USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-0.78) USER MOD Single : A 9 GLN : amide:sc= -0.0592 K(o=-0.059,f=-0.72) USER MOD Single : A 14 HIS : no HD1:sc= -0.926 K(o=-0.93,f=-2.7!) USER MOD Single : A 18 ASN : amide:sc= -0.0668 X(o=-0.067,f=-0.067) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= -0.118 (180deg=-1.33) USER MOD Single : A 32 HIS : no HE2:sc= -4.01 K(o=-4,f=-9.8!) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ -148:sc= -0.346 (180deg=-1.52!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.269) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 149:sc= -6.8! USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -152:sc= -4.59! USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.841 -14.412 -9.247 1.00 0.00 N ATOM 2 CA MET A 1 -6.971 -12.937 -9.365 1.00 0.00 C ATOM 3 C MET A 1 -8.220 -12.552 -10.152 1.00 0.00 C ATOM 4 O MET A 1 -8.302 -12.787 -11.358 1.00 0.00 O ATOM 5 CB MET A 1 -5.722 -12.391 -10.061 1.00 0.00 C ATOM 6 CG MET A 1 -4.518 -12.271 -9.141 1.00 0.00 C ATOM 7 SD MET A 1 -3.125 -11.433 -9.924 1.00 0.00 S ATOM 8 CE MET A 1 -2.021 -12.813 -10.213 1.00 0.00 C ATOM 0 H1 MET A 1 -5.983 -14.643 -8.707 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.673 -14.796 -8.755 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.776 -14.832 -10.196 1.00 0.00 H new ATOM 0 HA MET A 1 -7.066 -12.507 -8.368 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.467 -13.043 -10.896 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.949 -11.410 -10.480 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.806 -11.726 -8.242 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.207 -13.267 -8.825 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.110 -12.456 -10.694 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.769 -13.283 -9.262 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.511 -13.542 -10.859 1.00 0.00 H new ATOM 20 N LYS A 2 -9.191 -11.963 -9.462 1.00 0.00 N ATOM 21 CA LYS A 2 -10.435 -11.546 -10.096 1.00 0.00 C ATOM 22 C LYS A 2 -10.301 -10.151 -10.696 1.00 0.00 C ATOM 23 O LYS A 2 -9.868 -9.215 -10.026 1.00 0.00 O ATOM 24 CB LYS A 2 -11.579 -11.567 -9.081 1.00 0.00 C ATOM 25 CG LYS A 2 -12.348 -12.878 -9.057 1.00 0.00 C ATOM 26 CD LYS A 2 -13.322 -12.973 -10.220 1.00 0.00 C ATOM 27 CE LYS A 2 -14.567 -13.758 -9.841 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.810 -13.107 -10.338 1.00 0.00 N ATOM 0 H LYS A 2 -9.140 -11.764 -8.463 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.656 -12.248 -10.900 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.175 -11.374 -8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.269 -10.755 -9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.648 -13.713 -9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.893 -12.965 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.606 -11.971 -10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.832 -13.452 -11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.498 -14.766 -10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.618 -13.856 -8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.635 -13.675 -10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.890 -12.154 -9.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.774 -13.037 -11.375 1.00 0.00 H new ATOM 42 N ARG A 3 -10.676 -10.020 -11.964 1.00 0.00 N ATOM 43 CA ARG A 3 -10.599 -8.739 -12.657 1.00 0.00 C ATOM 44 C ARG A 3 -11.803 -7.865 -12.322 1.00 0.00 C ATOM 45 O ARG A 3 -12.723 -8.300 -11.629 1.00 0.00 O ATOM 46 CB ARG A 3 -10.521 -8.960 -14.169 1.00 0.00 C ATOM 47 CG ARG A 3 -9.191 -8.548 -14.780 1.00 0.00 C ATOM 48 CD ARG A 3 -9.384 -7.829 -16.107 1.00 0.00 C ATOM 49 NE ARG A 3 -10.487 -8.392 -16.882 1.00 0.00 N ATOM 50 CZ ARG A 3 -10.450 -9.592 -17.452 1.00 0.00 C ATOM 51 NH1 ARG A 3 -9.367 -10.349 -17.336 1.00 0.00 N ATOM 52 NH2 ARG A 3 -11.494 -10.034 -18.139 1.00 0.00 N ATOM 0 H ARG A 3 -11.037 -10.786 -12.533 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.697 -8.226 -12.323 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -10.698 -10.014 -14.383 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.321 -8.399 -14.651 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.657 -7.897 -14.087 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.570 -9.431 -14.931 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.574 -6.772 -15.922 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.464 -7.890 -16.689 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.333 -7.833 -16.992 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.562 -10.010 -16.809 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.339 -11.270 -17.774 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.327 -9.453 -18.231 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.464 -10.955 -18.576 1.00 0.00 H new ATOM 66 N GLU A 4 -11.792 -6.633 -12.819 1.00 0.00 N ATOM 67 CA GLU A 4 -12.888 -5.702 -12.575 1.00 0.00 C ATOM 68 C GLU A 4 -13.379 -5.084 -13.879 1.00 0.00 C ATOM 69 O GLU A 4 -13.082 -5.581 -14.965 1.00 0.00 O ATOM 70 CB GLU A 4 -12.445 -4.597 -11.611 1.00 0.00 C ATOM 71 CG GLU A 4 -11.510 -3.575 -12.238 1.00 0.00 C ATOM 72 CD GLU A 4 -11.213 -2.412 -11.312 1.00 0.00 C ATOM 73 OE1 GLU A 4 -10.699 -2.654 -10.201 1.00 0.00 O ATOM 74 OE2 GLU A 4 -11.495 -1.258 -11.700 1.00 0.00 O ATOM 0 H GLU A 4 -11.037 -6.256 -13.393 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.709 -6.260 -12.125 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.328 -4.083 -11.231 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.948 -5.053 -10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.575 -4.064 -12.513 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.955 -3.197 -13.159 1.00 0.00 H new ATOM 81 N ILE A 5 -14.121 -3.987 -13.763 1.00 0.00 N ATOM 82 CA ILE A 5 -14.648 -3.295 -14.931 1.00 0.00 C ATOM 83 C ILE A 5 -14.669 -1.786 -14.714 1.00 0.00 C ATOM 84 O ILE A 5 -15.735 -1.168 -14.687 1.00 0.00 O ATOM 85 CB ILE A 5 -16.071 -3.769 -15.274 1.00 0.00 C ATOM 86 CG1 ILE A 5 -16.155 -5.296 -15.223 1.00 0.00 C ATOM 87 CG2 ILE A 5 -16.476 -3.256 -16.646 1.00 0.00 C ATOM 88 CD1 ILE A 5 -16.535 -5.835 -13.861 1.00 0.00 C ATOM 0 H ILE A 5 -14.370 -3.559 -12.871 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.984 -3.533 -15.762 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.762 -3.366 -14.534 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -16.886 -5.636 -15.956 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -15.192 -5.715 -15.515 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -17.485 -3.597 -16.879 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -16.452 -2.166 -16.649 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -15.782 -3.636 -17.396 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -16.576 -6.924 -13.899 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -15.792 -5.525 -13.127 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -17.512 -5.445 -13.575 1.00 0.00 H new ATOM 100 N LEU A 6 -13.488 -1.195 -14.568 1.00 0.00 N ATOM 101 CA LEU A 6 -13.373 0.244 -14.363 1.00 0.00 C ATOM 102 C LEU A 6 -13.981 0.659 -13.028 1.00 0.00 C ATOM 103 O LEU A 6 -14.444 1.788 -12.871 1.00 0.00 O ATOM 104 CB LEU A 6 -14.069 0.997 -15.500 1.00 0.00 C ATOM 105 CG LEU A 6 -13.909 0.369 -16.886 1.00 0.00 C ATOM 106 CD1 LEU A 6 -15.267 0.194 -17.550 1.00 0.00 C ATOM 107 CD2 LEU A 6 -12.995 1.219 -17.754 1.00 0.00 C ATOM 0 H LEU A 6 -12.597 -1.691 -14.588 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.313 0.497 -14.354 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -15.132 1.068 -15.271 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -13.681 2.015 -15.532 1.00 0.00 H new ATOM 0 HG LEU A 6 -13.454 -0.614 -16.769 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -15.135 -0.254 -18.535 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -15.891 -0.456 -16.936 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -15.749 1.166 -17.655 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.893 0.757 -18.736 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -13.422 2.216 -17.865 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.014 1.294 -17.285 1.00 0.00 H new ATOM 119 N LYS A 7 -13.977 -0.259 -12.069 1.00 0.00 N ATOM 120 CA LYS A 7 -14.532 0.017 -10.749 1.00 0.00 C ATOM 121 C LYS A 7 -13.533 0.781 -9.885 1.00 0.00 C ATOM 122 O LYS A 7 -12.365 0.406 -9.790 1.00 0.00 O ATOM 123 CB LYS A 7 -14.934 -1.285 -10.058 1.00 0.00 C ATOM 124 CG LYS A 7 -15.920 -2.118 -10.860 1.00 0.00 C ATOM 125 CD LYS A 7 -17.216 -1.362 -11.103 1.00 0.00 C ATOM 126 CE LYS A 7 -17.932 -1.047 -9.798 1.00 0.00 C ATOM 127 NZ LYS A 7 -19.321 -0.563 -10.030 1.00 0.00 N ATOM 0 H LYS A 7 -13.597 -1.199 -12.180 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.418 0.638 -10.879 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.039 -1.878 -9.869 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.373 -1.052 -9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -15.473 -2.394 -11.815 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.132 -3.045 -10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.003 -0.435 -11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -17.869 -1.954 -11.744 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -17.958 -1.940 -9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -17.371 -0.291 -9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -19.775 -0.359 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -19.295 0.303 -10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -19.864 -1.295 -10.531 1.00 0.00 H new ATOM 141 N HIS A 8 -14.003 1.856 -9.262 1.00 0.00 N ATOM 142 CA HIS A 8 -13.155 2.679 -8.408 1.00 0.00 C ATOM 143 C HIS A 8 -13.994 3.454 -7.398 1.00 0.00 C ATOM 144 O HIS A 8 -13.746 4.633 -7.145 1.00 0.00 O ATOM 145 CB HIS A 8 -12.333 3.649 -9.259 1.00 0.00 C ATOM 146 CG HIS A 8 -11.157 4.231 -8.539 1.00 0.00 C ATOM 147 ND1 HIS A 8 -10.926 5.588 -8.449 1.00 0.00 N ATOM 148 CD2 HIS A 8 -10.140 3.634 -7.874 1.00 0.00 C ATOM 149 CE1 HIS A 8 -9.820 5.800 -7.760 1.00 0.00 C ATOM 150 NE2 HIS A 8 -9.324 4.632 -7.400 1.00 0.00 N ATOM 0 H HIS A 8 -14.968 2.178 -9.333 1.00 0.00 H new ATOM 0 HA HIS A 8 -12.478 2.021 -7.862 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -11.982 3.129 -10.150 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.979 4.459 -9.597 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -9.997 2.572 -7.741 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.394 6.765 -7.530 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -8.472 4.492 -6.857 1.00 0.00 H new ATOM 159 N GLN A 9 -14.991 2.785 -6.828 1.00 0.00 N ATOM 160 CA GLN A 9 -15.873 3.413 -5.851 1.00 0.00 C ATOM 161 C GLN A 9 -15.383 3.157 -4.428 1.00 0.00 C ATOM 162 O GLN A 9 -15.350 4.067 -3.601 1.00 0.00 O ATOM 163 CB GLN A 9 -17.300 2.885 -6.012 1.00 0.00 C ATOM 164 CG GLN A 9 -18.353 3.775 -5.370 1.00 0.00 C ATOM 165 CD GLN A 9 -19.652 3.039 -5.101 1.00 0.00 C ATOM 166 OE1 GLN A 9 -19.648 1.892 -4.655 1.00 0.00 O ATOM 167 NE2 GLN A 9 -20.773 3.698 -5.371 1.00 0.00 N ATOM 0 H GLN A 9 -15.208 1.808 -7.026 1.00 0.00 H new ATOM 0 HA GLN A 9 -15.865 4.488 -6.030 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -17.523 2.781 -7.074 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -17.362 1.889 -5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.964 4.174 -4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.550 4.627 -6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -20.730 4.648 -5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -21.677 3.254 -5.210 1.00 0.00 H new ATOM 176 N LEU A 10 -15.005 1.913 -4.152 1.00 0.00 N ATOM 177 CA LEU A 10 -14.521 1.538 -2.828 1.00 0.00 C ATOM 178 C LEU A 10 -13.011 1.321 -2.840 1.00 0.00 C ATOM 179 O LEU A 10 -12.242 2.215 -2.487 1.00 0.00 O ATOM 180 CB LEU A 10 -15.228 0.271 -2.344 1.00 0.00 C ATOM 181 CG LEU A 10 -16.273 0.492 -1.248 1.00 0.00 C ATOM 182 CD1 LEU A 10 -17.445 1.302 -1.784 1.00 0.00 C ATOM 183 CD2 LEU A 10 -16.752 -0.839 -0.691 1.00 0.00 C ATOM 0 H LEU A 10 -15.024 1.148 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.745 2.355 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.713 -0.205 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.477 -0.427 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.809 1.055 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -18.178 1.449 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.088 2.271 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -17.909 0.766 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -17.495 -0.662 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -17.199 -1.429 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.907 -1.382 -0.269 1.00 0.00 H new ATOM 195 N VAL A 11 -12.592 0.127 -3.247 1.00 0.00 N ATOM 196 CA VAL A 11 -11.174 -0.209 -3.301 1.00 0.00 C ATOM 197 C VAL A 11 -10.399 0.787 -4.159 1.00 0.00 C ATOM 198 O VAL A 11 -10.920 1.311 -5.144 1.00 0.00 O ATOM 199 CB VAL A 11 -10.947 -1.628 -3.851 1.00 0.00 C ATOM 200 CG1 VAL A 11 -11.680 -2.654 -3.003 1.00 0.00 C ATOM 201 CG2 VAL A 11 -11.382 -1.714 -5.306 1.00 0.00 C ATOM 0 H VAL A 11 -13.215 -0.624 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.806 -0.164 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.881 -1.850 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.507 -3.651 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.311 -2.610 -1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.748 -2.438 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.214 -2.725 -5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.442 -1.471 -5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.803 -1.008 -5.901 1.00 0.00 H new ATOM 211 N PRO A 12 -9.136 1.057 -3.794 1.00 0.00 N ATOM 212 CA PRO A 12 -8.280 1.991 -4.525 1.00 0.00 C ATOM 213 C PRO A 12 -7.640 1.354 -5.754 1.00 0.00 C ATOM 214 O PRO A 12 -8.042 0.274 -6.185 1.00 0.00 O ATOM 215 CB PRO A 12 -7.215 2.349 -3.492 1.00 0.00 C ATOM 216 CG PRO A 12 -7.081 1.121 -2.656 1.00 0.00 C ATOM 217 CD PRO A 12 -8.442 0.473 -2.629 1.00 0.00 C ATOM 0 HA PRO A 12 -8.834 2.847 -4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.270 2.610 -3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.516 3.207 -2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.337 0.444 -3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.750 1.372 -1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.370 -0.612 -2.709 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.969 0.689 -1.700 1.00 0.00 H new ATOM 225 N GLU A 13 -6.638 2.027 -6.309 1.00 0.00 N ATOM 226 CA GLU A 13 -5.938 1.523 -7.484 1.00 0.00 C ATOM 227 C GLU A 13 -4.591 0.922 -7.097 1.00 0.00 C ATOM 228 O GLU A 13 -3.813 1.538 -6.367 1.00 0.00 O ATOM 229 CB GLU A 13 -5.737 2.645 -8.503 1.00 0.00 C ATOM 230 CG GLU A 13 -6.999 2.999 -9.274 1.00 0.00 C ATOM 231 CD GLU A 13 -7.118 2.239 -10.580 1.00 0.00 C ATOM 232 OE1 GLU A 13 -6.202 2.356 -11.420 1.00 0.00 O ATOM 233 OE2 GLU A 13 -8.129 1.527 -10.763 1.00 0.00 O ATOM 0 H GLU A 13 -6.293 2.923 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.549 0.740 -7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.376 3.534 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.961 2.349 -9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.870 2.787 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.007 4.070 -9.479 1.00 0.00 H new ATOM 240 N HIS A 14 -4.325 -0.286 -7.583 1.00 0.00 N ATOM 241 CA HIS A 14 -3.072 -0.974 -7.280 1.00 0.00 C ATOM 242 C HIS A 14 -2.140 -0.974 -8.487 1.00 0.00 C ATOM 243 O HIS A 14 -2.495 -1.463 -9.560 1.00 0.00 O ATOM 244 CB HIS A 14 -3.331 -2.419 -6.829 1.00 0.00 C ATOM 245 CG HIS A 14 -4.629 -2.992 -7.311 1.00 0.00 C ATOM 246 ND1 HIS A 14 -5.858 -2.474 -6.955 1.00 0.00 N ATOM 247 CD2 HIS A 14 -4.888 -4.045 -8.123 1.00 0.00 C ATOM 248 CE1 HIS A 14 -6.815 -3.182 -7.528 1.00 0.00 C ATOM 249 NE2 HIS A 14 -6.253 -4.140 -8.242 1.00 0.00 N ATOM 0 H HIS A 14 -4.958 -0.809 -8.188 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.593 -0.431 -6.465 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.515 -3.049 -7.183 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.313 -2.456 -5.740 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.158 -4.689 -8.590 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.876 -3.007 -7.429 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.752 -4.838 -8.793 1.00 0.00 H new ATOM 258 N VAL A 15 -0.942 -0.433 -8.298 1.00 0.00 N ATOM 259 CA VAL A 15 0.053 -0.383 -9.362 1.00 0.00 C ATOM 260 C VAL A 15 1.382 -0.959 -8.881 1.00 0.00 C ATOM 261 O VAL A 15 1.721 -0.852 -7.702 1.00 0.00 O ATOM 262 CB VAL A 15 0.282 1.057 -9.864 1.00 0.00 C ATOM 263 CG1 VAL A 15 0.948 1.041 -11.232 1.00 0.00 C ATOM 264 CG2 VAL A 15 -1.029 1.832 -9.912 1.00 0.00 C ATOM 0 H VAL A 15 -0.636 -0.022 -7.416 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.333 -0.982 -10.187 1.00 0.00 H new ATOM 0 HB VAL A 15 0.945 1.563 -9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.103 2.065 -11.573 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.909 0.532 -11.163 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.309 0.515 -11.942 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.840 2.844 -10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.723 1.332 -10.588 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.463 1.875 -8.913 1.00 0.00 H new ATOM 274 N ILE A 16 2.126 -1.579 -9.791 1.00 0.00 N ATOM 275 CA ILE A 16 3.416 -2.168 -9.443 1.00 0.00 C ATOM 276 C ILE A 16 4.566 -1.257 -9.866 1.00 0.00 C ATOM 277 O ILE A 16 4.739 -0.956 -11.047 1.00 0.00 O ATOM 278 CB ILE A 16 3.600 -3.567 -10.075 1.00 0.00 C ATOM 279 CG1 ILE A 16 2.550 -4.535 -9.521 1.00 0.00 C ATOM 280 CG2 ILE A 16 5.008 -4.101 -9.813 1.00 0.00 C ATOM 281 CD1 ILE A 16 2.797 -5.980 -9.895 1.00 0.00 C ATOM 0 H ILE A 16 1.861 -1.687 -10.770 1.00 0.00 H new ATOM 0 HA ILE A 16 3.429 -2.280 -8.359 1.00 0.00 H new ATOM 0 HB ILE A 16 3.466 -3.479 -11.153 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.527 -4.449 -8.435 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.567 -4.238 -9.885 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.114 -5.086 -10.267 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.741 -3.421 -10.246 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.174 -4.177 -8.738 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.013 -6.606 -9.467 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.790 -6.081 -10.980 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.765 -6.296 -9.507 1.00 0.00 H new ATOM 293 N LEU A 17 5.365 -0.857 -8.887 1.00 0.00 N ATOM 294 CA LEU A 17 6.500 0.019 -9.121 1.00 0.00 C ATOM 295 C LEU A 17 7.817 -0.727 -9.010 1.00 0.00 C ATOM 296 O LEU A 17 7.943 -1.675 -8.234 1.00 0.00 O ATOM 297 CB LEU A 17 6.492 1.145 -8.104 1.00 0.00 C ATOM 298 CG LEU A 17 5.605 2.323 -8.474 1.00 0.00 C ATOM 299 CD1 LEU A 17 4.599 2.596 -7.374 1.00 0.00 C ATOM 300 CD2 LEU A 17 6.454 3.551 -8.748 1.00 0.00 C ATOM 0 H LEU A 17 5.244 -1.130 -7.912 1.00 0.00 H new ATOM 0 HA LEU A 17 6.409 0.413 -10.133 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.164 0.748 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.513 1.503 -7.969 1.00 0.00 H new ATOM 0 HG LEU A 17 5.054 2.076 -9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.973 3.442 -7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.974 1.715 -7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.126 2.827 -6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.808 4.388 -9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.028 3.803 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.136 3.345 -9.573 1.00 0.00 H new ATOM 312 N ASN A 18 8.809 -0.265 -9.755 1.00 0.00 N ATOM 313 CA ASN A 18 10.141 -0.834 -9.672 1.00 0.00 C ATOM 314 C ASN A 18 10.846 -0.272 -8.446 1.00 0.00 C ATOM 315 O ASN A 18 10.652 0.891 -8.093 1.00 0.00 O ATOM 316 CB ASN A 18 10.944 -0.516 -10.936 1.00 0.00 C ATOM 317 CG ASN A 18 10.095 -0.564 -12.192 1.00 0.00 C ATOM 318 OD1 ASN A 18 9.442 -1.567 -12.476 1.00 0.00 O ATOM 319 ND2 ASN A 18 10.099 0.527 -12.950 1.00 0.00 N ATOM 0 H ASN A 18 8.715 0.501 -10.422 1.00 0.00 H new ATOM 0 HA ASN A 18 10.063 -1.918 -9.586 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.389 0.474 -10.840 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.765 -1.227 -11.029 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.545 0.555 -13.806 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.656 1.336 -12.676 1.00 0.00 H new ATOM 326 N GLU A 19 11.653 -1.095 -7.785 1.00 0.00 N ATOM 327 CA GLU A 19 12.355 -0.660 -6.580 1.00 0.00 C ATOM 328 C GLU A 19 12.988 0.713 -6.778 1.00 0.00 C ATOM 329 O GLU A 19 13.007 1.531 -5.861 1.00 0.00 O ATOM 330 CB GLU A 19 13.422 -1.676 -6.185 1.00 0.00 C ATOM 331 CG GLU A 19 13.504 -1.903 -4.693 1.00 0.00 C ATOM 332 CD GLU A 19 13.087 -3.304 -4.289 1.00 0.00 C ATOM 333 OE1 GLU A 19 13.457 -4.261 -5.001 1.00 0.00 O ATOM 334 OE2 GLU A 19 12.391 -3.443 -3.261 1.00 0.00 O ATOM 0 H GLU A 19 11.837 -2.060 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 19 11.622 -0.587 -5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.212 -2.625 -6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.392 -1.335 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.525 -1.722 -4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.868 -1.178 -4.184 1.00 0.00 H new ATOM 341 N SER A 20 13.459 0.974 -7.993 1.00 0.00 N ATOM 342 CA SER A 20 14.054 2.265 -8.318 1.00 0.00 C ATOM 343 C SER A 20 12.976 3.337 -8.431 1.00 0.00 C ATOM 344 O SER A 20 13.067 4.395 -7.805 1.00 0.00 O ATOM 345 CB SER A 20 14.840 2.172 -9.628 1.00 0.00 C ATOM 346 OG SER A 20 15.541 3.375 -9.889 1.00 0.00 O ATOM 0 H SER A 20 13.440 0.310 -8.767 1.00 0.00 H new ATOM 0 HA SER A 20 14.737 2.541 -7.515 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.544 1.342 -9.575 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.157 1.959 -10.451 1.00 0.00 H new ATOM 0 HG SER A 20 16.036 3.289 -10.730 1.00 0.00 H new ATOM 352 N GLU A 21 11.945 3.050 -9.223 1.00 0.00 N ATOM 353 CA GLU A 21 10.835 3.977 -9.398 1.00 0.00 C ATOM 354 C GLU A 21 10.171 4.268 -8.066 1.00 0.00 C ATOM 355 O GLU A 21 9.974 5.423 -7.692 1.00 0.00 O ATOM 356 CB GLU A 21 9.803 3.381 -10.359 1.00 0.00 C ATOM 357 CG GLU A 21 9.363 4.335 -11.457 1.00 0.00 C ATOM 358 CD GLU A 21 8.036 3.939 -12.076 1.00 0.00 C ATOM 359 OE1 GLU A 21 8.031 3.049 -12.953 1.00 0.00 O ATOM 360 OE2 GLU A 21 7.002 4.521 -11.686 1.00 0.00 O ATOM 0 H GLU A 21 11.857 2.183 -9.752 1.00 0.00 H new ATOM 0 HA GLU A 21 11.225 4.907 -9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.222 2.484 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.928 3.069 -9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.283 5.342 -11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.127 4.367 -12.234 1.00 0.00 H new ATOM 367 N ALA A 22 9.833 3.205 -7.352 1.00 0.00 N ATOM 368 CA ALA A 22 9.196 3.329 -6.055 1.00 0.00 C ATOM 369 C ALA A 22 10.152 3.942 -5.041 1.00 0.00 C ATOM 370 O ALA A 22 9.726 4.564 -4.068 1.00 0.00 O ATOM 371 CB ALA A 22 8.704 1.972 -5.583 1.00 0.00 C ATOM 0 H ALA A 22 9.991 2.243 -7.653 1.00 0.00 H new ATOM 0 HA ALA A 22 8.338 3.994 -6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.227 2.077 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.983 1.577 -6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.548 1.287 -5.503 1.00 0.00 H new ATOM 377 N LYS A 23 11.446 3.750 -5.270 1.00 0.00 N ATOM 378 CA LYS A 23 12.460 4.283 -4.372 1.00 0.00 C ATOM 379 C LYS A 23 12.363 5.798 -4.277 1.00 0.00 C ATOM 380 O LYS A 23 12.315 6.350 -3.178 1.00 0.00 O ATOM 381 CB LYS A 23 13.861 3.871 -4.823 1.00 0.00 C ATOM 382 CG LYS A 23 14.456 2.758 -3.977 1.00 0.00 C ATOM 383 CD LYS A 23 15.428 1.900 -4.770 1.00 0.00 C ATOM 384 CE LYS A 23 16.675 1.586 -3.960 1.00 0.00 C ATOM 385 NZ LYS A 23 17.910 1.649 -4.790 1.00 0.00 N ATOM 0 H LYS A 23 11.815 3.231 -6.067 1.00 0.00 H new ATOM 0 HA LYS A 23 12.278 3.863 -3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.821 3.547 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.519 4.739 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.970 3.190 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.654 2.131 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.940 0.971 -5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.708 2.418 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.757 2.292 -3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.582 0.592 -3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.737 1.428 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.844 0.958 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.013 2.605 -5.187 1.00 0.00 H new ATOM 399 N ARG A 24 12.329 6.477 -5.422 1.00 0.00 N ATOM 400 CA ARG A 24 12.215 7.929 -5.407 1.00 0.00 C ATOM 401 C ARG A 24 10.855 8.344 -4.879 1.00 0.00 C ATOM 402 O ARG A 24 10.747 9.294 -4.116 1.00 0.00 O ATOM 403 CB ARG A 24 12.431 8.543 -6.789 1.00 0.00 C ATOM 404 CG ARG A 24 11.914 7.709 -7.933 1.00 0.00 C ATOM 405 CD ARG A 24 11.902 8.518 -9.219 1.00 0.00 C ATOM 406 NE ARG A 24 11.198 7.840 -10.304 1.00 0.00 N ATOM 407 CZ ARG A 24 11.774 6.976 -11.137 1.00 0.00 C ATOM 408 NH1 ARG A 24 13.055 6.663 -11.003 1.00 0.00 N ATOM 409 NH2 ARG A 24 11.062 6.419 -12.107 1.00 0.00 N ATOM 0 H ARG A 24 12.378 6.056 -6.350 1.00 0.00 H new ATOM 0 HA ARG A 24 13.000 8.302 -4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.945 9.518 -6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.498 8.714 -6.934 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.540 6.825 -8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.907 7.357 -7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.430 9.483 -9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.928 8.719 -9.527 1.00 0.00 H new ATOM 0 HE ARG A 24 10.206 8.040 -10.431 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.608 7.085 -10.257 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.488 6.000 -11.646 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.075 6.653 -12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.501 5.757 -12.746 1.00 0.00 H new ATOM 423 N VAL A 25 9.819 7.626 -5.291 1.00 0.00 N ATOM 424 CA VAL A 25 8.465 7.927 -4.849 1.00 0.00 C ATOM 425 C VAL A 25 8.379 7.892 -3.330 1.00 0.00 C ATOM 426 O VAL A 25 7.957 8.859 -2.697 1.00 0.00 O ATOM 427 CB VAL A 25 7.443 6.927 -5.420 1.00 0.00 C ATOM 428 CG1 VAL A 25 6.025 7.410 -5.161 1.00 0.00 C ATOM 429 CG2 VAL A 25 7.671 6.698 -6.905 1.00 0.00 C ATOM 0 H VAL A 25 9.890 6.833 -5.929 1.00 0.00 H new ATOM 0 HA VAL A 25 8.227 8.925 -5.216 1.00 0.00 H new ATOM 0 HB VAL A 25 7.582 5.973 -4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.315 6.691 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.864 7.507 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.878 8.379 -5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.935 5.988 -7.281 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.569 7.643 -7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.673 6.299 -7.062 1.00 0.00 H new ATOM 439 N LEU A 26 8.800 6.774 -2.747 1.00 0.00 N ATOM 440 CA LEU A 26 8.786 6.620 -1.302 1.00 0.00 C ATOM 441 C LEU A 26 9.486 7.798 -0.637 1.00 0.00 C ATOM 442 O LEU A 26 8.906 8.481 0.207 1.00 0.00 O ATOM 443 CB LEU A 26 9.459 5.307 -0.904 1.00 0.00 C ATOM 444 CG LEU A 26 8.577 4.358 -0.093 1.00 0.00 C ATOM 445 CD1 LEU A 26 9.023 2.918 -0.279 1.00 0.00 C ATOM 446 CD2 LEU A 26 8.608 4.734 1.375 1.00 0.00 C ATOM 0 H LEU A 26 9.154 5.964 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 26 7.750 6.597 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.786 4.794 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.354 5.534 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 26 7.553 4.449 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.382 2.260 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.953 2.649 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.055 2.811 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.975 4.049 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.631 4.671 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.240 5.753 1.498 1.00 0.00 H new ATOM 458 N LYS A 27 10.724 8.054 -1.050 1.00 0.00 N ATOM 459 CA LYS A 27 11.482 9.176 -0.514 1.00 0.00 C ATOM 460 C LYS A 27 10.787 10.488 -0.864 1.00 0.00 C ATOM 461 O LYS A 27 10.812 11.449 -0.094 1.00 0.00 O ATOM 462 CB LYS A 27 12.909 9.181 -1.068 1.00 0.00 C ATOM 463 CG LYS A 27 13.624 7.847 -0.937 1.00 0.00 C ATOM 464 CD LYS A 27 14.117 7.610 0.481 1.00 0.00 C ATOM 465 CE LYS A 27 13.804 6.202 0.941 1.00 0.00 C ATOM 466 NZ LYS A 27 14.193 5.183 -0.073 1.00 0.00 N ATOM 0 H LYS A 27 11.220 7.502 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 27 11.532 9.071 0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.879 9.464 -2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.487 9.945 -0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.948 7.042 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.468 7.818 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.193 7.780 0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.651 8.328 1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.328 6.001 1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.737 6.117 1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.482 4.307 0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.383 4.986 -0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.986 5.544 -0.641 1.00 0.00 H new ATOM 480 N GLU A 28 10.162 10.508 -2.038 1.00 0.00 N ATOM 481 CA GLU A 28 9.438 11.677 -2.519 1.00 0.00 C ATOM 482 C GLU A 28 8.233 11.956 -1.631 1.00 0.00 C ATOM 483 O GLU A 28 7.930 13.105 -1.307 1.00 0.00 O ATOM 484 CB GLU A 28 8.971 11.440 -3.959 1.00 0.00 C ATOM 485 CG GLU A 28 10.036 11.702 -5.007 1.00 0.00 C ATOM 486 CD GLU A 28 9.657 12.820 -5.959 1.00 0.00 C ATOM 487 OE1 GLU A 28 8.984 12.535 -6.972 1.00 0.00 O ATOM 488 OE2 GLU A 28 10.033 13.981 -5.692 1.00 0.00 O ATOM 0 H GLU A 28 10.144 9.716 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 28 10.105 12.539 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.629 10.409 -4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.112 12.080 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.973 11.954 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.212 10.789 -5.576 1.00 0.00 H new ATOM 495 N LEU A 29 7.558 10.884 -1.237 1.00 0.00 N ATOM 496 CA LEU A 29 6.382 10.972 -0.382 1.00 0.00 C ATOM 497 C LEU A 29 6.737 11.420 1.036 1.00 0.00 C ATOM 498 O LEU A 29 5.848 11.675 1.848 1.00 0.00 O ATOM 499 CB LEU A 29 5.697 9.614 -0.331 1.00 0.00 C ATOM 500 CG LEU A 29 4.666 9.382 -1.433 1.00 0.00 C ATOM 501 CD1 LEU A 29 5.338 9.372 -2.796 1.00 0.00 C ATOM 502 CD2 LEU A 29 3.921 8.084 -1.191 1.00 0.00 C ATOM 0 H LEU A 29 7.810 9.931 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 29 5.713 11.721 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.457 8.835 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.207 9.505 0.636 1.00 0.00 H new ATOM 0 HG LEU A 29 3.946 10.200 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.589 9.205 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.829 10.330 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.079 8.573 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.189 7.931 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.628 7.254 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.409 8.132 -0.230 1.00 0.00 H new ATOM 514 N ASP A 30 8.038 11.509 1.330 1.00 0.00 N ATOM 515 CA ASP A 30 8.523 11.905 2.656 1.00 0.00 C ATOM 516 C ASP A 30 8.582 10.699 3.586 1.00 0.00 C ATOM 517 O ASP A 30 8.364 10.817 4.793 1.00 0.00 O ATOM 518 CB ASP A 30 7.650 13.006 3.267 1.00 0.00 C ATOM 519 CG ASP A 30 8.346 13.738 4.396 1.00 0.00 C ATOM 520 OD1 ASP A 30 9.560 13.515 4.590 1.00 0.00 O ATOM 521 OD2 ASP A 30 7.678 14.535 5.089 1.00 0.00 O ATOM 0 H ASP A 30 8.781 11.310 0.660 1.00 0.00 H new ATOM 0 HA ASP A 30 9.529 12.305 2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.375 13.720 2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.724 12.567 3.639 1.00 0.00 H new ATOM 526 N ALA A 31 8.891 9.543 3.011 1.00 0.00 N ATOM 527 CA ALA A 31 9.008 8.306 3.773 1.00 0.00 C ATOM 528 C ALA A 31 9.955 7.340 3.077 1.00 0.00 C ATOM 529 O ALA A 31 10.327 7.544 1.922 1.00 0.00 O ATOM 530 CB ALA A 31 7.645 7.656 3.959 1.00 0.00 C ATOM 0 H ALA A 31 9.066 9.437 2.012 1.00 0.00 H new ATOM 0 HA ALA A 31 9.413 8.550 4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.756 6.734 4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.987 8.339 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.214 7.429 2.984 1.00 0.00 H new ATOM 536 N HIS A 32 10.341 6.286 3.779 1.00 0.00 N ATOM 537 CA HIS A 32 11.226 5.283 3.213 1.00 0.00 C ATOM 538 C HIS A 32 10.660 3.886 3.433 1.00 0.00 C ATOM 539 O HIS A 32 9.859 3.667 4.341 1.00 0.00 O ATOM 540 CB HIS A 32 12.625 5.401 3.810 1.00 0.00 C ATOM 541 CG HIS A 32 13.052 6.811 4.083 1.00 0.00 C ATOM 542 ND1 HIS A 32 12.751 7.866 3.245 1.00 0.00 N ATOM 543 CD2 HIS A 32 13.761 7.339 5.109 1.00 0.00 C ATOM 544 CE1 HIS A 32 13.257 8.980 3.745 1.00 0.00 C ATOM 545 NE2 HIS A 32 13.874 8.687 4.874 1.00 0.00 N ATOM 0 H HIS A 32 10.055 6.104 4.741 1.00 0.00 H new ATOM 0 HA HIS A 32 11.300 5.456 2.139 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.661 4.834 4.740 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.340 4.941 3.128 1.00 0.00 H new ATOM 0 HD1 HIS A 32 12.221 7.797 2.376 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.163 6.800 5.954 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.179 9.963 3.304 1.00 0.00 H new ATOM 554 N PRO A 33 10.993 2.943 2.538 1.00 0.00 N ATOM 555 CA PRO A 33 10.480 1.576 2.602 1.00 0.00 C ATOM 556 C PRO A 33 10.700 0.936 3.966 1.00 0.00 C ATOM 557 O PRO A 33 9.847 0.196 4.457 1.00 0.00 O ATOM 558 CB PRO A 33 11.259 0.839 1.507 1.00 0.00 C ATOM 559 CG PRO A 33 12.411 1.724 1.180 1.00 0.00 C ATOM 560 CD PRO A 33 11.923 3.119 1.419 1.00 0.00 C ATOM 0 HA PRO A 33 9.401 1.539 2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.599 -0.136 1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.635 0.665 0.630 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.272 1.496 1.809 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.727 1.591 0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.739 3.796 1.672 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.427 3.531 0.540 1.00 0.00 H new ATOM 568 N GLU A 34 11.822 1.259 4.597 1.00 0.00 N ATOM 569 CA GLU A 34 12.106 0.750 5.931 1.00 0.00 C ATOM 570 C GLU A 34 10.984 1.157 6.875 1.00 0.00 C ATOM 571 O GLU A 34 10.568 0.386 7.741 1.00 0.00 O ATOM 572 CB GLU A 34 13.441 1.295 6.444 1.00 0.00 C ATOM 573 CG GLU A 34 13.647 2.774 6.158 1.00 0.00 C ATOM 574 CD GLU A 34 13.750 3.604 7.422 1.00 0.00 C ATOM 575 OE1 GLU A 34 14.172 3.053 8.461 1.00 0.00 O ATOM 576 OE2 GLU A 34 13.406 4.803 7.375 1.00 0.00 O ATOM 0 H GLU A 34 12.544 1.866 4.210 1.00 0.00 H new ATOM 0 HA GLU A 34 12.173 -0.337 5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.502 1.130 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.254 0.729 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.555 2.903 5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.818 3.142 5.553 1.00 0.00 H new ATOM 583 N GLN A 35 10.475 2.365 6.665 1.00 0.00 N ATOM 584 CA GLN A 35 9.377 2.892 7.457 1.00 0.00 C ATOM 585 C GLN A 35 8.058 2.280 7.015 1.00 0.00 C ATOM 586 O GLN A 35 7.330 1.687 7.812 1.00 0.00 O ATOM 587 CB GLN A 35 9.322 4.411 7.309 1.00 0.00 C ATOM 588 CG GLN A 35 9.559 5.150 8.610 1.00 0.00 C ATOM 589 CD GLN A 35 9.370 6.648 8.477 1.00 0.00 C ATOM 590 OE1 GLN A 35 8.943 7.142 7.433 1.00 0.00 O ATOM 591 NE2 GLN A 35 9.687 7.381 9.538 1.00 0.00 N ATOM 0 H GLN A 35 10.812 3.002 5.943 1.00 0.00 H new ATOM 0 HA GLN A 35 9.543 2.635 8.503 1.00 0.00 H new ATOM 0 HB2 GLN A 35 10.069 4.725 6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.348 4.695 6.910 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.876 4.768 9.369 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.571 4.946 8.960 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.037 6.930 10.383 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.580 8.395 9.508 1.00 0.00 H new ATOM 600 N LEU A 36 7.770 2.424 5.733 1.00 0.00 N ATOM 601 CA LEU A 36 6.544 1.889 5.152 1.00 0.00 C ATOM 602 C LEU A 36 6.334 0.431 5.555 1.00 0.00 C ATOM 603 O LEU A 36 7.287 -0.274 5.885 1.00 0.00 O ATOM 604 CB LEU A 36 6.588 1.985 3.624 1.00 0.00 C ATOM 605 CG LEU A 36 6.341 3.374 3.036 1.00 0.00 C ATOM 606 CD1 LEU A 36 6.102 3.274 1.537 1.00 0.00 C ATOM 607 CD2 LEU A 36 5.164 4.053 3.710 1.00 0.00 C ATOM 0 H LEU A 36 8.371 2.910 5.068 1.00 0.00 H new ATOM 0 HA LEU A 36 5.714 2.485 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.564 1.636 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.845 1.301 3.215 1.00 0.00 H new ATOM 0 HG LEU A 36 7.229 3.980 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.927 4.270 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.976 2.834 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.231 2.647 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.013 5.039 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.267 3.451 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.366 4.158 4.776 1.00 0.00 H new ATOM 619 N PRO A 37 5.079 -0.045 5.505 1.00 0.00 N ATOM 620 CA PRO A 37 4.746 -1.434 5.837 1.00 0.00 C ATOM 621 C PRO A 37 5.181 -2.400 4.740 1.00 0.00 C ATOM 622 O PRO A 37 5.071 -2.092 3.553 1.00 0.00 O ATOM 623 CB PRO A 37 3.223 -1.408 5.953 1.00 0.00 C ATOM 624 CG PRO A 37 2.799 -0.309 5.043 1.00 0.00 C ATOM 625 CD PRO A 37 3.887 0.729 5.106 1.00 0.00 C ATOM 0 HA PRO A 37 5.249 -1.778 6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.786 -2.361 5.655 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.906 -1.219 6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.668 -0.675 4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.843 0.109 5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.030 1.219 4.143 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.655 1.510 5.830 1.00 0.00 H new ATOM 633 N LYS A 38 5.675 -3.566 5.139 1.00 0.00 N ATOM 634 CA LYS A 38 6.134 -4.565 4.181 1.00 0.00 C ATOM 635 C LYS A 38 5.368 -5.870 4.331 1.00 0.00 C ATOM 636 O LYS A 38 5.296 -6.440 5.420 1.00 0.00 O ATOM 637 CB LYS A 38 7.632 -4.822 4.360 1.00 0.00 C ATOM 638 CG LYS A 38 8.446 -3.558 4.572 1.00 0.00 C ATOM 639 CD LYS A 38 8.717 -2.848 3.257 1.00 0.00 C ATOM 640 CE LYS A 38 10.191 -2.894 2.892 1.00 0.00 C ATOM 641 NZ LYS A 38 11.062 -2.573 4.057 1.00 0.00 N ATOM 0 H LYS A 38 5.768 -3.843 6.116 1.00 0.00 H new ATOM 0 HA LYS A 38 5.950 -4.174 3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.779 -5.485 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.010 -5.344 3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.912 -2.888 5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.391 -3.808 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.130 -3.312 2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.391 -1.810 3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.441 -3.886 2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.388 -2.187 2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.923 -2.094 3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.549 -1.949 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.322 -3.452 4.548 1.00 0.00 H new ATOM 655 N ILE A 39 4.806 -6.346 3.225 1.00 0.00 N ATOM 656 CA ILE A 39 4.072 -7.598 3.228 1.00 0.00 C ATOM 657 C ILE A 39 4.875 -8.690 2.539 1.00 0.00 C ATOM 658 O ILE A 39 5.387 -8.502 1.438 1.00 0.00 O ATOM 659 CB ILE A 39 2.697 -7.459 2.565 1.00 0.00 C ATOM 660 CG1 ILE A 39 2.002 -6.185 3.047 1.00 0.00 C ATOM 661 CG2 ILE A 39 1.844 -8.677 2.872 1.00 0.00 C ATOM 662 CD1 ILE A 39 2.001 -6.032 4.553 1.00 0.00 C ATOM 0 H ILE A 39 4.847 -5.881 2.318 1.00 0.00 H new ATOM 0 HA ILE A 39 3.911 -7.874 4.270 1.00 0.00 H new ATOM 0 HB ILE A 39 2.832 -7.391 1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.495 -5.321 2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.973 -6.184 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.869 -8.568 2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.336 -9.571 2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.713 -8.767 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.492 -5.107 4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.482 -6.878 5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.028 -6.001 4.916 1.00 0.00 H new ATOM 674 N LYS A 40 5.018 -9.816 3.221 1.00 0.00 N ATOM 675 CA LYS A 40 5.807 -10.931 2.716 1.00 0.00 C ATOM 676 C LYS A 40 5.276 -11.445 1.385 1.00 0.00 C ATOM 677 O LYS A 40 4.093 -11.302 1.077 1.00 0.00 O ATOM 678 CB LYS A 40 5.816 -12.062 3.740 1.00 0.00 C ATOM 679 CG LYS A 40 6.294 -11.621 5.112 1.00 0.00 C ATOM 680 CD LYS A 40 7.801 -11.413 5.130 1.00 0.00 C ATOM 681 CE LYS A 40 8.497 -12.458 5.987 1.00 0.00 C ATOM 682 NZ LYS A 40 8.427 -12.126 7.436 1.00 0.00 N ATOM 0 H LYS A 40 4.594 -9.983 4.134 1.00 0.00 H new ATOM 0 HA LYS A 40 6.823 -10.571 2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.810 -12.473 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.458 -12.865 3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.793 -10.695 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.019 -12.371 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.188 -11.459 4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.028 -10.418 5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.038 -13.432 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.541 -12.539 5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.913 -12.863 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.887 -11.209 7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.432 -12.074 7.732 1.00 0.00 H new ATOM 696 N THR A 41 6.158 -12.054 0.599 1.00 0.00 N ATOM 697 CA THR A 41 5.766 -12.617 -0.684 1.00 0.00 C ATOM 698 C THR A 41 4.779 -13.764 -0.480 1.00 0.00 C ATOM 699 O THR A 41 3.979 -14.073 -1.363 1.00 0.00 O ATOM 700 CB THR A 41 6.993 -13.095 -1.461 1.00 0.00 C ATOM 701 OG1 THR A 41 7.781 -13.969 -0.669 1.00 0.00 O ATOM 702 CG2 THR A 41 7.883 -11.963 -1.928 1.00 0.00 C ATOM 0 H THR A 41 7.145 -12.169 0.829 1.00 0.00 H new ATOM 0 HA THR A 41 5.276 -11.838 -1.268 1.00 0.00 H new ATOM 0 HB THR A 41 6.599 -13.609 -2.338 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.560 -14.265 -1.185 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.735 -12.371 -2.472 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.317 -11.301 -2.583 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.239 -11.401 -1.065 1.00 0.00 H new ATOM 710 N THR A 42 4.826 -14.378 0.700 1.00 0.00 N ATOM 711 CA THR A 42 3.895 -15.446 1.040 1.00 0.00 C ATOM 712 C THR A 42 2.509 -14.863 1.292 1.00 0.00 C ATOM 713 O THR A 42 1.492 -15.513 1.051 1.00 0.00 O ATOM 714 CB THR A 42 4.381 -16.205 2.276 1.00 0.00 C ATOM 715 OG1 THR A 42 4.651 -15.310 3.340 1.00 0.00 O ATOM 716 CG2 THR A 42 5.634 -17.016 2.027 1.00 0.00 C ATOM 0 H THR A 42 5.498 -14.154 1.434 1.00 0.00 H new ATOM 0 HA THR A 42 3.841 -16.145 0.205 1.00 0.00 H new ATOM 0 HB THR A 42 3.572 -16.889 2.532 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.959 -15.815 4.122 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.924 -17.529 2.944 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.442 -17.751 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.440 -16.353 1.712 1.00 0.00 H new ATOM 724 N ASP A 43 2.486 -13.609 1.737 1.00 0.00 N ATOM 725 CA ASP A 43 1.240 -12.896 1.988 1.00 0.00 C ATOM 726 C ASP A 43 0.546 -12.554 0.676 1.00 0.00 C ATOM 727 O ASP A 43 1.178 -12.508 -0.380 1.00 0.00 O ATOM 728 CB ASP A 43 1.501 -11.615 2.786 1.00 0.00 C ATOM 729 CG ASP A 43 1.507 -11.858 4.283 1.00 0.00 C ATOM 730 OD1 ASP A 43 2.577 -12.210 4.823 1.00 0.00 O ATOM 731 OD2 ASP A 43 0.442 -11.694 4.915 1.00 0.00 O ATOM 0 H ASP A 43 3.325 -13.063 1.932 1.00 0.00 H new ATOM 0 HA ASP A 43 0.590 -13.548 2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.459 -11.192 2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.737 -10.877 2.543 1.00 0.00 H new ATOM 736 N PRO A 44 -0.786 -12.386 0.715 1.00 0.00 N ATOM 737 CA PRO A 44 -1.584 -12.044 -0.468 1.00 0.00 C ATOM 738 C PRO A 44 -0.982 -10.893 -1.264 1.00 0.00 C ATOM 739 O PRO A 44 -1.247 -10.751 -2.458 1.00 0.00 O ATOM 740 CB PRO A 44 -2.952 -11.649 0.107 1.00 0.00 C ATOM 741 CG PRO A 44 -2.736 -11.488 1.575 1.00 0.00 C ATOM 742 CD PRO A 44 -1.605 -12.410 1.931 1.00 0.00 C ATOM 0 HA PRO A 44 -1.635 -12.876 -1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.313 -10.723 -0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.700 -12.415 -0.098 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.490 -10.455 1.822 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.637 -11.743 2.132 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.051 -12.057 2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.958 -13.415 2.164 1.00 0.00 H new ATOM 750 N VAL A 45 -0.115 -10.117 -0.623 1.00 0.00 N ATOM 751 CA VAL A 45 0.530 -8.997 -1.285 1.00 0.00 C ATOM 752 C VAL A 45 1.160 -9.442 -2.603 1.00 0.00 C ATOM 753 O VAL A 45 1.004 -8.787 -3.633 1.00 0.00 O ATOM 754 CB VAL A 45 1.622 -8.369 -0.388 1.00 0.00 C ATOM 755 CG1 VAL A 45 2.795 -9.326 -0.219 1.00 0.00 C ATOM 756 CG2 VAL A 45 2.087 -7.039 -0.961 1.00 0.00 C ATOM 0 H VAL A 45 0.155 -10.245 0.352 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.238 -8.249 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 45 1.192 -8.183 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.552 -8.865 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.447 -10.250 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.226 -9.549 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.855 -6.613 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.497 -7.196 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.242 -6.353 -1.020 1.00 0.00 H new ATOM 766 N ALA A 46 1.868 -10.567 -2.558 1.00 0.00 N ATOM 767 CA ALA A 46 2.492 -11.124 -3.748 1.00 0.00 C ATOM 768 C ALA A 46 1.433 -11.698 -4.677 1.00 0.00 C ATOM 769 O ALA A 46 1.438 -11.435 -5.880 1.00 0.00 O ATOM 770 CB ALA A 46 3.503 -12.190 -3.366 1.00 0.00 C ATOM 0 H ALA A 46 2.022 -11.109 -1.708 1.00 0.00 H new ATOM 0 HA ALA A 46 3.018 -10.327 -4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.961 -12.597 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.274 -11.750 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.001 -12.990 -2.822 1.00 0.00 H new ATOM 776 N LYS A 47 0.512 -12.468 -4.105 1.00 0.00 N ATOM 777 CA LYS A 47 -0.585 -13.040 -4.874 1.00 0.00 C ATOM 778 C LYS A 47 -1.317 -11.933 -5.618 1.00 0.00 C ATOM 779 O LYS A 47 -1.816 -12.131 -6.726 1.00 0.00 O ATOM 780 CB LYS A 47 -1.554 -13.788 -3.955 1.00 0.00 C ATOM 781 CG LYS A 47 -0.872 -14.789 -3.035 1.00 0.00 C ATOM 782 CD LYS A 47 -0.949 -16.200 -3.592 1.00 0.00 C ATOM 783 CE LYS A 47 0.436 -16.791 -3.799 1.00 0.00 C ATOM 784 NZ LYS A 47 0.431 -17.881 -4.813 1.00 0.00 N ATOM 0 H LYS A 47 0.505 -12.709 -3.114 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.179 -13.751 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.099 -13.064 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.290 -14.311 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.172 -14.507 -2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.341 -14.759 -2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.517 -16.832 -2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.487 -16.190 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.122 -16.005 -4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.810 -17.179 -2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.395 -18.256 -4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.204 -18.643 -4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.099 -17.506 -5.724 1.00 0.00 H new ATOM 798 N ALA A 48 -1.356 -10.758 -4.998 1.00 0.00 N ATOM 799 CA ALA A 48 -1.977 -9.593 -5.600 1.00 0.00 C ATOM 800 C ALA A 48 -1.059 -8.997 -6.658 1.00 0.00 C ATOM 801 O ALA A 48 0.160 -8.969 -6.492 1.00 0.00 O ATOM 802 CB ALA A 48 -2.309 -8.560 -4.537 1.00 0.00 C ATOM 0 H ALA A 48 -0.961 -10.591 -4.073 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.906 -9.900 -6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.774 -7.693 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.997 -8.993 -3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.394 -8.252 -4.031 1.00 0.00 H new ATOM 808 N ILE A 49 -1.649 -8.552 -7.758 1.00 0.00 N ATOM 809 CA ILE A 49 -0.890 -7.981 -8.871 1.00 0.00 C ATOM 810 C ILE A 49 0.355 -8.811 -9.189 1.00 0.00 C ATOM 811 O ILE A 49 1.343 -8.291 -9.704 1.00 0.00 O ATOM 812 CB ILE A 49 -0.476 -6.516 -8.601 1.00 0.00 C ATOM 813 CG1 ILE A 49 0.549 -6.429 -7.453 1.00 0.00 C ATOM 814 CG2 ILE A 49 -1.707 -5.662 -8.315 1.00 0.00 C ATOM 815 CD1 ILE A 49 -0.057 -6.338 -6.065 1.00 0.00 C ATOM 0 H ILE A 49 -2.658 -8.574 -7.908 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.557 -7.998 -9.733 1.00 0.00 H new ATOM 0 HB ILE A 49 0.008 -6.125 -9.496 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.196 -7.305 -7.495 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.183 -5.557 -7.616 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.400 -4.633 -8.127 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.377 -5.690 -9.175 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.225 -6.052 -7.439 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.740 -6.281 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.680 -5.446 -5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.666 -7.222 -5.875 1.00 0.00 H new ATOM 827 N GLY A 50 0.299 -10.108 -8.880 1.00 0.00 N ATOM 828 CA GLY A 50 1.417 -10.999 -9.152 1.00 0.00 C ATOM 829 C GLY A 50 2.768 -10.380 -8.844 1.00 0.00 C ATOM 830 O GLY A 50 3.714 -10.525 -9.621 1.00 0.00 O ATOM 0 H GLY A 50 -0.506 -10.558 -8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.299 -11.908 -8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.391 -11.293 -10.201 1.00 0.00 H new ATOM 834 N ALA A 51 2.864 -9.687 -7.714 1.00 0.00 N ATOM 835 CA ALA A 51 4.115 -9.043 -7.327 1.00 0.00 C ATOM 836 C ALA A 51 5.153 -10.052 -6.890 1.00 0.00 C ATOM 837 O ALA A 51 4.854 -11.018 -6.186 1.00 0.00 O ATOM 838 CB ALA A 51 3.899 -8.034 -6.208 1.00 0.00 C ATOM 0 H ALA A 51 2.097 -9.557 -7.054 1.00 0.00 H new ATOM 0 HA ALA A 51 4.480 -8.523 -8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.851 -7.573 -5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.203 -7.264 -6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.488 -8.541 -5.335 1.00 0.00 H new ATOM 844 N LYS A 52 6.384 -9.788 -7.279 1.00 0.00 N ATOM 845 CA LYS A 52 7.505 -10.605 -6.878 1.00 0.00 C ATOM 846 C LYS A 52 8.315 -9.853 -5.840 1.00 0.00 C ATOM 847 O LYS A 52 8.123 -8.654 -5.649 1.00 0.00 O ATOM 848 CB LYS A 52 8.362 -10.976 -8.087 1.00 0.00 C ATOM 849 CG LYS A 52 9.295 -9.873 -8.567 1.00 0.00 C ATOM 850 CD LYS A 52 10.391 -10.426 -9.461 1.00 0.00 C ATOM 851 CE LYS A 52 10.484 -9.662 -10.772 1.00 0.00 C ATOM 852 NZ LYS A 52 11.138 -10.467 -11.841 1.00 0.00 N ATOM 0 H LYS A 52 6.632 -9.002 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 52 7.143 -11.536 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.958 -11.854 -7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.704 -11.260 -8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.723 -9.122 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.742 -9.372 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.347 -10.373 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.197 -11.479 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.484 -9.374 -11.096 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.046 -8.741 -10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.181 -9.910 -12.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.102 -10.721 -11.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.588 -11.334 -12.009 1.00 0.00 H new ATOM 866 N ARG A 53 9.160 -10.557 -5.117 1.00 0.00 N ATOM 867 CA ARG A 53 9.946 -9.916 -4.096 1.00 0.00 C ATOM 868 C ARG A 53 10.782 -8.785 -4.671 1.00 0.00 C ATOM 869 O ARG A 53 11.397 -8.922 -5.729 1.00 0.00 O ATOM 870 CB ARG A 53 10.812 -10.910 -3.378 1.00 0.00 C ATOM 871 CG ARG A 53 10.932 -10.543 -1.923 1.00 0.00 C ATOM 872 CD ARG A 53 12.351 -10.200 -1.580 1.00 0.00 C ATOM 873 NE ARG A 53 13.227 -11.367 -1.592 1.00 0.00 N ATOM 874 CZ ARG A 53 14.553 -11.290 -1.563 1.00 0.00 C ATOM 875 NH1 ARG A 53 15.151 -10.107 -1.518 1.00 0.00 N ATOM 876 NH2 ARG A 53 15.284 -12.396 -1.577 1.00 0.00 N ATOM 0 H ARG A 53 9.316 -11.560 -5.218 1.00 0.00 H new ATOM 0 HA ARG A 53 9.256 -9.484 -3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.387 -11.909 -3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.801 -10.939 -3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.284 -9.695 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.593 -11.374 -1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.725 -9.462 -2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.381 -9.737 -0.594 1.00 0.00 H new ATOM 0 HE ARG A 53 12.798 -12.292 -1.624 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.593 -9.253 -1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.169 -10.051 -1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.828 -13.308 -1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.302 -12.335 -1.555 1.00 0.00 H new ATOM 890 N GLY A 54 10.769 -7.655 -3.975 1.00 0.00 N ATOM 891 CA GLY A 54 11.501 -6.494 -4.433 1.00 0.00 C ATOM 892 C GLY A 54 10.626 -5.515 -5.205 1.00 0.00 C ATOM 893 O GLY A 54 11.103 -4.473 -5.651 1.00 0.00 O ATOM 0 H GLY A 54 10.263 -7.524 -3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.940 -5.984 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.326 -6.817 -5.068 1.00 0.00 H new ATOM 897 N ASP A 55 9.343 -5.851 -5.369 1.00 0.00 N ATOM 898 CA ASP A 55 8.416 -4.994 -6.100 1.00 0.00 C ATOM 899 C ASP A 55 7.510 -4.224 -5.147 1.00 0.00 C ATOM 900 O ASP A 55 6.814 -4.816 -4.322 1.00 0.00 O ATOM 901 CB ASP A 55 7.555 -5.832 -7.051 1.00 0.00 C ATOM 902 CG ASP A 55 7.936 -5.633 -8.506 1.00 0.00 C ATOM 903 OD1 ASP A 55 8.190 -4.475 -8.899 1.00 0.00 O ATOM 904 OD2 ASP A 55 7.980 -6.634 -9.251 1.00 0.00 O ATOM 0 H ASP A 55 8.927 -6.708 -5.005 1.00 0.00 H new ATOM 0 HA ASP A 55 9.007 -4.280 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.655 -6.886 -6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.506 -5.569 -6.914 1.00 0.00 H new ATOM 909 N ILE A 56 7.487 -2.903 -5.296 1.00 0.00 N ATOM 910 CA ILE A 56 6.638 -2.060 -4.467 1.00 0.00 C ATOM 911 C ILE A 56 5.331 -1.749 -5.189 1.00 0.00 C ATOM 912 O ILE A 56 5.310 -1.567 -6.405 1.00 0.00 O ATOM 913 CB ILE A 56 7.350 -0.744 -4.084 1.00 0.00 C ATOM 914 CG1 ILE A 56 8.585 -1.052 -3.239 1.00 0.00 C ATOM 915 CG2 ILE A 56 6.410 0.190 -3.330 1.00 0.00 C ATOM 916 CD1 ILE A 56 9.888 -0.915 -3.998 1.00 0.00 C ATOM 0 H ILE A 56 8.046 -2.396 -5.982 1.00 0.00 H new ATOM 0 HA ILE A 56 6.422 -2.610 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 56 7.658 -0.239 -5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.603 -0.382 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.505 -2.067 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.938 1.108 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.552 0.429 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.066 -0.298 -2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.721 -1.149 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.891 -1.604 -4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.991 0.107 -4.363 1.00 0.00 H new ATOM 928 N VAL A 57 4.241 -1.700 -4.432 1.00 0.00 N ATOM 929 CA VAL A 57 2.930 -1.432 -5.005 1.00 0.00 C ATOM 930 C VAL A 57 2.459 -0.023 -4.674 1.00 0.00 C ATOM 931 O VAL A 57 2.675 0.474 -3.568 1.00 0.00 O ATOM 932 CB VAL A 57 1.882 -2.442 -4.510 1.00 0.00 C ATOM 933 CG1 VAL A 57 1.669 -2.300 -3.011 1.00 0.00 C ATOM 934 CG2 VAL A 57 0.574 -2.262 -5.265 1.00 0.00 C ATOM 0 H VAL A 57 4.240 -1.842 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 57 3.035 -1.530 -6.086 1.00 0.00 H new ATOM 0 HB VAL A 57 2.251 -3.449 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.924 -3.023 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.609 -2.483 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.321 -1.292 -2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.158 -2.984 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.197 -1.252 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.744 -2.420 -6.330 1.00 0.00 H new ATOM 944 N LYS A 58 1.818 0.619 -5.645 1.00 0.00 N ATOM 945 CA LYS A 58 1.329 1.978 -5.468 1.00 0.00 C ATOM 946 C LYS A 58 -0.191 1.987 -5.276 1.00 0.00 C ATOM 947 O LYS A 58 -0.947 1.599 -6.167 1.00 0.00 O ATOM 948 CB LYS A 58 1.777 2.844 -6.671 1.00 0.00 C ATOM 949 CG LYS A 58 0.696 3.678 -7.349 1.00 0.00 C ATOM 950 CD LYS A 58 0.234 4.830 -6.477 1.00 0.00 C ATOM 951 CE LYS A 58 1.143 6.041 -6.617 1.00 0.00 C ATOM 952 NZ LYS A 58 0.496 7.134 -7.393 1.00 0.00 N ATOM 0 H LYS A 58 1.626 0.218 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 58 1.758 2.409 -4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.565 3.517 -6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.220 2.186 -7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.078 4.068 -8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.155 3.041 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.785 5.106 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.211 4.511 -5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.412 6.409 -5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.069 5.745 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.224 7.790 -7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.020 6.728 -8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.169 7.648 -6.780 1.00 0.00 H new ATOM 966 N ILE A 59 -0.623 2.420 -4.098 1.00 0.00 N ATOM 967 CA ILE A 59 -2.044 2.520 -3.787 1.00 0.00 C ATOM 968 C ILE A 59 -2.421 3.973 -3.529 1.00 0.00 C ATOM 969 O ILE A 59 -1.683 4.697 -2.866 1.00 0.00 O ATOM 970 CB ILE A 59 -2.419 1.676 -2.555 1.00 0.00 C ATOM 971 CG1 ILE A 59 -1.946 0.233 -2.732 1.00 0.00 C ATOM 972 CG2 ILE A 59 -3.921 1.719 -2.320 1.00 0.00 C ATOM 973 CD1 ILE A 59 -0.992 -0.227 -1.652 1.00 0.00 C ATOM 0 H ILE A 59 -0.006 2.709 -3.339 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.594 2.137 -4.647 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.921 2.097 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.814 -0.426 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.458 0.135 -3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.170 1.118 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.234 2.750 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.437 1.321 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.698 -1.259 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.106 0.409 -1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.483 -0.162 -0.681 1.00 0.00 H new ATOM 985 N ILE A 60 -3.559 4.401 -4.063 1.00 0.00 N ATOM 986 CA ILE A 60 -4.005 5.779 -3.886 1.00 0.00 C ATOM 987 C ILE A 60 -5.392 5.839 -3.254 1.00 0.00 C ATOM 988 O ILE A 60 -6.301 5.109 -3.650 1.00 0.00 O ATOM 989 CB ILE A 60 -4.027 6.544 -5.223 1.00 0.00 C ATOM 990 CG1 ILE A 60 -2.782 6.209 -6.050 1.00 0.00 C ATOM 991 CG2 ILE A 60 -4.118 8.042 -4.977 1.00 0.00 C ATOM 992 CD1 ILE A 60 -3.101 5.597 -7.397 1.00 0.00 C ATOM 0 H ILE A 60 -4.186 3.819 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.287 6.254 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.908 6.234 -5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.200 7.118 -6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.155 5.519 -5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.132 8.567 -5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.032 8.265 -4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.255 8.368 -4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.174 5.385 -7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.657 4.670 -7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.703 6.294 -7.980 1.00 0.00 H new ATOM 1004 N ARG A 61 -5.543 6.718 -2.269 1.00 0.00 N ATOM 1005 CA ARG A 61 -6.814 6.892 -1.572 1.00 0.00 C ATOM 1006 C ARG A 61 -7.427 8.246 -1.910 1.00 0.00 C ATOM 1007 O ARG A 61 -6.799 9.283 -1.713 1.00 0.00 O ATOM 1008 CB ARG A 61 -6.600 6.782 -0.060 1.00 0.00 C ATOM 1009 CG ARG A 61 -6.212 5.387 0.400 1.00 0.00 C ATOM 1010 CD ARG A 61 -4.961 5.416 1.262 1.00 0.00 C ATOM 1011 NE ARG A 61 -5.240 5.062 2.650 1.00 0.00 N ATOM 1012 CZ ARG A 61 -4.356 5.192 3.634 1.00 0.00 C ATOM 1013 NH1 ARG A 61 -3.142 5.663 3.379 1.00 0.00 N ATOM 1014 NH2 ARG A 61 -4.683 4.850 4.874 1.00 0.00 N ATOM 0 H ARG A 61 -4.796 7.325 -1.933 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.498 6.108 -1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.822 7.484 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.515 7.082 0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.034 4.946 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.043 4.750 -0.468 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.224 4.724 0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.519 6.412 1.224 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.164 4.695 2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.886 5.926 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.464 5.762 4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.615 4.486 5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.003 4.951 5.627 1.00 0.00 H new ATOM 1028 N LYS A 62 -8.657 8.231 -2.412 1.00 0.00 N ATOM 1029 CA LYS A 62 -9.337 9.463 -2.796 1.00 0.00 C ATOM 1030 C LYS A 62 -10.277 9.948 -1.696 1.00 0.00 C ATOM 1031 O LYS A 62 -11.110 9.192 -1.197 1.00 0.00 O ATOM 1032 CB LYS A 62 -10.122 9.250 -4.091 1.00 0.00 C ATOM 1033 CG LYS A 62 -9.266 8.760 -5.247 1.00 0.00 C ATOM 1034 CD LYS A 62 -8.961 9.881 -6.227 1.00 0.00 C ATOM 1035 CE LYS A 62 -8.134 9.387 -7.403 1.00 0.00 C ATOM 1036 NZ LYS A 62 -8.714 9.813 -8.708 1.00 0.00 N ATOM 0 H LYS A 62 -9.202 7.382 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.576 10.227 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.919 8.529 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.599 10.188 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.333 8.348 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.781 7.952 -5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.894 10.310 -6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.424 10.678 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.116 9.768 -7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.071 8.299 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.121 9.456 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.676 9.429 -8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.750 10.852 -8.749 1.00 0.00 H new ATOM 1050 N SER A 63 -10.154 11.226 -1.346 1.00 0.00 N ATOM 1051 CA SER A 63 -10.987 11.826 -0.316 1.00 0.00 C ATOM 1052 C SER A 63 -11.801 12.987 -0.884 1.00 0.00 C ATOM 1053 O SER A 63 -11.715 13.295 -2.072 1.00 0.00 O ATOM 1054 CB SER A 63 -10.108 12.322 0.841 1.00 0.00 C ATOM 1055 OG SER A 63 -10.084 13.739 0.914 1.00 0.00 O ATOM 0 H SER A 63 -9.480 11.867 -1.766 1.00 0.00 H new ATOM 0 HA SER A 63 -11.679 11.069 0.053 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.481 11.916 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.093 11.947 0.713 1.00 0.00 H new ATOM 0 HG SER A 63 -9.974 14.017 1.847 1.00 0.00 H new ATOM 1061 N PRO A 64 -12.542 13.695 -0.015 1.00 0.00 N ATOM 1062 CA PRO A 64 -13.315 14.869 -0.407 1.00 0.00 C ATOM 1063 C PRO A 64 -12.401 16.073 -0.621 1.00 0.00 C ATOM 1064 O PRO A 64 -11.474 16.299 0.157 1.00 0.00 O ATOM 1065 CB PRO A 64 -14.254 15.101 0.789 1.00 0.00 C ATOM 1066 CG PRO A 64 -14.063 13.919 1.689 1.00 0.00 C ATOM 1067 CD PRO A 64 -12.683 13.426 1.420 1.00 0.00 C ATOM 0 HA PRO A 64 -13.851 14.729 -1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.009 16.030 1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.291 15.181 0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.181 14.201 2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.802 13.145 1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -11.937 13.957 2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.576 12.366 1.650 1.00 0.00 H new ATOM 1075 N THR A 65 -12.644 16.823 -1.692 1.00 0.00 N ATOM 1076 CA THR A 65 -11.818 17.987 -2.033 1.00 0.00 C ATOM 1077 C THR A 65 -10.540 17.569 -2.770 1.00 0.00 C ATOM 1078 O THR A 65 -9.618 18.369 -2.926 1.00 0.00 O ATOM 1079 CB THR A 65 -11.458 18.796 -0.782 1.00 0.00 C ATOM 1080 OG1 THR A 65 -12.532 18.789 0.144 1.00 0.00 O ATOM 1081 CG2 THR A 65 -11.116 20.240 -1.080 1.00 0.00 C ATOM 0 H THR A 65 -13.409 16.648 -2.344 1.00 0.00 H new ATOM 0 HA THR A 65 -12.410 18.617 -2.698 1.00 0.00 H new ATOM 0 HB THR A 65 -10.575 18.310 -0.367 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.284 19.309 0.937 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.871 20.755 -0.151 1.00 0.00 H new ATOM 0 HG22 THR A 65 -10.260 20.280 -1.754 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.970 20.727 -1.550 1.00 0.00 H new ATOM 1089 N ALA A 66 -10.496 16.316 -3.224 1.00 0.00 N ATOM 1090 CA ALA A 66 -9.360 15.801 -3.987 1.00 0.00 C ATOM 1091 C ALA A 66 -8.139 15.514 -3.118 1.00 0.00 C ATOM 1092 O ALA A 66 -7.006 15.658 -3.578 1.00 0.00 O ATOM 1093 CB ALA A 66 -8.981 16.758 -5.105 1.00 0.00 C ATOM 0 H ALA A 66 -11.240 15.635 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.686 14.852 -4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.134 16.354 -5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.828 16.884 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.709 17.724 -4.680 1.00 0.00 H new ATOM 1099 N GLU A 67 -8.352 15.075 -1.883 1.00 0.00 N ATOM 1100 CA GLU A 67 -7.228 14.701 -1.030 1.00 0.00 C ATOM 1101 C GLU A 67 -6.804 13.279 -1.361 1.00 0.00 C ATOM 1102 O GLU A 67 -7.452 12.315 -0.953 1.00 0.00 O ATOM 1103 CB GLU A 67 -7.574 14.808 0.460 1.00 0.00 C ATOM 1104 CG GLU A 67 -8.520 15.952 0.799 1.00 0.00 C ATOM 1105 CD GLU A 67 -7.786 17.242 1.108 1.00 0.00 C ATOM 1106 OE1 GLU A 67 -7.447 17.464 2.289 1.00 0.00 O ATOM 1107 OE2 GLU A 67 -7.550 18.032 0.169 1.00 0.00 O ATOM 0 H GLU A 67 -9.272 14.970 -1.456 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.411 15.396 -1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.024 13.870 0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.652 14.933 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.200 16.116 -0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.131 15.671 1.657 1.00 0.00 H new ATOM 1114 N GLU A 68 -5.725 13.154 -2.122 1.00 0.00 N ATOM 1115 CA GLU A 68 -5.245 11.849 -2.543 1.00 0.00 C ATOM 1116 C GLU A 68 -4.149 11.341 -1.611 1.00 0.00 C ATOM 1117 O GLU A 68 -3.080 11.941 -1.506 1.00 0.00 O ATOM 1118 CB GLU A 68 -4.734 11.922 -3.983 1.00 0.00 C ATOM 1119 CG GLU A 68 -5.677 11.296 -4.994 1.00 0.00 C ATOM 1120 CD GLU A 68 -5.523 11.887 -6.382 1.00 0.00 C ATOM 1121 OE1 GLU A 68 -5.695 13.116 -6.526 1.00 0.00 O ATOM 1122 OE2 GLU A 68 -5.230 11.122 -7.324 1.00 0.00 O ATOM 0 H GLU A 68 -5.168 13.940 -2.459 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.075 11.144 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.570 12.966 -4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.767 11.422 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.495 10.222 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.705 11.431 -4.658 1.00 0.00 H new ATOM 1129 N PHE A 69 -4.427 10.228 -0.939 1.00 0.00 N ATOM 1130 CA PHE A 69 -3.472 9.631 -0.013 1.00 0.00 C ATOM 1131 C PHE A 69 -2.875 8.361 -0.602 1.00 0.00 C ATOM 1132 O PHE A 69 -3.583 7.390 -0.854 1.00 0.00 O ATOM 1133 CB PHE A 69 -4.159 9.314 1.316 1.00 0.00 C ATOM 1134 CG PHE A 69 -3.926 10.354 2.374 1.00 0.00 C ATOM 1135 CD1 PHE A 69 -4.203 11.688 2.121 1.00 0.00 C ATOM 1136 CD2 PHE A 69 -3.430 10.000 3.617 1.00 0.00 C ATOM 1137 CE1 PHE A 69 -3.990 12.649 3.092 1.00 0.00 C ATOM 1138 CE2 PHE A 69 -3.215 10.956 4.592 1.00 0.00 C ATOM 1139 CZ PHE A 69 -3.495 12.283 4.328 1.00 0.00 C ATOM 0 H PHE A 69 -5.308 9.721 -1.019 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.667 10.346 0.160 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.231 9.213 1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.802 8.351 1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.589 11.980 1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.208 8.964 3.828 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.211 13.686 2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.829 10.666 5.558 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.327 13.033 5.087 1.00 0.00 H new ATOM 1149 N VAL A 70 -1.565 8.368 -0.808 1.00 0.00 N ATOM 1150 CA VAL A 70 -0.887 7.222 -1.398 1.00 0.00 C ATOM 1151 C VAL A 70 -0.098 6.433 -0.354 1.00 0.00 C ATOM 1152 O VAL A 70 0.571 7.007 0.507 1.00 0.00 O ATOM 1153 CB VAL A 70 0.051 7.658 -2.544 1.00 0.00 C ATOM 1154 CG1 VAL A 70 0.846 6.478 -3.090 1.00 0.00 C ATOM 1155 CG2 VAL A 70 -0.749 8.319 -3.658 1.00 0.00 C ATOM 0 H VAL A 70 -0.953 9.151 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.661 6.572 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 70 0.761 8.380 -2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.496 6.819 -3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.451 6.047 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.160 5.723 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.075 8.622 -4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.482 7.613 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.263 9.196 -3.266 1.00 0.00 H new ATOM 1165 N THR A 71 -0.173 5.108 -0.458 1.00 0.00 N ATOM 1166 CA THR A 71 0.546 4.217 0.446 1.00 0.00 C ATOM 1167 C THR A 71 1.257 3.124 -0.348 1.00 0.00 C ATOM 1168 O THR A 71 0.638 2.435 -1.159 1.00 0.00 O ATOM 1169 CB THR A 71 -0.420 3.587 1.451 1.00 0.00 C ATOM 1170 OG1 THR A 71 0.288 2.854 2.434 1.00 0.00 O ATOM 1171 CG2 THR A 71 -1.424 2.652 0.812 1.00 0.00 C ATOM 0 H THR A 71 -0.729 4.626 -1.165 1.00 0.00 H new ATOM 0 HA THR A 71 1.289 4.800 0.990 1.00 0.00 H new ATOM 0 HB THR A 71 -0.961 4.423 1.896 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.347 2.460 3.069 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.078 2.240 1.581 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.021 3.201 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.897 1.840 0.311 1.00 0.00 H new ATOM 1179 N TYR A 72 2.560 2.980 -0.127 1.00 0.00 N ATOM 1180 CA TYR A 72 3.346 1.992 -0.859 1.00 0.00 C ATOM 1181 C TYR A 72 3.687 0.782 0.001 1.00 0.00 C ATOM 1182 O TYR A 72 3.948 0.906 1.197 1.00 0.00 O ATOM 1183 CB TYR A 72 4.637 2.621 -1.391 1.00 0.00 C ATOM 1184 CG TYR A 72 4.459 3.416 -2.668 1.00 0.00 C ATOM 1185 CD1 TYR A 72 3.209 3.878 -3.064 1.00 0.00 C ATOM 1186 CD2 TYR A 72 5.550 3.707 -3.476 1.00 0.00 C ATOM 1187 CE1 TYR A 72 3.052 4.604 -4.228 1.00 0.00 C ATOM 1188 CE2 TYR A 72 5.401 4.436 -4.639 1.00 0.00 C ATOM 1189 CZ TYR A 72 4.151 4.876 -5.015 1.00 0.00 C ATOM 1190 OH TYR A 72 4.002 5.597 -6.176 1.00 0.00 O ATOM 0 H TYR A 72 3.091 3.530 0.548 1.00 0.00 H new ATOM 0 HA TYR A 72 2.733 1.652 -1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.052 3.275 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.367 1.831 -1.567 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.346 3.665 -2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.531 3.357 -3.190 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.074 4.957 -4.520 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.262 4.660 -5.252 1.00 0.00 H new ATOM 0 HH TYR A 72 4.702 5.341 -6.812 1.00 0.00 H new ATOM 1200 N ARG A 73 3.701 -0.386 -0.632 1.00 0.00 N ATOM 1201 CA ARG A 73 4.071 -1.623 0.040 1.00 0.00 C ATOM 1202 C ARG A 73 5.140 -2.344 -0.773 1.00 0.00 C ATOM 1203 O ARG A 73 4.970 -2.562 -1.970 1.00 0.00 O ATOM 1204 CB ARG A 73 2.850 -2.531 0.212 1.00 0.00 C ATOM 1205 CG ARG A 73 1.592 -1.792 0.638 1.00 0.00 C ATOM 1206 CD ARG A 73 1.209 -2.120 2.072 1.00 0.00 C ATOM 1207 NE ARG A 73 -0.224 -2.364 2.215 1.00 0.00 N ATOM 1208 CZ ARG A 73 -0.786 -2.827 3.326 1.00 0.00 C ATOM 1209 NH1 ARG A 73 -0.037 -3.096 4.389 1.00 0.00 N ATOM 1210 NH2 ARG A 73 -2.096 -3.021 3.378 1.00 0.00 N ATOM 0 H ARG A 73 3.458 -0.500 -1.616 1.00 0.00 H new ATOM 0 HA ARG A 73 4.463 -1.381 1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.657 -3.046 -0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.079 -3.296 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.749 -0.718 0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.771 -2.056 -0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.761 -3.000 2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.503 -1.297 2.723 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.827 -2.168 1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.971 -2.947 4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.470 -3.451 5.241 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.675 -2.815 2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.525 -3.377 4.232 1.00 0.00 H new ATOM 1224 N LEU A 74 6.231 -2.721 -0.119 1.00 0.00 N ATOM 1225 CA LEU A 74 7.332 -3.399 -0.799 1.00 0.00 C ATOM 1226 C LEU A 74 7.273 -4.903 -0.564 1.00 0.00 C ATOM 1227 O LEU A 74 7.332 -5.363 0.577 1.00 0.00 O ATOM 1228 CB LEU A 74 8.678 -2.844 -0.304 1.00 0.00 C ATOM 1229 CG LEU A 74 9.920 -3.148 -1.165 1.00 0.00 C ATOM 1230 CD1 LEU A 74 11.141 -3.314 -0.272 1.00 0.00 C ATOM 1231 CD2 LEU A 74 9.729 -4.389 -2.030 1.00 0.00 C ATOM 0 H LEU A 74 6.379 -2.570 0.879 1.00 0.00 H new ATOM 0 HA LEU A 74 7.238 -3.215 -1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.585 -1.762 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.857 -3.234 0.698 1.00 0.00 H new ATOM 0 HG LEU A 74 10.070 -2.303 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.015 -3.529 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.309 -2.395 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.975 -4.138 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.629 -4.564 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.540 -5.252 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.881 -4.239 -2.699 1.00 0.00 H new ATOM 1243 N VAL A 75 7.172 -5.667 -1.647 1.00 0.00 N ATOM 1244 CA VAL A 75 7.131 -7.119 -1.545 1.00 0.00 C ATOM 1245 C VAL A 75 8.487 -7.656 -1.093 1.00 0.00 C ATOM 1246 O VAL A 75 9.491 -7.513 -1.790 1.00 0.00 O ATOM 1247 CB VAL A 75 6.718 -7.773 -2.884 1.00 0.00 C ATOM 1248 CG1 VAL A 75 6.790 -9.291 -2.804 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.318 -7.340 -3.272 1.00 0.00 C ATOM 0 H VAL A 75 7.117 -5.306 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 75 6.377 -7.377 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 75 7.420 -7.440 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.494 -9.720 -3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.810 -9.595 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.118 -9.646 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.041 -7.808 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.615 -7.644 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.290 -6.256 -3.382 1.00 0.00 H new ATOM 1259 N GLN A 76 8.500 -8.272 0.083 1.00 0.00 N ATOM 1260 CA GLN A 76 9.722 -8.821 0.660 1.00 0.00 C ATOM 1261 C GLN A 76 9.548 -10.302 0.980 1.00 0.00 C ATOM 1262 O GLN A 76 8.427 -10.783 1.137 1.00 0.00 O ATOM 1263 CB GLN A 76 10.100 -8.052 1.928 1.00 0.00 C ATOM 1264 CG GLN A 76 11.502 -8.358 2.427 1.00 0.00 C ATOM 1265 CD GLN A 76 11.958 -7.404 3.513 1.00 0.00 C ATOM 1266 OE1 GLN A 76 11.263 -6.443 3.843 1.00 0.00 O ATOM 1267 NE2 GLN A 76 13.132 -7.666 4.076 1.00 0.00 N ATOM 0 H GLN A 76 7.670 -8.405 0.661 1.00 0.00 H new ATOM 0 HA GLN A 76 10.524 -8.716 -0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.018 -6.983 1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.383 -8.289 2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.532 -9.378 2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.199 -8.310 1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.675 -8.474 3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.491 -7.059 4.813 1.00 0.00 H new ATOM 1276 N ASP A 77 10.657 -11.031 1.038 1.00 0.00 N ATOM 1277 CA ASP A 77 10.612 -12.457 1.339 1.00 0.00 C ATOM 1278 C ASP A 77 10.971 -12.717 2.798 1.00 0.00 C ATOM 1279 O ASP A 77 10.716 -13.842 3.277 1.00 0.00 O ATOM 1280 CB ASP A 77 11.565 -13.228 0.423 1.00 0.00 C ATOM 1281 CG ASP A 77 11.465 -14.728 0.618 1.00 0.00 C ATOM 1282 OD1 ASP A 77 11.912 -15.221 1.675 1.00 0.00 O ATOM 1283 OD2 ASP A 77 10.939 -15.411 -0.286 1.00 0.00 O ATOM 1284 OXT ASP A 77 11.503 -11.795 3.449 1.00 0.00 O ATOM 0 H ASP A 77 11.594 -10.660 0.881 1.00 0.00 H new ATOM 0 HA ASP A 77 9.594 -12.805 1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.344 -12.984 -0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.589 -12.907 0.615 1.00 0.00 H new TER 1289 ASP A 77