USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 822 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD NoAdj-H: B 40 HIS HD1 : B 40 HIS ND1 : B 150 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= 1.23 (180deg=1.16) USER MOD Single : A 3 TYR OH : rot -15:sc= -1.15! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc=-0.00604 X(o=-0.006,f=-0.006) USER MOD Single : A 13 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.053) USER MOD Single : A 15 MET CE :methyl -174:sc= -0.104 (180deg=-0.112) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -120:sc= 0.802 USER MOD Single : A 22 SER OG : rot 145:sc= 1.11 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 1.02 (180deg=0.933) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.00058 X(o=-0.00058,f=-0.45) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 163:sc= 0.592 (180deg=0.424) USER MOD Single : B 3 TYR OH : rot 30:sc= -3.24! USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 K(o=0,f=-3.5!) USER MOD Single : B 13 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.016) USER MOD Single : B 15 MET CE :methyl 160:sc= -0.145 (180deg=-1.07) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 100:sc= -0.642 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ -107:sc= 1.18 (180deg=0.144) USER MOD Single : B 46 THR OG1 : rot 85:sc= 1.22 USER MOD Single : B 48 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.931 -16.437 -5.159 1.00 0.00 N ATOM 2 CA MET A 1 2.828 -17.417 -5.305 1.00 0.00 C ATOM 3 C MET A 1 1.505 -16.806 -4.829 1.00 0.00 C ATOM 4 O MET A 1 1.514 -15.938 -3.957 1.00 0.00 O ATOM 5 CB MET A 1 3.167 -18.726 -4.562 1.00 0.00 C ATOM 6 CG MET A 1 2.274 -19.901 -4.977 1.00 0.00 C ATOM 7 SD MET A 1 2.792 -21.498 -4.290 1.00 0.00 S ATOM 8 CE MET A 1 1.600 -22.580 -5.124 1.00 0.00 C ATOM 0 H1 MET A 1 4.717 -16.703 -5.786 1.00 0.00 H new ATOM 0 H2 MET A 1 3.589 -15.489 -5.415 1.00 0.00 H new ATOM 0 H3 MET A 1 4.262 -16.431 -4.173 1.00 0.00 H new ATOM 0 HA MET A 1 2.709 -17.667 -6.359 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.209 -18.985 -4.751 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.068 -18.564 -3.489 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.251 -19.696 -4.662 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.264 -19.971 -6.065 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.770 -23.612 -4.819 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.587 -22.283 -4.852 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.725 -22.496 -6.203 1.00 0.00 H new ATOM 20 N ASP A 2 0.373 -17.259 -5.386 1.00 0.00 N ATOM 21 CA ASP A 2 -0.986 -16.701 -5.199 1.00 0.00 C ATOM 22 C ASP A 2 -1.174 -15.293 -5.816 1.00 0.00 C ATOM 23 O ASP A 2 -0.260 -14.735 -6.429 1.00 0.00 O ATOM 24 CB ASP A 2 -1.443 -16.779 -3.723 1.00 0.00 C ATOM 25 CG ASP A 2 -1.323 -18.194 -3.135 1.00 0.00 C ATOM 26 OD1 ASP A 2 -2.036 -19.107 -3.616 1.00 0.00 O ATOM 27 OD2 ASP A 2 -0.539 -18.395 -2.176 1.00 0.00 O ATOM 0 H ASP A 2 0.374 -18.065 -6.012 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.654 -17.344 -5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.845 -16.091 -3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.479 -16.447 -3.650 1.00 0.00 H new ATOM 32 N TYR A 3 -2.382 -14.728 -5.682 1.00 0.00 N ATOM 33 CA TYR A 3 -2.803 -13.461 -6.300 1.00 0.00 C ATOM 34 C TYR A 3 -2.996 -12.375 -5.226 1.00 0.00 C ATOM 35 O TYR A 3 -2.073 -11.602 -4.967 1.00 0.00 O ATOM 36 CB TYR A 3 -4.034 -13.730 -7.203 1.00 0.00 C ATOM 37 CG TYR A 3 -5.083 -12.632 -7.286 1.00 0.00 C ATOM 38 CD1 TYR A 3 -4.740 -11.349 -7.757 1.00 0.00 C ATOM 39 CD2 TYR A 3 -6.397 -12.883 -6.834 1.00 0.00 C ATOM 40 CE1 TYR A 3 -5.706 -10.325 -7.785 1.00 0.00 C ATOM 41 CE2 TYR A 3 -7.351 -11.849 -6.823 1.00 0.00 C ATOM 42 CZ TYR A 3 -7.009 -10.566 -7.296 1.00 0.00 C ATOM 43 OH TYR A 3 -7.930 -9.566 -7.261 1.00 0.00 O ATOM 0 H TYR A 3 -3.119 -15.155 -5.121 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.029 -13.059 -6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.676 -13.933 -8.212 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.522 -14.638 -6.849 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.734 -11.151 -8.097 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.670 -13.872 -6.496 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -5.450 -9.353 -8.181 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.347 -12.039 -6.451 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.480 -8.703 -7.376 1.00 0.00 H new ATOM 53 N LEU A 4 -4.146 -12.335 -4.542 1.00 0.00 N ATOM 54 CA LEU A 4 -4.500 -11.312 -3.567 1.00 0.00 C ATOM 55 C LEU A 4 -3.554 -11.286 -2.344 1.00 0.00 C ATOM 56 O LEU A 4 -3.333 -10.233 -1.752 1.00 0.00 O ATOM 57 CB LEU A 4 -5.992 -11.437 -3.216 1.00 0.00 C ATOM 58 CG LEU A 4 -6.596 -12.840 -3.041 1.00 0.00 C ATOM 59 CD1 LEU A 4 -6.069 -13.581 -1.814 1.00 0.00 C ATOM 60 CD2 LEU A 4 -8.113 -12.727 -2.922 1.00 0.00 C ATOM 0 H LEU A 4 -4.875 -13.039 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.352 -10.330 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.161 -10.887 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.558 -10.929 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.303 -13.414 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.538 -14.563 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.989 -13.699 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.304 -13.010 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.543 -13.721 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.365 -12.112 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.516 -12.268 -3.825 1.00 0.00 H new ATOM 72 N ARG A 5 -2.921 -12.414 -1.991 1.00 0.00 N ATOM 73 CA ARG A 5 -1.948 -12.493 -0.887 1.00 0.00 C ATOM 74 C ARG A 5 -0.617 -11.842 -1.258 1.00 0.00 C ATOM 75 O ARG A 5 -0.093 -11.060 -0.470 1.00 0.00 O ATOM 76 CB ARG A 5 -1.777 -13.968 -0.480 1.00 0.00 C ATOM 77 CG ARG A 5 -1.335 -14.114 0.981 1.00 0.00 C ATOM 78 CD ARG A 5 -1.142 -15.595 1.337 1.00 0.00 C ATOM 79 NE ARG A 5 -1.081 -15.801 2.799 1.00 0.00 N ATOM 80 CZ ARG A 5 -2.089 -16.099 3.604 1.00 0.00 C ATOM 81 NH1 ARG A 5 -3.312 -16.238 3.173 1.00 0.00 N ATOM 82 NH2 ARG A 5 -1.886 -16.266 4.879 1.00 0.00 N ATOM 0 H ARG A 5 -3.069 -13.305 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 5 -2.326 -11.932 -0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.719 -14.496 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.041 -14.440 -1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.404 -13.571 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -2.081 -13.670 1.639 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.963 -16.179 0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.224 -15.963 0.879 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.164 -15.703 3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.520 -16.117 2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.060 -16.468 3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.946 -16.167 5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.667 -16.495 5.494 1.00 0.00 H new ATOM 96 N GLU A 6 -0.106 -12.072 -2.471 1.00 0.00 N ATOM 97 CA GLU A 6 0.972 -11.288 -3.042 1.00 0.00 C ATOM 98 C GLU A 6 0.612 -9.807 -3.160 1.00 0.00 C ATOM 99 O GLU A 6 1.444 -8.981 -2.801 1.00 0.00 O ATOM 100 CB GLU A 6 1.354 -11.873 -4.411 1.00 0.00 C ATOM 101 CG GLU A 6 2.699 -12.593 -4.317 1.00 0.00 C ATOM 102 CD GLU A 6 3.395 -12.749 -5.683 1.00 0.00 C ATOM 103 OE1 GLU A 6 3.936 -11.750 -6.218 1.00 0.00 O ATOM 104 OE2 GLU A 6 3.464 -13.892 -6.197 1.00 0.00 O ATOM 0 H GLU A 6 -0.438 -12.817 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 6 1.828 -11.344 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.584 -12.567 -4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.410 -11.076 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.354 -12.041 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.547 -13.579 -3.878 1.00 0.00 H new ATOM 111 N LEU A 7 -0.614 -9.445 -3.566 1.00 0.00 N ATOM 112 CA LEU A 7 -1.040 -8.043 -3.558 1.00 0.00 C ATOM 113 C LEU A 7 -0.912 -7.422 -2.168 1.00 0.00 C ATOM 114 O LEU A 7 -0.261 -6.393 -2.028 1.00 0.00 O ATOM 115 CB LEU A 7 -2.480 -7.876 -4.052 1.00 0.00 C ATOM 116 CG LEU A 7 -2.783 -8.182 -5.521 1.00 0.00 C ATOM 117 CD1 LEU A 7 -4.269 -7.930 -5.772 1.00 0.00 C ATOM 118 CD2 LEU A 7 -1.966 -7.284 -6.434 1.00 0.00 C ATOM 0 H LEU A 7 -1.321 -10.100 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.372 -7.522 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.117 -8.515 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.781 -6.847 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.526 -9.220 -5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.503 -8.143 -6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.862 -8.578 -5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.503 -6.888 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.196 -7.517 -7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.211 -6.241 -6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.904 -7.449 -6.251 1.00 0.00 H new ATOM 130 N TYR A 8 -1.463 -8.052 -1.130 1.00 0.00 N ATOM 131 CA TYR A 8 -1.301 -7.604 0.258 1.00 0.00 C ATOM 132 C TYR A 8 0.166 -7.387 0.631 1.00 0.00 C ATOM 133 O TYR A 8 0.568 -6.309 1.073 1.00 0.00 O ATOM 134 CB TYR A 8 -1.953 -8.634 1.187 1.00 0.00 C ATOM 135 CG TYR A 8 -2.387 -8.058 2.525 1.00 0.00 C ATOM 136 CD1 TYR A 8 -1.431 -7.787 3.525 1.00 0.00 C ATOM 137 CD2 TYR A 8 -3.743 -7.758 2.758 1.00 0.00 C ATOM 138 CE1 TYR A 8 -1.826 -7.203 4.744 1.00 0.00 C ATOM 139 CE2 TYR A 8 -4.143 -7.171 3.973 1.00 0.00 C ATOM 140 CZ TYR A 8 -3.185 -6.887 4.969 1.00 0.00 C ATOM 141 OH TYR A 8 -3.576 -6.314 6.141 1.00 0.00 O ATOM 0 H TYR A 8 -2.036 -8.890 -1.226 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.791 -6.637 0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.821 -9.064 0.687 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.251 -9.449 1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.392 -8.028 3.356 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.480 -7.980 2.000 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.090 -6.997 5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.184 -6.938 4.143 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.544 -6.164 6.125 1.00 0.00 H new ATOM 151 N LYS A 9 0.971 -8.415 0.362 1.00 0.00 N ATOM 152 CA LYS A 9 2.429 -8.452 0.588 1.00 0.00 C ATOM 153 C LYS A 9 3.264 -7.552 -0.346 1.00 0.00 C ATOM 154 O LYS A 9 4.485 -7.502 -0.206 1.00 0.00 O ATOM 155 CB LYS A 9 2.901 -9.917 0.583 1.00 0.00 C ATOM 156 CG LYS A 9 2.294 -10.710 1.759 1.00 0.00 C ATOM 157 CD LYS A 9 2.553 -12.221 1.661 1.00 0.00 C ATOM 158 CE LYS A 9 4.031 -12.623 1.792 1.00 0.00 C ATOM 159 NZ LYS A 9 4.564 -12.388 3.162 1.00 0.00 N ATOM 0 H LYS A 9 0.617 -9.285 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 9 2.609 -8.010 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.619 -10.388 -0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.989 -9.950 0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.709 -10.336 2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.219 -10.533 1.793 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.982 -12.726 2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.175 -12.581 0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.142 -13.677 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.624 -12.058 1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.563 -12.674 3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.484 -11.378 3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.018 -12.947 3.848 1.00 0.00 H new ATOM 173 N LEU A 10 2.616 -6.789 -1.227 1.00 0.00 N ATOM 174 CA LEU A 10 3.202 -5.713 -2.041 1.00 0.00 C ATOM 175 C LEU A 10 2.645 -4.335 -1.636 1.00 0.00 C ATOM 176 O LEU A 10 3.411 -3.380 -1.527 1.00 0.00 O ATOM 177 CB LEU A 10 2.922 -5.982 -3.534 1.00 0.00 C ATOM 178 CG LEU A 10 3.669 -7.184 -4.147 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.051 -7.522 -5.504 1.00 0.00 C ATOM 180 CD2 LEU A 10 5.153 -6.900 -4.357 1.00 0.00 C ATOM 0 H LEU A 10 1.618 -6.907 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 10 4.278 -5.700 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.851 -6.140 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.182 -5.088 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 10 3.575 -8.014 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.576 -8.371 -5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.999 -7.774 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.137 -6.661 -6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.634 -7.777 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.269 -6.052 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.618 -6.668 -3.399 1.00 0.00 H new ATOM 192 N GLU A 11 1.341 -4.223 -1.358 1.00 0.00 N ATOM 193 CA GLU A 11 0.676 -2.962 -1.005 1.00 0.00 C ATOM 194 C GLU A 11 1.122 -2.466 0.382 1.00 0.00 C ATOM 195 O GLU A 11 1.469 -1.293 0.525 1.00 0.00 O ATOM 196 CB GLU A 11 -0.856 -3.146 -1.056 1.00 0.00 C ATOM 197 CG GLU A 11 -1.435 -3.425 -2.461 1.00 0.00 C ATOM 198 CD GLU A 11 -1.771 -2.158 -3.258 1.00 0.00 C ATOM 199 OE1 GLU A 11 -2.844 -1.530 -3.207 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.052 -1.605 -4.109 1.00 0.00 O ATOM 0 H GLU A 11 0.706 -5.021 -1.372 1.00 0.00 H new ATOM 0 HA GLU A 11 0.965 -2.203 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.130 -3.970 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.328 -2.248 -0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.718 -4.019 -3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.337 -4.028 -2.358 1.00 0.00 H new ATOM 207 N GLN A 12 1.204 -3.343 1.394 1.00 0.00 N ATOM 208 CA GLN A 12 1.750 -3.005 2.713 1.00 0.00 C ATOM 209 C GLN A 12 3.271 -2.766 2.691 1.00 0.00 C ATOM 210 O GLN A 12 3.770 -1.882 3.390 1.00 0.00 O ATOM 211 CB GLN A 12 1.382 -4.119 3.707 1.00 0.00 C ATOM 212 CG GLN A 12 0.402 -3.612 4.766 1.00 0.00 C ATOM 213 CD GLN A 12 1.038 -2.658 5.779 1.00 0.00 C ATOM 214 OE1 GLN A 12 2.033 -2.958 6.426 1.00 0.00 O ATOM 215 NE2 GLN A 12 0.493 -1.473 5.965 1.00 0.00 N ATOM 0 H GLN A 12 0.891 -4.311 1.318 1.00 0.00 H new ATOM 0 HA GLN A 12 1.306 -2.061 3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.940 -4.958 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.285 -4.491 4.191 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.425 -3.104 4.270 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.020 -4.465 5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.336 -1.204 5.436 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.900 -0.824 6.638 1.00 0.00 H new ATOM 224 N GLN A 13 4.008 -3.502 1.851 1.00 0.00 N ATOM 225 CA GLN A 13 5.441 -3.287 1.623 1.00 0.00 C ATOM 226 C GLN A 13 5.719 -1.884 1.062 1.00 0.00 C ATOM 227 O GLN A 13 6.605 -1.178 1.548 1.00 0.00 O ATOM 228 CB GLN A 13 5.991 -4.385 0.711 1.00 0.00 C ATOM 229 CG GLN A 13 6.918 -5.373 1.432 1.00 0.00 C ATOM 230 CD GLN A 13 8.251 -4.743 1.839 1.00 0.00 C ATOM 231 OE1 GLN A 13 8.430 -4.258 2.949 1.00 0.00 O ATOM 232 NE2 GLN A 13 9.236 -4.724 0.965 1.00 0.00 N ATOM 0 H GLN A 13 3.622 -4.272 1.305 1.00 0.00 H new ATOM 0 HA GLN A 13 5.959 -3.345 2.580 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.157 -4.934 0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.535 -3.923 -0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.415 -5.754 2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.108 -6.227 0.782 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.102 -5.124 0.036 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.133 -4.309 1.217 1.00 0.00 H new ATOM 241 N ALA A 14 4.914 -1.449 0.086 1.00 0.00 N ATOM 242 CA ALA A 14 4.965 -0.094 -0.452 1.00 0.00 C ATOM 243 C ALA A 14 4.523 0.946 0.591 1.00 0.00 C ATOM 244 O ALA A 14 5.195 1.962 0.760 1.00 0.00 O ATOM 245 CB ALA A 14 4.107 -0.045 -1.721 1.00 0.00 C ATOM 0 H ALA A 14 4.205 -2.036 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 14 5.993 0.163 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.132 0.961 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.499 -0.752 -2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.079 -0.310 -1.475 1.00 0.00 H new ATOM 251 N MET A 15 3.445 0.686 1.344 1.00 0.00 N ATOM 252 CA MET A 15 2.929 1.583 2.391 1.00 0.00 C ATOM 253 C MET A 15 3.989 1.990 3.425 1.00 0.00 C ATOM 254 O MET A 15 4.050 3.155 3.821 1.00 0.00 O ATOM 255 CB MET A 15 1.709 0.941 3.070 1.00 0.00 C ATOM 256 CG MET A 15 1.026 1.873 4.083 1.00 0.00 C ATOM 257 SD MET A 15 -0.772 1.998 3.900 1.00 0.00 S ATOM 258 CE MET A 15 -0.807 2.992 2.385 1.00 0.00 C ATOM 0 H MET A 15 2.897 -0.168 1.242 1.00 0.00 H new ATOM 0 HA MET A 15 2.629 2.509 1.900 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.987 0.651 2.307 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.021 0.028 3.577 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.252 1.522 5.090 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.458 2.869 3.989 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.835 3.273 2.158 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.208 3.892 2.526 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.398 2.410 1.559 1.00 0.00 H new ATOM 268 N LYS A 16 4.867 1.061 3.821 1.00 0.00 N ATOM 269 CA LYS A 16 5.966 1.330 4.758 1.00 0.00 C ATOM 270 C LYS A 16 6.984 2.348 4.232 1.00 0.00 C ATOM 271 O LYS A 16 7.419 3.217 4.982 1.00 0.00 O ATOM 272 CB LYS A 16 6.626 -0.002 5.124 1.00 0.00 C ATOM 273 CG LYS A 16 7.600 0.156 6.307 1.00 0.00 C ATOM 274 CD LYS A 16 7.870 -1.157 7.055 1.00 0.00 C ATOM 275 CE LYS A 16 6.649 -1.583 7.887 1.00 0.00 C ATOM 276 NZ LYS A 16 6.940 -2.776 8.724 1.00 0.00 N ATOM 0 H LYS A 16 4.835 0.094 3.498 1.00 0.00 H new ATOM 0 HA LYS A 16 5.549 1.798 5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.858 -0.732 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.163 -0.393 4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.545 0.557 5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.195 0.887 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.118 -1.942 6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.734 -1.036 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.339 -0.757 8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.814 -1.801 7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.093 -3.032 9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.211 -3.572 8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.720 -2.560 9.377 1.00 0.00 H new ATOM 290 N LEU A 17 7.319 2.301 2.940 1.00 0.00 N ATOM 291 CA LEU A 17 8.151 3.299 2.273 1.00 0.00 C ATOM 292 C LEU A 17 7.394 4.613 2.109 1.00 0.00 C ATOM 293 O LEU A 17 7.931 5.686 2.369 1.00 0.00 O ATOM 294 CB LEU A 17 8.548 2.758 0.893 1.00 0.00 C ATOM 295 CG LEU A 17 9.416 1.501 0.975 1.00 0.00 C ATOM 296 CD1 LEU A 17 9.497 0.815 -0.389 1.00 0.00 C ATOM 297 CD2 LEU A 17 10.838 1.799 1.454 1.00 0.00 C ATOM 0 H LEU A 17 7.012 1.553 2.319 1.00 0.00 H new ATOM 0 HA LEU A 17 9.038 3.491 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.646 2.535 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.088 3.531 0.346 1.00 0.00 H new ATOM 0 HG LEU A 17 8.938 0.847 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.118 -0.077 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.496 0.533 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.935 1.500 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.410 0.872 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.317 2.492 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.801 2.246 2.448 1.00 0.00 H new ATOM 309 N TYR A 18 6.118 4.510 1.751 1.00 0.00 N ATOM 310 CA TYR A 18 5.217 5.636 1.502 1.00 0.00 C ATOM 311 C TYR A 18 4.874 6.467 2.755 1.00 0.00 C ATOM 312 O TYR A 18 4.300 7.551 2.623 1.00 0.00 O ATOM 313 CB TYR A 18 3.949 5.120 0.802 1.00 0.00 C ATOM 314 CG TYR A 18 4.019 4.969 -0.713 1.00 0.00 C ATOM 315 CD1 TYR A 18 4.514 6.020 -1.512 1.00 0.00 C ATOM 316 CD2 TYR A 18 3.537 3.798 -1.334 1.00 0.00 C ATOM 317 CE1 TYR A 18 4.596 5.876 -2.911 1.00 0.00 C ATOM 318 CE2 TYR A 18 3.605 3.656 -2.734 1.00 0.00 C ATOM 319 CZ TYR A 18 4.155 4.686 -3.525 1.00 0.00 C ATOM 320 OH TYR A 18 4.254 4.526 -4.871 1.00 0.00 O ATOM 0 H TYR A 18 5.663 3.606 1.621 1.00 0.00 H new ATOM 0 HA TYR A 18 5.748 6.333 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.695 4.150 1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.129 5.798 1.039 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.833 6.942 -1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.114 3.006 -0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.997 6.678 -3.513 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.235 2.756 -3.203 1.00 0.00 H new ATOM 0 HH TYR A 18 3.362 4.383 -5.250 1.00 0.00 H new ATOM 330 N ARG A 19 5.274 6.027 3.958 1.00 0.00 N ATOM 331 CA ARG A 19 5.243 6.831 5.191 1.00 0.00 C ATOM 332 C ARG A 19 6.620 7.321 5.664 1.00 0.00 C ATOM 333 O ARG A 19 6.681 8.111 6.604 1.00 0.00 O ATOM 334 CB ARG A 19 4.488 6.069 6.296 1.00 0.00 C ATOM 335 CG ARG A 19 5.269 4.885 6.891 1.00 0.00 C ATOM 336 CD ARG A 19 4.613 4.365 8.175 1.00 0.00 C ATOM 337 NE ARG A 19 5.532 3.470 8.907 1.00 0.00 N ATOM 338 CZ ARG A 19 5.420 3.085 10.167 1.00 0.00 C ATOM 339 NH1 ARG A 19 4.383 3.387 10.897 1.00 0.00 N ATOM 340 NH2 ARG A 19 6.364 2.383 10.726 1.00 0.00 N ATOM 0 H ARG A 19 5.635 5.084 4.104 1.00 0.00 H new ATOM 0 HA ARG A 19 4.701 7.746 4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.239 6.765 7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.546 5.701 5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.325 4.080 6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.293 5.194 7.104 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.332 5.204 8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.696 3.830 7.929 1.00 0.00 H new ATOM 0 HE ARG A 19 6.334 3.113 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.623 3.938 10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.332 3.072 11.866 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.194 2.128 10.191 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.273 2.088 11.698 1.00 0.00 H new ATOM 354 N GLU A 20 7.717 6.879 5.039 1.00 0.00 N ATOM 355 CA GLU A 20 9.087 7.102 5.539 1.00 0.00 C ATOM 356 C GLU A 20 9.943 7.903 4.557 1.00 0.00 C ATOM 357 O GLU A 20 10.535 8.925 4.909 1.00 0.00 O ATOM 358 CB GLU A 20 9.728 5.729 5.788 1.00 0.00 C ATOM 359 CG GLU A 20 10.831 5.788 6.849 1.00 0.00 C ATOM 360 CD GLU A 20 11.362 4.379 7.179 1.00 0.00 C ATOM 361 OE1 GLU A 20 12.314 3.912 6.507 1.00 0.00 O ATOM 362 OE2 GLU A 20 10.841 3.737 8.124 1.00 0.00 O ATOM 0 H GLU A 20 7.684 6.353 4.166 1.00 0.00 H new ATOM 0 HA GLU A 20 9.033 7.687 6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.960 5.023 6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.144 5.350 4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.649 6.414 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.444 6.255 7.755 1.00 0.00 H new ATOM 369 N ALA A 21 9.933 7.475 3.296 1.00 0.00 N ATOM 370 CA ALA A 21 10.508 8.214 2.171 1.00 0.00 C ATOM 371 C ALA A 21 9.869 9.605 2.009 1.00 0.00 C ATOM 372 O ALA A 21 10.557 10.574 1.697 1.00 0.00 O ATOM 373 CB ALA A 21 10.363 7.376 0.895 1.00 0.00 C ATOM 0 H ALA A 21 9.516 6.586 3.021 1.00 0.00 H new ATOM 0 HA ALA A 21 11.566 8.387 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.789 7.920 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.889 6.430 1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.307 7.182 0.705 1.00 0.00 H new ATOM 379 N SER A 22 8.573 9.736 2.303 1.00 0.00 N ATOM 380 CA SER A 22 7.806 10.957 2.331 1.00 0.00 C ATOM 381 C SER A 22 8.345 12.011 3.301 1.00 0.00 C ATOM 382 O SER A 22 8.407 13.186 2.948 1.00 0.00 O ATOM 383 CB SER A 22 6.421 10.482 2.744 1.00 0.00 C ATOM 384 OG SER A 22 5.866 9.675 1.722 1.00 0.00 O ATOM 0 H SER A 22 8.003 8.925 2.543 1.00 0.00 H new ATOM 0 HA SER A 22 7.835 11.468 1.369 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.483 9.916 3.674 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.775 11.339 2.935 1.00 0.00 H new ATOM 0 HG SER A 22 5.322 8.966 2.124 1.00 0.00 H new ATOM 390 N GLU A 23 8.806 11.611 4.490 1.00 0.00 N ATOM 391 CA GLU A 23 9.489 12.516 5.432 1.00 0.00 C ATOM 392 C GLU A 23 10.898 12.912 4.953 1.00 0.00 C ATOM 393 O GLU A 23 11.364 14.018 5.242 1.00 0.00 O ATOM 394 CB GLU A 23 9.601 11.870 6.822 1.00 0.00 C ATOM 395 CG GLU A 23 8.241 11.567 7.462 1.00 0.00 C ATOM 396 CD GLU A 23 8.400 11.138 8.936 1.00 0.00 C ATOM 397 OE1 GLU A 23 9.169 10.188 9.224 1.00 0.00 O ATOM 398 OE2 GLU A 23 7.762 11.758 9.823 1.00 0.00 O ATOM 0 H GLU A 23 8.719 10.653 4.830 1.00 0.00 H new ATOM 0 HA GLU A 23 8.880 13.418 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.170 10.944 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.164 12.533 7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.604 12.450 7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.741 10.776 6.902 1.00 0.00 H new ATOM 405 N ARG A 24 11.577 12.024 4.213 1.00 0.00 N ATOM 406 CA ARG A 24 12.933 12.244 3.677 1.00 0.00 C ATOM 407 C ARG A 24 12.965 13.127 2.419 1.00 0.00 C ATOM 408 O ARG A 24 13.958 13.818 2.190 1.00 0.00 O ATOM 409 CB ARG A 24 13.594 10.880 3.388 1.00 0.00 C ATOM 410 CG ARG A 24 15.092 10.847 3.743 1.00 0.00 C ATOM 411 CD ARG A 24 15.376 10.368 5.177 1.00 0.00 C ATOM 412 NE ARG A 24 14.781 11.238 6.215 1.00 0.00 N ATOM 413 CZ ARG A 24 13.722 10.990 6.971 1.00 0.00 C ATOM 414 NH1 ARG A 24 13.004 9.910 6.848 1.00 0.00 N ATOM 415 NH2 ARG A 24 13.356 11.842 7.885 1.00 0.00 N ATOM 0 H ARG A 24 11.193 11.113 3.964 1.00 0.00 H new ATOM 0 HA ARG A 24 13.491 12.788 4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.076 10.105 3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.472 10.640 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.608 10.192 3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.509 11.846 3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.990 9.356 5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.454 10.319 5.329 1.00 0.00 H new ATOM 0 HE ARG A 24 15.241 12.136 6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.249 9.212 6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.197 9.763 7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.885 12.703 8.020 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.540 11.648 8.466 1.00 0.00 H new ATOM 429 N VAL A 25 11.895 13.111 1.614 1.00 0.00 N ATOM 430 CA VAL A 25 11.834 13.737 0.275 1.00 0.00 C ATOM 431 C VAL A 25 10.847 14.915 0.218 1.00 0.00 C ATOM 432 O VAL A 25 11.125 15.914 -0.449 1.00 0.00 O ATOM 433 CB VAL A 25 11.504 12.673 -0.795 1.00 0.00 C ATOM 434 CG1 VAL A 25 11.402 13.248 -2.212 1.00 0.00 C ATOM 435 CG2 VAL A 25 12.569 11.567 -0.843 1.00 0.00 C ATOM 0 H VAL A 25 11.023 12.652 1.877 1.00 0.00 H new ATOM 0 HA VAL A 25 12.818 14.155 0.063 1.00 0.00 H new ATOM 0 HB VAL A 25 10.535 12.276 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.168 12.447 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.613 14.000 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.352 13.706 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.302 10.838 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.538 12.005 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.624 11.073 0.127 1.00 0.00 H new ATOM 445 N GLY A 26 9.725 14.849 0.942 1.00 0.00 N ATOM 446 CA GLY A 26 8.766 15.954 1.099 1.00 0.00 C ATOM 447 C GLY A 26 7.887 16.280 -0.122 1.00 0.00 C ATOM 448 O GLY A 26 7.187 17.293 -0.105 1.00 0.00 O ATOM 0 H GLY A 26 9.449 14.007 1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.111 15.720 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.322 16.852 1.369 1.00 0.00 H new ATOM 452 N ASP A 27 7.912 15.467 -1.185 1.00 0.00 N ATOM 453 CA ASP A 27 7.105 15.688 -2.398 1.00 0.00 C ATOM 454 C ASP A 27 5.584 15.590 -2.118 1.00 0.00 C ATOM 455 O ASP A 27 5.142 14.640 -1.461 1.00 0.00 O ATOM 456 CB ASP A 27 7.518 14.695 -3.503 1.00 0.00 C ATOM 457 CG ASP A 27 8.326 15.397 -4.607 1.00 0.00 C ATOM 458 OD1 ASP A 27 7.703 16.027 -5.492 1.00 0.00 O ATOM 459 OD2 ASP A 27 9.577 15.336 -4.583 1.00 0.00 O ATOM 0 H ASP A 27 8.495 14.631 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 27 7.302 16.705 -2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.112 13.891 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.628 14.237 -3.935 1.00 0.00 H new ATOM 464 N PRO A 28 4.752 16.519 -2.632 1.00 0.00 N ATOM 465 CA PRO A 28 3.320 16.533 -2.333 1.00 0.00 C ATOM 466 C PRO A 28 2.553 15.385 -3.003 1.00 0.00 C ATOM 467 O PRO A 28 1.675 14.800 -2.371 1.00 0.00 O ATOM 468 CB PRO A 28 2.818 17.909 -2.782 1.00 0.00 C ATOM 469 CG PRO A 28 3.801 18.315 -3.881 1.00 0.00 C ATOM 470 CD PRO A 28 5.116 17.689 -3.420 1.00 0.00 C ATOM 0 HA PRO A 28 3.148 16.373 -1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.796 17.859 -3.158 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.820 18.624 -1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.494 17.936 -4.856 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.880 19.398 -3.971 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.734 17.408 -4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.696 18.394 -2.825 1.00 0.00 H new ATOM 478 N VAL A 29 2.890 15.004 -4.244 1.00 0.00 N ATOM 479 CA VAL A 29 2.226 13.873 -4.926 1.00 0.00 C ATOM 480 C VAL A 29 2.557 12.523 -4.271 1.00 0.00 C ATOM 481 O VAL A 29 1.711 11.634 -4.222 1.00 0.00 O ATOM 482 CB VAL A 29 2.488 13.879 -6.449 1.00 0.00 C ATOM 483 CG1 VAL A 29 3.901 13.452 -6.859 1.00 0.00 C ATOM 484 CG2 VAL A 29 1.478 12.998 -7.194 1.00 0.00 C ATOM 0 H VAL A 29 3.616 15.458 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 29 1.153 14.014 -4.800 1.00 0.00 H new ATOM 0 HB VAL A 29 2.373 14.925 -6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.991 13.487 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.630 14.129 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.089 12.436 -6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.691 13.025 -8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.555 11.972 -6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.469 13.370 -7.015 1.00 0.00 H new ATOM 494 N LEU A 30 3.747 12.383 -3.676 1.00 0.00 N ATOM 495 CA LEU A 30 4.183 11.197 -2.948 1.00 0.00 C ATOM 496 C LEU A 30 3.376 11.020 -1.655 1.00 0.00 C ATOM 497 O LEU A 30 2.841 9.942 -1.392 1.00 0.00 O ATOM 498 CB LEU A 30 5.691 11.424 -2.701 1.00 0.00 C ATOM 499 CG LEU A 30 6.388 10.454 -1.748 1.00 0.00 C ATOM 500 CD1 LEU A 30 6.410 9.024 -2.279 1.00 0.00 C ATOM 501 CD2 LEU A 30 7.835 10.885 -1.486 1.00 0.00 C ATOM 0 H LEU A 30 4.453 13.119 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 30 4.017 10.271 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.203 11.382 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.823 12.434 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 30 5.809 10.479 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.917 8.378 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.388 8.674 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.941 8.997 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.308 10.177 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.385 10.905 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.843 11.879 -1.040 1.00 0.00 H new ATOM 513 N ALA A 31 3.222 12.108 -0.902 1.00 0.00 N ATOM 514 CA ALA A 31 2.315 12.168 0.247 1.00 0.00 C ATOM 515 C ALA A 31 0.835 11.921 -0.139 1.00 0.00 C ATOM 516 O ALA A 31 0.114 11.235 0.587 1.00 0.00 O ATOM 517 CB ALA A 31 2.500 13.521 0.944 1.00 0.00 C ATOM 0 H ALA A 31 3.725 12.979 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 31 2.570 11.360 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.831 13.582 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.532 13.619 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.268 14.325 0.245 1.00 0.00 H new ATOM 523 N LYS A 32 0.381 12.440 -1.291 1.00 0.00 N ATOM 524 CA LYS A 32 -0.991 12.274 -1.810 1.00 0.00 C ATOM 525 C LYS A 32 -1.336 10.831 -2.195 1.00 0.00 C ATOM 526 O LYS A 32 -2.442 10.375 -1.906 1.00 0.00 O ATOM 527 CB LYS A 32 -1.188 13.232 -3.000 1.00 0.00 C ATOM 528 CG LYS A 32 -2.603 13.224 -3.597 1.00 0.00 C ATOM 529 CD LYS A 32 -2.711 14.261 -4.728 1.00 0.00 C ATOM 530 CE LYS A 32 -4.102 14.292 -5.377 1.00 0.00 C ATOM 531 NZ LYS A 32 -4.371 13.088 -6.209 1.00 0.00 N ATOM 0 H LYS A 32 0.971 13.002 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.682 12.522 -1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.949 14.245 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.476 12.970 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.837 12.231 -3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.334 13.446 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.478 15.249 -4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.964 14.039 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.861 14.368 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.190 15.185 -5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.322 13.158 -6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.665 13.027 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.315 12.236 -5.615 1.00 0.00 H new ATOM 545 N ILE A 33 -0.412 10.109 -2.832 1.00 0.00 N ATOM 546 CA ILE A 33 -0.665 8.775 -3.416 1.00 0.00 C ATOM 547 C ILE A 33 -1.147 7.737 -2.389 1.00 0.00 C ATOM 548 O ILE A 33 -1.989 6.897 -2.716 1.00 0.00 O ATOM 549 CB ILE A 33 0.641 8.305 -4.104 1.00 0.00 C ATOM 550 CG1 ILE A 33 0.666 8.884 -5.530 1.00 0.00 C ATOM 551 CG2 ILE A 33 0.871 6.780 -4.135 1.00 0.00 C ATOM 552 CD1 ILE A 33 2.070 8.850 -6.131 1.00 0.00 C ATOM 0 H ILE A 33 0.547 10.431 -2.962 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.479 8.863 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 33 1.463 8.680 -3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.015 8.317 -6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.303 9.912 -5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.813 6.564 -4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.909 6.397 -3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.054 6.300 -4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.045 9.267 -7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.746 9.439 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.423 7.819 -6.174 1.00 0.00 H new ATOM 564 N LEU A 34 -0.627 7.770 -1.156 1.00 0.00 N ATOM 565 CA LEU A 34 -0.876 6.725 -0.151 1.00 0.00 C ATOM 566 C LEU A 34 -2.359 6.569 0.244 1.00 0.00 C ATOM 567 O LEU A 34 -2.764 5.499 0.695 1.00 0.00 O ATOM 568 CB LEU A 34 0.070 6.929 1.050 1.00 0.00 C ATOM 569 CG LEU A 34 -0.307 8.071 2.017 1.00 0.00 C ATOM 570 CD1 LEU A 34 -1.202 7.593 3.166 1.00 0.00 C ATOM 571 CD2 LEU A 34 0.952 8.664 2.651 1.00 0.00 C ATOM 0 H LEU A 34 -0.021 8.521 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.644 5.763 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.113 5.999 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.074 7.117 0.669 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.844 8.808 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.438 8.434 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.125 7.178 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.680 6.826 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.672 9.469 3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.481 7.888 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.602 9.059 1.870 1.00 0.00 H new ATOM 583 N GLU A 35 -3.188 7.595 0.032 1.00 0.00 N ATOM 584 CA GLU A 35 -4.630 7.577 0.223 1.00 0.00 C ATOM 585 C GLU A 35 -5.342 6.599 -0.720 1.00 0.00 C ATOM 586 O GLU A 35 -6.299 5.937 -0.315 1.00 0.00 O ATOM 587 CB GLU A 35 -5.103 9.002 -0.019 1.00 0.00 C ATOM 588 CG GLU A 35 -4.768 9.912 1.166 1.00 0.00 C ATOM 589 CD GLU A 35 -5.724 9.710 2.359 1.00 0.00 C ATOM 590 OE1 GLU A 35 -6.809 10.342 2.386 1.00 0.00 O ATOM 591 OE2 GLU A 35 -5.395 8.931 3.286 1.00 0.00 O ATOM 0 H GLU A 35 -2.850 8.501 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.870 7.231 1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.636 9.393 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.180 9.005 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.745 9.720 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.810 10.952 0.844 1.00 0.00 H new ATOM 598 N ASP A 36 -4.859 6.450 -1.957 1.00 0.00 N ATOM 599 CA ASP A 36 -5.357 5.450 -2.889 1.00 0.00 C ATOM 600 C ASP A 36 -5.021 4.033 -2.399 1.00 0.00 C ATOM 601 O ASP A 36 -5.884 3.162 -2.370 1.00 0.00 O ATOM 602 CB ASP A 36 -4.703 5.691 -4.251 1.00 0.00 C ATOM 603 CG ASP A 36 -4.984 7.062 -4.889 1.00 0.00 C ATOM 604 OD1 ASP A 36 -6.100 7.615 -4.732 1.00 0.00 O ATOM 605 OD2 ASP A 36 -4.070 7.567 -5.586 1.00 0.00 O ATOM 0 H ASP A 36 -4.107 7.026 -2.336 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.441 5.535 -2.965 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.625 5.575 -4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.039 4.915 -4.938 1.00 0.00 H new ATOM 610 N GLU A 37 -3.786 3.804 -1.943 1.00 0.00 N ATOM 611 CA GLU A 37 -3.362 2.509 -1.388 1.00 0.00 C ATOM 612 C GLU A 37 -4.148 2.131 -0.114 1.00 0.00 C ATOM 613 O GLU A 37 -4.430 0.955 0.109 1.00 0.00 O ATOM 614 CB GLU A 37 -1.848 2.513 -1.100 1.00 0.00 C ATOM 615 CG GLU A 37 -0.925 2.956 -2.253 1.00 0.00 C ATOM 616 CD GLU A 37 -0.944 2.053 -3.490 1.00 0.00 C ATOM 617 OE1 GLU A 37 -1.709 1.062 -3.574 1.00 0.00 O ATOM 618 OE2 GLU A 37 -0.214 2.321 -4.476 1.00 0.00 O ATOM 0 H GLU A 37 -3.049 4.510 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.582 1.752 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.666 3.167 -0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.556 1.507 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.207 3.965 -2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.097 3.010 -1.878 1.00 0.00 H new ATOM 625 N GLU A 38 -4.565 3.116 0.691 1.00 0.00 N ATOM 626 CA GLU A 38 -5.462 2.925 1.841 1.00 0.00 C ATOM 627 C GLU A 38 -6.827 2.361 1.409 1.00 0.00 C ATOM 628 O GLU A 38 -7.312 1.388 1.991 1.00 0.00 O ATOM 629 CB GLU A 38 -5.623 4.267 2.583 1.00 0.00 C ATOM 630 CG GLU A 38 -5.926 4.140 4.084 1.00 0.00 C ATOM 631 CD GLU A 38 -7.362 3.682 4.409 1.00 0.00 C ATOM 632 OE1 GLU A 38 -8.329 4.294 3.895 1.00 0.00 O ATOM 633 OE2 GLU A 38 -7.530 2.748 5.229 1.00 0.00 O ATOM 0 H GLU A 38 -4.284 4.088 0.560 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.020 2.191 2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.708 4.847 2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.426 4.833 2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.224 3.433 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.749 5.104 4.561 1.00 0.00 H new ATOM 640 N LYS A 39 -7.419 2.912 0.337 1.00 0.00 N ATOM 641 CA LYS A 39 -8.629 2.370 -0.296 1.00 0.00 C ATOM 642 C LYS A 39 -8.394 0.957 -0.845 1.00 0.00 C ATOM 643 O LYS A 39 -9.181 0.053 -0.567 1.00 0.00 O ATOM 644 CB LYS A 39 -9.103 3.300 -1.428 1.00 0.00 C ATOM 645 CG LYS A 39 -10.148 4.352 -1.040 1.00 0.00 C ATOM 646 CD LYS A 39 -9.656 5.688 -0.459 1.00 0.00 C ATOM 647 CE LYS A 39 -9.093 5.633 0.963 1.00 0.00 C ATOM 648 NZ LYS A 39 -10.083 5.162 1.965 1.00 0.00 N ATOM 0 H LYS A 39 -7.067 3.754 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 39 -9.402 2.310 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.233 3.814 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.515 2.685 -2.228 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.742 4.574 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.820 3.900 -0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.885 6.087 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.485 6.395 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.227 4.972 0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.742 6.625 1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.603 4.984 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.815 5.889 2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.525 4.283 1.629 1.00 0.00 H new ATOM 662 N HIS A 40 -7.297 0.746 -1.582 1.00 0.00 N ATOM 663 CA HIS A 40 -6.978 -0.514 -2.253 1.00 0.00 C ATOM 664 C HIS A 40 -6.953 -1.716 -1.313 1.00 0.00 C ATOM 665 O HIS A 40 -7.484 -2.758 -1.671 1.00 0.00 O ATOM 666 CB HIS A 40 -5.599 -0.416 -2.906 1.00 0.00 C ATOM 667 CG HIS A 40 -5.422 0.501 -4.083 1.00 0.00 C ATOM 668 ND1 HIS A 40 -4.221 0.641 -4.796 1.00 0.00 N ATOM 669 CD2 HIS A 40 -6.366 1.330 -4.612 1.00 0.00 C ATOM 670 CE1 HIS A 40 -4.487 1.590 -5.725 1.00 0.00 C ATOM 671 NE2 HIS A 40 -5.756 2.016 -5.628 1.00 0.00 N ATOM 0 H HIS A 40 -6.591 1.467 -1.730 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.770 -0.670 -2.985 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.890 -0.108 -2.137 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -5.311 -1.419 -3.222 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.393 1.427 -4.293 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.773 1.955 -6.448 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -6.192 2.730 -6.212 1.00 0.00 H new ATOM 679 N ILE A 41 -6.340 -1.580 -0.136 1.00 0.00 N ATOM 680 CA ILE A 41 -6.082 -2.650 0.833 1.00 0.00 C ATOM 681 C ILE A 41 -7.285 -2.889 1.760 1.00 0.00 C ATOM 682 O ILE A 41 -7.517 -4.019 2.188 1.00 0.00 O ATOM 683 CB ILE A 41 -4.770 -2.376 1.604 1.00 0.00 C ATOM 684 CG1 ILE A 41 -4.254 -3.679 2.249 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.906 -1.246 2.640 1.00 0.00 C ATOM 686 CD1 ILE A 41 -2.815 -3.581 2.766 1.00 0.00 C ATOM 0 H ILE A 41 -5.992 -0.676 0.185 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.946 -3.583 0.286 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.034 -2.025 0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.910 -3.950 3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.314 -4.485 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.952 -1.101 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.192 -0.323 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.670 -1.512 3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.521 -4.534 3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.147 -3.341 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.752 -2.798 3.522 1.00 0.00 H new ATOM 698 N GLU A 42 -8.111 -1.866 2.004 1.00 0.00 N ATOM 699 CA GLU A 42 -9.446 -2.040 2.590 1.00 0.00 C ATOM 700 C GLU A 42 -10.336 -2.884 1.660 1.00 0.00 C ATOM 701 O GLU A 42 -10.941 -3.865 2.100 1.00 0.00 O ATOM 702 CB GLU A 42 -10.065 -0.661 2.877 1.00 0.00 C ATOM 703 CG GLU A 42 -11.456 -0.760 3.516 1.00 0.00 C ATOM 704 CD GLU A 42 -11.984 0.628 3.930 1.00 0.00 C ATOM 705 OE1 GLU A 42 -12.335 1.443 3.041 1.00 0.00 O ATOM 706 OE2 GLU A 42 -12.078 0.907 5.151 1.00 0.00 O ATOM 0 H GLU A 42 -7.874 -0.895 1.801 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.364 -2.579 3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.404 -0.101 3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.136 -0.098 1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.150 -1.220 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.411 -1.410 4.390 1.00 0.00 H new ATOM 713 N TRP A 43 -10.351 -2.567 0.358 1.00 0.00 N ATOM 714 CA TRP A 43 -10.994 -3.403 -0.660 1.00 0.00 C ATOM 715 C TRP A 43 -10.323 -4.781 -0.791 1.00 0.00 C ATOM 716 O TRP A 43 -11.029 -5.778 -0.955 1.00 0.00 O ATOM 717 CB TRP A 43 -11.023 -2.667 -2.009 1.00 0.00 C ATOM 718 CG TRP A 43 -11.750 -1.351 -2.050 1.00 0.00 C ATOM 719 CD1 TRP A 43 -12.856 -1.026 -1.340 1.00 0.00 C ATOM 720 CD2 TRP A 43 -11.459 -0.177 -2.876 1.00 0.00 C ATOM 721 NE1 TRP A 43 -13.264 0.254 -1.663 1.00 0.00 N ATOM 722 CE2 TRP A 43 -12.452 0.818 -2.623 1.00 0.00 C ATOM 723 CE3 TRP A 43 -10.479 0.136 -3.843 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -12.476 2.047 -3.300 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -10.496 1.361 -4.537 1.00 0.00 C ATOM 726 CH2 TRP A 43 -11.494 2.316 -4.269 1.00 0.00 C ATOM 0 H TRP A 43 -9.917 -1.723 -0.017 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.019 -3.587 -0.339 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.994 -2.496 -2.324 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.477 -3.329 -2.747 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -13.347 -1.672 -0.627 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -14.066 0.723 -1.243 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.699 -0.580 -4.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.240 2.778 -3.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.739 1.569 -5.279 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.505 3.253 -4.806 1.00 0.00 H new ATOM 737 N LEU A 44 -8.988 -4.870 -0.664 1.00 0.00 N ATOM 738 CA LEU A 44 -8.248 -6.138 -0.710 1.00 0.00 C ATOM 739 C LEU A 44 -8.704 -7.121 0.376 1.00 0.00 C ATOM 740 O LEU A 44 -9.027 -8.271 0.091 1.00 0.00 O ATOM 741 CB LEU A 44 -6.762 -5.798 -0.539 1.00 0.00 C ATOM 742 CG LEU A 44 -5.754 -6.766 -1.120 1.00 0.00 C ATOM 743 CD1 LEU A 44 -4.349 -6.281 -0.797 1.00 0.00 C ATOM 744 CD2 LEU A 44 -5.937 -8.216 -0.690 1.00 0.00 C ATOM 0 H LEU A 44 -8.389 -4.056 -0.525 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.436 -6.635 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.587 -4.820 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.559 -5.701 0.528 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.923 -6.774 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.620 -6.976 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.197 -5.292 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.222 -6.227 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.169 -8.833 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.851 -8.288 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.922 -8.566 -1.000 1.00 0.00 H new ATOM 756 N GLU A 45 -8.760 -6.656 1.622 1.00 0.00 N ATOM 757 CA GLU A 45 -9.217 -7.446 2.774 1.00 0.00 C ATOM 758 C GLU A 45 -10.623 -8.030 2.558 1.00 0.00 C ATOM 759 O GLU A 45 -10.839 -9.225 2.766 1.00 0.00 O ATOM 760 CB GLU A 45 -9.179 -6.577 4.040 1.00 0.00 C ATOM 761 CG GLU A 45 -9.277 -7.426 5.313 1.00 0.00 C ATOM 762 CD GLU A 45 -9.222 -6.548 6.578 1.00 0.00 C ATOM 763 OE1 GLU A 45 -10.288 -6.062 7.031 1.00 0.00 O ATOM 764 OE2 GLU A 45 -8.118 -6.351 7.141 1.00 0.00 O ATOM 0 H GLU A 45 -8.486 -5.705 1.869 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.540 -8.292 2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.255 -6.000 4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.001 -5.862 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.207 -7.995 5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.462 -8.149 5.334 1.00 0.00 H new ATOM 771 N THR A 46 -11.560 -7.215 2.065 1.00 0.00 N ATOM 772 CA THR A 46 -12.911 -7.663 1.671 1.00 0.00 C ATOM 773 C THR A 46 -12.872 -8.711 0.548 1.00 0.00 C ATOM 774 O THR A 46 -13.571 -9.724 0.622 1.00 0.00 O ATOM 775 CB THR A 46 -13.782 -6.467 1.258 1.00 0.00 C ATOM 776 OG1 THR A 46 -13.881 -5.564 2.342 1.00 0.00 O ATOM 777 CG2 THR A 46 -15.213 -6.856 0.879 1.00 0.00 C ATOM 0 H THR A 46 -11.407 -6.216 1.925 1.00 0.00 H new ATOM 0 HA THR A 46 -13.356 -8.140 2.545 1.00 0.00 H new ATOM 0 HB THR A 46 -13.297 -6.030 0.385 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.435 -4.799 2.081 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.771 -5.963 0.598 1.00 0.00 H new ATOM 0 HG22 THR A 46 -15.191 -7.549 0.038 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.698 -7.334 1.730 1.00 0.00 H new ATOM 785 N ILE A 47 -12.026 -8.508 -0.468 1.00 0.00 N ATOM 786 CA ILE A 47 -11.778 -9.457 -1.571 1.00 0.00 C ATOM 787 C ILE A 47 -11.200 -10.812 -1.125 1.00 0.00 C ATOM 788 O ILE A 47 -11.489 -11.858 -1.711 1.00 0.00 O ATOM 789 CB ILE A 47 -10.951 -8.736 -2.670 1.00 0.00 C ATOM 790 CG1 ILE A 47 -11.917 -7.925 -3.562 1.00 0.00 C ATOM 791 CG2 ILE A 47 -10.071 -9.667 -3.515 1.00 0.00 C ATOM 792 CD1 ILE A 47 -11.231 -6.931 -4.509 1.00 0.00 C ATOM 0 H ILE A 47 -11.475 -7.654 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.737 -9.751 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.246 -8.077 -2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.512 -8.619 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.609 -7.378 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.529 -9.081 -4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.360 -10.181 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.698 -10.401 -4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.986 -6.407 -5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.659 -6.209 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.561 -7.470 -5.179 1.00 0.00 H new ATOM 804 N ASN A 48 -10.424 -10.785 -0.053 1.00 0.00 N ATOM 805 CA ASN A 48 -9.735 -11.936 0.545 1.00 0.00 C ATOM 806 C ASN A 48 -10.627 -12.747 1.508 1.00 0.00 C ATOM 807 O ASN A 48 -10.623 -13.981 1.495 1.00 0.00 O ATOM 808 CB ASN A 48 -8.443 -11.419 1.210 1.00 0.00 C ATOM 809 CG ASN A 48 -7.464 -12.502 1.645 1.00 0.00 C ATOM 810 OD1 ASN A 48 -7.598 -13.683 1.362 1.00 0.00 O ATOM 811 ND2 ASN A 48 -6.411 -12.122 2.334 1.00 0.00 N ATOM 0 H ASN A 48 -10.243 -9.919 0.455 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.482 -12.652 -0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.936 -10.751 0.514 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.714 -10.824 2.082 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.717 -12.810 2.626 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.288 -11.139 2.576 1.00 0.00 H new ATOM 818 N GLY A 49 -11.444 -12.034 2.285 1.00 0.00 N ATOM 819 CA GLY A 49 -12.381 -12.553 3.296 1.00 0.00 C ATOM 820 C GLY A 49 -11.747 -13.494 4.328 1.00 0.00 C ATOM 821 O GLY A 49 -12.296 -14.600 4.535 1.00 0.00 O ATOM 822 OXT GLY A 49 -10.733 -13.108 4.952 1.00 0.00 O ATOM 0 H GLY A 49 -11.475 -11.016 2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.833 -11.711 3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.187 -13.082 2.788 1.00 0.00 H new TER 826 GLY A 49 ATOM 827 N MET B 1 21.138 7.883 -3.472 1.00 0.00 N ATOM 828 CA MET B 1 19.715 8.053 -3.072 1.00 0.00 C ATOM 829 C MET B 1 19.003 6.701 -3.022 1.00 0.00 C ATOM 830 O MET B 1 18.702 6.223 -1.932 1.00 0.00 O ATOM 831 CB MET B 1 18.937 9.057 -3.952 1.00 0.00 C ATOM 832 CG MET B 1 19.255 10.526 -3.646 1.00 0.00 C ATOM 833 SD MET B 1 20.913 11.100 -4.110 1.00 0.00 S ATOM 834 CE MET B 1 20.744 12.856 -3.685 1.00 0.00 C ATOM 0 H1 MET B 1 21.524 8.799 -3.778 1.00 0.00 H new ATOM 0 H2 MET B 1 21.686 7.529 -2.662 1.00 0.00 H new ATOM 0 H3 MET B 1 21.199 7.202 -4.255 1.00 0.00 H new ATOM 0 HA MET B 1 19.731 8.486 -2.072 1.00 0.00 H new ATOM 0 HB2 MET B 1 19.162 8.857 -5.000 1.00 0.00 H new ATOM 0 HB3 MET B 1 17.868 8.891 -3.818 1.00 0.00 H new ATOM 0 HG2 MET B 1 18.521 11.149 -4.157 1.00 0.00 H new ATOM 0 HG3 MET B 1 19.123 10.690 -2.577 1.00 0.00 H new ATOM 0 HE1 MET B 1 21.677 13.375 -3.905 1.00 0.00 H new ATOM 0 HE2 MET B 1 19.937 13.296 -4.271 1.00 0.00 H new ATOM 0 HE3 MET B 1 20.517 12.953 -2.623 1.00 0.00 H new ATOM 846 N ASP B 2 18.716 6.085 -4.179 1.00 0.00 N ATOM 847 CA ASP B 2 18.124 4.739 -4.362 1.00 0.00 C ATOM 848 C ASP B 2 16.676 4.542 -3.855 1.00 0.00 C ATOM 849 O ASP B 2 16.009 3.603 -4.292 1.00 0.00 O ATOM 850 CB ASP B 2 19.076 3.648 -3.833 1.00 0.00 C ATOM 851 CG ASP B 2 20.457 3.707 -4.508 1.00 0.00 C ATOM 852 OD1 ASP B 2 21.341 4.457 -4.025 1.00 0.00 O ATOM 853 OD2 ASP B 2 20.657 3.013 -5.533 1.00 0.00 O ATOM 0 H ASP B 2 18.901 6.538 -5.074 1.00 0.00 H new ATOM 0 HA ASP B 2 18.014 4.639 -5.442 1.00 0.00 H new ATOM 0 HB2 ASP B 2 19.195 3.763 -2.756 1.00 0.00 H new ATOM 0 HB3 ASP B 2 18.632 2.667 -4.002 1.00 0.00 H new ATOM 858 N TYR B 3 16.154 5.457 -3.023 1.00 0.00 N ATOM 859 CA TYR B 3 14.771 5.515 -2.521 1.00 0.00 C ATOM 860 C TYR B 3 13.725 5.129 -3.575 1.00 0.00 C ATOM 861 O TYR B 3 12.934 4.205 -3.376 1.00 0.00 O ATOM 862 CB TYR B 3 14.477 6.952 -2.033 1.00 0.00 C ATOM 863 CG TYR B 3 14.623 7.259 -0.553 1.00 0.00 C ATOM 864 CD1 TYR B 3 15.436 6.491 0.305 1.00 0.00 C ATOM 865 CD2 TYR B 3 13.896 8.350 -0.034 1.00 0.00 C ATOM 866 CE1 TYR B 3 15.482 6.790 1.680 1.00 0.00 C ATOM 867 CE2 TYR B 3 13.950 8.659 1.335 1.00 0.00 C ATOM 868 CZ TYR B 3 14.735 7.869 2.203 1.00 0.00 C ATOM 869 OH TYR B 3 14.773 8.131 3.537 1.00 0.00 O ATOM 0 H TYR B 3 16.721 6.223 -2.660 1.00 0.00 H new ATOM 0 HA TYR B 3 14.694 4.789 -1.711 1.00 0.00 H new ATOM 0 HB2 TYR B 3 15.135 7.628 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR B 3 13.456 7.198 -2.323 1.00 0.00 H new ATOM 0 HD1 TYR B 3 16.022 5.675 -0.091 1.00 0.00 H new ATOM 0 HD2 TYR B 3 13.292 8.954 -0.695 1.00 0.00 H new ATOM 0 HE1 TYR B 3 16.092 6.191 2.339 1.00 0.00 H new ATOM 0 HE2 TYR B 3 13.393 9.499 1.723 1.00 0.00 H new ATOM 0 HH TYR B 3 15.642 7.859 3.899 1.00 0.00 H new ATOM 879 N LEU B 4 13.720 5.832 -4.712 1.00 0.00 N ATOM 880 CA LEU B 4 12.706 5.674 -5.733 1.00 0.00 C ATOM 881 C LEU B 4 12.809 4.375 -6.544 1.00 0.00 C ATOM 882 O LEU B 4 11.806 3.934 -7.102 1.00 0.00 O ATOM 883 CB LEU B 4 12.700 6.934 -6.607 1.00 0.00 C ATOM 884 CG LEU B 4 13.976 7.140 -7.442 1.00 0.00 C ATOM 885 CD1 LEU B 4 13.628 7.467 -8.893 1.00 0.00 C ATOM 886 CD2 LEU B 4 14.842 8.271 -6.880 1.00 0.00 C ATOM 0 H LEU B 4 14.429 6.529 -4.941 1.00 0.00 H new ATOM 0 HA LEU B 4 11.741 5.567 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU B 4 11.844 6.889 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU B 4 12.556 7.804 -5.966 1.00 0.00 H new ATOM 0 HG LEU B 4 14.537 6.206 -7.396 1.00 0.00 H new ATOM 0 HD11 LEU B 4 14.546 7.608 -9.464 1.00 0.00 H new ATOM 0 HD12 LEU B 4 13.055 6.646 -9.324 1.00 0.00 H new ATOM 0 HD13 LEU B 4 13.034 8.381 -8.928 1.00 0.00 H new ATOM 0 HD21 LEU B 4 15.734 8.387 -7.496 1.00 0.00 H new ATOM 0 HD22 LEU B 4 14.274 9.201 -6.886 1.00 0.00 H new ATOM 0 HD23 LEU B 4 15.135 8.031 -5.858 1.00 0.00 H new ATOM 898 N ARG B 5 13.976 3.719 -6.571 1.00 0.00 N ATOM 899 CA ARG B 5 14.108 2.399 -7.204 1.00 0.00 C ATOM 900 C ARG B 5 13.348 1.354 -6.402 1.00 0.00 C ATOM 901 O ARG B 5 12.606 0.576 -6.986 1.00 0.00 O ATOM 902 CB ARG B 5 15.585 1.996 -7.377 1.00 0.00 C ATOM 903 CG ARG B 5 16.411 3.047 -8.137 1.00 0.00 C ATOM 904 CD ARG B 5 17.822 2.547 -8.480 1.00 0.00 C ATOM 905 NE ARG B 5 17.810 1.591 -9.608 1.00 0.00 N ATOM 906 CZ ARG B 5 18.008 0.284 -9.575 1.00 0.00 C ATOM 907 NH1 ARG B 5 18.246 -0.364 -8.470 1.00 0.00 N ATOM 908 NH2 ARG B 5 17.967 -0.409 -10.678 1.00 0.00 N ATOM 0 H ARG B 5 14.840 4.078 -6.164 1.00 0.00 H new ATOM 0 HA ARG B 5 13.673 2.459 -8.202 1.00 0.00 H new ATOM 0 HB2 ARG B 5 16.029 1.834 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG B 5 15.637 1.047 -7.910 1.00 0.00 H new ATOM 0 HG2 ARG B 5 15.891 3.318 -9.056 1.00 0.00 H new ATOM 0 HG3 ARG B 5 16.486 3.952 -7.534 1.00 0.00 H new ATOM 0 HD2 ARG B 5 18.457 3.397 -8.731 1.00 0.00 H new ATOM 0 HD3 ARG B 5 18.261 2.069 -7.604 1.00 0.00 H new ATOM 0 HE ARG B 5 17.626 1.990 -10.528 1.00 0.00 H new ATOM 0 HH11 ARG B 5 18.286 0.138 -7.583 1.00 0.00 H new ATOM 0 HH12 ARG B 5 18.393 -1.373 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG B 5 17.782 0.057 -11.566 1.00 0.00 H new ATOM 0 HH22 ARG B 5 18.120 -1.417 -10.653 1.00 0.00 H new ATOM 922 N GLU B 6 13.428 1.380 -5.071 1.00 0.00 N ATOM 923 CA GLU B 6 12.632 0.529 -4.207 1.00 0.00 C ATOM 924 C GLU B 6 11.121 0.778 -4.362 1.00 0.00 C ATOM 925 O GLU B 6 10.358 -0.184 -4.333 1.00 0.00 O ATOM 926 CB GLU B 6 13.116 0.758 -2.771 1.00 0.00 C ATOM 927 CG GLU B 6 14.310 -0.140 -2.426 1.00 0.00 C ATOM 928 CD GLU B 6 14.717 0.012 -0.948 1.00 0.00 C ATOM 929 OE1 GLU B 6 15.558 0.888 -0.630 1.00 0.00 O ATOM 930 OE2 GLU B 6 14.215 -0.761 -0.096 1.00 0.00 O ATOM 0 H GLU B 6 14.057 2.002 -4.564 1.00 0.00 H new ATOM 0 HA GLU B 6 12.768 -0.516 -4.487 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.398 1.803 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU B 6 12.300 0.561 -2.076 1.00 0.00 H new ATOM 0 HG2 GLU B 6 14.056 -1.180 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU B 6 15.155 0.114 -3.066 1.00 0.00 H new ATOM 937 N LEU B 7 10.672 2.016 -4.614 1.00 0.00 N ATOM 938 CA LEU B 7 9.271 2.289 -4.964 1.00 0.00 C ATOM 939 C LEU B 7 8.889 1.674 -6.314 1.00 0.00 C ATOM 940 O LEU B 7 7.931 0.909 -6.378 1.00 0.00 O ATOM 941 CB LEU B 7 8.991 3.800 -4.954 1.00 0.00 C ATOM 942 CG LEU B 7 9.289 4.557 -3.651 1.00 0.00 C ATOM 943 CD1 LEU B 7 8.953 6.039 -3.824 1.00 0.00 C ATOM 944 CD2 LEU B 7 8.503 4.019 -2.460 1.00 0.00 C ATOM 0 H LEU B 7 11.262 2.847 -4.582 1.00 0.00 H new ATOM 0 HA LEU B 7 8.648 1.816 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU B 7 9.575 4.258 -5.753 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.940 3.951 -5.201 1.00 0.00 H new ATOM 0 HG LEU B 7 10.350 4.416 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU B 7 9.166 6.571 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU B 7 9.557 6.457 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU B 7 7.896 6.146 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU B 7 8.755 4.593 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.435 4.108 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU B 7 8.756 2.971 -2.300 1.00 0.00 H new ATOM 956 N TYR B 8 9.644 1.944 -7.383 1.00 0.00 N ATOM 957 CA TYR B 8 9.406 1.355 -8.710 1.00 0.00 C ATOM 958 C TYR B 8 9.318 -0.172 -8.675 1.00 0.00 C ATOM 959 O TYR B 8 8.354 -0.773 -9.155 1.00 0.00 O ATOM 960 CB TYR B 8 10.523 1.806 -9.659 1.00 0.00 C ATOM 961 CG TYR B 8 10.086 1.910 -11.110 1.00 0.00 C ATOM 962 CD1 TYR B 8 9.925 0.742 -11.882 1.00 0.00 C ATOM 963 CD2 TYR B 8 9.812 3.169 -11.680 1.00 0.00 C ATOM 964 CE1 TYR B 8 9.477 0.831 -13.214 1.00 0.00 C ATOM 965 CE2 TYR B 8 9.358 3.262 -13.012 1.00 0.00 C ATOM 966 CZ TYR B 8 9.184 2.090 -13.781 1.00 0.00 C ATOM 967 OH TYR B 8 8.739 2.163 -15.065 1.00 0.00 O ATOM 0 H TYR B 8 10.441 2.579 -7.355 1.00 0.00 H new ATOM 0 HA TYR B 8 8.438 1.708 -9.066 1.00 0.00 H new ATOM 0 HB2 TYR B 8 10.897 2.776 -9.331 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.354 1.104 -9.588 1.00 0.00 H new ATOM 0 HD1 TYR B 8 10.146 -0.223 -11.451 1.00 0.00 H new ATOM 0 HD2 TYR B 8 9.950 4.066 -11.095 1.00 0.00 H new ATOM 0 HE1 TYR B 8 9.357 -0.066 -13.803 1.00 0.00 H new ATOM 0 HE2 TYR B 8 9.144 4.228 -13.444 1.00 0.00 H new ATOM 0 HH TYR B 8 8.582 3.100 -15.304 1.00 0.00 H new ATOM 977 N LYS B 9 10.311 -0.783 -8.027 1.00 0.00 N ATOM 978 CA LYS B 9 10.429 -2.236 -7.803 1.00 0.00 C ATOM 979 C LYS B 9 9.429 -2.821 -6.790 1.00 0.00 C ATOM 980 O LYS B 9 9.483 -4.020 -6.520 1.00 0.00 O ATOM 981 CB LYS B 9 11.891 -2.602 -7.468 1.00 0.00 C ATOM 982 CG LYS B 9 12.923 -2.195 -8.543 1.00 0.00 C ATOM 983 CD LYS B 9 12.723 -2.804 -9.936 1.00 0.00 C ATOM 984 CE LYS B 9 12.953 -4.321 -9.931 1.00 0.00 C ATOM 985 NZ LYS B 9 12.942 -4.881 -11.308 1.00 0.00 N ATOM 0 H LYS B 9 11.091 -0.263 -7.625 1.00 0.00 H new ATOM 0 HA LYS B 9 10.147 -2.713 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.163 -2.127 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.955 -3.679 -7.312 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.909 -1.109 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.916 -2.471 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS B 9 11.713 -2.590 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.409 -2.334 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.908 -4.543 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS B 9 12.179 -4.805 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.100 -5.908 -11.266 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.022 -4.690 -11.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 13.696 -4.437 -11.869 1.00 0.00 H new ATOM 999 N LEU B 10 8.473 -2.024 -6.304 1.00 0.00 N ATOM 1000 CA LEU B 10 7.263 -2.496 -5.617 1.00 0.00 C ATOM 1001 C LEU B 10 5.979 -2.147 -6.391 1.00 0.00 C ATOM 1002 O LEU B 10 5.091 -2.990 -6.508 1.00 0.00 O ATOM 1003 CB LEU B 10 7.232 -1.910 -4.191 1.00 0.00 C ATOM 1004 CG LEU B 10 8.348 -2.422 -3.254 1.00 0.00 C ATOM 1005 CD1 LEU B 10 8.374 -1.582 -1.980 1.00 0.00 C ATOM 1006 CD2 LEU B 10 8.144 -3.878 -2.849 1.00 0.00 C ATOM 0 H LEU B 10 8.518 -1.008 -6.378 1.00 0.00 H new ATOM 0 HA LEU B 10 7.299 -3.584 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU B 10 7.303 -0.824 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.266 -2.139 -3.741 1.00 0.00 H new ATOM 0 HG LEU B 10 9.285 -2.341 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU B 10 9.162 -1.945 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU B 10 8.566 -0.540 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU B 10 7.412 -1.660 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU B 10 8.955 -4.190 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU B 10 7.193 -3.981 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU B 10 8.138 -4.506 -3.740 1.00 0.00 H new ATOM 1018 N GLU B 11 5.880 -0.950 -6.973 1.00 0.00 N ATOM 1019 CA GLU B 11 4.663 -0.458 -7.636 1.00 0.00 C ATOM 1020 C GLU B 11 4.416 -1.133 -8.999 1.00 0.00 C ATOM 1021 O GLU B 11 3.309 -1.612 -9.253 1.00 0.00 O ATOM 1022 CB GLU B 11 4.768 1.069 -7.794 1.00 0.00 C ATOM 1023 CG GLU B 11 4.677 1.843 -6.466 1.00 0.00 C ATOM 1024 CD GLU B 11 3.227 2.078 -6.034 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.404 1.219 -5.672 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.617 3.156 -6.114 1.00 0.00 O ATOM 0 H GLU B 11 6.652 -0.283 -6.999 1.00 0.00 H new ATOM 0 HA GLU B 11 3.807 -0.714 -7.012 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.714 1.310 -8.279 1.00 0.00 H new ATOM 0 HB3 GLU B 11 3.974 1.411 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.201 1.289 -5.687 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.184 2.802 -6.571 1.00 0.00 H new ATOM 1033 N GLN B 12 5.435 -1.252 -9.863 1.00 0.00 N ATOM 1034 CA GLN B 12 5.330 -2.014 -11.111 1.00 0.00 C ATOM 1035 C GLN B 12 5.325 -3.535 -10.861 1.00 0.00 C ATOM 1036 O GLN B 12 4.672 -4.289 -11.582 1.00 0.00 O ATOM 1037 CB GLN B 12 6.471 -1.596 -12.049 1.00 0.00 C ATOM 1038 CG GLN B 12 5.966 -0.697 -13.184 1.00 0.00 C ATOM 1039 CD GLN B 12 5.146 -1.388 -14.276 1.00 0.00 C ATOM 1040 OE1 GLN B 12 4.848 -2.573 -14.249 1.00 0.00 O ATOM 1041 NE2 GLN B 12 4.736 -0.658 -15.291 1.00 0.00 N ATOM 0 H GLN B 12 6.349 -0.824 -9.715 1.00 0.00 H new ATOM 0 HA GLN B 12 4.375 -1.785 -11.584 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.237 -1.069 -11.480 1.00 0.00 H new ATOM 0 HB3 GLN B 12 6.942 -2.485 -12.470 1.00 0.00 H new ATOM 0 HG2 GLN B 12 5.358 0.096 -12.749 1.00 0.00 H new ATOM 0 HG3 GLN B 12 6.827 -0.219 -13.652 1.00 0.00 H new ATOM 0 HE21 GLN B 12 4.973 0.333 -15.335 1.00 0.00 H new ATOM 0 HE22 GLN B 12 4.182 -1.083 -16.034 1.00 0.00 H new ATOM 1050 N GLN B 13 5.983 -3.992 -9.788 1.00 0.00 N ATOM 1051 CA GLN B 13 5.893 -5.381 -9.316 1.00 0.00 C ATOM 1052 C GLN B 13 4.443 -5.779 -8.981 1.00 0.00 C ATOM 1053 O GLN B 13 3.988 -6.854 -9.372 1.00 0.00 O ATOM 1054 CB GLN B 13 6.838 -5.602 -8.132 1.00 0.00 C ATOM 1055 CG GLN B 13 7.939 -6.637 -8.415 1.00 0.00 C ATOM 1056 CD GLN B 13 7.389 -8.057 -8.564 1.00 0.00 C ATOM 1057 OE1 GLN B 13 7.159 -8.552 -9.660 1.00 0.00 O ATOM 1058 NE2 GLN B 13 7.157 -8.759 -7.475 1.00 0.00 N ATOM 0 H GLN B 13 6.596 -3.407 -9.220 1.00 0.00 H new ATOM 0 HA GLN B 13 6.211 -6.037 -10.126 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.302 -4.653 -7.865 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.257 -5.927 -7.269 1.00 0.00 H new ATOM 0 HG2 GLN B 13 8.468 -6.359 -9.327 1.00 0.00 H new ATOM 0 HG3 GLN B 13 8.668 -6.617 -7.605 1.00 0.00 H new ATOM 0 HE21 GLN B 13 7.346 -8.355 -6.558 1.00 0.00 H new ATOM 0 HE22 GLN B 13 6.789 -9.707 -7.548 1.00 0.00 H new ATOM 1067 N ALA B 14 3.689 -4.888 -8.329 1.00 0.00 N ATOM 1068 CA ALA B 14 2.254 -5.063 -8.122 1.00 0.00 C ATOM 1069 C ALA B 14 1.449 -4.958 -9.440 1.00 0.00 C ATOM 1070 O ALA B 14 0.601 -5.808 -9.706 1.00 0.00 O ATOM 1071 CB ALA B 14 1.795 -4.061 -7.058 1.00 0.00 C ATOM 0 H ALA B 14 4.060 -4.025 -7.931 1.00 0.00 H new ATOM 0 HA ALA B 14 2.058 -6.074 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA B 14 0.724 -4.175 -6.888 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.332 -4.247 -6.128 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.002 -3.047 -7.400 1.00 0.00 H new ATOM 1077 N MET B 15 1.747 -3.986 -10.316 1.00 0.00 N ATOM 1078 CA MET B 15 1.111 -3.835 -11.643 1.00 0.00 C ATOM 1079 C MET B 15 1.177 -5.106 -12.511 1.00 0.00 C ATOM 1080 O MET B 15 0.201 -5.445 -13.180 1.00 0.00 O ATOM 1081 CB MET B 15 1.738 -2.642 -12.379 1.00 0.00 C ATOM 1082 CG MET B 15 1.110 -2.355 -13.753 1.00 0.00 C ATOM 1083 SD MET B 15 0.646 -0.627 -14.010 1.00 0.00 S ATOM 1084 CE MET B 15 -0.857 -0.639 -13.004 1.00 0.00 C ATOM 0 H MET B 15 2.447 -3.269 -10.124 1.00 0.00 H new ATOM 0 HA MET B 15 0.050 -3.654 -11.468 1.00 0.00 H new ATOM 0 HB2 MET B 15 1.644 -1.753 -11.755 1.00 0.00 H new ATOM 0 HB3 MET B 15 2.804 -2.828 -12.510 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.815 -2.650 -14.531 1.00 0.00 H new ATOM 0 HG3 MET B 15 0.224 -2.979 -13.872 1.00 0.00 H new ATOM 0 HE1 MET B 15 -1.118 0.383 -12.727 1.00 0.00 H new ATOM 0 HE2 MET B 15 -1.674 -1.080 -13.575 1.00 0.00 H new ATOM 0 HE3 MET B 15 -0.687 -1.227 -12.102 1.00 0.00 H new ATOM 1094 N LYS B 16 2.293 -5.844 -12.485 1.00 0.00 N ATOM 1095 CA LYS B 16 2.420 -7.156 -13.143 1.00 0.00 C ATOM 1096 C LYS B 16 1.379 -8.180 -12.682 1.00 0.00 C ATOM 1097 O LYS B 16 0.858 -8.937 -13.498 1.00 0.00 O ATOM 1098 CB LYS B 16 3.824 -7.718 -12.904 1.00 0.00 C ATOM 1099 CG LYS B 16 4.818 -7.197 -13.952 1.00 0.00 C ATOM 1100 CD LYS B 16 6.197 -7.850 -13.793 1.00 0.00 C ATOM 1101 CE LYS B 16 7.083 -7.498 -14.995 1.00 0.00 C ATOM 1102 NZ LYS B 16 8.408 -8.167 -14.917 1.00 0.00 N ATOM 0 H LYS B 16 3.142 -5.548 -12.004 1.00 0.00 H new ATOM 0 HA LYS B 16 2.243 -6.985 -14.205 1.00 0.00 H new ATOM 0 HB2 LYS B 16 4.165 -7.440 -11.907 1.00 0.00 H new ATOM 0 HB3 LYS B 16 3.793 -8.807 -12.938 1.00 0.00 H new ATOM 0 HG2 LYS B 16 4.433 -7.397 -14.952 1.00 0.00 H new ATOM 0 HG3 LYS B 16 4.914 -6.115 -13.858 1.00 0.00 H new ATOM 0 HD2 LYS B 16 6.667 -7.508 -12.871 1.00 0.00 H new ATOM 0 HD3 LYS B 16 6.090 -8.932 -13.714 1.00 0.00 H new ATOM 0 HE2 LYS B 16 6.580 -7.793 -15.916 1.00 0.00 H new ATOM 0 HE3 LYS B 16 7.223 -6.418 -15.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 8.978 -7.905 -15.746 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 8.898 -7.866 -14.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 8.276 -9.198 -14.900 1.00 0.00 H new ATOM 1116 N LEU B 17 1.046 -8.201 -11.395 1.00 0.00 N ATOM 1117 CA LEU B 17 0.069 -9.119 -10.822 1.00 0.00 C ATOM 1118 C LEU B 17 -1.351 -8.646 -11.121 1.00 0.00 C ATOM 1119 O LEU B 17 -2.195 -9.442 -11.525 1.00 0.00 O ATOM 1120 CB LEU B 17 0.318 -9.182 -9.312 1.00 0.00 C ATOM 1121 CG LEU B 17 1.693 -9.761 -8.977 1.00 0.00 C ATOM 1122 CD1 LEU B 17 2.053 -9.493 -7.519 1.00 0.00 C ATOM 1123 CD2 LEU B 17 1.778 -11.266 -9.235 1.00 0.00 C ATOM 0 H LEU B 17 1.456 -7.568 -10.708 1.00 0.00 H new ATOM 0 HA LEU B 17 0.177 -10.111 -11.260 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.235 -8.181 -8.890 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.455 -9.791 -8.843 1.00 0.00 H new ATOM 0 HG LEU B 17 2.400 -9.261 -9.638 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.035 -9.914 -7.303 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.072 -8.418 -7.341 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.310 -9.956 -6.870 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.776 -11.623 -8.980 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.040 -11.783 -8.621 1.00 0.00 H new ATOM 0 HD23 LEU B 17 1.579 -11.466 -10.288 1.00 0.00 H new ATOM 1135 N TYR B 18 -1.581 -7.338 -11.000 1.00 0.00 N ATOM 1136 CA TYR B 18 -2.852 -6.695 -11.291 1.00 0.00 C ATOM 1137 C TYR B 18 -3.272 -6.827 -12.764 1.00 0.00 C ATOM 1138 O TYR B 18 -4.469 -6.890 -13.043 1.00 0.00 O ATOM 1139 CB TYR B 18 -2.749 -5.219 -10.895 1.00 0.00 C ATOM 1140 CG TYR B 18 -2.706 -4.899 -9.407 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -3.639 -5.475 -8.521 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -1.776 -3.961 -8.915 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -3.601 -5.161 -7.149 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -1.726 -3.659 -7.542 1.00 0.00 C ATOM 1145 CZ TYR B 18 -2.622 -4.274 -6.649 1.00 0.00 C ATOM 1146 OH TYR B 18 -2.562 -3.971 -5.323 1.00 0.00 O ATOM 0 H TYR B 18 -0.864 -6.683 -10.688 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.626 -7.199 -10.713 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.850 -4.808 -11.355 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -3.599 -4.693 -11.329 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.386 -6.160 -8.896 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.097 -3.471 -9.597 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -4.323 -5.600 -6.476 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.997 -2.953 -7.172 1.00 0.00 H new ATOM 0 HH TYR B 18 -1.857 -4.503 -4.898 1.00 0.00 H new ATOM 1156 N ARG B 19 -2.318 -6.903 -13.710 1.00 0.00 N ATOM 1157 CA ARG B 19 -2.622 -7.144 -15.135 1.00 0.00 C ATOM 1158 C ARG B 19 -2.794 -8.629 -15.486 1.00 0.00 C ATOM 1159 O ARG B 19 -3.511 -8.942 -16.435 1.00 0.00 O ATOM 1160 CB ARG B 19 -1.597 -6.437 -16.049 1.00 0.00 C ATOM 1161 CG ARG B 19 -0.269 -7.191 -16.222 1.00 0.00 C ATOM 1162 CD ARG B 19 0.708 -6.492 -17.175 1.00 0.00 C ATOM 1163 NE ARG B 19 1.585 -5.522 -16.485 1.00 0.00 N ATOM 1164 CZ ARG B 19 2.708 -5.025 -16.980 1.00 0.00 C ATOM 1165 NH1 ARG B 19 3.074 -5.240 -18.212 1.00 0.00 N ATOM 1166 NH2 ARG B 19 3.510 -4.306 -16.251 1.00 0.00 N ATOM 0 H ARG B 19 -1.323 -6.800 -13.512 1.00 0.00 H new ATOM 0 HA ARG B 19 -3.599 -6.698 -15.321 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -2.046 -6.289 -17.031 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -1.388 -5.448 -15.642 1.00 0.00 H new ATOM 0 HG2 ARG B 19 0.205 -7.305 -15.247 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -0.475 -8.194 -16.596 1.00 0.00 H new ATOM 0 HD2 ARG B 19 1.323 -7.242 -17.672 1.00 0.00 H new ATOM 0 HD3 ARG B 19 0.144 -5.976 -17.952 1.00 0.00 H new ATOM 0 HE ARG B 19 1.303 -5.212 -15.555 1.00 0.00 H new ATOM 0 HH11 ARG B 19 2.489 -5.806 -18.826 1.00 0.00 H new ATOM 0 HH12 ARG B 19 3.946 -4.842 -18.562 1.00 0.00 H new ATOM 0 HH21 ARG B 19 3.279 -4.115 -15.276 1.00 0.00 H new ATOM 0 HH22 ARG B 19 4.370 -3.934 -16.654 1.00 0.00 H new ATOM 1180 N GLU B 20 -2.149 -9.541 -14.751 1.00 0.00 N ATOM 1181 CA GLU B 20 -2.153 -10.982 -15.070 1.00 0.00 C ATOM 1182 C GLU B 20 -3.341 -11.702 -14.424 1.00 0.00 C ATOM 1183 O GLU B 20 -4.227 -12.233 -15.097 1.00 0.00 O ATOM 1184 CB GLU B 20 -0.835 -11.604 -14.577 1.00 0.00 C ATOM 1185 CG GLU B 20 -0.601 -13.007 -15.152 1.00 0.00 C ATOM 1186 CD GLU B 20 0.769 -13.565 -14.720 1.00 0.00 C ATOM 1187 OE1 GLU B 20 0.862 -14.188 -13.635 1.00 0.00 O ATOM 1188 OE2 GLU B 20 1.760 -13.401 -15.473 1.00 0.00 O ATOM 0 H GLU B 20 -1.609 -9.307 -13.918 1.00 0.00 H new ATOM 0 HA GLU B 20 -2.248 -11.097 -16.150 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -0.004 -10.956 -14.856 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -0.846 -11.657 -13.488 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.392 -13.677 -14.816 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -0.655 -12.971 -16.240 1.00 0.00 H new ATOM 1195 N ALA B 21 -3.370 -11.661 -13.096 1.00 0.00 N ATOM 1196 CA ALA B 21 -4.424 -12.187 -12.230 1.00 0.00 C ATOM 1197 C ALA B 21 -5.649 -11.251 -12.207 1.00 0.00 C ATOM 1198 O ALA B 21 -6.024 -10.695 -11.175 1.00 0.00 O ATOM 1199 CB ALA B 21 -3.818 -12.450 -10.849 1.00 0.00 C ATOM 0 H ALA B 21 -2.613 -11.234 -12.561 1.00 0.00 H new ATOM 0 HA ALA B 21 -4.807 -13.132 -12.616 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -4.586 -12.844 -10.184 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -3.009 -13.175 -10.939 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -3.426 -11.519 -10.440 1.00 0.00 H new ATOM 1205 N SER B 22 -6.264 -11.074 -13.378 1.00 0.00 N ATOM 1206 CA SER B 22 -7.449 -10.233 -13.604 1.00 0.00 C ATOM 1207 C SER B 22 -8.491 -10.964 -14.440 1.00 0.00 C ATOM 1208 O SER B 22 -9.662 -11.017 -14.070 1.00 0.00 O ATOM 1209 CB SER B 22 -7.030 -8.947 -14.323 1.00 0.00 C ATOM 1210 OG SER B 22 -8.013 -7.935 -14.178 1.00 0.00 O ATOM 0 H SER B 22 -5.940 -11.529 -14.231 1.00 0.00 H new ATOM 0 HA SER B 22 -7.891 -9.995 -12.636 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.080 -8.595 -13.921 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.871 -9.154 -15.381 1.00 0.00 H new ATOM 0 HG SER B 22 -7.720 -7.125 -14.645 1.00 0.00 H new ATOM 1216 N GLU B 23 -8.055 -11.601 -15.530 1.00 0.00 N ATOM 1217 CA GLU B 23 -8.919 -12.390 -16.424 1.00 0.00 C ATOM 1218 C GLU B 23 -9.616 -13.564 -15.707 1.00 0.00 C ATOM 1219 O GLU B 23 -10.796 -13.827 -15.958 1.00 0.00 O ATOM 1220 CB GLU B 23 -8.082 -12.874 -17.622 1.00 0.00 C ATOM 1221 CG GLU B 23 -8.936 -13.524 -18.719 1.00 0.00 C ATOM 1222 CD GLU B 23 -8.085 -13.850 -19.963 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -7.494 -14.956 -20.029 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -8.009 -13.007 -20.891 1.00 0.00 O ATOM 0 H GLU B 23 -7.078 -11.585 -15.824 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.727 -11.747 -16.774 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.538 -12.029 -18.044 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -7.338 -13.591 -17.274 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -9.392 -14.437 -18.336 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -9.750 -12.854 -18.996 1.00 0.00 H new ATOM 1231 N ARG B 24 -8.920 -14.239 -14.775 1.00 0.00 N ATOM 1232 CA ARG B 24 -9.503 -15.299 -13.927 1.00 0.00 C ATOM 1233 C ARG B 24 -10.253 -14.756 -12.703 1.00 0.00 C ATOM 1234 O ARG B 24 -11.267 -15.332 -12.305 1.00 0.00 O ATOM 1235 CB ARG B 24 -8.422 -16.294 -13.462 1.00 0.00 C ATOM 1236 CG ARG B 24 -7.689 -16.987 -14.626 1.00 0.00 C ATOM 1237 CD ARG B 24 -7.012 -18.295 -14.188 1.00 0.00 C ATOM 1238 NE ARG B 24 -6.038 -18.097 -13.092 1.00 0.00 N ATOM 1239 CZ ARG B 24 -5.721 -18.967 -12.147 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -6.244 -20.161 -12.092 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -4.859 -18.653 -11.223 1.00 0.00 N ATOM 0 H ARG B 24 -7.933 -14.065 -14.587 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.231 -15.809 -14.557 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.694 -15.767 -12.846 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.884 -17.052 -12.830 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -8.399 -17.197 -15.426 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -6.939 -16.310 -15.035 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -7.775 -19.004 -13.866 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -6.504 -18.740 -15.044 1.00 0.00 H new ATOM 0 HE ARG B 24 -5.561 -17.196 -13.062 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -6.924 -20.453 -12.794 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -5.973 -20.803 -11.347 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -4.423 -17.731 -11.224 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -4.620 -19.329 -10.498 1.00 0.00 H new ATOM 1255 N VAL B 25 -9.758 -13.670 -12.098 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.290 -13.114 -10.835 1.00 0.00 C ATOM 1257 C VAL B 25 -11.609 -12.351 -11.042 1.00 0.00 C ATOM 1258 O VAL B 25 -12.570 -12.565 -10.304 1.00 0.00 O ATOM 1259 CB VAL B 25 -9.233 -12.236 -10.140 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -9.726 -11.678 -8.800 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -7.953 -13.037 -9.855 1.00 0.00 C ATOM 0 H VAL B 25 -8.968 -13.142 -12.470 1.00 0.00 H new ATOM 0 HA VAL B 25 -10.519 -13.955 -10.181 1.00 0.00 H new ATOM 0 HB VAL B 25 -9.035 -11.414 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -8.944 -11.066 -8.351 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -10.614 -11.068 -8.965 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -9.971 -12.503 -8.131 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -7.223 -12.394 -9.364 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -8.188 -13.880 -9.206 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -7.538 -13.406 -10.793 1.00 0.00 H new ATOM 1271 N GLY B 26 -11.688 -11.502 -12.073 1.00 0.00 N ATOM 1272 CA GLY B 26 -12.920 -10.871 -12.569 1.00 0.00 C ATOM 1273 C GLY B 26 -13.555 -9.757 -11.714 1.00 0.00 C ATOM 1274 O GLY B 26 -14.530 -9.149 -12.159 1.00 0.00 O ATOM 0 H GLY B 26 -10.864 -11.224 -12.607 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -12.710 -10.457 -13.555 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -13.666 -11.654 -12.705 1.00 0.00 H new ATOM 1278 N ASP B 27 -13.054 -9.469 -10.507 1.00 0.00 N ATOM 1279 CA ASP B 27 -13.623 -8.441 -9.616 1.00 0.00 C ATOM 1280 C ASP B 27 -13.481 -7.003 -10.179 1.00 0.00 C ATOM 1281 O ASP B 27 -12.414 -6.650 -10.693 1.00 0.00 O ATOM 1282 CB ASP B 27 -12.975 -8.525 -8.224 1.00 0.00 C ATOM 1283 CG ASP B 27 -13.542 -9.688 -7.394 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -14.753 -9.658 -7.068 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -12.780 -10.620 -7.044 1.00 0.00 O ATOM 0 H ASP B 27 -12.239 -9.942 -10.116 1.00 0.00 H new ATOM 0 HA ASP B 27 -14.690 -8.649 -9.542 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -11.897 -8.649 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.136 -7.587 -7.692 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.508 -6.135 -10.055 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.497 -4.788 -10.639 1.00 0.00 C ATOM 1292 C PRO B 28 -13.585 -3.795 -9.898 1.00 0.00 C ATOM 1293 O PRO B 28 -13.028 -2.890 -10.519 1.00 0.00 O ATOM 1294 CB PRO B 28 -15.960 -4.330 -10.614 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.555 -5.082 -9.423 1.00 0.00 C ATOM 1296 CD PRO B 28 -15.806 -6.413 -9.450 1.00 0.00 C ATOM 0 HA PRO B 28 -14.082 -4.818 -11.646 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -16.039 -3.250 -10.486 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -16.474 -4.580 -11.542 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.395 -4.547 -8.487 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.631 -5.222 -9.530 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -15.689 -6.815 -8.443 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -16.354 -7.157 -10.028 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.390 -3.954 -8.582 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.504 -3.082 -7.781 1.00 0.00 C ATOM 1306 C VAL B 29 -11.017 -3.270 -8.115 1.00 0.00 C ATOM 1307 O VAL B 29 -10.226 -2.342 -7.975 1.00 0.00 O ATOM 1308 CB VAL B 29 -12.809 -3.240 -6.277 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -12.315 -4.562 -5.676 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -12.240 -2.082 -5.460 1.00 0.00 C ATOM 0 H VAL B 29 -13.840 -4.690 -8.037 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.721 -2.050 -8.054 1.00 0.00 H new ATOM 0 HB VAL B 29 -13.897 -3.239 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -12.567 -4.597 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.792 -5.396 -6.190 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.234 -4.634 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -12.476 -2.230 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -11.158 -2.043 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -12.679 -1.145 -5.802 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.639 -4.429 -8.662 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.307 -4.705 -9.209 1.00 0.00 C ATOM 1322 C LEU B 30 -8.917 -3.690 -10.303 1.00 0.00 C ATOM 1323 O LEU B 30 -7.789 -3.196 -10.325 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.338 -6.156 -9.729 1.00 0.00 C ATOM 1325 CG LEU B 30 -8.017 -6.930 -9.624 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -8.290 -8.388 -9.989 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -6.914 -6.405 -10.542 1.00 0.00 C ATOM 0 H LEU B 30 -11.271 -5.226 -8.739 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.539 -4.597 -8.443 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -10.103 -6.703 -9.178 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -9.647 -6.141 -10.774 1.00 0.00 H new ATOM 0 HG LEU B 30 -7.659 -6.810 -8.601 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -7.364 -8.959 -9.922 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -9.024 -8.804 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -8.676 -8.442 -11.007 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -6.014 -7.005 -10.409 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -7.243 -6.470 -11.579 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -6.698 -5.366 -10.294 1.00 0.00 H new ATOM 1339 N ALA B 31 -9.875 -3.300 -11.154 1.00 0.00 N ATOM 1340 CA ALA B 31 -9.681 -2.242 -12.145 1.00 0.00 C ATOM 1341 C ALA B 31 -9.403 -0.870 -11.496 1.00 0.00 C ATOM 1342 O ALA B 31 -8.543 -0.132 -11.973 1.00 0.00 O ATOM 1343 CB ALA B 31 -10.900 -2.195 -13.075 1.00 0.00 C ATOM 0 H ALA B 31 -10.808 -3.713 -11.172 1.00 0.00 H new ATOM 0 HA ALA B 31 -8.792 -2.476 -12.730 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -10.762 -1.408 -13.816 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -11.009 -3.155 -13.580 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -11.796 -1.989 -12.490 1.00 0.00 H new ATOM 1349 N LYS B 32 -10.073 -0.533 -10.383 1.00 0.00 N ATOM 1350 CA LYS B 32 -9.834 0.718 -9.630 1.00 0.00 C ATOM 1351 C LYS B 32 -8.435 0.757 -9.004 1.00 0.00 C ATOM 1352 O LYS B 32 -7.745 1.769 -9.107 1.00 0.00 O ATOM 1353 CB LYS B 32 -10.922 0.928 -8.557 1.00 0.00 C ATOM 1354 CG LYS B 32 -12.361 0.982 -9.101 1.00 0.00 C ATOM 1355 CD LYS B 32 -12.593 2.161 -10.064 1.00 0.00 C ATOM 1356 CE LYS B 32 -14.064 2.295 -10.483 1.00 0.00 C ATOM 1357 NZ LYS B 32 -14.492 1.215 -11.412 1.00 0.00 N ATOM 0 H LYS B 32 -10.800 -1.120 -9.974 1.00 0.00 H new ATOM 0 HA LYS B 32 -9.889 1.539 -10.345 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -10.854 0.121 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -10.714 1.857 -8.025 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -12.584 0.048 -9.617 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -13.057 1.059 -8.266 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -12.269 3.086 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -11.976 2.028 -10.952 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -14.695 2.277 -9.594 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -14.216 3.263 -10.961 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -15.492 1.350 -11.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -13.910 1.247 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -14.374 0.291 -10.948 1.00 0.00 H new ATOM 1371 N ILE B 33 -7.990 -0.365 -8.433 1.00 0.00 N ATOM 1372 CA ILE B 33 -6.609 -0.566 -7.954 1.00 0.00 C ATOM 1373 C ILE B 33 -5.600 -0.340 -9.089 1.00 0.00 C ATOM 1374 O ILE B 33 -4.746 0.537 -8.970 1.00 0.00 O ATOM 1375 CB ILE B 33 -6.473 -1.934 -7.273 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -7.379 -1.951 -6.021 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -5.009 -2.145 -6.873 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -7.392 -3.286 -5.284 1.00 0.00 C ATOM 0 H ILE B 33 -8.587 -1.179 -8.285 1.00 0.00 H new ATOM 0 HA ILE B 33 -6.376 0.180 -7.194 1.00 0.00 H new ATOM 0 HB ILE B 33 -6.775 -2.734 -7.949 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.048 -1.172 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -8.398 -1.702 -6.319 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -4.901 -3.115 -6.388 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.380 -2.112 -7.763 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.703 -1.358 -6.184 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -8.050 -3.217 -4.418 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -7.753 -4.067 -5.953 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.382 -3.529 -4.954 1.00 0.00 H new ATOM 1390 N LEU B 34 -5.704 -1.066 -10.210 1.00 0.00 N ATOM 1391 CA LEU B 34 -4.713 -0.950 -11.289 1.00 0.00 C ATOM 1392 C LEU B 34 -4.716 0.428 -11.987 1.00 0.00 C ATOM 1393 O LEU B 34 -3.665 0.877 -12.435 1.00 0.00 O ATOM 1394 CB LEU B 34 -4.801 -2.168 -12.231 1.00 0.00 C ATOM 1395 CG LEU B 34 -5.893 -2.143 -13.314 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -5.434 -1.469 -14.610 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -6.309 -3.571 -13.675 1.00 0.00 C ATOM 0 H LEU B 34 -6.454 -1.732 -10.393 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.719 -0.982 -10.844 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.837 -2.282 -12.726 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.952 -3.058 -11.619 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.720 -1.573 -12.890 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.248 -1.482 -15.335 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -5.150 -0.437 -14.403 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.577 -2.007 -15.016 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.082 -3.542 -14.442 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.444 -4.118 -14.052 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.697 -4.072 -12.788 1.00 0.00 H new ATOM 1409 N GLU B 35 -5.846 1.141 -12.027 1.00 0.00 N ATOM 1410 CA GLU B 35 -5.953 2.507 -12.528 1.00 0.00 C ATOM 1411 C GLU B 35 -5.177 3.514 -11.661 1.00 0.00 C ATOM 1412 O GLU B 35 -4.551 4.433 -12.196 1.00 0.00 O ATOM 1413 CB GLU B 35 -7.442 2.859 -12.547 1.00 0.00 C ATOM 1414 CG GLU B 35 -8.144 2.436 -13.846 1.00 0.00 C ATOM 1415 CD GLU B 35 -8.351 3.626 -14.803 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -7.373 4.079 -15.444 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -9.501 4.118 -14.926 1.00 0.00 O ATOM 0 H GLU B 35 -6.737 0.768 -11.700 1.00 0.00 H new ATOM 0 HA GLU B 35 -5.513 2.565 -13.524 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -7.934 2.378 -11.702 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.557 3.935 -12.412 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -7.552 1.668 -14.345 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -9.110 1.990 -13.608 1.00 0.00 H new ATOM 1424 N ASP B 36 -5.168 3.340 -10.334 1.00 0.00 N ATOM 1425 CA ASP B 36 -4.379 4.164 -9.426 1.00 0.00 C ATOM 1426 C ASP B 36 -2.874 3.888 -9.572 1.00 0.00 C ATOM 1427 O ASP B 36 -2.073 4.822 -9.642 1.00 0.00 O ATOM 1428 CB ASP B 36 -4.803 3.850 -7.988 1.00 0.00 C ATOM 1429 CG ASP B 36 -6.183 4.373 -7.561 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -6.699 5.357 -8.143 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -6.715 3.808 -6.577 1.00 0.00 O ATOM 0 H ASP B 36 -5.713 2.618 -9.863 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.557 5.211 -9.670 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -4.790 2.768 -7.855 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -4.055 4.264 -7.312 1.00 0.00 H new ATOM 1436 N GLU B 37 -2.474 2.612 -9.649 1.00 0.00 N ATOM 1437 CA GLU B 37 -1.057 2.233 -9.748 1.00 0.00 C ATOM 1438 C GLU B 37 -0.375 2.725 -11.047 1.00 0.00 C ATOM 1439 O GLU B 37 0.848 2.867 -11.065 1.00 0.00 O ATOM 1440 CB GLU B 37 -0.861 0.715 -9.579 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.392 0.066 -8.287 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.799 0.544 -6.958 1.00 0.00 C ATOM 1443 OE1 GLU B 37 -0.005 1.514 -6.882 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -1.175 -0.006 -5.891 1.00 0.00 O ATOM 0 H GLU B 37 -3.116 1.819 -9.645 1.00 0.00 H new ATOM 0 HA GLU B 37 -0.563 2.744 -8.922 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -1.338 0.219 -10.424 1.00 0.00 H new ATOM 0 HB3 GLU B 37 0.206 0.505 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.470 0.224 -8.250 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -1.230 -1.009 -8.360 1.00 0.00 H new ATOM 1451 N GLU B 38 -1.125 3.044 -12.114 1.00 0.00 N ATOM 1452 CA GLU B 38 -0.577 3.741 -13.292 1.00 0.00 C ATOM 1453 C GLU B 38 -0.162 5.185 -12.963 1.00 0.00 C ATOM 1454 O GLU B 38 0.988 5.565 -13.191 1.00 0.00 O ATOM 1455 CB GLU B 38 -1.582 3.757 -14.458 1.00 0.00 C ATOM 1456 CG GLU B 38 -1.716 2.397 -15.151 1.00 0.00 C ATOM 1457 CD GLU B 38 -2.548 2.515 -16.443 1.00 0.00 C ATOM 1458 OE1 GLU B 38 -1.978 2.877 -17.503 1.00 0.00 O ATOM 1459 OE2 GLU B 38 -3.772 2.242 -16.417 1.00 0.00 O ATOM 0 H GLU B 38 -2.119 2.829 -12.186 1.00 0.00 H new ATOM 0 HA GLU B 38 0.309 3.182 -13.592 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -2.558 4.066 -14.085 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -1.270 4.502 -15.190 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -0.726 2.006 -15.386 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.188 1.685 -14.474 1.00 0.00 H new ATOM 1466 N LYS B 39 -1.061 5.992 -12.375 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.735 7.362 -11.933 1.00 0.00 C ATOM 1468 C LYS B 39 0.448 7.371 -10.965 1.00 0.00 C ATOM 1469 O LYS B 39 1.352 8.194 -11.102 1.00 0.00 O ATOM 1470 CB LYS B 39 -1.962 8.027 -11.286 1.00 0.00 C ATOM 1471 CG LYS B 39 -2.845 8.841 -12.243 1.00 0.00 C ATOM 1472 CD LYS B 39 -3.593 8.039 -13.326 1.00 0.00 C ATOM 1473 CE LYS B 39 -2.745 7.710 -14.564 1.00 0.00 C ATOM 1474 NZ LYS B 39 -2.379 8.923 -15.339 1.00 0.00 N ATOM 0 H LYS B 39 -2.027 5.718 -12.193 1.00 0.00 H new ATOM 0 HA LYS B 39 -0.449 7.935 -12.815 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -2.573 7.252 -10.823 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -1.620 8.683 -10.486 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -3.580 9.386 -11.651 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -2.220 9.584 -12.738 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -3.954 7.108 -12.889 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -4.470 8.605 -13.640 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -1.837 7.194 -14.252 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -3.297 7.024 -15.207 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -2.932 8.953 -16.219 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -2.583 9.771 -14.773 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -1.365 8.895 -15.568 1.00 0.00 H new ATOM 1488 N HIS B 40 0.494 6.402 -10.050 1.00 0.00 N ATOM 1489 CA HIS B 40 1.572 6.240 -9.080 1.00 0.00 C ATOM 1490 C HIS B 40 2.967 6.027 -9.683 1.00 0.00 C ATOM 1491 O HIS B 40 3.931 6.275 -8.969 1.00 0.00 O ATOM 1492 CB HIS B 40 1.274 5.044 -8.178 1.00 0.00 C ATOM 1493 CG HIS B 40 0.128 5.143 -7.203 1.00 0.00 C ATOM 1494 ND1 HIS B 40 -0.101 4.220 -6.169 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -0.810 6.130 -7.140 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -1.191 4.690 -5.523 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -1.631 5.828 -6.082 1.00 0.00 N ATOM 0 H HIS B 40 -0.234 5.693 -9.963 1.00 0.00 H new ATOM 0 HA HIS B 40 1.601 7.184 -8.536 1.00 0.00 H new ATOM 0 HB2 HIS B 40 1.089 4.183 -8.820 1.00 0.00 H new ATOM 0 HB3 HIS B 40 2.177 4.827 -7.607 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -0.892 6.984 -7.796 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.648 4.212 -4.669 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -2.436 6.374 -5.774 1.00 0.00 H new ATOM 1505 N ILE B 41 3.099 5.589 -10.944 1.00 0.00 N ATOM 1506 CA ILE B 41 4.378 5.282 -11.611 1.00 0.00 C ATOM 1507 C ILE B 41 4.824 6.458 -12.499 1.00 0.00 C ATOM 1508 O ILE B 41 6.017 6.741 -12.603 1.00 0.00 O ATOM 1509 CB ILE B 41 4.286 3.946 -12.407 1.00 0.00 C ATOM 1510 CG1 ILE B 41 5.578 3.118 -12.239 1.00 0.00 C ATOM 1511 CG2 ILE B 41 4.013 4.095 -13.916 1.00 0.00 C ATOM 1512 CD1 ILE B 41 5.542 2.280 -10.958 1.00 0.00 C ATOM 0 H ILE B 41 2.293 5.433 -11.549 1.00 0.00 H new ATOM 0 HA ILE B 41 5.143 5.144 -10.847 1.00 0.00 H new ATOM 0 HB ILE B 41 3.421 3.443 -11.974 1.00 0.00 H new ATOM 0 HG12 ILE B 41 5.707 2.463 -13.101 1.00 0.00 H new ATOM 0 HG13 ILE B 41 6.439 3.786 -12.215 1.00 0.00 H new ATOM 0 HG21 ILE B 41 3.968 3.108 -14.377 1.00 0.00 H new ATOM 0 HG22 ILE B 41 3.063 4.609 -14.065 1.00 0.00 H new ATOM 0 HG23 ILE B 41 4.815 4.673 -14.375 1.00 0.00 H new ATOM 0 HD11 ILE B 41 6.467 1.709 -10.870 1.00 0.00 H new ATOM 0 HD12 ILE B 41 5.439 2.938 -10.095 1.00 0.00 H new ATOM 0 HD13 ILE B 41 4.695 1.595 -10.995 1.00 0.00 H new ATOM 1524 N GLU B 42 3.873 7.200 -13.081 1.00 0.00 N ATOM 1525 CA GLU B 42 4.149 8.478 -13.750 1.00 0.00 C ATOM 1526 C GLU B 42 4.621 9.528 -12.734 1.00 0.00 C ATOM 1527 O GLU B 42 5.648 10.180 -12.939 1.00 0.00 O ATOM 1528 CB GLU B 42 2.901 8.983 -14.495 1.00 0.00 C ATOM 1529 CG GLU B 42 2.508 8.076 -15.669 1.00 0.00 C ATOM 1530 CD GLU B 42 1.398 8.723 -16.519 1.00 0.00 C ATOM 1531 OE1 GLU B 42 0.197 8.526 -16.214 1.00 0.00 O ATOM 1532 OE2 GLU B 42 1.718 9.437 -17.501 1.00 0.00 O ATOM 0 H GLU B 42 2.889 6.931 -13.101 1.00 0.00 H new ATOM 0 HA GLU B 42 4.944 8.315 -14.478 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.067 9.049 -13.796 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.087 9.991 -14.866 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.381 7.882 -16.292 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.166 7.113 -15.290 1.00 0.00 H new ATOM 1539 N TRP B 43 3.931 9.633 -11.592 1.00 0.00 N ATOM 1540 CA TRP B 43 4.368 10.443 -10.451 1.00 0.00 C ATOM 1541 C TRP B 43 5.704 9.958 -9.864 1.00 0.00 C ATOM 1542 O TRP B 43 6.502 10.782 -9.415 1.00 0.00 O ATOM 1543 CB TRP B 43 3.260 10.471 -9.385 1.00 0.00 C ATOM 1544 CG TRP B 43 1.953 11.102 -9.791 1.00 0.00 C ATOM 1545 CD1 TRP B 43 1.803 12.094 -10.702 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.600 10.820 -9.299 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.469 12.434 -10.810 1.00 0.00 N ATOM 1548 CE2 TRP B 43 -0.315 11.704 -9.947 1.00 0.00 C ATOM 1549 CE3 TRP B 43 0.043 9.913 -8.370 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -1.690 11.713 -9.670 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -1.334 9.922 -8.065 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -2.200 10.819 -8.714 1.00 0.00 C ATOM 0 H TRP B 43 3.045 9.153 -11.434 1.00 0.00 H new ATOM 0 HA TRP B 43 4.547 11.458 -10.805 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.061 9.446 -9.072 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.639 11.003 -8.512 1.00 0.00 H new ATOM 0 HD1 TRP B 43 2.607 12.551 -11.260 1.00 0.00 H new ATOM 0 HE1 TRP B 43 0.109 13.140 -11.452 1.00 0.00 H new ATOM 0 HE3 TRP B 43 0.687 9.196 -7.882 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -2.348 12.398 -10.185 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -1.725 9.236 -7.329 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.254 10.821 -8.478 1.00 0.00 H new ATOM 1563 N LEU B 44 5.988 8.649 -9.920 1.00 0.00 N ATOM 1564 CA LEU B 44 7.271 8.066 -9.488 1.00 0.00 C ATOM 1565 C LEU B 44 8.459 8.603 -10.293 1.00 0.00 C ATOM 1566 O LEU B 44 9.404 9.155 -9.735 1.00 0.00 O ATOM 1567 CB LEU B 44 7.180 6.542 -9.652 1.00 0.00 C ATOM 1568 CG LEU B 44 7.863 5.709 -8.585 1.00 0.00 C ATOM 1569 CD1 LEU B 44 7.488 4.252 -8.773 1.00 0.00 C ATOM 1570 CD2 LEU B 44 9.372 5.904 -8.545 1.00 0.00 C ATOM 0 H LEU B 44 5.327 7.955 -10.270 1.00 0.00 H new ATOM 0 HA LEU B 44 7.444 8.343 -8.448 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.127 6.263 -9.681 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.607 6.276 -10.619 1.00 0.00 H new ATOM 0 HG LEU B 44 7.507 6.053 -7.614 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.977 3.649 -8.008 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.407 4.141 -8.687 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.810 3.918 -9.759 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.799 5.280 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.801 5.622 -9.507 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.598 6.950 -8.340 1.00 0.00 H new ATOM 1582 N GLU B 45 8.389 8.469 -11.616 1.00 0.00 N ATOM 1583 CA GLU B 45 9.411 8.972 -12.542 1.00 0.00 C ATOM 1584 C GLU B 45 9.570 10.500 -12.417 1.00 0.00 C ATOM 1585 O GLU B 45 10.685 11.020 -12.335 1.00 0.00 O ATOM 1586 CB GLU B 45 9.009 8.575 -13.972 1.00 0.00 C ATOM 1587 CG GLU B 45 10.135 8.725 -15.005 1.00 0.00 C ATOM 1588 CD GLU B 45 11.239 7.665 -14.817 1.00 0.00 C ATOM 1589 OE1 GLU B 45 11.104 6.542 -15.360 1.00 0.00 O ATOM 1590 OE2 GLU B 45 12.257 7.952 -14.141 1.00 0.00 O ATOM 0 H GLU B 45 7.612 8.003 -12.085 1.00 0.00 H new ATOM 0 HA GLU B 45 10.377 8.531 -12.295 1.00 0.00 H new ATOM 0 HB2 GLU B 45 8.670 7.539 -13.968 1.00 0.00 H new ATOM 0 HB3 GLU B 45 8.162 9.187 -14.283 1.00 0.00 H new ATOM 0 HG2 GLU B 45 9.719 8.641 -16.009 1.00 0.00 H new ATOM 0 HG3 GLU B 45 10.571 9.721 -14.923 1.00 0.00 H new ATOM 1597 N THR B 46 8.442 11.214 -12.313 1.00 0.00 N ATOM 1598 CA THR B 46 8.392 12.675 -12.110 1.00 0.00 C ATOM 1599 C THR B 46 9.113 13.131 -10.830 1.00 0.00 C ATOM 1600 O THR B 46 9.686 14.221 -10.813 1.00 0.00 O ATOM 1601 CB THR B 46 6.940 13.186 -12.115 1.00 0.00 C ATOM 1602 OG1 THR B 46 6.290 12.829 -13.318 1.00 0.00 O ATOM 1603 CG2 THR B 46 6.817 14.709 -12.021 1.00 0.00 C ATOM 0 H THR B 46 7.517 10.787 -12.368 1.00 0.00 H new ATOM 0 HA THR B 46 8.928 13.115 -12.951 1.00 0.00 H new ATOM 0 HB THR B 46 6.489 12.727 -11.235 1.00 0.00 H new ATOM 0 HG1 THR B 46 5.923 11.924 -13.236 1.00 0.00 H new ATOM 0 HG21 THR B 46 5.764 14.990 -12.030 1.00 0.00 H new ATOM 0 HG22 THR B 46 7.277 15.055 -11.095 1.00 0.00 H new ATOM 0 HG23 THR B 46 7.323 15.168 -12.871 1.00 0.00 H new ATOM 1611 N ILE B 47 9.164 12.303 -9.774 1.00 0.00 N ATOM 1612 CA ILE B 47 9.814 12.633 -8.487 1.00 0.00 C ATOM 1613 C ILE B 47 11.337 12.847 -8.565 1.00 0.00 C ATOM 1614 O ILE B 47 11.957 13.357 -7.628 1.00 0.00 O ATOM 1615 CB ILE B 47 9.389 11.614 -7.389 1.00 0.00 C ATOM 1616 CG1 ILE B 47 8.898 12.313 -6.103 1.00 0.00 C ATOM 1617 CG2 ILE B 47 10.481 10.593 -7.012 1.00 0.00 C ATOM 1618 CD1 ILE B 47 7.547 13.021 -6.279 1.00 0.00 C ATOM 0 H ILE B 47 8.750 11.371 -9.787 1.00 0.00 H new ATOM 0 HA ILE B 47 9.445 13.618 -8.200 1.00 0.00 H new ATOM 0 HB ILE B 47 8.569 11.064 -7.850 1.00 0.00 H new ATOM 0 HG12 ILE B 47 8.813 11.575 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE B 47 9.644 13.041 -5.785 1.00 0.00 H new ATOM 0 HG21 ILE B 47 10.101 9.922 -6.241 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.758 10.014 -7.893 1.00 0.00 H new ATOM 0 HG23 ILE B 47 11.357 11.120 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE B 47 7.258 13.492 -5.340 1.00 0.00 H new ATOM 0 HD12 ILE B 47 7.633 13.782 -7.055 1.00 0.00 H new ATOM 0 HD13 ILE B 47 6.789 12.293 -6.568 1.00 0.00 H new ATOM 1630 N ASN B 48 11.933 12.481 -9.698 1.00 0.00 N ATOM 1631 CA ASN B 48 13.378 12.505 -9.962 1.00 0.00 C ATOM 1632 C ASN B 48 13.748 12.978 -11.389 1.00 0.00 C ATOM 1633 O ASN B 48 14.919 12.940 -11.778 1.00 0.00 O ATOM 1634 CB ASN B 48 13.913 11.097 -9.646 1.00 0.00 C ATOM 1635 CG ASN B 48 15.415 11.056 -9.413 1.00 0.00 C ATOM 1636 OD1 ASN B 48 16.177 10.461 -10.163 1.00 0.00 O ATOM 1637 ND2 ASN B 48 15.891 11.668 -8.350 1.00 0.00 N ATOM 0 H ASN B 48 11.399 12.143 -10.498 1.00 0.00 H new ATOM 0 HA ASN B 48 13.851 13.250 -9.323 1.00 0.00 H new ATOM 0 HB2 ASN B 48 13.406 10.715 -8.760 1.00 0.00 H new ATOM 0 HB3 ASN B 48 13.663 10.429 -10.470 1.00 0.00 H new ATOM 0 HD21 ASN B 48 16.892 11.645 -8.154 1.00 0.00 H new ATOM 0 HD22 ASN B 48 15.259 12.165 -7.722 1.00 0.00 H new ATOM 1644 N GLY B 49 12.760 13.441 -12.164 1.00 0.00 N ATOM 1645 CA GLY B 49 12.907 13.909 -13.553 1.00 0.00 C ATOM 1646 C GLY B 49 11.727 14.755 -14.032 1.00 0.00 C ATOM 1647 O GLY B 49 11.722 15.974 -13.746 1.00 0.00 O ATOM 1648 OXT GLY B 49 10.830 14.202 -14.704 1.00 0.00 O ATOM 0 H GLY B 49 11.798 13.504 -11.831 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.823 14.494 -13.637 1.00 0.00 H new ATOM 0 HA3 GLY B 49 13.018 13.047 -14.210 1.00 0.00 H new TER 1652 GLY B 49 HETATM 1653 ZN ZN A 50 -2.365 -0.318 -4.492 1.00 0.00 ZN HETATM 1654 ZN ZN B 150 0.985 2.478 -5.746 1.00 0.00 ZN