USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 817 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 67 HIS : no HE2:sc= -0.386 K(o=-1.7,f=-18!) USER MOD Set 1.2: A 80 MET CE :methyl -162:sc= -1.33 (180deg=0) USER MOD Set 2.1: A 63 ASN : amide:sc= -2.5! C(o=-11!,f=-14!) USER MOD Set 2.2: A 74 TYR OH : rot 168:sc= -8.38! USER MOD Set 3.1: A 40 SER OG : rot 127:sc= -2.1! USER MOD Set 3.2: A 52 ASN : amide:sc= 0.915 K(o=-4.1,f=0.19!) USER MOD Set 3.3: A 56 ASN : amide:sc= -2.88! C(o=-4.1!,f=0.19!) USER MOD Set 4.1: A 49 THR OG1 : rot 150:sc= 0 USER MOD Set 4.2: A 78 THR OG1 : rot 180:sc= -0.207 USER MOD Set 5.1: A 19 THR OG1 : rot 180:sc= -2.6! USER MOD Set 5.2: A 31 ASN : amide:sc= -6.61! C(o=-9.2!,f=-6!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -35:sc= 0.355 USER MOD Single : A -2 LYS NZ :NH3+ -159:sc= -1.3 (180deg=-1.72) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -23:sc= 0.533 USER MOD Single : A 14 CYS SG : rot -126:sc= -2.64! USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -1.82! C(o=-1.8!,f=-11!) USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.0326 (180deg=-0.613) USER MOD Single : A 26 HIS : no HD1:sc= -0.6 K(o=-0.6,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 39 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-2.2!) USER MOD Single : A 42 GLN : amide:sc= -0.937 K(o=-0.94,f=-3!) USER MOD Single : A 46 TYR OH : rot 106:sc= 0.202 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.846 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= -0.203 (180deg=-0.784) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -146:sc= -0.504 (180deg=-2.28!) USER MOD Single : A 65 SER OG : rot -60:sc= 1.25 USER MOD Single : A 69 THR OG1 : rot 85:sc= -4.08! USER MOD Single : A 70 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.4) USER MOD Single : A 73 LYS NZ :NH3+ 141:sc= -0.152 (180deg=-1.05) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 155:sc= -0.315 (180deg=-1.32!) USER MOD Single : A 89 LYS NZ :NH3+ 157:sc= -0.211 (180deg=-1.2) USER MOD Single : A 92 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.38) USER MOD Single : A 96 THR OG1 : rot 78:sc= 0.507 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -137:sc= -5.24! (180deg=-9.3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -15.445 -5.962 2.749 1.00 0.00 N ATOM 33 CA PHE A -3 -14.230 -5.676 3.566 1.00 0.00 C ATOM 34 C PHE A -3 -14.440 -6.176 4.995 1.00 0.00 C ATOM 35 O PHE A -3 -15.440 -5.887 5.623 1.00 0.00 O ATOM 36 CB PHE A -3 -13.979 -4.168 3.600 1.00 0.00 C ATOM 37 CG PHE A -3 -12.719 -3.888 4.385 1.00 0.00 C ATOM 38 CD1 PHE A -3 -12.774 -3.775 5.779 1.00 0.00 C ATOM 39 CD2 PHE A -3 -11.497 -3.741 3.719 1.00 0.00 C ATOM 40 CE1 PHE A -3 -11.607 -3.513 6.508 1.00 0.00 C ATOM 41 CE2 PHE A -3 -10.330 -3.481 4.446 1.00 0.00 C ATOM 42 CZ PHE A -3 -10.385 -3.367 5.840 1.00 0.00 C ATOM 0 H1 PHE A -3 -15.298 -5.621 1.778 1.00 0.00 H new ATOM 0 H2 PHE A -3 -15.619 -6.987 2.733 1.00 0.00 H new ATOM 0 H3 PHE A -3 -16.266 -5.478 3.166 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.374 -6.184 3.121 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -13.882 -3.781 2.586 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -14.827 -3.657 4.057 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -13.717 -3.890 6.293 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -11.455 -3.828 2.643 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -11.650 -3.424 7.583 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -9.387 -3.368 3.932 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.484 -3.166 6.401 1.00 0.00 H new ATOM 52 N LYS A -2 -13.502 -6.912 5.521 1.00 0.00 N ATOM 53 CA LYS A -2 -13.648 -7.412 6.917 1.00 0.00 C ATOM 54 C LYS A -2 -13.125 -6.352 7.885 1.00 0.00 C ATOM 55 O LYS A -2 -12.018 -5.868 7.748 1.00 0.00 O ATOM 56 CB LYS A -2 -12.846 -8.702 7.090 1.00 0.00 C ATOM 57 CG LYS A -2 -13.122 -9.290 8.475 1.00 0.00 C ATOM 58 CD LYS A -2 -12.404 -10.636 8.613 1.00 0.00 C ATOM 59 CE LYS A -2 -10.891 -10.412 8.615 1.00 0.00 C ATOM 60 NZ LYS A -2 -10.224 -11.548 9.312 1.00 0.00 N ATOM 0 H LYS A -2 -12.642 -7.189 5.047 1.00 0.00 H new ATOM 0 HA LYS A -2 -14.699 -7.614 7.124 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -13.120 -9.420 6.317 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -11.781 -8.500 6.974 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -12.779 -8.602 9.248 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -14.194 -9.422 8.618 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.710 -11.130 9.535 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.683 -11.295 7.791 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -10.523 -10.332 7.592 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -10.652 -9.473 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -9.279 -11.253 9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -10.793 -11.833 10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -10.134 -12.352 8.658 1.00 0.00 H new ATOM 74 N ALA A -1 -13.906 -5.983 8.861 1.00 0.00 N ATOM 75 CA ALA A -1 -13.442 -4.953 9.830 1.00 0.00 C ATOM 76 C ALA A -1 -12.222 -5.483 10.583 1.00 0.00 C ATOM 77 O ALA A -1 -12.343 -6.192 11.561 1.00 0.00 O ATOM 78 CB ALA A -1 -14.559 -4.642 10.826 1.00 0.00 C ATOM 0 H ALA A -1 -14.843 -6.349 9.029 1.00 0.00 H new ATOM 0 HA ALA A -1 -13.176 -4.043 9.293 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -14.216 -3.888 11.534 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.431 -4.267 10.290 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.828 -5.550 11.366 1.00 0.00 H new ATOM 84 N GLY A 1 -11.048 -5.146 10.130 1.00 0.00 N ATOM 85 CA GLY A 1 -9.819 -5.632 10.816 1.00 0.00 C ATOM 86 C GLY A 1 -9.414 -4.637 11.903 1.00 0.00 C ATOM 87 O GLY A 1 -10.092 -3.658 12.146 1.00 0.00 O ATOM 0 H GLY A 1 -10.886 -4.555 9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.999 -6.613 11.255 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.010 -5.749 10.095 1.00 0.00 H new ATOM 91 N SER A 2 -8.309 -4.876 12.558 1.00 0.00 N ATOM 92 CA SER A 2 -7.859 -3.941 13.628 1.00 0.00 C ATOM 93 C SER A 2 -6.675 -3.121 13.113 1.00 0.00 C ATOM 94 O SER A 2 -5.716 -3.655 12.594 1.00 0.00 O ATOM 95 CB SER A 2 -7.429 -4.740 14.858 1.00 0.00 C ATOM 96 OG SER A 2 -7.110 -3.842 15.914 1.00 0.00 O ATOM 0 H SER A 2 -7.699 -5.678 12.398 1.00 0.00 H new ATOM 0 HA SER A 2 -8.677 -3.274 13.899 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.229 -5.413 15.167 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.565 -5.360 14.619 1.00 0.00 H new ATOM 0 HG SER A 2 -6.835 -4.351 16.705 1.00 0.00 H new ATOM 102 N ALA A 3 -6.737 -1.826 13.250 1.00 0.00 N ATOM 103 CA ALA A 3 -5.622 -0.966 12.762 1.00 0.00 C ATOM 104 C ALA A 3 -4.372 -1.188 13.618 1.00 0.00 C ATOM 105 O ALA A 3 -3.261 -0.973 13.174 1.00 0.00 O ATOM 106 CB ALA A 3 -6.040 0.503 12.847 1.00 0.00 C ATOM 0 H ALA A 3 -7.514 -1.324 13.680 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.397 -1.228 11.728 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.226 1.134 12.491 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.923 0.666 12.229 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.269 0.757 13.882 1.00 0.00 H new ATOM 112 N LYS A 4 -4.538 -1.599 14.846 1.00 0.00 N ATOM 113 CA LYS A 4 -3.351 -1.809 15.723 1.00 0.00 C ATOM 114 C LYS A 4 -2.386 -2.807 15.075 1.00 0.00 C ATOM 115 O LYS A 4 -1.195 -2.577 15.015 1.00 0.00 O ATOM 116 CB LYS A 4 -3.810 -2.353 17.077 1.00 0.00 C ATOM 117 CG LYS A 4 -4.672 -1.304 17.783 1.00 0.00 C ATOM 118 CD LYS A 4 -5.033 -1.800 19.184 1.00 0.00 C ATOM 119 CE LYS A 4 -5.991 -0.809 19.846 1.00 0.00 C ATOM 120 NZ LYS A 4 -5.340 -0.216 21.048 1.00 0.00 N ATOM 0 H LYS A 4 -5.440 -1.798 15.278 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.838 -0.857 15.862 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.379 -3.272 16.938 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.946 -2.603 17.692 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.133 -0.359 17.848 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.578 -1.115 17.208 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.496 -2.785 19.124 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.131 -1.908 19.787 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.262 -0.023 19.141 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.914 -1.314 20.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.991 0.458 21.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.102 -0.971 21.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.471 0.280 20.763 1.00 0.00 H new ATOM 134 N LYS A 5 -2.884 -3.911 14.587 1.00 0.00 N ATOM 135 CA LYS A 5 -1.977 -4.907 13.948 1.00 0.00 C ATOM 136 C LYS A 5 -1.388 -4.312 12.668 1.00 0.00 C ATOM 137 O LYS A 5 -0.189 -4.286 12.475 1.00 0.00 O ATOM 138 CB LYS A 5 -2.768 -6.172 13.606 1.00 0.00 C ATOM 139 CG LYS A 5 -3.259 -6.831 14.896 1.00 0.00 C ATOM 140 CD LYS A 5 -3.947 -8.156 14.562 1.00 0.00 C ATOM 141 CE LYS A 5 -4.544 -8.758 15.837 1.00 0.00 C ATOM 142 NZ LYS A 5 -4.379 -10.238 15.808 1.00 0.00 N ATOM 0 H LYS A 5 -3.872 -4.165 14.603 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.170 -5.158 14.637 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.615 -5.922 12.967 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.141 -6.866 13.047 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.420 -7.004 15.570 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.953 -6.169 15.414 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.731 -7.994 13.822 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.230 -8.849 14.121 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.049 -8.343 16.715 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.600 -8.500 15.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.784 -10.649 16.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.870 -10.626 14.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.368 -10.474 15.753 1.00 0.00 H new ATOM 156 N GLY A 6 -2.226 -3.829 11.793 1.00 0.00 N ATOM 157 CA GLY A 6 -1.727 -3.230 10.524 1.00 0.00 C ATOM 158 C GLY A 6 -0.898 -1.981 10.831 1.00 0.00 C ATOM 159 O GLY A 6 -0.013 -1.615 10.084 1.00 0.00 O ATOM 0 H GLY A 6 -3.240 -3.824 11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.121 -3.956 9.982 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.566 -2.971 9.879 1.00 0.00 H new ATOM 163 N ALA A 7 -1.184 -1.315 11.916 1.00 0.00 N ATOM 164 CA ALA A 7 -0.418 -0.083 12.255 1.00 0.00 C ATOM 165 C ALA A 7 1.072 -0.412 12.356 1.00 0.00 C ATOM 166 O ALA A 7 1.906 0.271 11.795 1.00 0.00 O ATOM 167 CB ALA A 7 -0.903 0.468 13.597 1.00 0.00 C ATOM 0 H ALA A 7 -1.914 -1.570 12.581 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.574 0.661 11.474 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.342 1.369 13.844 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.964 0.708 13.530 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.749 -0.280 14.375 1.00 0.00 H new ATOM 173 N THR A 8 1.413 -1.452 13.059 1.00 0.00 N ATOM 174 CA THR A 8 2.847 -1.819 13.188 1.00 0.00 C ATOM 175 C THR A 8 3.338 -2.424 11.871 1.00 0.00 C ATOM 176 O THR A 8 4.460 -2.210 11.460 1.00 0.00 O ATOM 177 CB THR A 8 3.008 -2.839 14.315 1.00 0.00 C ATOM 178 OG1 THR A 8 2.352 -4.047 13.954 1.00 0.00 O ATOM 179 CG2 THR A 8 2.395 -2.285 15.600 1.00 0.00 C ATOM 0 H THR A 8 0.761 -2.064 13.550 1.00 0.00 H new ATOM 0 HA THR A 8 3.434 -0.930 13.417 1.00 0.00 H new ATOM 0 HB THR A 8 4.067 -3.036 14.479 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.543 -3.839 13.442 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.511 -3.014 16.402 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.901 -1.359 15.875 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.335 -2.086 15.441 1.00 0.00 H new ATOM 187 N LEU A 9 2.503 -3.172 11.198 1.00 0.00 N ATOM 188 CA LEU A 9 2.933 -3.772 9.906 1.00 0.00 C ATOM 189 C LEU A 9 3.349 -2.642 8.967 1.00 0.00 C ATOM 190 O LEU A 9 4.348 -2.719 8.282 1.00 0.00 O ATOM 191 CB LEU A 9 1.768 -4.551 9.288 1.00 0.00 C ATOM 192 CG LEU A 9 2.235 -5.262 8.012 1.00 0.00 C ATOM 193 CD1 LEU A 9 3.070 -6.495 8.372 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.015 -5.700 7.199 1.00 0.00 C ATOM 0 H LEU A 9 1.549 -3.391 11.486 1.00 0.00 H new ATOM 0 HA LEU A 9 3.768 -4.454 10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.387 -5.281 10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.947 -3.872 9.057 1.00 0.00 H new ATOM 0 HG LEU A 9 2.845 -4.575 7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.397 -6.993 7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.942 -6.188 8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.466 -7.183 8.964 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.345 -6.206 6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.407 -6.382 7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.423 -4.825 6.932 1.00 0.00 H new ATOM 206 N PHE A 10 2.591 -1.584 8.954 1.00 0.00 N ATOM 207 CA PHE A 10 2.933 -0.426 8.086 1.00 0.00 C ATOM 208 C PHE A 10 4.256 0.171 8.571 1.00 0.00 C ATOM 209 O PHE A 10 5.151 0.454 7.797 1.00 0.00 O ATOM 210 CB PHE A 10 1.822 0.623 8.201 1.00 0.00 C ATOM 211 CG PHE A 10 2.072 1.750 7.230 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.624 1.652 5.907 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.748 2.899 7.656 1.00 0.00 C ATOM 214 CE1 PHE A 10 1.855 2.703 5.011 1.00 0.00 C ATOM 215 CE2 PHE A 10 2.978 3.949 6.759 1.00 0.00 C ATOM 216 CZ PHE A 10 2.532 3.851 5.439 1.00 0.00 C ATOM 0 H PHE A 10 1.744 -1.471 9.511 1.00 0.00 H new ATOM 0 HA PHE A 10 3.029 -0.741 7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.855 0.164 7.996 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.782 1.011 9.219 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.101 0.766 5.578 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.092 2.976 8.677 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.511 2.628 3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.501 4.835 7.088 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.710 4.662 4.748 1.00 0.00 H new ATOM 226 N LYS A 11 4.372 0.362 9.855 1.00 0.00 N ATOM 227 CA LYS A 11 5.619 0.938 10.431 1.00 0.00 C ATOM 228 C LYS A 11 6.804 0.002 10.181 1.00 0.00 C ATOM 229 O LYS A 11 7.904 0.433 9.899 1.00 0.00 O ATOM 230 CB LYS A 11 5.434 1.106 11.941 1.00 0.00 C ATOM 231 CG LYS A 11 6.585 1.941 12.507 1.00 0.00 C ATOM 232 CD LYS A 11 6.435 2.056 14.026 1.00 0.00 C ATOM 233 CE LYS A 11 7.493 3.014 14.574 1.00 0.00 C ATOM 234 NZ LYS A 11 6.833 4.059 15.406 1.00 0.00 N ATOM 0 H LYS A 11 3.647 0.141 10.538 1.00 0.00 H new ATOM 0 HA LYS A 11 5.818 1.900 9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.481 1.592 12.149 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.406 0.130 12.425 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.540 1.478 12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.585 2.933 12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.438 2.417 14.277 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.544 1.075 14.488 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.222 2.465 15.171 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.039 3.479 13.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.552 4.711 15.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.154 4.589 14.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.331 3.607 16.197 1.00 0.00 H new ATOM 248 N THR A 12 6.591 -1.277 10.317 1.00 0.00 N ATOM 249 CA THR A 12 7.705 -2.250 10.127 1.00 0.00 C ATOM 250 C THR A 12 8.091 -2.385 8.651 1.00 0.00 C ATOM 251 O THR A 12 9.224 -2.683 8.331 1.00 0.00 O ATOM 252 CB THR A 12 7.270 -3.619 10.657 1.00 0.00 C ATOM 253 OG1 THR A 12 6.202 -4.114 9.863 1.00 0.00 O ATOM 254 CG2 THR A 12 6.810 -3.483 12.110 1.00 0.00 C ATOM 0 H THR A 12 5.690 -1.693 10.553 1.00 0.00 H new ATOM 0 HA THR A 12 8.574 -1.882 10.673 1.00 0.00 H new ATOM 0 HB THR A 12 8.110 -4.312 10.609 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.749 -3.366 9.421 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.501 -4.458 12.486 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.631 -3.103 12.718 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.970 -2.791 12.162 1.00 0.00 H new ATOM 262 N ARG A 13 7.173 -2.194 7.742 1.00 0.00 N ATOM 263 CA ARG A 13 7.536 -2.348 6.305 1.00 0.00 C ATOM 264 C ARG A 13 6.714 -1.407 5.422 1.00 0.00 C ATOM 265 O ARG A 13 6.061 -1.840 4.494 1.00 0.00 O ATOM 266 CB ARG A 13 7.271 -3.794 5.874 1.00 0.00 C ATOM 267 CG ARG A 13 8.230 -4.735 6.608 1.00 0.00 C ATOM 268 CD ARG A 13 8.057 -6.157 6.073 1.00 0.00 C ATOM 269 NE ARG A 13 8.845 -7.104 6.913 1.00 0.00 N ATOM 270 CZ ARG A 13 8.337 -7.572 8.019 1.00 0.00 C ATOM 271 NH1 ARG A 13 7.138 -7.215 8.390 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.028 -8.400 8.755 1.00 0.00 N ATOM 0 H ARG A 13 6.202 -1.942 7.928 1.00 0.00 H new ATOM 0 HA ARG A 13 8.591 -2.099 6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.239 -4.066 6.095 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.403 -3.893 4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.259 -4.405 6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.031 -4.711 7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.003 -6.435 6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.390 -6.210 5.037 1.00 0.00 H new ATOM 0 HE ARG A 13 9.781 -7.386 6.623 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.597 -6.569 7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.742 -7.582 9.255 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.965 -8.680 8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.631 -8.766 9.620 1.00 0.00 H new ATOM 286 N CYS A 14 6.743 -0.127 5.679 1.00 0.00 N ATOM 287 CA CYS A 14 5.959 0.805 4.817 1.00 0.00 C ATOM 288 C CYS A 14 6.252 2.261 5.196 1.00 0.00 C ATOM 289 O CYS A 14 6.586 3.072 4.358 1.00 0.00 O ATOM 290 CB CYS A 14 4.468 0.519 4.992 1.00 0.00 C ATOM 291 SG CYS A 14 3.586 0.954 3.472 1.00 0.00 S ATOM 0 H CYS A 14 7.267 0.309 6.437 1.00 0.00 H new ATOM 0 HA CYS A 14 6.246 0.652 3.777 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.314 -0.535 5.225 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.073 1.092 5.831 1.00 0.00 H new ATOM 0 HG CYS A 14 2.610 1.766 3.754 1.00 0.00 H new ATOM 296 N LEU A 15 6.117 2.600 6.446 1.00 0.00 N ATOM 297 CA LEU A 15 6.375 4.009 6.871 1.00 0.00 C ATOM 298 C LEU A 15 7.789 4.429 6.458 1.00 0.00 C ATOM 299 O LEU A 15 8.021 5.558 6.075 1.00 0.00 O ATOM 300 CB LEU A 15 6.234 4.115 8.393 1.00 0.00 C ATOM 301 CG LEU A 15 6.402 5.571 8.846 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.111 6.353 8.594 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.717 5.596 10.341 1.00 0.00 C ATOM 0 H LEU A 15 5.839 1.965 7.194 1.00 0.00 H new ATOM 0 HA LEU A 15 5.652 4.667 6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.257 3.742 8.701 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.982 3.488 8.878 1.00 0.00 H new ATOM 0 HG LEU A 15 7.214 6.030 8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.241 7.385 8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.876 6.335 7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.294 5.897 9.153 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.838 6.628 10.670 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.899 5.132 10.893 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.639 5.045 10.528 1.00 0.00 H new ATOM 315 N GLN A 16 8.737 3.541 6.544 1.00 0.00 N ATOM 316 CA GLN A 16 10.132 3.906 6.168 1.00 0.00 C ATOM 317 C GLN A 16 10.168 4.406 4.722 1.00 0.00 C ATOM 318 O GLN A 16 10.927 5.293 4.382 1.00 0.00 O ATOM 319 CB GLN A 16 11.032 2.677 6.301 1.00 0.00 C ATOM 320 CG GLN A 16 11.094 2.247 7.768 1.00 0.00 C ATOM 321 CD GLN A 16 11.961 0.992 7.896 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.229 0.323 6.918 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.410 0.642 9.070 1.00 0.00 N ATOM 0 H GLN A 16 8.608 2.579 6.858 1.00 0.00 H new ATOM 0 HA GLN A 16 10.486 4.696 6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.646 1.862 5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.033 2.905 5.935 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.508 3.051 8.377 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.090 2.048 8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.185 1.204 9.891 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.986 -0.194 9.167 1.00 0.00 H new ATOM 332 N CYS A 17 9.364 3.841 3.867 1.00 0.00 N ATOM 333 CA CYS A 17 9.364 4.279 2.440 1.00 0.00 C ATOM 334 C CYS A 17 8.234 5.274 2.182 1.00 0.00 C ATOM 335 O CYS A 17 8.408 6.257 1.489 1.00 0.00 O ATOM 336 CB CYS A 17 9.158 3.066 1.541 1.00 0.00 C ATOM 337 SG CYS A 17 10.596 1.973 1.642 1.00 0.00 S ATOM 0 H CYS A 17 8.706 3.095 4.092 1.00 0.00 H new ATOM 0 HA CYS A 17 10.319 4.757 2.225 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.259 2.528 1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.007 3.388 0.511 1.00 0.00 H new ATOM 0 HG CYS A 17 10.411 0.940 0.874 1.00 0.00 H new ATOM 342 N HIS A 18 7.069 5.020 2.713 1.00 0.00 N ATOM 343 CA HIS A 18 5.926 5.941 2.470 1.00 0.00 C ATOM 344 C HIS A 18 5.643 6.783 3.714 1.00 0.00 C ATOM 345 O HIS A 18 5.373 6.266 4.780 1.00 0.00 O ATOM 346 CB HIS A 18 4.682 5.115 2.129 1.00 0.00 C ATOM 347 CG HIS A 18 4.823 4.532 0.752 1.00 0.00 C ATOM 348 ND1 HIS A 18 4.659 5.288 -0.402 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.090 3.259 0.331 1.00 0.00 C ATOM 350 CE1 HIS A 18 4.825 4.462 -1.456 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.086 3.220 -1.055 1.00 0.00 N ATOM 0 H HIS A 18 6.861 4.215 3.304 1.00 0.00 H new ATOM 0 HA HIS A 18 6.177 6.606 1.644 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.552 4.317 2.860 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.792 5.742 2.179 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.451 6.286 -0.445 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.275 2.414 0.978 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.755 4.768 -2.489 1.00 0.00 H new ATOM 359 N THR A 19 5.681 8.080 3.578 1.00 0.00 N ATOM 360 CA THR A 19 5.393 8.961 4.741 1.00 0.00 C ATOM 361 C THR A 19 3.878 9.102 4.882 1.00 0.00 C ATOM 362 O THR A 19 3.371 9.476 5.921 1.00 0.00 O ATOM 363 CB THR A 19 6.020 10.337 4.512 1.00 0.00 C ATOM 364 OG1 THR A 19 5.382 10.969 3.410 1.00 0.00 O ATOM 365 CG2 THR A 19 7.513 10.180 4.221 1.00 0.00 C ATOM 0 H THR A 19 5.900 8.567 2.709 1.00 0.00 H new ATOM 0 HA THR A 19 5.813 8.529 5.649 1.00 0.00 H new ATOM 0 HB THR A 19 5.891 10.948 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.782 11.851 3.262 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.957 11.162 4.058 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.000 9.697 5.068 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.647 9.569 3.329 1.00 0.00 H new ATOM 373 N VAL A 20 3.156 8.798 3.836 1.00 0.00 N ATOM 374 CA VAL A 20 1.669 8.903 3.882 1.00 0.00 C ATOM 375 C VAL A 20 1.255 10.156 4.659 1.00 0.00 C ATOM 376 O VAL A 20 0.146 10.256 5.145 1.00 0.00 O ATOM 377 CB VAL A 20 1.080 7.646 4.540 1.00 0.00 C ATOM 378 CG1 VAL A 20 1.538 7.529 5.999 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.448 7.720 4.495 1.00 0.00 C ATOM 0 H VAL A 20 3.536 8.479 2.945 1.00 0.00 H new ATOM 0 HA VAL A 20 1.283 8.982 2.866 1.00 0.00 H new ATOM 0 HB VAL A 20 1.430 6.771 3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.109 6.632 6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.626 7.467 6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.206 8.405 6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.869 6.829 4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.785 8.606 5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.779 7.778 3.458 1.00 0.00 H new ATOM 389 N GLU A 21 2.134 11.116 4.770 1.00 0.00 N ATOM 390 CA GLU A 21 1.787 12.366 5.506 1.00 0.00 C ATOM 391 C GLU A 21 1.651 13.514 4.506 1.00 0.00 C ATOM 392 O GLU A 21 2.543 13.771 3.720 1.00 0.00 O ATOM 393 CB GLU A 21 2.893 12.691 6.511 1.00 0.00 C ATOM 394 CG GLU A 21 2.474 13.892 7.362 1.00 0.00 C ATOM 395 CD GLU A 21 3.622 14.281 8.297 1.00 0.00 C ATOM 396 OE1 GLU A 21 4.659 13.642 8.226 1.00 0.00 O ATOM 397 OE2 GLU A 21 3.443 15.210 9.066 1.00 0.00 O ATOM 0 H GLU A 21 3.077 11.088 4.383 1.00 0.00 H new ATOM 0 HA GLU A 21 0.846 12.230 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.084 11.828 7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.823 12.911 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.213 14.733 6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.585 13.647 7.943 1.00 0.00 H new ATOM 404 N LYS A 22 0.547 14.209 4.525 1.00 0.00 N ATOM 405 CA LYS A 22 0.365 15.338 3.570 1.00 0.00 C ATOM 406 C LYS A 22 1.349 16.460 3.910 1.00 0.00 C ATOM 407 O LYS A 22 1.925 17.079 3.039 1.00 0.00 O ATOM 408 CB LYS A 22 -1.072 15.861 3.667 1.00 0.00 C ATOM 409 CG LYS A 22 -1.286 16.540 5.022 1.00 0.00 C ATOM 410 CD LYS A 22 -2.763 16.915 5.176 1.00 0.00 C ATOM 411 CE LYS A 22 -2.928 17.860 6.366 1.00 0.00 C ATOM 412 NZ LYS A 22 -2.105 17.371 7.508 1.00 0.00 N ATOM 0 H LYS A 22 -0.235 14.044 5.159 1.00 0.00 H new ATOM 0 HA LYS A 22 0.554 14.991 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.267 16.568 2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.777 15.038 3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.983 15.871 5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.663 17.432 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.125 17.393 4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.363 16.018 5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.621 18.868 6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.977 17.915 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.469 17.773 8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.154 16.333 7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.117 17.665 7.375 1.00 0.00 H new ATOM 426 N GLY A 23 1.543 16.728 5.172 1.00 0.00 N ATOM 427 CA GLY A 23 2.486 17.811 5.571 1.00 0.00 C ATOM 428 C GLY A 23 3.902 17.467 5.106 1.00 0.00 C ATOM 429 O GLY A 23 4.662 18.329 4.708 1.00 0.00 O ATOM 0 H GLY A 23 1.088 16.243 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.171 18.759 5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.470 17.938 6.653 1.00 0.00 H new ATOM 433 N GLY A 24 4.267 16.217 5.161 1.00 0.00 N ATOM 434 CA GLY A 24 5.639 15.823 4.731 1.00 0.00 C ATOM 435 C GLY A 24 5.686 15.683 3.204 1.00 0.00 C ATOM 436 O GLY A 24 4.691 15.383 2.574 1.00 0.00 O ATOM 0 H GLY A 24 3.676 15.451 5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.361 16.570 5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.920 14.880 5.200 1.00 0.00 H new ATOM 440 N PRO A 25 6.838 15.888 2.613 1.00 0.00 N ATOM 441 CA PRO A 25 7.019 15.771 1.136 1.00 0.00 C ATOM 442 C PRO A 25 7.096 14.308 0.684 1.00 0.00 C ATOM 443 O PRO A 25 6.576 13.424 1.332 1.00 0.00 O ATOM 444 CB PRO A 25 8.352 16.479 0.891 1.00 0.00 C ATOM 445 CG PRO A 25 9.126 16.264 2.147 1.00 0.00 C ATOM 446 CD PRO A 25 8.102 16.255 3.281 1.00 0.00 C ATOM 0 HA PRO A 25 6.186 16.201 0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.871 16.061 0.029 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.207 17.541 0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.675 15.323 2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.861 17.056 2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.369 15.535 4.055 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.031 17.230 3.763 1.00 0.00 H new ATOM 454 N HIS A 26 7.748 14.046 -0.416 1.00 0.00 N ATOM 455 CA HIS A 26 7.863 12.641 -0.896 1.00 0.00 C ATOM 456 C HIS A 26 9.229 12.082 -0.497 1.00 0.00 C ATOM 457 O HIS A 26 10.240 12.742 -0.628 1.00 0.00 O ATOM 458 CB HIS A 26 7.729 12.606 -2.421 1.00 0.00 C ATOM 459 CG HIS A 26 6.333 13.002 -2.820 1.00 0.00 C ATOM 460 ND1 HIS A 26 5.330 12.066 -3.026 1.00 0.00 N ATOM 461 CD2 HIS A 26 5.760 14.227 -3.066 1.00 0.00 C ATOM 462 CE1 HIS A 26 4.217 12.736 -3.382 1.00 0.00 C ATOM 463 NE2 HIS A 26 4.427 14.052 -3.420 1.00 0.00 N ATOM 0 H HIS A 26 8.205 14.744 -1.002 1.00 0.00 H new ATOM 0 HA HIS A 26 7.072 12.039 -0.448 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.453 13.284 -2.874 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.953 11.606 -2.792 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.267 15.178 -2.995 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.272 12.265 -3.609 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.751 14.778 -3.659 1.00 0.00 H new ATOM 472 N LYS A 27 9.268 10.870 -0.010 1.00 0.00 N ATOM 473 CA LYS A 27 10.571 10.271 0.399 1.00 0.00 C ATOM 474 C LYS A 27 10.985 9.216 -0.631 1.00 0.00 C ATOM 475 O LYS A 27 10.984 9.465 -1.821 1.00 0.00 O ATOM 476 CB LYS A 27 10.418 9.613 1.775 1.00 0.00 C ATOM 477 CG LYS A 27 11.799 9.322 2.376 1.00 0.00 C ATOM 478 CD LYS A 27 12.342 10.579 3.061 1.00 0.00 C ATOM 479 CE LYS A 27 13.631 10.235 3.809 1.00 0.00 C ATOM 480 NZ LYS A 27 14.324 11.493 4.209 1.00 0.00 N ATOM 0 H LYS A 27 8.454 10.270 0.122 1.00 0.00 H new ATOM 0 HA LYS A 27 11.334 11.048 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.854 10.268 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.850 8.687 1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.728 8.506 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.485 8.998 1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.535 11.355 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.601 10.977 3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.404 9.636 4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.283 9.634 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.201 11.260 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.554 12.048 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.702 12.050 4.829 1.00 0.00 H new ATOM 494 N VAL A 28 11.338 8.040 -0.187 1.00 0.00 N ATOM 495 CA VAL A 28 11.752 6.977 -1.145 1.00 0.00 C ATOM 496 C VAL A 28 10.577 6.637 -2.066 1.00 0.00 C ATOM 497 O VAL A 28 10.747 6.441 -3.253 1.00 0.00 O ATOM 498 CB VAL A 28 12.172 5.727 -0.370 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.427 4.580 -1.349 1.00 0.00 C ATOM 500 CG2 VAL A 28 13.451 6.021 0.415 1.00 0.00 C ATOM 0 H VAL A 28 11.357 7.770 0.797 1.00 0.00 H new ATOM 0 HA VAL A 28 12.592 7.332 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 28 11.378 5.444 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.726 3.690 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.516 4.370 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.221 4.862 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.751 5.131 0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.245 6.304 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.270 6.838 1.114 1.00 0.00 H new ATOM 510 N GLY A 29 9.389 6.562 -1.525 1.00 0.00 N ATOM 511 CA GLY A 29 8.201 6.233 -2.366 1.00 0.00 C ATOM 512 C GLY A 29 7.170 7.360 -2.269 1.00 0.00 C ATOM 513 O GLY A 29 7.204 8.168 -1.361 1.00 0.00 O ATOM 0 H GLY A 29 9.190 6.715 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.505 6.094 -3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.759 5.293 -2.035 1.00 0.00 H new ATOM 517 N PRO A 30 6.259 7.405 -3.202 1.00 0.00 N ATOM 518 CA PRO A 30 5.185 8.440 -3.244 1.00 0.00 C ATOM 519 C PRO A 30 4.339 8.439 -1.967 1.00 0.00 C ATOM 520 O PRO A 30 4.072 7.406 -1.397 1.00 0.00 O ATOM 521 CB PRO A 30 4.330 8.048 -4.458 1.00 0.00 C ATOM 522 CG PRO A 30 4.715 6.648 -4.800 1.00 0.00 C ATOM 523 CD PRO A 30 6.153 6.468 -4.324 1.00 0.00 C ATOM 0 HA PRO A 30 5.597 9.446 -3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.267 8.114 -4.224 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.514 8.719 -5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.052 5.933 -4.313 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.637 6.475 -5.873 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.347 5.442 -4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.869 6.702 -5.112 1.00 0.00 H new ATOM 531 N ASN A 31 3.922 9.589 -1.511 1.00 0.00 N ATOM 532 CA ASN A 31 3.103 9.647 -0.266 1.00 0.00 C ATOM 533 C ASN A 31 1.667 9.210 -0.567 1.00 0.00 C ATOM 534 O ASN A 31 1.143 9.455 -1.636 1.00 0.00 O ATOM 535 CB ASN A 31 3.092 11.083 0.263 1.00 0.00 C ATOM 536 CG ASN A 31 4.529 11.585 0.409 1.00 0.00 C ATOM 537 OD1 ASN A 31 4.843 12.686 0.007 1.00 0.00 O ATOM 538 ND2 ASN A 31 5.422 10.817 0.972 1.00 0.00 N ATOM 0 H ASN A 31 4.113 10.491 -1.947 1.00 0.00 H new ATOM 0 HA ASN A 31 3.534 8.979 0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.538 11.728 -0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.582 11.123 1.226 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.383 11.143 1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.158 9.891 1.310 1.00 0.00 H new ATOM 545 N LEU A 32 1.021 8.567 0.372 1.00 0.00 N ATOM 546 CA LEU A 32 -0.382 8.120 0.141 1.00 0.00 C ATOM 547 C LEU A 32 -1.351 9.115 0.784 1.00 0.00 C ATOM 548 O LEU A 32 -1.135 9.592 1.879 1.00 0.00 O ATOM 549 CB LEU A 32 -0.595 6.738 0.766 1.00 0.00 C ATOM 550 CG LEU A 32 0.330 5.721 0.099 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.785 6.043 0.442 1.00 0.00 C ATOM 552 CD2 LEU A 32 -0.012 4.316 0.603 1.00 0.00 C ATOM 0 H LEU A 32 1.406 8.333 1.287 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.567 8.068 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.395 6.778 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.634 6.431 0.647 1.00 0.00 H new ATOM 0 HG LEU A 32 0.196 5.766 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.441 5.315 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.031 7.043 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.922 6.001 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.647 3.589 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.121 4.275 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.048 4.083 0.356 1.00 0.00 H new ATOM 564 N HIS A 33 -2.423 9.423 0.109 1.00 0.00 N ATOM 565 CA HIS A 33 -3.421 10.376 0.669 1.00 0.00 C ATOM 566 C HIS A 33 -4.616 10.440 -0.277 1.00 0.00 C ATOM 567 O HIS A 33 -4.596 11.136 -1.272 1.00 0.00 O ATOM 568 CB HIS A 33 -2.793 11.766 0.804 1.00 0.00 C ATOM 569 CG HIS A 33 -3.782 12.703 1.443 1.00 0.00 C ATOM 570 ND1 HIS A 33 -4.206 12.548 2.756 1.00 0.00 N ATOM 571 CD2 HIS A 33 -4.439 13.809 0.965 1.00 0.00 C ATOM 572 CE1 HIS A 33 -5.080 13.537 3.019 1.00 0.00 C ATOM 573 NE2 HIS A 33 -5.255 14.332 1.961 1.00 0.00 N ATOM 0 H HIS A 33 -2.652 9.053 -0.813 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.743 10.040 1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.887 11.710 1.407 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.501 12.142 -0.177 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.337 14.211 -0.032 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.578 13.671 3.968 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -5.860 15.151 1.897 1.00 0.00 H new ATOM 582 N GLY A 34 -5.649 9.702 0.013 1.00 0.00 N ATOM 583 CA GLY A 34 -6.834 9.703 -0.886 1.00 0.00 C ATOM 584 C GLY A 34 -6.556 8.741 -2.037 1.00 0.00 C ATOM 585 O GLY A 34 -7.280 8.683 -3.009 1.00 0.00 O ATOM 0 H GLY A 34 -5.724 9.099 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.726 9.396 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.023 10.707 -1.266 1.00 0.00 H new ATOM 589 N ILE A 35 -5.496 7.984 -1.925 1.00 0.00 N ATOM 590 CA ILE A 35 -5.143 7.017 -2.999 1.00 0.00 C ATOM 591 C ILE A 35 -6.298 6.035 -3.198 1.00 0.00 C ATOM 592 O ILE A 35 -6.451 5.447 -4.249 1.00 0.00 O ATOM 593 CB ILE A 35 -3.880 6.252 -2.601 1.00 0.00 C ATOM 594 CG1 ILE A 35 -3.306 5.537 -3.830 1.00 0.00 C ATOM 595 CG2 ILE A 35 -4.226 5.219 -1.526 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.889 5.048 -3.523 1.00 0.00 C ATOM 0 H ILE A 35 -4.858 7.996 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.961 7.555 -3.929 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.141 6.951 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.941 4.694 -4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.291 6.215 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.326 4.674 -1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.634 5.726 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.965 4.520 -1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.482 4.540 -4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.257 5.899 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.917 4.356 -2.682 1.00 0.00 H new ATOM 608 N PHE A 36 -7.113 5.854 -2.195 1.00 0.00 N ATOM 609 CA PHE A 36 -8.254 4.914 -2.328 1.00 0.00 C ATOM 610 C PHE A 36 -9.224 5.455 -3.381 1.00 0.00 C ATOM 611 O PHE A 36 -9.588 6.615 -3.363 1.00 0.00 O ATOM 612 CB PHE A 36 -8.966 4.801 -0.979 1.00 0.00 C ATOM 613 CG PHE A 36 -8.065 4.100 0.014 1.00 0.00 C ATOM 614 CD1 PHE A 36 -8.095 2.704 0.113 1.00 0.00 C ATOM 615 CD2 PHE A 36 -7.202 4.842 0.835 1.00 0.00 C ATOM 616 CE1 PHE A 36 -7.267 2.049 1.032 1.00 0.00 C ATOM 617 CE2 PHE A 36 -6.374 4.184 1.754 1.00 0.00 C ATOM 618 CZ PHE A 36 -6.408 2.788 1.851 1.00 0.00 C ATOM 0 H PHE A 36 -7.035 6.318 -1.290 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.898 3.930 -2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.228 5.793 -0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.898 4.247 -1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.757 2.132 -0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.176 5.919 0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.292 0.972 1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.710 4.754 2.387 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.770 2.281 2.560 1.00 0.00 H new ATOM 628 N GLY A 37 -9.635 4.631 -4.305 1.00 0.00 N ATOM 629 CA GLY A 37 -10.569 5.110 -5.364 1.00 0.00 C ATOM 630 C GLY A 37 -9.829 6.104 -6.259 1.00 0.00 C ATOM 631 O GLY A 37 -10.412 7.021 -6.803 1.00 0.00 O ATOM 0 H GLY A 37 -9.366 3.650 -4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.934 4.269 -5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.440 5.584 -4.913 1.00 0.00 H new ATOM 635 N ARG A 38 -8.541 5.935 -6.402 1.00 0.00 N ATOM 636 CA ARG A 38 -7.747 6.875 -7.243 1.00 0.00 C ATOM 637 C ARG A 38 -6.808 6.088 -8.161 1.00 0.00 C ATOM 638 O ARG A 38 -6.391 4.991 -7.849 1.00 0.00 O ATOM 639 CB ARG A 38 -6.921 7.781 -6.329 1.00 0.00 C ATOM 640 CG ARG A 38 -6.152 8.805 -7.166 1.00 0.00 C ATOM 641 CD ARG A 38 -5.247 9.632 -6.250 1.00 0.00 C ATOM 642 NE ARG A 38 -6.085 10.384 -5.274 1.00 0.00 N ATOM 643 CZ ARG A 38 -5.540 11.291 -4.511 1.00 0.00 C ATOM 644 NH1 ARG A 38 -4.262 11.539 -4.601 1.00 0.00 N ATOM 645 NH2 ARG A 38 -6.273 11.951 -3.655 1.00 0.00 N ATOM 0 H ARG A 38 -8.004 5.183 -5.970 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.421 7.475 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.575 8.293 -5.623 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.225 7.182 -5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.555 8.297 -7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.848 9.457 -7.693 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.552 8.979 -5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.648 10.325 -6.841 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.084 10.190 -5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.688 11.023 -5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.837 12.248 -4.004 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.272 11.757 -3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.847 12.660 -3.059 1.00 0.00 H new ATOM 659 N HIS A 39 -6.464 6.650 -9.291 1.00 0.00 N ATOM 660 CA HIS A 39 -5.545 5.946 -10.227 1.00 0.00 C ATOM 661 C HIS A 39 -4.107 6.391 -9.943 1.00 0.00 C ATOM 662 O HIS A 39 -3.860 7.525 -9.587 1.00 0.00 O ATOM 663 CB HIS A 39 -5.912 6.301 -11.670 1.00 0.00 C ATOM 664 CG HIS A 39 -7.279 5.758 -11.988 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.436 6.491 -11.760 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.689 4.561 -12.521 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.479 5.733 -12.151 1.00 0.00 C ATOM 668 NE2 HIS A 39 -9.077 4.552 -12.621 1.00 0.00 N ATOM 0 H HIS A 39 -6.782 7.567 -9.604 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.633 4.869 -10.088 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.898 7.383 -11.804 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.175 5.885 -12.357 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.036 3.753 -12.816 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.512 6.043 -12.091 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.664 3.799 -12.979 1.00 0.00 H new ATOM 677 N SER A 40 -3.158 5.506 -10.088 1.00 0.00 N ATOM 678 CA SER A 40 -1.743 5.883 -9.811 1.00 0.00 C ATOM 679 C SER A 40 -1.264 6.907 -10.842 1.00 0.00 C ATOM 680 O SER A 40 -1.807 7.018 -11.923 1.00 0.00 O ATOM 681 CB SER A 40 -0.858 4.639 -9.890 1.00 0.00 C ATOM 682 OG SER A 40 -0.686 4.271 -11.252 1.00 0.00 O ATOM 0 H SER A 40 -3.301 4.541 -10.385 1.00 0.00 H new ATOM 0 HA SER A 40 -1.680 6.318 -8.814 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.110 4.837 -9.430 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.313 3.819 -9.334 1.00 0.00 H new ATOM 0 HG SER A 40 0.270 4.181 -11.448 1.00 0.00 H new ATOM 688 N GLY A 41 -0.242 7.650 -10.514 1.00 0.00 N ATOM 689 CA GLY A 41 0.288 8.662 -11.469 1.00 0.00 C ATOM 690 C GLY A 41 -0.411 10.007 -11.251 1.00 0.00 C ATOM 691 O GLY A 41 0.103 11.048 -11.606 1.00 0.00 O ATOM 0 H GLY A 41 0.250 7.599 -9.622 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.363 8.775 -11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.132 8.324 -12.493 1.00 0.00 H new ATOM 695 N GLN A 42 -1.585 9.994 -10.677 1.00 0.00 N ATOM 696 CA GLN A 42 -2.319 11.273 -10.450 1.00 0.00 C ATOM 697 C GLN A 42 -1.524 12.185 -9.508 1.00 0.00 C ATOM 698 O GLN A 42 -1.523 13.391 -9.659 1.00 0.00 O ATOM 699 CB GLN A 42 -3.688 10.976 -9.835 1.00 0.00 C ATOM 700 CG GLN A 42 -4.530 12.255 -9.837 1.00 0.00 C ATOM 701 CD GLN A 42 -5.876 11.986 -9.160 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.950 11.865 -7.954 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.951 11.889 -9.892 1.00 0.00 N ATOM 0 H GLN A 42 -2.067 9.154 -10.356 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.447 11.779 -11.407 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.192 10.194 -10.402 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.570 10.606 -8.817 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.001 13.051 -9.313 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.688 12.597 -10.860 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.889 11.991 -10.905 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.854 11.712 -9.451 1.00 0.00 H new ATOM 712 N ALA A 43 -0.857 11.629 -8.532 1.00 0.00 N ATOM 713 CA ALA A 43 -0.083 12.481 -7.586 1.00 0.00 C ATOM 714 C ALA A 43 0.971 13.285 -8.352 1.00 0.00 C ATOM 715 O ALA A 43 1.142 14.466 -8.131 1.00 0.00 O ATOM 716 CB ALA A 43 0.613 11.595 -6.547 1.00 0.00 C ATOM 0 H ALA A 43 -0.815 10.626 -8.350 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.766 13.166 -7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.179 12.220 -5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.135 11.027 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.291 10.907 -7.051 1.00 0.00 H new ATOM 722 N GLU A 44 1.672 12.651 -9.249 1.00 0.00 N ATOM 723 CA GLU A 44 2.718 13.366 -10.044 1.00 0.00 C ATOM 724 C GLU A 44 3.761 14.016 -9.120 1.00 0.00 C ATOM 725 O GLU A 44 4.835 14.381 -9.552 1.00 0.00 O ATOM 726 CB GLU A 44 2.058 14.449 -10.903 1.00 0.00 C ATOM 727 CG GLU A 44 1.073 13.799 -11.875 1.00 0.00 C ATOM 728 CD GLU A 44 0.475 14.871 -12.789 1.00 0.00 C ATOM 729 OE1 GLU A 44 0.706 16.041 -12.528 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.203 14.504 -13.735 1.00 0.00 O ATOM 0 H GLU A 44 1.567 11.661 -9.470 1.00 0.00 H new ATOM 0 HA GLU A 44 3.222 12.639 -10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.538 15.166 -10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.817 15.004 -11.455 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.581 13.040 -12.471 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.281 13.294 -11.323 1.00 0.00 H new ATOM 737 N GLY A 45 3.462 14.170 -7.855 1.00 0.00 N ATOM 738 CA GLY A 45 4.447 14.799 -6.929 1.00 0.00 C ATOM 739 C GLY A 45 5.752 14.002 -6.945 1.00 0.00 C ATOM 740 O GLY A 45 6.827 14.556 -6.825 1.00 0.00 O ATOM 0 H GLY A 45 2.581 13.888 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.636 15.830 -7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.041 14.830 -5.918 1.00 0.00 H new ATOM 744 N TYR A 46 5.662 12.708 -7.091 1.00 0.00 N ATOM 745 CA TYR A 46 6.892 11.866 -7.114 1.00 0.00 C ATOM 746 C TYR A 46 6.928 11.064 -8.418 1.00 0.00 C ATOM 747 O TYR A 46 5.911 10.629 -8.917 1.00 0.00 O ATOM 748 CB TYR A 46 6.872 10.912 -5.917 1.00 0.00 C ATOM 749 CG TYR A 46 8.174 10.149 -5.849 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.321 10.771 -5.342 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.233 8.822 -6.289 1.00 0.00 C ATOM 752 CE1 TYR A 46 10.528 10.063 -5.275 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.440 8.115 -6.222 1.00 0.00 C ATOM 754 CZ TYR A 46 10.587 8.736 -5.715 1.00 0.00 C ATOM 755 OH TYR A 46 11.777 8.040 -5.649 1.00 0.00 O ATOM 0 H TYR A 46 4.786 12.196 -7.196 1.00 0.00 H new ATOM 0 HA TYR A 46 7.778 12.499 -7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.720 11.474 -4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.037 10.217 -6.008 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.275 11.795 -5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.348 8.343 -6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.413 10.542 -4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.486 7.091 -6.562 1.00 0.00 H new ATOM 0 HH TYR A 46 11.734 7.387 -4.920 1.00 0.00 H new ATOM 765 N SER A 47 8.092 10.876 -8.977 1.00 0.00 N ATOM 766 CA SER A 47 8.188 10.115 -10.255 1.00 0.00 C ATOM 767 C SER A 47 7.756 8.663 -10.033 1.00 0.00 C ATOM 768 O SER A 47 7.757 8.166 -8.924 1.00 0.00 O ATOM 769 CB SER A 47 9.632 10.144 -10.755 1.00 0.00 C ATOM 770 OG SER A 47 10.425 9.276 -9.952 1.00 0.00 O ATOM 0 H SER A 47 8.979 11.216 -8.605 1.00 0.00 H new ATOM 0 HA SER A 47 7.532 10.574 -10.995 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.674 9.832 -11.799 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.024 11.160 -10.710 1.00 0.00 H new ATOM 0 HG SER A 47 11.352 9.291 -10.271 1.00 0.00 H new ATOM 776 N TYR A 48 7.388 7.984 -11.086 1.00 0.00 N ATOM 777 CA TYR A 48 6.954 6.563 -10.958 1.00 0.00 C ATOM 778 C TYR A 48 7.896 5.665 -11.764 1.00 0.00 C ATOM 779 O TYR A 48 8.407 6.055 -12.796 1.00 0.00 O ATOM 780 CB TYR A 48 5.526 6.418 -11.490 1.00 0.00 C ATOM 781 CG TYR A 48 4.561 7.078 -10.534 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.257 8.437 -10.669 1.00 0.00 C ATOM 783 CD2 TYR A 48 3.973 6.327 -9.509 1.00 0.00 C ATOM 784 CE1 TYR A 48 3.362 9.046 -9.777 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.079 6.935 -8.620 1.00 0.00 C ATOM 786 CZ TYR A 48 2.773 8.293 -8.754 1.00 0.00 C ATOM 787 OH TYR A 48 1.891 8.889 -7.876 1.00 0.00 O ATOM 0 H TYR A 48 7.369 8.355 -12.036 1.00 0.00 H new ATOM 0 HA TYR A 48 6.983 6.266 -9.910 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.446 6.875 -12.476 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.275 5.364 -11.606 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.711 9.017 -11.459 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.209 5.278 -9.404 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.127 10.095 -9.879 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.625 6.355 -7.830 1.00 0.00 H new ATOM 0 HH TYR A 48 1.574 8.225 -7.229 1.00 0.00 H new ATOM 797 N THR A 49 8.133 4.469 -11.302 1.00 0.00 N ATOM 798 CA THR A 49 9.045 3.551 -12.041 1.00 0.00 C ATOM 799 C THR A 49 8.318 2.973 -13.256 1.00 0.00 C ATOM 800 O THR A 49 7.110 3.042 -13.364 1.00 0.00 O ATOM 801 CB THR A 49 9.480 2.405 -11.124 1.00 0.00 C ATOM 802 OG1 THR A 49 8.362 1.580 -10.835 1.00 0.00 O ATOM 803 CG2 THR A 49 10.049 2.972 -9.822 1.00 0.00 C ATOM 0 H THR A 49 7.735 4.087 -10.444 1.00 0.00 H new ATOM 0 HA THR A 49 9.922 4.109 -12.369 1.00 0.00 H new ATOM 0 HB THR A 49 10.248 1.815 -11.624 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.664 0.659 -10.689 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.357 2.153 -9.172 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.910 3.602 -10.045 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.286 3.566 -9.319 1.00 0.00 H new ATOM 811 N ASP A 50 9.050 2.401 -14.171 1.00 0.00 N ATOM 812 CA ASP A 50 8.416 1.813 -15.384 1.00 0.00 C ATOM 813 C ASP A 50 7.350 0.798 -14.966 1.00 0.00 C ATOM 814 O ASP A 50 6.367 0.599 -15.649 1.00 0.00 O ATOM 815 CB ASP A 50 9.480 1.115 -16.227 1.00 0.00 C ATOM 816 CG ASP A 50 10.434 2.158 -16.814 1.00 0.00 C ATOM 817 OD1 ASP A 50 10.115 3.333 -16.737 1.00 0.00 O ATOM 818 OD2 ASP A 50 11.466 1.763 -17.330 1.00 0.00 O ATOM 0 H ASP A 50 10.066 2.315 -14.130 1.00 0.00 H new ATOM 0 HA ASP A 50 7.950 2.606 -15.969 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.034 0.404 -15.615 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.008 0.546 -17.029 1.00 0.00 H new ATOM 823 N ALA A 51 7.548 0.140 -13.858 1.00 0.00 N ATOM 824 CA ALA A 51 6.556 -0.876 -13.402 1.00 0.00 C ATOM 825 C ALA A 51 5.145 -0.272 -13.367 1.00 0.00 C ATOM 826 O ALA A 51 4.326 -0.545 -14.221 1.00 0.00 O ATOM 827 CB ALA A 51 6.943 -1.363 -12.003 1.00 0.00 C ATOM 0 H ALA A 51 8.355 0.262 -13.247 1.00 0.00 H new ATOM 0 HA ALA A 51 6.557 -1.713 -14.100 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.221 -2.106 -11.664 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.937 -1.810 -12.035 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.947 -0.520 -11.312 1.00 0.00 H new ATOM 833 N ASN A 52 4.845 0.533 -12.380 1.00 0.00 N ATOM 834 CA ASN A 52 3.478 1.130 -12.294 1.00 0.00 C ATOM 835 C ASN A 52 3.145 1.883 -13.586 1.00 0.00 C ATOM 836 O ASN A 52 2.046 1.797 -14.094 1.00 0.00 O ATOM 837 CB ASN A 52 3.415 2.098 -11.108 1.00 0.00 C ATOM 838 CG ASN A 52 1.991 2.648 -10.966 1.00 0.00 C ATOM 839 OD1 ASN A 52 1.710 3.746 -11.405 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.074 1.936 -10.363 1.00 0.00 N ATOM 0 H ASN A 52 5.485 0.802 -11.632 1.00 0.00 H new ATOM 0 HA ASN A 52 2.752 0.329 -12.154 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.711 1.586 -10.192 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.119 2.917 -11.257 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.128 2.303 -10.263 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.305 1.014 -9.993 1.00 0.00 H new ATOM 847 N ILE A 53 4.076 2.623 -14.124 1.00 0.00 N ATOM 848 CA ILE A 53 3.792 3.370 -15.375 1.00 0.00 C ATOM 849 C ILE A 53 3.422 2.384 -16.487 1.00 0.00 C ATOM 850 O ILE A 53 2.466 2.580 -17.211 1.00 0.00 O ATOM 851 CB ILE A 53 5.037 4.155 -15.781 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.397 5.147 -14.671 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.752 4.917 -17.070 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.732 5.819 -14.997 1.00 0.00 C ATOM 0 H ILE A 53 5.018 2.740 -13.750 1.00 0.00 H new ATOM 0 HA ILE A 53 2.961 4.057 -15.213 1.00 0.00 H new ATOM 0 HB ILE A 53 5.869 3.468 -15.938 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.614 5.899 -14.573 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.463 4.629 -13.714 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.638 5.479 -17.364 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.491 4.212 -17.859 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.922 5.605 -16.910 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.987 6.525 -14.206 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.512 5.061 -15.072 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.650 6.351 -15.945 1.00 0.00 H new ATOM 866 N LYS A 54 4.170 1.324 -16.622 1.00 0.00 N ATOM 867 CA LYS A 54 3.862 0.321 -17.680 1.00 0.00 C ATOM 868 C LYS A 54 2.464 -0.251 -17.441 1.00 0.00 C ATOM 869 O LYS A 54 1.723 -0.515 -18.367 1.00 0.00 O ATOM 870 CB LYS A 54 4.892 -0.810 -17.625 1.00 0.00 C ATOM 871 CG LYS A 54 4.660 -1.770 -18.794 1.00 0.00 C ATOM 872 CD LYS A 54 5.647 -2.934 -18.702 1.00 0.00 C ATOM 873 CE LYS A 54 5.522 -3.810 -19.951 1.00 0.00 C ATOM 874 NZ LYS A 54 6.308 -5.062 -19.761 1.00 0.00 N ATOM 0 H LYS A 54 4.983 1.109 -16.044 1.00 0.00 H new ATOM 0 HA LYS A 54 3.900 0.798 -18.659 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.901 -0.400 -17.672 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.810 -1.345 -16.679 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.637 -2.145 -18.773 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.788 -1.245 -19.741 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.665 -2.555 -18.611 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.446 -3.525 -17.809 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.475 -4.050 -20.137 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.885 -3.269 -20.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.223 -5.657 -20.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.308 -4.824 -19.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.942 -5.580 -18.937 1.00 0.00 H new ATOM 888 N LYS A 55 2.103 -0.441 -16.202 1.00 0.00 N ATOM 889 CA LYS A 55 0.755 -0.992 -15.888 1.00 0.00 C ATOM 890 C LYS A 55 0.062 -0.087 -14.870 1.00 0.00 C ATOM 891 O LYS A 55 0.533 0.093 -13.765 1.00 0.00 O ATOM 892 CB LYS A 55 0.912 -2.397 -15.294 1.00 0.00 C ATOM 893 CG LYS A 55 -0.468 -2.997 -15.011 1.00 0.00 C ATOM 894 CD LYS A 55 -0.301 -4.387 -14.395 1.00 0.00 C ATOM 895 CE LYS A 55 -1.673 -5.051 -14.256 1.00 0.00 C ATOM 896 NZ LYS A 55 -2.671 -4.041 -13.805 1.00 0.00 N ATOM 0 H LYS A 55 2.686 -0.237 -15.390 1.00 0.00 H new ATOM 0 HA LYS A 55 0.157 -1.041 -16.798 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.461 -3.035 -15.986 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.494 -2.350 -14.374 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.025 -2.351 -14.333 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.044 -3.063 -15.934 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.349 -4.998 -15.021 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.178 -4.309 -13.419 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.980 -5.480 -15.210 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.621 -5.871 -13.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.485 -4.525 -13.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.233 -3.410 -13.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.992 -3.482 -14.621 1.00 0.00 H new ATOM 910 N ASN A 56 -1.057 0.480 -15.229 1.00 0.00 N ATOM 911 CA ASN A 56 -1.774 1.368 -14.274 1.00 0.00 C ATOM 912 C ASN A 56 -2.899 0.577 -13.613 1.00 0.00 C ATOM 913 O ASN A 56 -3.617 -0.159 -14.262 1.00 0.00 O ATOM 914 CB ASN A 56 -2.355 2.576 -15.009 1.00 0.00 C ATOM 915 CG ASN A 56 -2.886 3.575 -13.979 1.00 0.00 C ATOM 916 OD1 ASN A 56 -4.073 3.817 -13.905 1.00 0.00 O ATOM 917 ND2 ASN A 56 -2.045 4.163 -13.171 1.00 0.00 N ATOM 0 H ASN A 56 -1.504 0.367 -16.139 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.076 1.725 -13.517 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.590 3.044 -15.628 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.157 2.261 -15.677 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.385 4.827 -12.476 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.048 3.958 -13.235 1.00 0.00 H new ATOM 924 N VAL A 57 -3.047 0.708 -12.326 1.00 0.00 N ATOM 925 CA VAL A 57 -4.110 -0.050 -11.613 1.00 0.00 C ATOM 926 C VAL A 57 -4.908 0.887 -10.705 1.00 0.00 C ATOM 927 O VAL A 57 -4.379 1.828 -10.149 1.00 0.00 O ATOM 928 CB VAL A 57 -3.457 -1.135 -10.762 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.528 -0.478 -9.739 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.541 -1.929 -10.031 1.00 0.00 C ATOM 0 H VAL A 57 -2.475 1.310 -11.734 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.785 -0.497 -12.343 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.884 -1.808 -11.400 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.058 -1.248 -9.127 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.758 0.092 -10.260 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.105 0.191 -9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.076 -2.705 -9.423 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.113 -1.259 -9.389 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.208 -2.390 -10.759 1.00 0.00 H new ATOM 940 N LEU A 58 -6.176 0.623 -10.540 1.00 0.00 N ATOM 941 CA LEU A 58 -7.006 1.484 -9.654 1.00 0.00 C ATOM 942 C LEU A 58 -6.761 1.073 -8.206 1.00 0.00 C ATOM 943 O LEU A 58 -6.764 -0.097 -7.876 1.00 0.00 O ATOM 944 CB LEU A 58 -8.488 1.298 -9.997 1.00 0.00 C ATOM 945 CG LEU A 58 -9.344 2.162 -9.066 1.00 0.00 C ATOM 946 CD1 LEU A 58 -9.029 3.639 -9.300 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.823 1.906 -9.357 1.00 0.00 C ATOM 0 H LEU A 58 -6.672 -0.152 -10.981 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.737 2.531 -9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.669 1.576 -11.035 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.766 0.249 -9.894 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.124 1.906 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.640 4.251 -8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.974 3.823 -9.095 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.248 3.898 -10.336 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.435 2.519 -8.696 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.039 2.162 -10.394 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.050 0.853 -9.189 1.00 0.00 H new ATOM 959 N TRP A 59 -6.536 2.018 -7.339 1.00 0.00 N ATOM 960 CA TRP A 59 -6.280 1.664 -5.919 1.00 0.00 C ATOM 961 C TRP A 59 -7.570 1.787 -5.108 1.00 0.00 C ATOM 962 O TRP A 59 -8.226 2.809 -5.104 1.00 0.00 O ATOM 963 CB TRP A 59 -5.208 2.597 -5.355 1.00 0.00 C ATOM 964 CG TRP A 59 -3.903 2.267 -6.006 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.350 2.945 -7.037 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.987 1.182 -5.690 1.00 0.00 C ATOM 967 NE1 TRP A 59 -2.153 2.339 -7.377 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.886 1.249 -6.575 1.00 0.00 C ATOM 969 CE3 TRP A 59 -3.006 0.156 -4.731 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.839 0.328 -6.511 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.955 -0.771 -4.662 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.873 -0.686 -5.551 1.00 0.00 C ATOM 0 H TRP A 59 -6.518 3.015 -7.551 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.931 0.633 -5.856 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.473 3.637 -5.544 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -5.133 2.478 -4.274 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.773 3.816 -7.516 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.543 2.659 -8.129 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.835 0.080 -4.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.009 0.399 -7.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -1.979 -1.555 -3.920 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.068 -1.403 -5.493 1.00 0.00 H new ATOM 983 N ASP A 60 -7.927 0.736 -4.425 1.00 0.00 N ATOM 984 CA ASP A 60 -9.167 0.739 -3.601 1.00 0.00 C ATOM 985 C ASP A 60 -9.050 -0.367 -2.550 1.00 0.00 C ATOM 986 O ASP A 60 -8.090 -1.110 -2.531 1.00 0.00 O ATOM 987 CB ASP A 60 -10.381 0.474 -4.494 1.00 0.00 C ATOM 988 CG ASP A 60 -11.665 0.759 -3.711 1.00 0.00 C ATOM 989 OD1 ASP A 60 -11.559 1.242 -2.596 1.00 0.00 O ATOM 990 OD2 ASP A 60 -12.729 0.489 -4.240 1.00 0.00 O ATOM 0 H ASP A 60 -7.403 -0.139 -4.403 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.292 1.707 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.337 1.105 -5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.374 -0.561 -4.837 1.00 0.00 H new ATOM 995 N GLU A 61 -10.006 -0.490 -1.672 1.00 0.00 N ATOM 996 CA GLU A 61 -9.910 -1.556 -0.635 1.00 0.00 C ATOM 997 C GLU A 61 -9.724 -2.914 -1.317 1.00 0.00 C ATOM 998 O GLU A 61 -8.961 -3.745 -0.866 1.00 0.00 O ATOM 999 CB GLU A 61 -11.195 -1.581 0.192 1.00 0.00 C ATOM 1000 CG GLU A 61 -11.326 -0.278 0.980 1.00 0.00 C ATOM 1001 CD GLU A 61 -12.574 -0.341 1.862 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -13.359 -1.257 1.679 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -12.725 0.526 2.707 1.00 0.00 O ATOM 0 H GLU A 61 -10.841 0.094 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.060 -1.352 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.057 -1.710 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.183 -2.431 0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.440 -0.122 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.393 0.568 0.296 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.411 -3.144 -2.401 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.265 -4.447 -3.111 1.00 0.00 C ATOM 1012 C ASN A 62 -8.885 -4.535 -3.766 1.00 0.00 C ATOM 1013 O ASN A 62 -8.159 -5.492 -3.585 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.341 -4.554 -4.193 1.00 0.00 C ATOM 1015 CG ASN A 62 -11.242 -5.918 -4.876 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.722 -6.907 -4.358 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.627 -6.012 -6.023 1.00 0.00 N ATOM 0 H ASN A 62 -11.066 -2.488 -2.826 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.375 -5.260 -2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.330 -4.427 -3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.215 -3.758 -4.927 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.548 -6.917 -6.487 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.225 -5.180 -6.456 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.527 -3.545 -4.535 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.205 -3.564 -5.222 1.00 0.00 C ATOM 1026 C ASN A 63 -6.066 -3.565 -4.199 1.00 0.00 C ATOM 1027 O ASN A 63 -5.059 -4.220 -4.382 1.00 0.00 O ATOM 1028 CB ASN A 63 -7.086 -2.330 -6.115 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.837 -2.450 -6.987 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -5.781 -3.274 -7.879 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -4.825 -1.656 -6.766 1.00 0.00 N ATOM 0 H ASN A 63 -9.096 -2.719 -4.718 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.133 -4.470 -5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.972 -2.235 -6.742 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.030 -1.429 -5.503 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.986 -1.727 -7.342 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.873 -0.965 -6.017 1.00 0.00 H new ATOM 1038 N MET A 64 -6.206 -2.828 -3.133 1.00 0.00 N ATOM 1039 CA MET A 64 -5.116 -2.785 -2.116 1.00 0.00 C ATOM 1040 C MET A 64 -4.844 -4.190 -1.584 1.00 0.00 C ATOM 1041 O MET A 64 -3.710 -4.575 -1.376 1.00 0.00 O ATOM 1042 CB MET A 64 -5.536 -1.878 -0.958 1.00 0.00 C ATOM 1043 CG MET A 64 -5.533 -0.425 -1.426 1.00 0.00 C ATOM 1044 SD MET A 64 -3.837 0.202 -1.420 1.00 0.00 S ATOM 1045 CE MET A 64 -4.259 1.958 -1.502 1.00 0.00 C ATOM 0 H MET A 64 -7.023 -2.256 -2.921 1.00 0.00 H new ATOM 0 HA MET A 64 -4.210 -2.395 -2.580 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.529 -2.156 -0.605 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.853 -2.002 -0.118 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.956 -0.353 -2.428 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.159 0.181 -0.771 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.505 2.487 -2.085 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.233 2.076 -1.976 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.294 2.371 -0.494 1.00 0.00 H new ATOM 1055 N SER A 65 -5.869 -4.961 -1.355 1.00 0.00 N ATOM 1056 CA SER A 65 -5.650 -6.338 -0.831 1.00 0.00 C ATOM 1057 C SER A 65 -4.932 -7.184 -1.886 1.00 0.00 C ATOM 1058 O SER A 65 -4.084 -7.995 -1.571 1.00 0.00 O ATOM 1059 CB SER A 65 -6.995 -6.979 -0.493 1.00 0.00 C ATOM 1060 OG SER A 65 -7.745 -7.155 -1.687 1.00 0.00 O ATOM 0 H SER A 65 -6.843 -4.700 -1.507 1.00 0.00 H new ATOM 0 HA SER A 65 -5.037 -6.286 0.069 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.840 -7.940 -0.003 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.545 -6.349 0.206 1.00 0.00 H new ATOM 0 HG SER A 65 -7.893 -6.284 -2.112 1.00 0.00 H new ATOM 1066 N GLU A 66 -5.259 -7.000 -3.135 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.588 -7.794 -4.202 1.00 0.00 C ATOM 1068 C GLU A 66 -3.110 -7.408 -4.269 1.00 0.00 C ATOM 1069 O GLU A 66 -2.249 -8.233 -4.501 1.00 0.00 O ATOM 1070 CB GLU A 66 -5.254 -7.505 -5.549 1.00 0.00 C ATOM 1071 CG GLU A 66 -4.653 -8.415 -6.622 1.00 0.00 C ATOM 1072 CD GLU A 66 -5.076 -9.861 -6.361 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -6.103 -10.052 -5.728 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -4.368 -10.753 -6.797 1.00 0.00 O ATOM 0 H GLU A 66 -5.960 -6.336 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.676 -8.857 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.329 -7.670 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.109 -6.460 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.988 -8.100 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.566 -8.336 -6.614 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.814 -6.154 -4.071 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.396 -5.697 -4.125 1.00 0.00 C ATOM 1083 C HIS A 67 -0.575 -6.426 -3.061 1.00 0.00 C ATOM 1084 O HIS A 67 0.512 -6.896 -3.321 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.353 -4.190 -3.866 1.00 0.00 C ATOM 1086 CG HIS A 67 0.062 -3.689 -3.986 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.766 -3.746 -5.176 1.00 0.00 N ATOM 1088 CD2 HIS A 67 0.914 -3.110 -3.076 1.00 0.00 C ATOM 1089 CE1 HIS A 67 1.983 -3.220 -4.960 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.124 -2.817 -3.697 1.00 0.00 N ATOM 0 H HIS A 67 -3.496 -5.422 -3.873 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.976 -5.917 -5.106 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.993 -3.671 -4.579 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.742 -3.972 -2.871 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.422 -4.121 -6.060 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.680 -2.913 -2.040 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.751 -3.134 -5.715 1.00 0.00 H new ATOM 1099 N LEU A 68 -1.087 -6.514 -1.867 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.340 -7.204 -0.778 1.00 0.00 C ATOM 1101 C LEU A 68 -0.293 -8.714 -1.032 1.00 0.00 C ATOM 1102 O LEU A 68 0.672 -9.374 -0.712 1.00 0.00 O ATOM 1103 CB LEU A 68 -1.045 -6.941 0.553 1.00 0.00 C ATOM 1104 CG LEU A 68 -1.099 -5.437 0.821 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -1.799 -5.183 2.156 1.00 0.00 C ATOM 1106 CD2 LEU A 68 0.322 -4.876 0.881 1.00 0.00 C ATOM 0 H LEU A 68 -1.995 -6.136 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 68 0.680 -6.820 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.054 -7.352 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.516 -7.445 1.361 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.650 -4.947 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.838 -4.111 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.813 -5.582 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.246 -5.675 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.282 -3.804 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.874 -5.367 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.825 -5.057 -0.069 1.00 0.00 H new ATOM 1118 N THR A 69 -1.336 -9.274 -1.581 1.00 0.00 N ATOM 1119 CA THR A 69 -1.347 -10.749 -1.821 1.00 0.00 C ATOM 1120 C THR A 69 -0.219 -11.154 -2.774 1.00 0.00 C ATOM 1121 O THR A 69 0.405 -12.183 -2.603 1.00 0.00 O ATOM 1122 CB THR A 69 -2.691 -11.158 -2.426 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.744 -10.665 -1.608 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.772 -12.684 -2.499 1.00 0.00 C ATOM 0 H THR A 69 -2.178 -8.779 -1.873 1.00 0.00 H new ATOM 0 HA THR A 69 -1.197 -11.255 -0.867 1.00 0.00 H new ATOM 0 HB THR A 69 -2.783 -10.742 -3.429 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.944 -9.738 -1.856 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.729 -12.977 -2.930 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.962 -13.062 -3.123 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.682 -13.102 -1.496 1.00 0.00 H new ATOM 1132 N ASN A 70 0.045 -10.370 -3.780 1.00 0.00 N ATOM 1133 CA ASN A 70 1.124 -10.733 -4.742 1.00 0.00 C ATOM 1134 C ASN A 70 1.702 -9.463 -5.377 1.00 0.00 C ATOM 1135 O ASN A 70 1.528 -9.222 -6.556 1.00 0.00 O ATOM 1136 CB ASN A 70 0.538 -11.622 -5.841 1.00 0.00 C ATOM 1137 CG ASN A 70 0.554 -13.081 -5.382 1.00 0.00 C ATOM 1138 OD1 ASN A 70 1.605 -13.656 -5.182 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -0.577 -13.708 -5.203 1.00 0.00 N ATOM 0 H ASN A 70 -0.438 -9.494 -3.979 1.00 0.00 H new ATOM 0 HA ASN A 70 1.915 -11.265 -4.214 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.482 -11.313 -6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.116 -11.512 -6.759 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.578 -14.680 -4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.460 -13.225 -5.371 1.00 0.00 H new ATOM 1146 N PRO A 71 2.382 -8.651 -4.609 1.00 0.00 N ATOM 1147 CA PRO A 71 2.986 -7.386 -5.119 1.00 0.00 C ATOM 1148 C PRO A 71 4.037 -7.630 -6.208 1.00 0.00 C ATOM 1149 O PRO A 71 4.434 -6.723 -6.913 1.00 0.00 O ATOM 1150 CB PRO A 71 3.632 -6.745 -3.885 1.00 0.00 C ATOM 1151 CG PRO A 71 3.741 -7.827 -2.863 1.00 0.00 C ATOM 1152 CD PRO A 71 2.649 -8.848 -3.175 1.00 0.00 C ATOM 0 HA PRO A 71 2.232 -6.753 -5.588 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.614 -6.338 -4.127 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.026 -5.918 -3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.726 -8.293 -2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.615 -7.423 -1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.981 -9.865 -2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.756 -8.675 -2.574 1.00 0.00 H new ATOM 1160 N ALA A 72 4.499 -8.843 -6.347 1.00 0.00 N ATOM 1161 CA ALA A 72 5.532 -9.136 -7.385 1.00 0.00 C ATOM 1162 C ALA A 72 4.913 -9.062 -8.785 1.00 0.00 C ATOM 1163 O ALA A 72 5.076 -8.091 -9.496 1.00 0.00 O ATOM 1164 CB ALA A 72 6.099 -10.537 -7.155 1.00 0.00 C ATOM 0 H ALA A 72 4.207 -9.644 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 72 6.329 -8.397 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.853 -10.753 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.553 -10.588 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.296 -11.270 -7.224 1.00 0.00 H new ATOM 1170 N LYS A 73 4.211 -10.087 -9.190 1.00 0.00 N ATOM 1171 CA LYS A 73 3.590 -10.081 -10.548 1.00 0.00 C ATOM 1172 C LYS A 73 2.670 -8.867 -10.693 1.00 0.00 C ATOM 1173 O LYS A 73 2.545 -8.291 -11.755 1.00 0.00 O ATOM 1174 CB LYS A 73 2.775 -11.361 -10.740 1.00 0.00 C ATOM 1175 CG LYS A 73 2.246 -11.421 -12.174 1.00 0.00 C ATOM 1176 CD LYS A 73 1.378 -12.669 -12.348 1.00 0.00 C ATOM 1177 CE LYS A 73 0.979 -12.813 -13.817 1.00 0.00 C ATOM 1178 NZ LYS A 73 2.206 -12.892 -14.659 1.00 0.00 N ATOM 0 H LYS A 73 4.040 -10.929 -8.639 1.00 0.00 H new ATOM 0 HA LYS A 73 4.376 -10.029 -11.302 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.395 -12.233 -10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.945 -11.385 -10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.664 -10.527 -12.395 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.077 -11.443 -12.879 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.924 -13.553 -12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.487 -12.595 -11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.372 -13.708 -13.954 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.368 -11.964 -14.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.061 -13.586 -15.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.403 -11.959 -15.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.012 -13.186 -14.071 1.00 0.00 H new ATOM 1192 N TYR A 74 2.023 -8.478 -9.632 1.00 0.00 N ATOM 1193 CA TYR A 74 1.106 -7.306 -9.698 1.00 0.00 C ATOM 1194 C TYR A 74 1.865 -6.076 -10.209 1.00 0.00 C ATOM 1195 O TYR A 74 1.439 -5.418 -11.137 1.00 0.00 O ATOM 1196 CB TYR A 74 0.572 -7.051 -8.290 1.00 0.00 C ATOM 1197 CG TYR A 74 -0.322 -5.838 -8.268 1.00 0.00 C ATOM 1198 CD1 TYR A 74 -1.672 -5.941 -8.632 1.00 0.00 C ATOM 1199 CD2 TYR A 74 0.196 -4.613 -7.849 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -2.497 -4.810 -8.571 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -0.625 -3.488 -7.791 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.970 -3.584 -8.149 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.771 -2.466 -8.077 1.00 0.00 O ATOM 0 H TYR A 74 2.090 -8.923 -8.717 1.00 0.00 H new ATOM 0 HA TYR A 74 0.282 -7.504 -10.383 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.018 -7.923 -7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.404 -6.907 -7.601 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.075 -6.889 -8.958 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.236 -4.536 -7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.538 -4.884 -8.849 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.219 -2.541 -7.468 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.301 -1.758 -7.589 1.00 0.00 H new ATOM 1213 N ILE A 75 2.998 -5.772 -9.632 1.00 0.00 N ATOM 1214 CA ILE A 75 3.792 -4.598 -10.105 1.00 0.00 C ATOM 1215 C ILE A 75 5.282 -4.891 -9.901 1.00 0.00 C ATOM 1216 O ILE A 75 5.900 -4.410 -8.971 1.00 0.00 O ATOM 1217 CB ILE A 75 3.388 -3.331 -9.326 1.00 0.00 C ATOM 1218 CG1 ILE A 75 2.077 -2.779 -9.899 1.00 0.00 C ATOM 1219 CG2 ILE A 75 4.489 -2.266 -9.457 1.00 0.00 C ATOM 1220 CD1 ILE A 75 1.625 -1.559 -9.091 1.00 0.00 C ATOM 0 H ILE A 75 3.409 -6.286 -8.853 1.00 0.00 H new ATOM 0 HA ILE A 75 3.594 -4.426 -11.163 1.00 0.00 H new ATOM 0 HB ILE A 75 3.253 -3.583 -8.274 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.215 -2.502 -10.944 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.306 -3.549 -9.872 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.198 -1.372 -8.905 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.423 -2.656 -9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.628 -2.014 -10.508 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.693 -1.173 -9.505 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.468 -1.849 -8.052 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.391 -0.786 -9.140 1.00 0.00 H new ATOM 1232 N PRO A 76 5.850 -5.681 -10.768 1.00 0.00 N ATOM 1233 CA PRO A 76 7.286 -6.058 -10.707 1.00 0.00 C ATOM 1234 C PRO A 76 8.187 -5.048 -11.426 1.00 0.00 C ATOM 1235 O PRO A 76 7.772 -4.391 -12.360 1.00 0.00 O ATOM 1236 CB PRO A 76 7.314 -7.403 -11.428 1.00 0.00 C ATOM 1237 CG PRO A 76 6.196 -7.344 -12.423 1.00 0.00 C ATOM 1238 CD PRO A 76 5.181 -6.310 -11.913 1.00 0.00 C ATOM 0 HA PRO A 76 7.661 -6.091 -9.684 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.272 -7.564 -11.922 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.174 -8.227 -10.728 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.572 -7.060 -13.406 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.726 -8.322 -12.531 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.938 -5.578 -12.683 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.245 -6.784 -11.616 1.00 0.00 H new ATOM 1246 N GLY A 77 9.416 -4.927 -11.009 1.00 0.00 N ATOM 1247 CA GLY A 77 10.339 -3.968 -11.681 1.00 0.00 C ATOM 1248 C GLY A 77 10.450 -2.675 -10.866 1.00 0.00 C ATOM 1249 O GLY A 77 11.114 -1.740 -11.269 1.00 0.00 O ATOM 0 H GLY A 77 9.822 -5.450 -10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.324 -4.420 -11.794 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.974 -3.744 -12.683 1.00 0.00 H new ATOM 1253 N THR A 78 9.814 -2.611 -9.726 1.00 0.00 N ATOM 1254 CA THR A 78 9.900 -1.374 -8.895 1.00 0.00 C ATOM 1255 C THR A 78 10.833 -1.620 -7.705 1.00 0.00 C ATOM 1256 O THR A 78 11.320 -2.714 -7.501 1.00 0.00 O ATOM 1257 CB THR A 78 8.507 -0.985 -8.393 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.610 0.161 -7.560 1.00 0.00 O ATOM 1259 CG2 THR A 78 7.897 -2.140 -7.602 1.00 0.00 C ATOM 0 H THR A 78 9.241 -3.359 -9.335 1.00 0.00 H new ATOM 0 HA THR A 78 10.297 -0.560 -9.502 1.00 0.00 H new ATOM 0 HB THR A 78 7.867 -0.761 -9.246 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.719 0.413 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.906 -1.855 -7.248 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.815 -3.017 -8.244 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.534 -2.373 -6.749 1.00 0.00 H new ATOM 1267 N LYS A 79 11.104 -0.605 -6.932 1.00 0.00 N ATOM 1268 CA LYS A 79 12.026 -0.767 -5.770 1.00 0.00 C ATOM 1269 C LYS A 79 11.256 -1.233 -4.529 1.00 0.00 C ATOM 1270 O LYS A 79 11.779 -1.219 -3.431 1.00 0.00 O ATOM 1271 CB LYS A 79 12.702 0.573 -5.473 1.00 0.00 C ATOM 1272 CG LYS A 79 13.517 1.015 -6.690 1.00 0.00 C ATOM 1273 CD LYS A 79 14.330 2.262 -6.336 1.00 0.00 C ATOM 1274 CE LYS A 79 13.382 3.436 -6.077 1.00 0.00 C ATOM 1275 NZ LYS A 79 14.132 4.718 -6.204 1.00 0.00 N ATOM 0 H LYS A 79 10.725 0.334 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 79 12.775 -1.519 -6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.951 1.326 -5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.351 0.480 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.183 0.212 -7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.853 1.227 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.940 2.072 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.014 2.506 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.556 3.414 -6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.948 3.354 -5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.488 5.516 -6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.906 4.738 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.526 4.796 -7.163 1.00 0.00 H new ATOM 1289 N MET A 80 10.025 -1.641 -4.677 1.00 0.00 N ATOM 1290 CA MET A 80 9.256 -2.096 -3.482 1.00 0.00 C ATOM 1291 C MET A 80 9.822 -3.426 -2.983 1.00 0.00 C ATOM 1292 O MET A 80 9.862 -4.407 -3.700 1.00 0.00 O ATOM 1293 CB MET A 80 7.780 -2.280 -3.845 1.00 0.00 C ATOM 1294 CG MET A 80 7.165 -0.921 -4.183 1.00 0.00 C ATOM 1295 SD MET A 80 5.629 -0.699 -3.250 1.00 0.00 S ATOM 1296 CE MET A 80 4.492 -1.151 -4.582 1.00 0.00 C ATOM 0 H MET A 80 9.522 -1.679 -5.564 1.00 0.00 H new ATOM 0 HA MET A 80 9.342 -1.342 -2.699 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.685 -2.956 -4.695 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.244 -2.737 -3.013 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.867 -0.123 -3.942 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.965 -0.857 -5.253 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.492 -0.787 -4.346 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.830 -0.703 -5.516 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.468 -2.236 -4.688 1.00 0.00 H new ATOM 1306 N ALA A 81 10.258 -3.464 -1.753 1.00 0.00 N ATOM 1307 CA ALA A 81 10.818 -4.725 -1.193 1.00 0.00 C ATOM 1308 C ALA A 81 9.795 -5.345 -0.244 1.00 0.00 C ATOM 1309 O ALA A 81 10.136 -6.049 0.686 1.00 0.00 O ATOM 1310 CB ALA A 81 12.102 -4.414 -0.424 1.00 0.00 C ATOM 0 H ALA A 81 10.250 -2.672 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 81 11.041 -5.421 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.513 -5.336 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.829 -3.961 -1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.881 -3.722 0.389 1.00 0.00 H new ATOM 1316 N PHE A 82 8.539 -5.080 -0.469 1.00 0.00 N ATOM 1317 CA PHE A 82 7.483 -5.642 0.418 1.00 0.00 C ATOM 1318 C PHE A 82 7.091 -7.032 -0.086 1.00 0.00 C ATOM 1319 O PHE A 82 6.796 -7.221 -1.250 1.00 0.00 O ATOM 1320 CB PHE A 82 6.262 -4.720 0.381 1.00 0.00 C ATOM 1321 CG PHE A 82 5.259 -5.152 1.423 1.00 0.00 C ATOM 1322 CD1 PHE A 82 4.268 -6.084 1.098 1.00 0.00 C ATOM 1323 CD2 PHE A 82 5.313 -4.610 2.712 1.00 0.00 C ATOM 1324 CE1 PHE A 82 3.332 -6.475 2.062 1.00 0.00 C ATOM 1325 CE2 PHE A 82 4.377 -5.001 3.677 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.386 -5.934 3.351 1.00 0.00 C ATOM 0 H PHE A 82 8.197 -4.496 -1.232 1.00 0.00 H new ATOM 0 HA PHE A 82 7.854 -5.719 1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.568 -3.690 0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.806 -4.746 -0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.225 -6.502 0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.077 -3.889 2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 82 2.567 -7.195 1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.420 -4.583 4.672 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.663 -6.236 4.094 1.00 0.00 H new ATOM 1336 N GLY A 83 7.085 -8.007 0.782 1.00 0.00 N ATOM 1337 CA GLY A 83 6.713 -9.385 0.349 1.00 0.00 C ATOM 1338 C GLY A 83 5.198 -9.559 0.445 1.00 0.00 C ATOM 1339 O GLY A 83 4.485 -8.663 0.853 1.00 0.00 O ATOM 0 H GLY A 83 7.321 -7.910 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.045 -9.558 -0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.215 -10.122 0.976 1.00 0.00 H new ATOM 1343 N GLY A 84 4.696 -10.706 0.076 1.00 0.00 N ATOM 1344 CA GLY A 84 3.226 -10.928 0.152 1.00 0.00 C ATOM 1345 C GLY A 84 2.867 -11.497 1.527 1.00 0.00 C ATOM 1346 O GLY A 84 3.676 -12.126 2.178 1.00 0.00 O ATOM 0 H GLY A 84 5.239 -11.496 -0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.697 -9.990 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.910 -11.616 -0.632 1.00 0.00 H new ATOM 1350 N LEU A 85 1.658 -11.285 1.976 1.00 0.00 N ATOM 1351 CA LEU A 85 1.260 -11.817 3.310 1.00 0.00 C ATOM 1352 C LEU A 85 0.451 -13.103 3.123 1.00 0.00 C ATOM 1353 O LEU A 85 -0.572 -13.117 2.468 1.00 0.00 O ATOM 1354 CB LEU A 85 0.402 -10.779 4.038 1.00 0.00 C ATOM 1355 CG LEU A 85 1.163 -9.454 4.121 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.345 -8.447 4.930 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.512 -9.683 4.809 1.00 0.00 C ATOM 0 H LEU A 85 0.933 -10.769 1.478 1.00 0.00 H new ATOM 0 HA LEU A 85 2.153 -12.029 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.541 -10.636 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.156 -11.133 5.039 1.00 0.00 H new ATOM 0 HG LEU A 85 1.328 -9.066 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.886 -7.503 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.616 -8.284 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.181 -8.835 5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.055 -8.740 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.347 -10.071 5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.096 -10.402 4.234 1.00 0.00 H new ATOM 1369 N LYS A 86 0.903 -14.184 3.698 1.00 0.00 N ATOM 1370 CA LYS A 86 0.166 -15.471 3.557 1.00 0.00 C ATOM 1371 C LYS A 86 -1.194 -15.380 4.256 1.00 0.00 C ATOM 1372 O LYS A 86 -2.172 -15.937 3.800 1.00 0.00 O ATOM 1373 CB LYS A 86 0.986 -16.599 4.188 1.00 0.00 C ATOM 1374 CG LYS A 86 2.313 -16.743 3.442 1.00 0.00 C ATOM 1375 CD LYS A 86 3.030 -18.009 3.916 1.00 0.00 C ATOM 1376 CE LYS A 86 3.389 -17.872 5.398 1.00 0.00 C ATOM 1377 NZ LYS A 86 4.705 -18.523 5.654 1.00 0.00 N ATOM 0 H LYS A 86 1.753 -14.231 4.260 1.00 0.00 H new ATOM 0 HA LYS A 86 0.009 -15.676 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.170 -16.384 5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.429 -17.535 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.135 -16.794 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.939 -15.869 3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.391 -18.879 3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.932 -18.170 3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.432 -16.819 5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.617 -18.333 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.948 -18.430 6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.648 -19.531 5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.438 -18.063 5.077 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.266 -14.694 5.366 1.00 0.00 N ATOM 1392 CA LYS A 87 -2.565 -14.591 6.089 1.00 0.00 C ATOM 1393 C LYS A 87 -3.329 -13.348 5.635 1.00 0.00 C ATOM 1394 O LYS A 87 -2.807 -12.250 5.624 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.311 -14.507 7.594 1.00 0.00 C ATOM 1396 CG LYS A 87 -1.693 -15.817 8.083 1.00 0.00 C ATOM 1397 CD LYS A 87 -1.601 -15.793 9.607 1.00 0.00 C ATOM 1398 CE LYS A 87 -0.878 -17.049 10.098 1.00 0.00 C ATOM 1399 NZ LYS A 87 0.363 -17.250 9.298 1.00 0.00 N ATOM 0 H LYS A 87 -0.485 -14.203 5.801 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.161 -15.476 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.644 -13.674 7.815 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.246 -14.315 8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.299 -16.662 7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.702 -15.949 7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.066 -14.902 9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.600 -15.743 10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.631 -16.950 11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.530 -17.918 10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.049 -17.799 9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.133 -17.766 8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.774 -16.326 9.056 1.00 0.00 H new ATOM 1413 N GLU A 88 -4.567 -13.520 5.268 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.389 -12.362 4.817 1.00 0.00 C ATOM 1415 C GLU A 88 -5.806 -11.516 6.025 1.00 0.00 C ATOM 1416 O GLU A 88 -6.013 -10.324 5.915 1.00 0.00 O ATOM 1417 CB GLU A 88 -6.641 -12.876 4.101 1.00 0.00 C ATOM 1418 CG GLU A 88 -6.231 -13.613 2.823 1.00 0.00 C ATOM 1419 CD GLU A 88 -7.484 -14.068 2.074 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -8.561 -13.953 2.634 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -7.345 -14.525 0.952 1.00 0.00 O ATOM 0 H GLU A 88 -5.049 -14.419 5.261 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.800 -11.748 4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.199 -13.545 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.301 -12.044 3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.633 -12.959 2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.609 -14.473 3.070 1.00 0.00 H new ATOM 1428 N LYS A 89 -5.954 -12.124 7.171 1.00 0.00 N ATOM 1429 CA LYS A 89 -6.382 -11.352 8.374 1.00 0.00 C ATOM 1430 C LYS A 89 -5.428 -10.179 8.612 1.00 0.00 C ATOM 1431 O LYS A 89 -5.849 -9.051 8.777 1.00 0.00 O ATOM 1432 CB LYS A 89 -6.367 -12.272 9.597 1.00 0.00 C ATOM 1433 CG LYS A 89 -7.387 -13.395 9.406 1.00 0.00 C ATOM 1434 CD LYS A 89 -7.457 -14.243 10.677 1.00 0.00 C ATOM 1435 CE LYS A 89 -8.384 -15.438 10.445 1.00 0.00 C ATOM 1436 NZ LYS A 89 -7.943 -16.180 9.230 1.00 0.00 N ATOM 0 H LYS A 89 -5.798 -13.120 7.327 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.389 -10.967 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.371 -12.692 9.737 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.602 -11.702 10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.368 -12.975 9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.104 -14.017 8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.461 -14.590 10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.824 -13.641 11.508 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.369 -16.098 11.313 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.412 -15.096 10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.286 -17.160 9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.330 -15.719 8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.904 -16.179 9.181 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.149 -10.431 8.626 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.180 -9.323 8.844 1.00 0.00 C ATOM 1452 C ASP A 90 -3.276 -8.338 7.679 1.00 0.00 C ATOM 1453 O ASP A 90 -3.175 -7.140 7.850 1.00 0.00 O ATOM 1454 CB ASP A 90 -1.767 -9.897 8.916 1.00 0.00 C ATOM 1455 CG ASP A 90 -1.629 -10.764 10.169 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -2.506 -10.691 11.015 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -0.650 -11.485 10.264 1.00 0.00 O ATOM 0 H ASP A 90 -3.734 -11.354 8.496 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.409 -8.807 9.777 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.559 -10.491 8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.036 -9.089 8.938 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.464 -8.846 6.494 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.563 -7.964 5.298 1.00 0.00 C ATOM 1464 C ARG A 91 -4.718 -6.972 5.469 1.00 0.00 C ATOM 1465 O ARG A 91 -4.600 -5.805 5.149 1.00 0.00 O ATOM 1466 CB ARG A 91 -3.820 -8.838 4.069 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.791 -7.983 2.804 1.00 0.00 C ATOM 1468 CD ARG A 91 -4.182 -8.848 1.605 1.00 0.00 C ATOM 1469 NE ARG A 91 -3.240 -9.997 1.493 1.00 0.00 N ATOM 1470 CZ ARG A 91 -3.621 -11.102 0.912 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -4.827 -11.201 0.423 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -2.795 -12.107 0.816 1.00 0.00 N ATOM 0 H ARG A 91 -3.554 -9.843 6.301 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.635 -7.404 5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.065 -9.621 4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.787 -9.334 4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.479 -7.143 2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.796 -7.564 2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.203 -9.211 1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.158 -8.254 0.691 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.296 -9.920 1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.473 -10.415 0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.124 -12.065 -0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.851 -12.029 1.195 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.093 -12.970 0.362 1.00 0.00 H new ATOM 1486 N ASN A 92 -5.837 -7.427 5.966 1.00 0.00 N ATOM 1487 CA ASN A 92 -6.998 -6.511 6.148 1.00 0.00 C ATOM 1488 C ASN A 92 -6.640 -5.387 7.122 1.00 0.00 C ATOM 1489 O ASN A 92 -7.033 -4.252 6.943 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.179 -7.306 6.708 1.00 0.00 C ATOM 1491 CG ASN A 92 -8.710 -8.262 5.638 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -8.641 -9.466 5.795 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -9.247 -7.774 4.554 1.00 0.00 N ATOM 0 H ASN A 92 -5.996 -8.393 6.253 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.262 -6.074 5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.867 -7.867 7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.969 -6.626 7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.610 -8.402 3.837 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.304 -6.764 4.423 1.00 0.00 H new ATOM 1500 N ASP A 93 -5.908 -5.690 8.158 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.540 -4.644 9.143 1.00 0.00 C ATOM 1502 C ASP A 93 -4.679 -3.567 8.477 1.00 0.00 C ATOM 1503 O ASP A 93 -4.818 -2.393 8.754 1.00 0.00 O ATOM 1504 CB ASP A 93 -4.761 -5.297 10.280 1.00 0.00 C ATOM 1505 CG ASP A 93 -5.676 -6.262 11.035 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -6.880 -6.159 10.869 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.158 -7.089 11.766 1.00 0.00 O ATOM 0 H ASP A 93 -5.549 -6.623 8.363 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.443 -4.173 9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.898 -5.832 9.884 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.379 -4.534 10.959 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.781 -3.954 7.612 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.909 -2.942 6.950 1.00 0.00 C ATOM 1514 C LEU A 94 -3.769 -1.946 6.167 1.00 0.00 C ATOM 1515 O LEU A 94 -3.537 -0.754 6.199 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.942 -3.647 5.995 1.00 0.00 C ATOM 1517 CG LEU A 94 -0.977 -2.620 5.399 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.145 -1.989 6.516 1.00 0.00 C ATOM 1519 CD2 LEU A 94 -0.043 -3.315 4.409 1.00 0.00 C ATOM 0 H LEU A 94 -3.614 -4.922 7.336 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.343 -2.404 7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.386 -4.419 6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.497 -4.145 5.200 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.547 -1.845 4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.542 -1.258 6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.806 -1.494 7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.424 -2.765 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.645 -2.584 3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.524 -4.089 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.631 -3.768 3.610 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.759 -2.422 5.463 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.626 -1.495 4.685 1.00 0.00 C ATOM 1533 C ILE A 95 -6.418 -0.604 5.642 1.00 0.00 C ATOM 1534 O ILE A 95 -6.628 0.565 5.390 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.593 -2.305 3.825 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.800 -3.208 2.877 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -7.471 -1.354 3.009 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.760 -4.126 2.119 1.00 0.00 C ATOM 0 H ILE A 95 -5.004 -3.410 5.393 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.003 -0.871 4.044 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.224 -2.919 4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.229 -2.602 2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.082 -3.803 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.161 -1.933 2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.037 -0.712 3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.841 -0.739 2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.193 -4.768 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.311 -4.742 2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.461 -3.523 1.542 1.00 0.00 H new ATOM 1550 N THR A 96 -6.867 -1.153 6.738 1.00 0.00 N ATOM 1551 CA THR A 96 -7.654 -0.344 7.712 1.00 0.00 C ATOM 1552 C THR A 96 -6.809 0.822 8.232 1.00 0.00 C ATOM 1553 O THR A 96 -7.291 1.923 8.395 1.00 0.00 O ATOM 1554 CB THR A 96 -8.066 -1.229 8.891 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.710 -2.397 8.404 1.00 0.00 O ATOM 1556 CG2 THR A 96 -9.025 -0.459 9.798 1.00 0.00 C ATOM 0 H THR A 96 -6.723 -2.128 7.001 1.00 0.00 H new ATOM 0 HA THR A 96 -8.540 0.049 7.213 1.00 0.00 H new ATOM 0 HB THR A 96 -7.179 -1.512 9.458 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.037 -3.026 8.069 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.318 -1.090 10.637 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.531 0.437 10.173 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.912 -0.174 9.232 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.557 0.587 8.507 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.695 1.682 9.036 1.00 0.00 C ATOM 1566 C TYR A 97 -4.661 2.852 8.045 1.00 0.00 C ATOM 1567 O TYR A 97 -4.913 3.988 8.404 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.278 1.140 9.245 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.421 2.187 9.913 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.519 2.392 11.294 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.524 2.945 9.154 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.720 3.358 11.916 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.724 3.912 9.776 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.823 4.118 11.157 1.00 0.00 C ATOM 1575 OH TYR A 97 -0.034 5.072 11.770 1.00 0.00 O ATOM 0 H TYR A 97 -5.093 -0.314 8.389 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.099 2.039 9.983 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.311 0.239 9.858 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.842 0.858 8.287 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.211 1.805 11.879 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.448 2.785 8.089 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.796 3.517 12.982 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -0.031 4.498 9.190 1.00 0.00 H new ATOM 0 HH TYR A 97 0.533 5.508 11.100 1.00 0.00 H new ATOM 1585 N LEU A 98 -4.360 2.590 6.804 1.00 0.00 N ATOM 1586 CA LEU A 98 -4.320 3.693 5.804 1.00 0.00 C ATOM 1587 C LEU A 98 -5.739 4.164 5.489 1.00 0.00 C ATOM 1588 O LEU A 98 -5.980 5.337 5.276 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.649 3.194 4.519 1.00 0.00 C ATOM 1590 CG LEU A 98 -2.181 2.864 4.796 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.535 2.309 3.526 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -1.448 4.138 5.219 1.00 0.00 C ATOM 0 H LEU A 98 -4.141 1.663 6.440 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.750 4.527 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.166 2.309 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.720 3.955 3.742 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.118 2.122 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.489 2.074 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.059 1.404 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.596 3.053 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.401 3.907 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.511 4.877 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.908 4.540 6.122 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.675 3.256 5.443 1.00 0.00 N ATOM 1605 CA LYS A 99 -8.077 3.642 5.120 1.00 0.00 C ATOM 1606 C LYS A 99 -8.593 4.671 6.132 1.00 0.00 C ATOM 1607 O LYS A 99 -9.193 5.662 5.764 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.968 2.392 5.159 1.00 0.00 C ATOM 1609 CG LYS A 99 -10.395 2.737 4.708 1.00 0.00 C ATOM 1610 CD LYS A 99 -10.472 2.758 3.177 1.00 0.00 C ATOM 1611 CE LYS A 99 -11.903 3.084 2.745 1.00 0.00 C ATOM 1612 NZ LYS A 99 -12.169 2.478 1.411 1.00 0.00 N ATOM 0 H LYS A 99 -6.529 2.261 5.616 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.104 4.085 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.552 1.621 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.988 1.983 6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.098 2.004 5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.687 3.708 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.782 3.501 2.777 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.170 1.792 2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.612 2.700 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.044 4.164 2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.680 3.160 0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.267 2.229 0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.746 1.621 1.528 1.00 0.00 H new ATOM 1626 N LYS A 100 -8.373 4.455 7.401 1.00 0.00 N ATOM 1627 CA LYS A 100 -8.865 5.439 8.405 1.00 0.00 C ATOM 1628 C LYS A 100 -8.250 6.803 8.115 1.00 0.00 C ATOM 1629 O LYS A 100 -8.940 7.798 8.023 1.00 0.00 O ATOM 1630 CB LYS A 100 -8.458 4.989 9.808 1.00 0.00 C ATOM 1631 CG LYS A 100 -9.241 3.735 10.196 1.00 0.00 C ATOM 1632 CD LYS A 100 -8.869 3.332 11.623 1.00 0.00 C ATOM 1633 CE LYS A 100 -9.623 2.060 12.010 1.00 0.00 C ATOM 1634 NZ LYS A 100 -10.572 2.363 13.118 1.00 0.00 N ATOM 0 H LYS A 100 -7.879 3.648 7.782 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.951 5.504 8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.388 4.785 9.838 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.651 5.786 10.526 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.312 3.924 10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.015 2.923 9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.794 3.166 11.696 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.115 4.137 12.315 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.165 1.670 11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.919 1.288 12.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.085 1.498 13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.043 2.716 13.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.251 3.087 12.806 1.00 0.00 H new ATOM 1648 N ALA A 101 -6.954 6.841 7.961 1.00 0.00 N ATOM 1649 CA ALA A 101 -6.252 8.124 7.671 1.00 0.00 C ATOM 1650 C ALA A 101 -4.817 8.019 8.169 1.00 0.00 C ATOM 1651 O ALA A 101 -4.420 8.689 9.101 1.00 0.00 O ATOM 1652 CB ALA A 101 -6.941 9.276 8.393 1.00 0.00 C ATOM 0 H ALA A 101 -6.344 6.026 8.025 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.273 8.311 6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.419 10.207 8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.975 9.351 8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.923 9.095 9.468 1.00 0.00 H new