.449 1.00 10.00 C ATOM 623 OD1 ASP A 38 -11.979 -5.506 6.131 1.00 10.00 O ATOM 624 OD2 ASP A 38 -10.714 -6.989 5.132 1.00 10.00 O ATOM 0 H ASP A 38 -8.134 -3.236 4.279 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.438 -6.075 4.768 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.717 -4.131 5.872 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.604 -4.000 4.366 1.00 10.00 H new ATOM 629 N LEU A 39 -9.304 -6.932 2.623 1.00 10.00 N ATOM 630 CA LEU A 39 -9.660 -7.471 1.325 1.00 10.00 C ATOM 631 C LEU A 39 -11.123 -7.887 1.305 1.00 10.00 C ATOM 632 O LEU A 39 -11.803 -7.756 0.284 1.00 10.00 O ATOM 633 CB LEU A 39 -8.762 -8.662 0.991 1.00 10.00 C ATOM 634 CG LEU A 39 -9.116 -9.402 -0.296 1.00 10.00 C ATOM 635 CD1 LEU A 39 -7.921 -9.438 -1.233 1.00 10.00 C ATOM 636 CD2 LEU A 39 -9.585 -10.809 0.024 1.00 10.00 C ATOM 0 H LEU A 39 -9.121 -7.637 3.337 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.514 -6.697 0.571 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -7.733 -8.311 0.918 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -8.800 -9.369 1.820 1.00 10.00 H new ATOM 0 HG LEU A 39 -9.926 -8.870 -0.795 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -8.190 -9.969 -2.146 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -7.622 -8.419 -1.481 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.092 -9.951 -0.746 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -9.835 -11.328 -0.901 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -8.791 -11.349 0.540 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -10.466 -10.762 0.663 1.00 10.00 H new ATOM 648 N GLY A 40 -11.602 -8.385 2.432 1.00 10.00 N ATOM 649 CA GLY A 40 -12.980 -8.812 2.520 1.00 10.00 C ATOM 650 C GLY A 40 -13.119 -10.322 2.612 1.00 10.00 C ATOM 651 O GLY A 40 -12.315 -11.065 2.047 1.00 10.00 O ATOM 0 H GLY A 40 -11.060 -8.501 3.289 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.443 -8.354 3.394 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.524 -8.453 1.646 1.00 10.00 H new ATOM 655 N GLY A 41 -14.143 -10.777 3.325 1.00 10.00 N ATOM 656 CA GLY A 41 -14.369 -12.200 3.477 1.00 10.00 C ATOM 657 C GLY A 41 -13.647 -12.773 4.678 1.00 10.00 C ATOM 658 O GLY A 41 -13.668 -13.986 4.908 1.00 10.00 O ATOM 0 H GLY A 41 -14.822 -10.183 3.801 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.438 -12.387 3.576 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -14.037 -12.716 2.576 1.00 10.00 H new ATOM 662 N GLY A 42 -13.005 -11.906 5.442 1.00 10.00 N ATOM 663 CA GLY A 42 -12.282 -12.343 6.615 1.00 10.00 C ATOM 664 C GLY A 42 -10.798 -12.106 6.478 1.00 10.00 C ATOM 665 O GLY A 42 -10.182 -11.479 7.339 1.00 10.00 O ATOM 0 H GLY A 42 -12.972 -10.901 5.269 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.656 -11.813 7.491 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.467 -13.404 6.782 1.00 10.00 H new ATOM 669 N LYS A 43 -10.223 -12.594 5.387 1.00 10.00 N ATOM 670 CA LYS A 43 -8.798 -12.428 5.147 1.00 10.00 C ATOM 671 C LYS A 43 -8.516 -11.023 4.635 1.00 10.00 C ATOM 672 O LYS A 43 -9.373 -10.392 4.008 1.00 10.00 O ATOM 673 CB LYS A 43 -8.269 -13.475 4.151 1.00 10.00 C ATOM 674 CG LYS A 43 -8.599 -13.177 2.692 1.00 10.00 C ATOM 675 CD LYS A 43 -8.058 -14.246 1.757 1.00 10.00 C ATOM 676 CE LYS A 43 -6.534 -14.223 1.666 1.00 10.00 C ATOM 677 NZ LYS A 43 -5.984 -12.839 1.545 1.00 10.00 N ATOM 0 H LYS A 43 -10.720 -13.106 4.658 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.277 -12.577 6.093 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.187 -13.548 4.259 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -8.682 -14.449 4.413 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.680 -13.104 2.572 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.181 -12.209 2.416 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -8.384 -15.227 2.104 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -8.481 -14.103 0.763 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -6.114 -14.700 2.551 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -6.217 -14.812 0.806 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -4.953 -12.885 1.419 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -6.413 -12.366 0.724 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -6.203 -12.302 2.408 1.00 10.00 H new ATOM 691 N ALA A 44 -7.321 -10.536 4.899 1.00 10.00 N ATOM 692 CA ALA A 44 -6.935 -9.208 4.467 1.00 10.00 C ATOM 693 C ALA A 44 -5.855 -9.282 3.397 1.00 10.00 C ATOM 694 O ALA A 44 -5.516 -10.366 2.906 1.00 10.00 O ATOM 695 CB ALA A 44 -6.457 -8.385 5.656 1.00 10.00 C ATOM 0 H ALA A 44 -6.598 -11.041 5.412 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.807 -8.718 4.034 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.170 -7.389 5.318 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.261 -8.302 6.388 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.598 -8.874 6.115 1.00 10.00 H new ATOM 701 N GLY A 45 -5.334 -8.126 3.033 1.00 10.00 N ATOM 702 CA GLY A 45 -4.299 -8.059 2.035 1.00 10.00 C ATOM 703 C GLY A 45 -3.143 -7.205 2.493 1.00 10.00 C ATOM 704 O GLY A 45 -3.273 -6.427 3.443 1.00 10.00 O ATOM 0 H GLY A 45 -5.615 -7.224 3.417 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.943 -9.065 1.810 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.709 -7.652 1.111 1.00 10.00 H new ATOM 708 N MET A 46 -2.018 -7.342 1.824 1.00 10.00 N ATOM 709 CA MET A 46 -0.830 -6.583 2.170 1.00 10.00 C ATOM 710 C MET A 46 -0.154 -6.087 0.902 1.00 10.00 C ATOM 711 O MET A 46 -0.429 -6.588 -0.189 1.00 10.00 O ATOM 712 CB MET A 46 0.138 -7.441 2.992 1.00 10.00 C ATOM 713 CG MET A 46 0.654 -8.665 2.254 1.00 10.00 C ATOM 714 SD MET A 46 1.651 -9.737 3.309 1.00 10.00 S ATOM 715 CE MET A 46 1.946 -11.112 2.206 1.00 10.00 C ATOM 0 H MET A 46 -1.899 -7.975 1.033 1.00 10.00 H new ATOM 0 HA MET A 46 -1.122 -5.726 2.777 1.00 10.00 H new ATOM 0 HB2 MET A 46 0.986 -6.827 3.294 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.363 -7.763 3.905 1.00 10.00 H new ATOM 0 HG2 MET A 46 -0.190 -9.231 1.860 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.250 -8.346 1.399 1.00 10.00 H new ATOM 0 HE1 MET A 46 2.821 -11.667 2.543 1.00 10.00 H new ATOM 0 HE2 MET A 46 1.077 -11.770 2.205 1.00 10.00 H new ATOM 0 HE3 MET A 46 2.120 -10.738 1.197 1.00 10.00 H new ATOM 725 N GLY A 47 0.710 -5.103 1.047 1.00 10.00 N ATOM 726 CA GLY A 47 1.412 -4.560 -0.095 1.00 10.00 C ATOM 727 C GLY A 47 2.644 -3.793 0.319 1.00 10.00 C ATOM 728 O GLY A 47 2.684 -3.212 1.405 1.00 10.00 O ATOM 0 H GLY A 47 0.941 -4.666 1.939 1.00 10.00 H new ATOM 0 HA2 GLY A 47 1.697 -5.370 -0.766 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.745 -3.903 -0.653 1.00 10.00 H new ATOM 732 N MET A 48 3.653 -3.801 -0.531 1.00 10.00 N ATOM 733 CA MET A 48 4.890 -3.101 -0.244 1.00 10.00 C ATOM 734 C MET A 48 5.371 -2.322 -1.464 1.00 10.00 C ATOM 735 O MET A 48 5.587 -2.887 -2.538 1.00 10.00 O ATOM 736 CB MET A 48 5.955 -4.098 0.211 1.00 10.00 C ATOM 737 CG MET A 48 7.192 -3.447 0.795 1.00 10.00 C ATOM 738 SD MET A 48 8.194 -4.611 1.742 1.00 10.00 S ATOM 739 CE MET A 48 8.486 -5.885 0.515 1.00 10.00 C ATOM 0 H MET A 48 3.640 -4.286 -1.428 1.00 10.00 H new ATOM 0 HA MET A 48 4.708 -2.386 0.558 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.521 -4.765 0.956 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.247 -4.716 -0.638 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.793 -3.025 -0.011 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.895 -2.619 1.439 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.207 -6.605 0.902 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.549 -6.395 0.290 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.879 -5.431 -0.395 1.00 10.00 H new ATOM 749 N VAL A 49 5.526 -1.020 -1.291 1.00 10.00 N ATOM 750 CA VAL A 49 5.983 -0.150 -2.364 1.00 10.00 C ATOM 751 C VAL A 49 7.215 0.620 -1.890 1.00 10.00 C ATOM 752 O VAL A 49 7.373 0.856 -0.697 1.00 10.00 O ATOM 753 CB VAL A 49 4.867 0.828 -2.814 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.553 1.849 -1.729 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.239 1.515 -4.118 1.00 10.00 C ATOM 0 H VAL A 49 5.341 -0.539 -0.411 1.00 10.00 H new ATOM 0 HA VAL A 49 6.243 -0.762 -3.228 1.00 10.00 H new ATOM 0 HB VAL A 49 3.964 0.242 -2.987 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.767 2.519 -2.077 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.218 1.333 -0.829 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.449 2.427 -1.503 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.440 2.195 -4.412 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.163 2.077 -3.982 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.382 0.765 -4.896 1.00 10.00 H new ATOM 765 N SER A 50 8.097 0.987 -2.803 1.00 10.00 N ATOM 766 CA SER A 50 9.296 1.719 -2.426 1.00 10.00 C ATOM 767 C SER A 50 9.061 3.221 -2.538 1.00 10.00 C ATOM 768 O SER A 50 8.148 3.661 -3.240 1.00 10.00 O ATOM 769 CB SER A 50 10.470 1.296 -3.314 1.00 10.00 C ATOM 770 OG SER A 50 10.551 2.098 -4.480 1.00 10.00 O ATOM 0 H SER A 50 8.009 0.793 -3.801 1.00 10.00 H new ATOM 0 HA SER A 50 9.537 1.485 -1.389 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.400 1.374 -2.751 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.356 0.250 -3.597 1.00 10.00 H new ATOM 0 HG SER A 50 10.216 1.592 -5.249 1.00 10.00 H new ATOM 776 N GLU A 51 9.893 4.011 -1.861 1.00 10.00 N ATOM 777 CA GLU A 51 9.770 5.466 -1.903 1.00 10.00 C ATOM 778 C GLU A 51 10.146 6.000 -3.285 1.00 10.00 C ATOM 779 O GLU A 51 9.944 7.176 -3.589 1.00 10.00 O ATOM 780 CB GLU A 51 10.651 6.114 -0.832 1.00 10.00 C ATOM 781 CG GLU A 51 10.213 5.792 0.588 1.00 10.00 C ATOM 782 CD GLU A 51 10.537 6.897 1.573 1.00 10.00 C ATOM 783 OE1 GLU A 51 11.724 7.283 1.681 1.00 10.00 O ATOM 784 OE2 GLU A 51 9.609 7.380 2.258 1.00 10.00 O ATOM 0 H GLU A 51 10.657 3.669 -1.279 1.00 10.00 H new ATOM 0 HA GLU A 51 8.730 5.722 -1.701 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.680 5.783 -0.970 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.642 7.195 -0.970 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.139 5.608 0.598 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.698 4.871 0.912 1.00 10.00 H new ATOM 791 N LYS A 52 10.693 5.121 -4.115 1.00 10.00 N ATOM 792 CA LYS A 52 11.090 5.477 -5.470 1.00 10.00 C ATOM 793 C LYS A 52 9.962 5.176 -6.447 1.00 10.00 C ATOM 794 O LYS A 52 9.962 5.652 -7.581 1.00 10.00 O ATOM 795 CB LYS A 52 12.334 4.693 -5.894 1.00 10.00 C ATOM 796 CG LYS A 52 13.614 5.152 -5.224 1.00 10.00 C ATOM 797 CD LYS A 52 14.783 4.270 -5.624 1.00 10.00 C ATOM 798 CE LYS A 52 16.117 4.919 -5.295 1.00 10.00 C ATOM 799 NZ LYS A 52 17.257 4.005 -5.565 1.00 10.00 N ATOM 0 H LYS A 52 10.873 4.147 -3.870 1.00 10.00 H new ATOM 0 HA LYS A 52 11.314 6.544 -5.483 1.00 10.00 H new ATOM 0 HB2 LYS A 52 12.178 3.637 -5.671 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.452 4.777 -6.974 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.823 6.186 -5.500 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.490 5.129 -4.141 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.708 3.312 -5.110 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.733 4.063 -6.693 1.00 10.00 H new ATOM 0 HE2 LYS A 52 16.233 5.829 -5.884 1.00 10.00 H new ATOM 0 HE3 LYS A 52 16.129 5.214 -4.246 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 18.149 4.484 -5.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 17.159 3.148 -4.985 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 17.261 3.743 -6.571 1.00 10.00 H new ATOM 813 N ASP A 53 9.003 4.375 -6.001 1.00 10.00 N ATOM 814 CA ASP A 53 7.878 3.993 -6.844 1.00 10.00 C ATOM 815 C ASP A 53 6.581 4.629 -6.361 1.00 10.00 C ATOM 816 O ASP A 53 5.576 4.623 -7.073 1.00 10.00 O ATOM 817 CB ASP A 53 7.731 2.468 -6.881 1.00 10.00 C ATOM 818 CG ASP A 53 8.920 1.773 -7.520 1.00 10.00 C ATOM 819 OD1 ASP A 53 9.059 1.837 -8.760 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.717 1.154 -6.784 1.00 10.00 O ATOM 0 H ASP A 53 8.982 3.978 -5.062 1.00 10.00 H new ATOM 0 HA ASP A 53 8.080 4.357 -7.851 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.603 2.096 -5.864 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.827 2.209 -7.432 1.00 10.00 H new ATOM 825 N ALA A 54 6.600 5.166 -5.151 1.00 10.00 N ATOM 826 CA ALA A 54 5.422 5.808 -4.583 1.00 10.00 C ATOM 827 C ALA A 54 5.464 7.314 -4.828 1.00 10.00 C ATOM 828 O ALA A 54 6.304 8.015 -4.262 1.00 10.00 O ATOM 829 CB ALA A 54 5.323 5.511 -3.092 1.00 10.00 C ATOM 0 H ALA A 54 7.418 5.171 -4.542 1.00 10.00 H new ATOM 0 HA ALA A 54 4.537 5.405 -5.075 1.00 10.00 H new ATOM 0 HB1 ALA A 54 4.438 5.997 -2.682 1.00 10.00 H new ATOM 0 HB2 ALA A 54 5.249 4.434 -2.940 1.00 10.00 H new ATOM 0 HB3 ALA A 54 6.212 5.888 -2.586 1.00 10.00 H new ATOM 835 N PRO A 55 4.566 7.826 -5.686 1.00 10.00 N ATOM 836 CA PRO A 55 4.497 9.261 -6.010 1.00 10.00 C ATOM 837 C PRO A 55 4.221 10.126 -4.780 1.00 10.00 C ATOM 838 O PRO A 55 3.576 9.677 -3.834 1.00 10.00 O ATOM 839 CB PRO A 55 3.328 9.351 -6.993 1.00 10.00 C ATOM 840 CG PRO A 55 3.146 7.975 -7.525 1.00 10.00 C ATOM 841 CD PRO A 55 3.551 7.048 -6.418 1.00 10.00 C ATOM 0 HA PRO A 55 5.441 9.629 -6.412 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.424 9.702 -6.496 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.544 10.056 -7.796 1.00 10.00 H new ATOM 0 HG2 PRO A 55 2.110 7.804 -7.818 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.759 7.815 -8.412 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.706 6.787 -5.781 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.960 6.114 -6.803 1.00 10.00 H new ATOM 849 N LYS A 56 4.683 11.374 -4.817 1.00 10.00 N ATOM 850 CA LYS A 56 4.514 12.311 -3.703 1.00 10.00 C ATOM 851 C LYS A 56 3.055 12.452 -3.275 1.00 10.00 C ATOM 852 O LYS A 56 2.751 12.466 -2.079 1.00 10.00 O ATOM 853 CB LYS A 56 5.063 13.687 -4.082 1.00 10.00 C ATOM 854 CG LYS A 56 6.577 13.778 -4.046 1.00 10.00 C ATOM 855 CD LYS A 56 7.062 15.154 -4.476 1.00 10.00 C ATOM 856 CE LYS A 56 8.576 15.264 -4.414 1.00 10.00 C ATOM 857 NZ LYS A 56 9.066 16.540 -5.010 1.00 10.00 N ATOM 0 H LYS A 56 5.183 11.765 -5.615 1.00 10.00 H new ATOM 0 HA LYS A 56 5.071 11.902 -2.860 1.00 10.00 H new ATOM 0 HB2 LYS A 56 4.718 13.941 -5.084 1.00 10.00 H new ATOM 0 HB3 LYS A 56 4.648 14.432 -3.403 1.00 10.00 H new ATOM 0 HG2 LYS A 56 6.932 13.565 -3.038 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.004 13.019 -4.702 1.00 10.00 H new ATOM 0 HD2 LYS A 56 6.724 15.357 -5.492 1.00 10.00 H new ATOM 0 HD3 LYS A 56 6.616 15.914 -3.834 1.00 10.00 H new ATOM 0 HE2 LYS A 56 8.902 15.199 -3.376 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.023 14.422 -4.942 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.104 16.576 -4.948 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 8.777 16.591 -6.008 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 8.660 17.344 -4.491 1.00 10.00 H new ATOM 871 N GLU A 57 2.159 12.549 -4.247 1.00 10.00 N ATOM 872 CA GLU A 57 0.738 12.702 -3.964 1.00 10.00 C ATOM 873 C GLU A 57 0.199 11.513 -3.176 1.00 10.00 C ATOM 874 O GLU A 57 -0.477 11.687 -2.160 1.00 10.00 O ATOM 875 CB GLU A 57 -0.042 12.878 -5.263 1.00 10.00 C ATOM 876 CG GLU A 57 -1.536 13.074 -5.066 1.00 10.00 C ATOM 877 CD GLU A 57 -2.185 13.809 -6.219 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.809 13.551 -7.383 1.00 10.00 O ATOM 879 OE2 GLU A 57 -3.073 14.649 -5.970 1.00 10.00 O ATOM 0 H GLU A 57 2.391 12.524 -5.240 1.00 10.00 H new ATOM 0 HA GLU A 57 0.610 13.594 -3.351 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.359 13.737 -5.802 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.119 12.003 -5.893 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -2.013 12.101 -4.946 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.707 13.629 -4.144 1.00 10.00 H new ATOM 886 N LEU A 58 0.522 10.309 -3.633 1.00 10.00 N ATOM 887 CA LEU A 58 0.064 9.098 -2.969 1.00 10.00 C ATOM 888 C LEU A 58 0.800 8.908 -1.647 1.00 10.00 C ATOM 889 O LEU A 58 0.245 8.372 -0.689 1.00 10.00 O ATOM 890 CB LEU A 58 0.265 7.881 -3.881 1.00 10.00 C ATOM 891 CG LEU A 58 -0.416 7.977 -5.251 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.264 6.677 -6.021 1.00 10.00 C ATOM 893 CD2 LEU A 58 -1.886 8.335 -5.098 1.00 10.00 C ATOM 0 H LEU A 58 1.098 10.147 -4.459 1.00 10.00 H new ATOM 0 HA LEU A 58 -1.001 9.196 -2.758 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.334 7.733 -4.033 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.109 6.995 -3.367 1.00 10.00 H new ATOM 0 HG LEU A 58 0.074 8.770 -5.816 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -0.755 6.768 -6.990 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.795 6.464 -6.169 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -0.722 5.864 -5.457 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.350 8.398 -6.083 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.388 7.568 -4.509 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -1.976 9.297 -4.593 1.00 10.00 H new ATOM 905 N LEU A 59 2.045 9.374 -1.602 1.00 10.00 N ATOM 906 CA LEU A 59 2.866 9.280 -0.400 1.00 10.00 C ATOM 907 C LEU A 59 2.208 10.040 0.749 1.00 10.00 C ATOM 908 O LEU A 59 2.160 9.559 1.881 1.00 10.00 O ATOM 909 CB LEU A 59 4.264 9.843 -0.670 1.00 10.00 C ATOM 910 CG LEU A 59 5.330 9.471 0.360 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.688 7.995 0.253 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.569 10.334 0.173 1.00 10.00 C ATOM 0 H LEU A 59 2.510 9.824 -2.391 1.00 10.00 H new ATOM 0 HA LEU A 59 2.957 8.230 -0.120 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.593 9.498 -1.650 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.196 10.930 -0.721 1.00 10.00 H new ATOM 0 HG LEU A 59 4.926 9.653 1.356 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.448 7.750 0.995 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.799 7.391 0.432 1.00 10.00 H new ATOM 0 HD13 LEU A 59 6.074 7.786 -0.745 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.320 10.058 0.913 1.00 10.00 H new ATOM 0 HD22 LEU A 59 6.972 10.180 -0.828 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.304 11.384 0.299 1.00 10.00 H new ATOM 924 N GLN A 60 1.684 11.224 0.440 1.00 10.00 N ATOM 925 CA GLN A 60 1.013 12.053 1.431 1.00 10.00 C ATOM 926 C GLN A 60 -0.245 11.352 1.940 1.00 10.00 C ATOM 927 O GLN A 60 -0.581 11.432 3.122 1.00 10.00 O ATOM 928 CB GLN A 60 0.668 13.425 0.833 1.00 10.00 C ATOM 929 CG GLN A 60 -0.147 14.326 1.758 1.00 10.00 C ATOM 930 CD GLN A 60 0.490 14.540 3.121 1.00 10.00 C ATOM 931 OE1 GLN A 60 -0.209 14.754 4.114 1.00 10.00 O ATOM 932 NE2 GLN A 60 1.810 14.493 3.185 1.00 10.00 N ATOM 0 H GLN A 60 1.713 11.630 -0.495 1.00 10.00 H new ATOM 0 HA GLN A 60 1.686 12.208 2.275 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.594 13.937 0.569 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.112 13.276 -0.092 1.00 10.00 H new ATOM 0 HG2 GLN A 60 -0.287 15.294 1.277 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -1.137 13.891 1.894 1.00 10.00 H new ATOM 0 HE21 GLN A 60 2.355 14.313 2.342 1.00 10.00 H new ATOM 0 HE22 GLN A 60 2.283 14.636 4.077 1.00 10.00 H new ATOM 941 N MET A 61 -0.921 10.645 1.045 1.00 10.00 N ATOM 942 CA MET A 61 -2.127 9.914 1.406 1.00 10.00 C ATOM 943 C MET A 61 -1.781 8.786 2.372 1.00 10.00 C ATOM 944 O MET A 61 -2.554 8.462 3.275 1.00 10.00 O ATOM 945 CB MET A 61 -2.808 9.351 0.157 1.00 10.00 C ATOM 946 CG MET A 61 -3.270 10.423 -0.819 1.00 10.00 C ATOM 947 SD MET A 61 -4.092 9.736 -2.271 1.00 10.00 S ATOM 948 CE MET A 61 -5.578 9.065 -1.530 1.00 10.00 C ATOM 0 H MET A 61 -0.655 10.562 0.064 1.00 10.00 H new ATOM 0 HA MET A 61 -2.819 10.600 1.894 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.116 8.681 -0.353 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.667 8.752 0.460 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.952 11.104 -0.309 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.411 11.013 -1.138 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.185 8.588 -2.300 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.307 8.328 -0.774 1.00 10.00 H new ATOM 0 HE3 MET A 61 -6.148 9.869 -1.065 1.00 10.00 H new ATOM 958 N LEU A 62 -0.602 8.204 2.184 1.00 10.00 N ATOM 959 CA LEU A 62 -0.132 7.126 3.043 1.00 10.00 C ATOM 960 C LEU A 62 0.226 7.666 4.419 1.00 10.00 C ATOM 961 O LEU A 62 0.103 6.966 5.422 1.00 10.00 O ATOM 962 CB LEU A 62 1.082 6.435 2.425 1.00 10.00 C ATOM 963 CG LEU A 62 0.838 5.812 1.052 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.096 5.117 0.549 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.330 4.839 1.106 1.00 10.00 C ATOM 0 H LEU A 62 0.047 8.463 1.441 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.935 6.396 3.145 1.00 10.00 H new ATOM 0 HB2 LEU A 62 1.891 7.161 2.340 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.424 5.656 3.106 1.00 10.00 H new ATOM 0 HG LEU A 62 0.585 6.609 0.352 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.903 4.679 -0.430 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.905 5.843 0.469 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.382 4.331 1.248 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.488 4.405 0.119 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -0.110 4.045 1.820 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -1.230 5.368 1.419 1.00 10.00 H new ATOM 977 N GLU A 63 0.664 8.920 4.455 1.00 10.00 N ATOM 978 CA GLU A 63 1.026 9.579 5.706 1.00 10.00 C ATOM 979 C GLU A 63 -0.197 9.716 6.608 1.00 10.00 C ATOM 980 O GLU A 63 -0.079 9.773 7.833 1.00 10.00 O ATOM 981 CB GLU A 63 1.624 10.960 5.427 1.00 10.00 C ATOM 982 CG GLU A 63 3.016 10.908 4.824 1.00 10.00 C ATOM 983 CD GLU A 63 4.101 10.911 5.876 1.00 10.00 C ATOM 984 OE1 GLU A 63 4.343 11.977 6.480 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.717 9.850 6.108 1.00 10.00 O ATOM 0 H GLU A 63 0.778 9.504 3.627 1.00 10.00 H new ATOM 0 HA GLU A 63 1.772 8.967 6.213 1.00 10.00 H new ATOM 0 HB2 GLU A 63 0.964 11.503 4.750 1.00 10.00 H new ATOM 0 HB3 GLU A 63 1.661 11.526 6.358 1.00 10.00 H new ATOM 0 HG2 GLU A 63 3.110 10.011 4.212 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.154 11.762 4.161 1.00 10.00 H new ATOM 992 N LYS A 64 -1.374 9.760 5.991 1.00 10.00 N ATOM 993 CA LYS A 64 -2.627 9.887 6.725 1.00 10.00 C ATOM 994 C LYS A 64 -3.060 8.550 7.313 1.00 10.00 C ATOM 995 O LYS A 64 -3.879 8.500 8.231 1.00 10.00 O ATOM 996 CB LYS A 64 -3.730 10.410 5.809 1.00 10.00 C ATOM 997 CG LYS A 64 -3.479 11.812 5.280 1.00 10.00 C ATOM 998 CD LYS A 64 -4.603 12.256 4.359 1.00 10.00 C ATOM 999 CE LYS A 64 -4.423 13.696 3.910 1.00 10.00 C ATOM 1000 NZ LYS A 64 -5.536 14.139 3.031 1.00 10.00 N ATOM 0 H LYS A 64 -1.485 9.709 4.978 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.460 10.592 7.539 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.841 9.729 4.965 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.675 10.401 6.353 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -3.391 12.509 6.114 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -2.532 11.837 4.742 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -4.638 11.604 3.486 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -5.558 12.151 4.873 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -4.368 14.346 4.783 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -3.477 13.796 3.378 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -5.380 15.126 2.744 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -5.573 13.534 2.186 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -6.436 14.067 3.547 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.516 7.468 6.774 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.851 6.132 7.246 1.00 10.00 C ATOM 1016 C GLN A 65 -1.651 5.492 7.938 1.00 10.00 C ATOM 1017 O GLN A 65 -1.637 4.291 8.211 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.332 5.256 6.083 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.800 5.456 5.732 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.737 4.839 6.757 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -5.412 4.748 7.941 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.909 4.414 6.312 1.00 10.00 N ATOM 0 H GLN A 65 -1.841 7.489 6.010 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.661 6.216 7.971 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.725 5.470 5.203 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.168 4.209 6.337 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -5.008 6.523 5.651 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.999 5.018 4.754 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -7.143 4.506 5.324 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.578 3.994 6.958 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.640 6.304 8.211 1.00 10.00 N ATOM 1032 CA LYS A 66 0.558 5.826 8.878 1.00 10.00 C ATOM 1033 C LYS A 66 0.271 5.629 10.362 1.00 10.00 C ATOM 1034 O LYS A 66 0.132 6.595 11.114 1.00 10.00 O ATOM 1035 CB LYS A 66 1.710 6.812 8.677 1.00 10.00 C ATOM 1036 CG LYS A 66 3.039 6.315 9.221 1.00 10.00 C ATOM 1037 CD LYS A 66 4.202 7.176 8.742 1.00 10.00 C ATOM 1038 CE LYS A 66 4.141 8.584 9.311 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.186 9.464 8.726 1.00 10.00 N ATOM 0 H LYS A 66 -0.627 7.297 7.980 1.00 10.00 H new ATOM 0 HA LYS A 66 0.852 4.870 8.445 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.818 7.020 7.612 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.458 7.755 9.162 1.00 10.00 H new ATOM 0 HG2 LYS A 66 3.010 6.317 10.311 1.00 10.00 H new ATOM 0 HG3 LYS A 66 3.197 5.283 8.908 1.00 10.00 H new ATOM 0 HD2 LYS A 66 5.143 6.708 9.032 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.193 7.224 7.653 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.157 9.011 9.118 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.264 8.544 10.393 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 5.037 10.441 9.049 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 6.125 9.138 9.031 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 5.128 9.430 7.688 1.00 10.00 H new ATOM 1053 N LYS A 67 0.161 4.376 10.771 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.129 4.046 12.159 1.00 10.00 C ATOM 1055 C LYS A 67 1.001 3.224 12.756 1.00 10.00 C ATOM 1056 O LYS A 67 1.813 2.660 12.022 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.448 3.276 12.254 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.642 4.027 11.685 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.871 3.133 11.598 1.00 10.00 C ATOM 1060 CE LYS A 67 -5.073 3.879 11.041 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.238 2.975 10.822 1.00 10.00 N ATOM 0 H LYS A 67 0.268 3.567 10.160 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.221 4.973 12.724 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.343 2.328 11.727 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.645 3.039 13.300 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.863 4.891 12.312 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.396 4.407 10.693 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.651 2.273 10.965 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -4.110 2.746 12.589 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.356 4.675 11.729 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.800 4.354 10.099 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -7.025 3.516 10.410 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -5.966 2.210 10.172 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.537 2.567 11.731 1.00 10.00 H new ATOM 1105 N GLU B 6 -2.024 -13.429 -1.277 1.00 10.00 N ATOM 1106 CA GLU B 6 -1.044 -12.406 -1.613 1.00 10.00 C ATOM 1107 C GLU B 6 0.319 -12.761 -1.019 1.00 10.00 C ATOM 1108 O GLU B 6 0.410 -13.185 0.136 1.00 10.00 O ATOM 1109 CB GLU B 6 -1.503 -11.023 -1.128 1.00 10.00 C ATOM 1110 CG GLU B 6 -1.851 -10.941 0.355 1.00 10.00 C ATOM 1111 CD GLU B 6 -3.222 -11.502 0.676 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -4.231 -10.871 0.294 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -3.297 -12.581 1.306 1.00 10.00 O ATOM 0 HA GLU B 6 -0.951 -12.366 -2.698 1.00 10.00 H new ATOM 0 HB2 GLU B 6 -0.715 -10.300 -1.341 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -2.376 -10.723 -1.708 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -1.100 -11.483 0.929 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -1.807 -9.900 0.675 1.00 10.00 H new ATOM 1120 N GLU B 7 1.370 -12.612 -1.819 1.00 10.00 N ATOM 1121 CA GLU B 7 2.725 -12.928 -1.374 1.00 10.00 C ATOM 1122 C GLU B 7 3.702 -11.829 -1.774 1.00 10.00 C ATOM 1123 O GLU B 7 3.529 -11.182 -2.810 1.00 10.00 O ATOM 1124 CB GLU B 7 3.199 -14.251 -1.981 1.00 10.00 C ATOM 1125 CG GLU B 7 2.076 -15.218 -2.318 1.00 10.00 C ATOM 1126 CD GLU B 7 2.572 -16.458 -3.022 1.00 10.00 C ATOM 1127 OE1 GLU B 7 2.615 -17.528 -2.381 1.00 10.00 O ATOM 1128 OE2 GLU B 7 2.920 -16.369 -4.217 1.00 10.00 O ATOM 0 H GLU B 7 1.311 -12.274 -2.780 1.00 10.00 H new ATOM 0 HA GLU B 7 2.699 -13.011 -0.287 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.766 -14.040 -2.888 1.00 10.00 H new ATOM 0 HB3 GLU B 7 3.883 -14.734 -1.283 1.00 10.00 H new ATOM 0 HG2 GLU B 7 1.562 -15.506 -1.401 1.00 10.00 H new ATOM 0 HG3 GLU B 7 1.344 -14.714 -2.949 1.00 10.00 H new ATOM 1135 N GLU B 8 4.722 -11.628 -0.947 1.00 10.00 N ATOM 1136 CA GLU B 8 5.752 -10.624 -1.204 1.00 10.00 C ATOM 1137 C GLU B 8 7.124 -11.176 -0.837 1.00 10.00 C ATOM 1138 O GLU B 8 7.269 -12.370 -0.560 1.00 10.00 O ATOM 1139 CB GLU B 8 5.493 -9.347 -0.403 1.00 10.00 C ATOM 1140 CG GLU B 8 4.136 -8.726 -0.666 1.00 10.00 C ATOM 1141 CD GLU B 8 4.110 -7.239 -0.391 1.00 10.00 C ATOM 1142 OE1 GLU B 8 3.772 -6.475 -1.320 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.434 -6.832 0.746 1.00 10.00 O ATOM 0 H GLU B 8 4.859 -12.153 -0.083 1.00 10.00 H new ATOM 0 HA GLU B 8 5.722 -10.382 -2.266 1.00 10.00 H new ATOM 0 HB2 GLU B 8 5.580 -9.572 0.660 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.268 -8.618 -0.639 1.00 10.00 H new ATOM 0 HG2 GLU B 8 3.855 -8.904 -1.704 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.389 -9.219 -0.044 1.00 10.00 H new ATOM 1150 N GLY B 9 8.131 -10.309 -0.847 1.00 10.00 N ATOM 1151 CA GLY B 9 9.469 -10.732 -0.497 1.00 10.00 C ATOM 1152 C GLY B 9 10.532 -9.913 -1.192 1.00 10.00 C ATOM 1153 O GLY B 9 10.964 -10.257 -2.293 1.00 10.00 O ATOM 0 H GLY B 9 8.042 -9.323 -1.091 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.601 -10.654 0.582 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.595 -11.783 -0.758 1.00 10.00 H new ATOM 1157 N GLU B 10 10.941 -8.827 -0.554 1.00 10.00 N ATOM 1158 CA GLU B 10 11.964 -7.944 -1.105 1.00 10.00 C ATOM 1159 C GLU B 10 13.226 -8.022 -0.259 1.00 10.00 C ATOM 1160 O GLU B 10 13.161 -8.304 0.939 1.00 10.00 O ATOM 1161 CB GLU B 10 11.465 -6.495 -1.150 1.00 10.00 C ATOM 1162 CG GLU B 10 10.897 -6.070 -2.494 1.00 10.00 C ATOM 1163 CD GLU B 10 9.972 -7.107 -3.102 1.00 10.00 C ATOM 1164 OE1 GLU B 10 10.332 -7.679 -4.156 1.00 10.00 O ATOM 1165 OE2 GLU B 10 8.895 -7.371 -2.522 1.00 10.00 O ATOM 0 H GLU B 10 10.578 -8.532 0.353 1.00 10.00 H new ATOM 0 HA GLU B 10 12.185 -8.269 -2.122 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.698 -6.363 -0.387 1.00 10.00 H new ATOM 0 HB3 GLU B 10 12.290 -5.831 -0.891 1.00 10.00 H new ATOM 0 HG2 GLU B 10 10.353 -5.133 -2.372 1.00 10.00 H new ATOM 0 HG3 GLU B 10 11.718 -5.875 -3.184 1.00 10.00 H new ATOM 1172 N GLU B 11 14.369 -7.778 -0.874 1.00 10.00 N ATOM 1173 CA GLU B 11 15.631 -7.811 -0.160 1.00 10.00 C ATOM 1174 C GLU B 11 16.097 -6.392 0.129 1.00 10.00 C ATOM 1175 O GLU B 11 16.474 -5.653 -0.783 1.00 10.00 O ATOM 1176 CB GLU B 11 16.684 -8.566 -0.968 1.00 10.00 C ATOM 1177 CG GLU B 11 17.839 -9.084 -0.130 1.00 10.00 C ATOM 1178 CD GLU B 11 17.384 -10.031 0.964 1.00 10.00 C ATOM 1179 OE1 GLU B 11 17.179 -9.575 2.109 1.00 10.00 O ATOM 1180 OE2 GLU B 11 17.239 -11.239 0.689 1.00 10.00 O ATOM 0 H GLU B 11 14.449 -7.555 -1.866 1.00 10.00 H new ATOM 0 HA GLU B 11 15.488 -8.335 0.785 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.208 -9.406 -1.474 1.00 10.00 H new ATOM 0 HB3 GLU B 11 17.076 -7.908 -1.743 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.552 -9.596 -0.776 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.365 -8.241 0.319 1.00 10.00 H new ATOM 1187 N TYR B 12 16.045 -6.014 1.397 1.00 10.00 N ATOM 1188 CA TYR B 12 16.449 -4.683 1.821 1.00 10.00 C ATOM 1189 C TYR B 12 17.939 -4.468 1.580 1.00 10.00 C ATOM 1190 O TYR B 12 18.779 -5.042 2.279 1.00 10.00 O ATOM 1191 CB TYR B 12 16.125 -4.480 3.303 1.00 10.00 C ATOM 1192 CG TYR B 12 15.421 -3.176 3.598 1.00 10.00 C ATOM 1193 CD1 TYR B 12 16.017 -1.958 3.295 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.158 -3.163 4.175 1.00 10.00 C ATOM 1195 CE1 TYR B 12 15.375 -0.764 3.560 1.00 10.00 C ATOM 1196 CE2 TYR B 12 13.508 -1.971 4.443 1.00 10.00 C ATOM 1197 CZ TYR B 12 14.122 -0.779 4.133 1.00 10.00 C ATOM 1198 OH TYR B 12 13.481 0.408 4.398 1.00 10.00 O ATOM 0 H TYR B 12 15.724 -6.616 2.155 1.00 10.00 H new ATOM 0 HA TYR B 12 15.894 -3.953 1.231 1.00 10.00 H new ATOM 0 HB2 TYR B 12 15.501 -5.305 3.646 1.00 10.00 H new ATOM 0 HB3 TYR B 12 17.051 -4.521 3.877 1.00 10.00 H new ATOM 0 HD1 TYR B 12 16.999 -1.945 2.845 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.675 -4.098 4.418 1.00 10.00 H new ATOM 0 HE1 TYR B 12 15.852 0.175 3.320 1.00 10.00 H new ATOM 0 HE2 TYR B 12 12.526 -1.976 4.892 1.00 10.00 H new ATOM 0 HH TYR B 12 13.353 0.502 5.365 1.00 10.00 H new