USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 hydrogens (9 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 SER OG : rot -142:sc= 1.82 USER MOD Set 1.2: A 59 LYS NZ :NH3+ -102:sc= 1.18 (180deg=-1.47!) USER MOD Set 2.1: A 30 SER OG : rot 111:sc= 0.997 USER MOD Set 2.2: A 72 THR OG1 : rot 173:sc= 1.01 USER MOD Set 3.1: A 29 SER OG : rot 180:sc= -1.36! USER MOD Set 3.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 25 GLN : amide:sc= -0.85 X(o=-1.1,f=-1.1) USER MOD Set 4.2: A 68 GLN : amide:sc= -0.298 K(o=-1.1,f=-2.2) USER MOD Single : A 1 GLY N :NH3+ 176:sc= -0.127 (180deg=-0.22) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 7 SER OG : rot -66:sc= 1.09 USER MOD Single : A 9 HIS : no HD1:sc= -0.956 X(o=-0.96,f=-0.55) USER MOD Single : A 13 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0737) USER MOD Single : A 18 TYR OH : rot 28:sc= 0.633 USER MOD Single : A 19 GLN : amide:sc= -15.1! C(o=-15!,f=-20!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -34:sc= 0.277 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= -1.38 F(o=-2.6,f=-1.4) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.118) USER MOD Single : A 47 THR OG1 : rot 170:sc= 0.622 USER MOD Single : A 52 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= -0.0193 (180deg=-0.195) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -3.13! C(o=-3.1!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.558 -8.637 -18.081 1.00 0.00 N ATOM 2 CA GLY A 1 -11.245 -8.143 -16.710 1.00 0.00 C ATOM 3 C GLY A 1 -12.423 -7.324 -16.179 1.00 0.00 C ATOM 4 O GLY A 1 -12.309 -6.621 -15.195 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.731 -9.136 -18.467 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.367 -9.289 -18.039 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.794 -7.831 -18.695 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.045 -8.984 -16.046 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.343 -7.531 -16.730 1.00 0.00 H new ATOM 7 N ASP A 2 -13.555 -7.409 -16.824 1.00 0.00 N ATOM 8 CA ASP A 2 -14.740 -6.634 -16.355 1.00 0.00 C ATOM 9 C ASP A 2 -15.895 -7.583 -16.025 1.00 0.00 C ATOM 10 O ASP A 2 -16.850 -7.210 -15.373 1.00 0.00 O ATOM 11 CB ASP A 2 -15.110 -5.728 -17.530 1.00 0.00 C ATOM 12 CG ASP A 2 -15.292 -6.574 -18.790 1.00 0.00 C ATOM 13 OD1 ASP A 2 -14.291 -6.972 -19.363 1.00 0.00 O ATOM 14 OD2 ASP A 2 -16.430 -6.811 -19.162 1.00 0.00 O ATOM 0 H ASP A 2 -13.711 -7.981 -17.654 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.529 -6.063 -15.450 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.029 -5.185 -17.308 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.330 -4.984 -17.689 1.00 0.00 H new ATOM 19 N THR A 3 -15.816 -8.807 -16.470 1.00 0.00 N ATOM 20 CA THR A 3 -16.911 -9.777 -16.180 1.00 0.00 C ATOM 21 C THR A 3 -18.218 -9.308 -16.823 1.00 0.00 C ATOM 22 O THR A 3 -18.394 -8.142 -17.114 1.00 0.00 O ATOM 23 CB THR A 3 -17.037 -9.789 -14.657 1.00 0.00 C ATOM 24 OG1 THR A 3 -15.784 -9.453 -14.077 1.00 0.00 O ATOM 25 CG2 THR A 3 -17.462 -11.181 -14.188 1.00 0.00 C ATOM 0 H THR A 3 -15.042 -9.178 -17.021 1.00 0.00 H new ATOM 0 HA THR A 3 -16.700 -10.769 -16.579 1.00 0.00 H new ATOM 0 HB THR A 3 -17.787 -9.061 -14.349 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.864 -9.459 -13.100 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.551 -11.187 -13.102 1.00 0.00 H new ATOM 0 HG22 THR A 3 -18.424 -11.437 -14.633 1.00 0.00 H new ATOM 0 HG23 THR A 3 -16.714 -11.912 -14.495 1.00 0.00 H new ATOM 33 N LEU A 4 -19.136 -10.209 -17.048 1.00 0.00 N ATOM 34 CA LEU A 4 -20.431 -9.814 -17.672 1.00 0.00 C ATOM 35 C LEU A 4 -21.599 -10.434 -16.901 1.00 0.00 C ATOM 36 O LEU A 4 -21.944 -11.583 -17.096 1.00 0.00 O ATOM 37 CB LEU A 4 -20.370 -10.372 -19.094 1.00 0.00 C ATOM 38 CG LEU A 4 -19.787 -9.315 -20.034 1.00 0.00 C ATOM 39 CD1 LEU A 4 -18.915 -9.995 -21.090 1.00 0.00 C ATOM 40 CD2 LEU A 4 -20.927 -8.563 -20.724 1.00 0.00 C ATOM 0 H LEU A 4 -19.045 -11.201 -16.827 1.00 0.00 H new ATOM 0 HA LEU A 4 -20.583 -8.735 -17.664 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -19.756 -11.272 -19.116 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -21.368 -10.659 -19.426 1.00 0.00 H new ATOM 0 HG LEU A 4 -19.182 -8.614 -19.460 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -18.500 -9.241 -21.759 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -18.103 -10.532 -20.600 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -19.520 -10.697 -21.664 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -20.513 -7.810 -21.394 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -21.532 -9.266 -21.297 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -21.550 -8.077 -19.973 1.00 0.00 H new ATOM 52 N GLY A 5 -22.212 -9.682 -16.028 1.00 0.00 N ATOM 53 CA GLY A 5 -23.357 -10.231 -15.246 1.00 0.00 C ATOM 54 C GLY A 5 -22.958 -10.360 -13.775 1.00 0.00 C ATOM 55 O GLY A 5 -23.049 -9.419 -13.012 1.00 0.00 O ATOM 0 H GLY A 5 -21.970 -8.713 -15.822 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -24.223 -9.577 -15.342 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -23.647 -11.204 -15.641 1.00 0.00 H new ATOM 59 N ALA A 6 -22.514 -11.519 -13.371 1.00 0.00 N ATOM 60 CA ALA A 6 -22.109 -11.707 -11.948 1.00 0.00 C ATOM 61 C ALA A 6 -21.205 -12.935 -11.813 1.00 0.00 C ATOM 62 O ALA A 6 -21.484 -13.986 -12.355 1.00 0.00 O ATOM 63 CB ALA A 6 -23.419 -11.918 -11.188 1.00 0.00 C ATOM 0 H ALA A 6 -22.414 -12.343 -13.964 1.00 0.00 H new ATOM 0 HA ALA A 6 -21.547 -10.856 -11.562 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -23.206 -12.064 -10.129 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -24.057 -11.043 -11.312 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -23.930 -12.798 -11.580 1.00 0.00 H new ATOM 69 N SER A 7 -20.123 -12.811 -11.093 1.00 0.00 N ATOM 70 CA SER A 7 -19.202 -13.972 -10.923 1.00 0.00 C ATOM 71 C SER A 7 -18.958 -14.241 -9.436 1.00 0.00 C ATOM 72 O SER A 7 -18.104 -13.636 -8.818 1.00 0.00 O ATOM 73 CB SER A 7 -17.904 -13.550 -11.611 1.00 0.00 C ATOM 74 OG SER A 7 -16.798 -13.961 -10.817 1.00 0.00 O ATOM 0 H SER A 7 -19.837 -11.956 -10.615 1.00 0.00 H new ATOM 0 HA SER A 7 -19.610 -14.889 -11.348 1.00 0.00 H new ATOM 0 HB2 SER A 7 -17.842 -13.999 -12.602 1.00 0.00 H new ATOM 0 HB3 SER A 7 -17.886 -12.469 -11.749 1.00 0.00 H new ATOM 0 HG SER A 7 -16.797 -13.461 -9.974 1.00 0.00 H new ATOM 80 N TRP A 8 -19.702 -15.144 -8.857 1.00 0.00 N ATOM 81 CA TRP A 8 -19.511 -15.451 -7.410 1.00 0.00 C ATOM 82 C TRP A 8 -18.677 -16.723 -7.245 1.00 0.00 C ATOM 83 O TRP A 8 -19.056 -17.788 -7.691 1.00 0.00 O ATOM 84 CB TRP A 8 -20.923 -15.658 -6.859 1.00 0.00 C ATOM 85 CG TRP A 8 -20.980 -15.185 -5.442 1.00 0.00 C ATOM 86 CD1 TRP A 8 -20.284 -14.136 -4.945 1.00 0.00 C ATOM 87 CD2 TRP A 8 -21.761 -15.720 -4.335 1.00 0.00 C ATOM 88 NE1 TRP A 8 -20.589 -13.993 -3.604 1.00 0.00 N ATOM 89 CE2 TRP A 8 -21.494 -14.945 -3.180 1.00 0.00 C ATOM 90 CE3 TRP A 8 -22.666 -16.790 -4.220 1.00 0.00 C ATOM 91 CZ2 TRP A 8 -22.103 -15.224 -1.955 1.00 0.00 C ATOM 92 CZ3 TRP A 8 -23.281 -17.072 -2.989 1.00 0.00 C ATOM 93 CH2 TRP A 8 -23.000 -16.292 -1.860 1.00 0.00 C ATOM 0 H TRP A 8 -20.433 -15.682 -9.322 1.00 0.00 H new ATOM 0 HA TRP A 8 -18.982 -14.656 -6.885 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -21.645 -15.111 -7.465 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -21.195 -16.712 -6.913 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -19.602 -13.513 -5.504 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -20.193 -13.272 -3.001 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -22.890 -17.399 -5.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -21.883 -14.619 -1.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -23.975 -17.896 -2.913 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -23.476 -16.516 -0.917 1.00 0.00 H new ATOM 104 N HIS A 9 -17.543 -16.622 -6.606 1.00 0.00 N ATOM 105 CA HIS A 9 -16.687 -17.827 -6.414 1.00 0.00 C ATOM 106 C HIS A 9 -16.184 -17.892 -4.969 1.00 0.00 C ATOM 107 O HIS A 9 -16.273 -16.934 -4.227 1.00 0.00 O ATOM 108 CB HIS A 9 -15.517 -17.641 -7.381 1.00 0.00 C ATOM 109 CG HIS A 9 -14.602 -16.566 -6.862 1.00 0.00 C ATOM 110 ND1 HIS A 9 -13.267 -16.805 -6.576 1.00 0.00 N ATOM 111 CD2 HIS A 9 -14.815 -15.241 -6.570 1.00 0.00 C ATOM 112 CE1 HIS A 9 -12.733 -15.653 -6.134 1.00 0.00 C ATOM 113 NE2 HIS A 9 -13.633 -14.667 -6.110 1.00 0.00 N ATOM 0 H HIS A 9 -17.173 -15.758 -6.209 1.00 0.00 H new ATOM 0 HA HIS A 9 -17.229 -18.753 -6.604 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -14.970 -18.577 -7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -15.888 -17.371 -8.370 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -15.756 -14.723 -6.680 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.702 -15.539 -5.835 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.486 -13.701 -5.818 1.00 0.00 H new ATOM 121 N ARG A 10 -15.654 -19.014 -4.566 1.00 0.00 N ATOM 122 CA ARG A 10 -15.146 -19.140 -3.170 1.00 0.00 C ATOM 123 C ARG A 10 -14.068 -18.085 -2.905 1.00 0.00 C ATOM 124 O ARG A 10 -13.431 -17.603 -3.821 1.00 0.00 O ATOM 125 CB ARG A 10 -14.551 -20.545 -3.091 1.00 0.00 C ATOM 126 CG ARG A 10 -15.677 -21.567 -2.923 1.00 0.00 C ATOM 127 CD ARG A 10 -15.724 -22.481 -4.150 1.00 0.00 C ATOM 128 NE ARG A 10 -15.680 -23.864 -3.599 1.00 0.00 N ATOM 129 CZ ARG A 10 -16.417 -24.801 -4.129 1.00 0.00 C ATOM 130 NH1 ARG A 10 -16.783 -24.715 -5.379 1.00 0.00 N ATOM 131 NH2 ARG A 10 -16.790 -25.824 -3.410 1.00 0.00 N ATOM 0 H ARG A 10 -15.551 -19.849 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.930 -18.988 -2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.981 -20.761 -3.994 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.857 -20.611 -2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.514 -22.158 -2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.632 -21.055 -2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.631 -22.316 -4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.881 -22.294 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.074 -24.079 -2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.493 -23.915 -5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.359 -25.448 -5.793 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.505 -25.891 -2.433 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.366 -26.556 -3.825 1.00 0.00 H new ATOM 145 N PRO A 11 -13.901 -17.764 -1.651 1.00 0.00 N ATOM 146 CA PRO A 11 -12.890 -16.756 -1.250 1.00 0.00 C ATOM 147 C PRO A 11 -11.480 -17.338 -1.376 1.00 0.00 C ATOM 148 O PRO A 11 -11.152 -18.335 -0.761 1.00 0.00 O ATOM 149 CB PRO A 11 -13.231 -16.468 0.209 1.00 0.00 C ATOM 150 CG PRO A 11 -13.938 -17.695 0.691 1.00 0.00 C ATOM 151 CD PRO A 11 -14.632 -18.304 -0.500 1.00 0.00 C ATOM 0 HA PRO A 11 -12.906 -15.860 -1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.332 -16.275 0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.865 -15.586 0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.231 -18.401 1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.658 -17.444 1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.588 -19.393 -0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.686 -18.029 -0.532 1.00 0.00 H new ATOM 159 N ASP A 12 -10.642 -16.727 -2.167 1.00 0.00 N ATOM 160 CA ASP A 12 -9.255 -17.248 -2.330 1.00 0.00 C ATOM 161 C ASP A 12 -8.329 -16.138 -2.835 1.00 0.00 C ATOM 162 O ASP A 12 -7.731 -15.416 -2.063 1.00 0.00 O ATOM 163 CB ASP A 12 -9.370 -18.364 -3.369 1.00 0.00 C ATOM 164 CG ASP A 12 -7.974 -18.864 -3.741 1.00 0.00 C ATOM 165 OD1 ASP A 12 -7.025 -18.440 -3.100 1.00 0.00 O ATOM 166 OD2 ASP A 12 -7.875 -19.661 -4.659 1.00 0.00 O ATOM 0 H ASP A 12 -10.857 -15.889 -2.708 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.836 -17.608 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.967 -19.185 -2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.884 -17.996 -4.257 1.00 0.00 H new ATOM 171 N LYS A 13 -8.206 -15.996 -4.126 1.00 0.00 N ATOM 172 CA LYS A 13 -7.319 -14.933 -4.678 1.00 0.00 C ATOM 173 C LYS A 13 -7.968 -13.558 -4.499 1.00 0.00 C ATOM 174 O LYS A 13 -9.114 -13.351 -4.848 1.00 0.00 O ATOM 175 CB LYS A 13 -7.174 -15.269 -6.163 1.00 0.00 C ATOM 176 CG LYS A 13 -5.866 -16.029 -6.388 1.00 0.00 C ATOM 177 CD LYS A 13 -6.175 -17.481 -6.759 1.00 0.00 C ATOM 178 CE LYS A 13 -5.481 -17.831 -8.078 1.00 0.00 C ATOM 179 NZ LYS A 13 -4.040 -17.972 -7.728 1.00 0.00 N ATOM 0 H LYS A 13 -8.681 -16.570 -4.823 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.354 -14.897 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.019 -15.872 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.183 -14.355 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.290 -15.555 -7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.254 -15.995 -5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.835 -18.150 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.252 -17.622 -6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.877 -18.755 -8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.632 -17.050 -8.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.470 -17.368 -8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.893 -17.683 -6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.750 -18.964 -7.846 1.00 0.00 H new ATOM 193 N CYS A 14 -7.246 -12.617 -3.956 1.00 0.00 N ATOM 194 CA CYS A 14 -7.822 -11.256 -3.754 1.00 0.00 C ATOM 195 C CYS A 14 -6.708 -10.227 -3.554 1.00 0.00 C ATOM 196 O CYS A 14 -6.829 -9.083 -3.947 1.00 0.00 O ATOM 197 CB CYS A 14 -8.673 -11.369 -2.488 1.00 0.00 C ATOM 198 SG CYS A 14 -10.363 -11.830 -2.934 1.00 0.00 S ATOM 0 H CYS A 14 -6.282 -12.731 -3.643 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.405 -10.928 -4.614 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.247 -12.114 -1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.673 -10.420 -1.952 1.00 0.00 H new ATOM 203 N CYS A 15 -5.628 -10.619 -2.940 1.00 0.00 N ATOM 204 CA CYS A 15 -4.513 -9.659 -2.710 1.00 0.00 C ATOM 205 C CYS A 15 -3.207 -10.411 -2.439 1.00 0.00 C ATOM 206 O CYS A 15 -3.157 -11.624 -2.476 1.00 0.00 O ATOM 207 CB CYS A 15 -4.936 -8.866 -1.472 1.00 0.00 C ATOM 208 SG CYS A 15 -4.903 -7.096 -1.843 1.00 0.00 S ATOM 0 H CYS A 15 -5.469 -11.563 -2.587 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.334 -9.018 -3.573 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.938 -9.164 -1.162 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.266 -9.086 -0.641 1.00 0.00 H new ATOM 213 N LEU A 16 -2.152 -9.695 -2.156 1.00 0.00 N ATOM 214 CA LEU A 16 -0.849 -10.362 -1.869 1.00 0.00 C ATOM 215 C LEU A 16 -0.806 -10.795 -0.405 1.00 0.00 C ATOM 216 O LEU A 16 0.245 -11.049 0.150 1.00 0.00 O ATOM 217 CB LEU A 16 0.208 -9.290 -2.131 1.00 0.00 C ATOM 218 CG LEU A 16 1.238 -9.818 -3.130 1.00 0.00 C ATOM 219 CD1 LEU A 16 1.444 -8.791 -4.245 1.00 0.00 C ATOM 220 CD2 LEU A 16 2.568 -10.060 -2.410 1.00 0.00 C ATOM 0 H LEU A 16 -2.136 -8.676 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.691 -11.251 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.263 -8.388 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.700 -9.014 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 16 0.879 -10.753 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.178 -9.169 -4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.498 -8.616 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.802 -7.855 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.303 -10.437 -3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.925 -9.124 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.424 -10.792 -1.615 1.00 0.00 H new ATOM 232 N GLY A 17 -1.942 -10.857 0.231 1.00 0.00 N ATOM 233 CA GLY A 17 -1.969 -11.247 1.666 1.00 0.00 C ATOM 234 C GLY A 17 -1.559 -10.031 2.491 1.00 0.00 C ATOM 235 O GLY A 17 -2.325 -9.522 3.274 1.00 0.00 O ATOM 0 H GLY A 17 -2.853 -10.654 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.966 -11.583 1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.288 -12.079 1.848 1.00 0.00 H new ATOM 239 N TYR A 18 -0.351 -9.571 2.289 1.00 0.00 N ATOM 240 CA TYR A 18 0.178 -8.373 3.007 1.00 0.00 C ATOM 241 C TYR A 18 1.621 -8.124 2.563 1.00 0.00 C ATOM 242 O TYR A 18 2.455 -9.006 2.607 1.00 0.00 O ATOM 243 CB TYR A 18 0.121 -8.713 4.495 1.00 0.00 C ATOM 244 CG TYR A 18 -1.198 -8.263 5.096 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.191 -7.680 4.291 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.422 -8.424 6.469 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.401 -7.267 4.860 1.00 0.00 C ATOM 248 CE2 TYR A 18 -2.633 -8.007 7.036 1.00 0.00 C ATOM 249 CZ TYR A 18 -3.622 -7.429 6.232 1.00 0.00 C ATOM 250 OH TYR A 18 -4.814 -7.018 6.793 1.00 0.00 O ATOM 0 H TYR A 18 0.310 -9.990 1.635 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.398 -7.472 2.795 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.242 -9.787 4.633 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.948 -8.230 5.016 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.020 -7.551 3.232 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.660 -8.870 7.091 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.165 -6.823 4.239 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.804 -8.132 8.095 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.525 -7.062 6.120 1.00 0.00 H new ATOM 260 N GLN A 19 1.919 -6.935 2.125 1.00 0.00 N ATOM 261 CA GLN A 19 3.305 -6.636 1.665 1.00 0.00 C ATOM 262 C GLN A 19 4.327 -7.165 2.674 1.00 0.00 C ATOM 263 O GLN A 19 4.261 -6.877 3.852 1.00 0.00 O ATOM 264 CB GLN A 19 3.369 -5.107 1.557 1.00 0.00 C ATOM 265 CG GLN A 19 4.787 -4.613 1.838 1.00 0.00 C ATOM 266 CD GLN A 19 5.616 -4.713 0.559 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.236 -3.755 0.146 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.655 -5.841 -0.088 1.00 0.00 N ATOM 0 H GLN A 19 1.264 -6.156 2.065 1.00 0.00 H new ATOM 0 HA GLN A 19 3.539 -7.114 0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.058 -4.793 0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.673 -4.656 2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.763 -3.582 2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.243 -5.209 2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.134 -6.646 0.259 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.207 -5.920 -0.942 1.00 0.00 H new ATOM 277 N LYS A 20 5.279 -7.926 2.212 1.00 0.00 N ATOM 278 CA LYS A 20 6.320 -8.466 3.131 1.00 0.00 C ATOM 279 C LYS A 20 7.546 -7.551 3.107 1.00 0.00 C ATOM 280 O LYS A 20 8.150 -7.272 4.123 1.00 0.00 O ATOM 281 CB LYS A 20 6.668 -9.846 2.574 1.00 0.00 C ATOM 282 CG LYS A 20 6.243 -10.923 3.575 1.00 0.00 C ATOM 283 CD LYS A 20 5.537 -12.059 2.832 1.00 0.00 C ATOM 284 CE LYS A 20 5.748 -13.372 3.588 1.00 0.00 C ATOM 285 NZ LYS A 20 6.839 -14.069 2.850 1.00 0.00 N ATOM 0 H LYS A 20 5.382 -8.198 1.234 1.00 0.00 H new ATOM 0 HA LYS A 20 5.978 -8.526 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.165 -10.002 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.739 -9.914 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.115 -11.307 4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.577 -10.495 4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.472 -11.844 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.929 -12.144 1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.027 -13.190 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.837 -13.970 3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.042 -14.980 3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.542 -14.235 1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.696 -13.479 2.858 1.00 0.00 H new ATOM 299 N ARG A 21 7.906 -7.073 1.947 1.00 0.00 N ATOM 300 CA ARG A 21 9.081 -6.163 1.840 1.00 0.00 C ATOM 301 C ARG A 21 8.653 -4.734 2.153 1.00 0.00 C ATOM 302 O ARG A 21 7.491 -4.397 2.072 1.00 0.00 O ATOM 303 CB ARG A 21 9.542 -6.279 0.387 1.00 0.00 C ATOM 304 CG ARG A 21 10.913 -6.957 0.340 1.00 0.00 C ATOM 305 CD ARG A 21 11.191 -7.451 -1.082 1.00 0.00 C ATOM 306 NE ARG A 21 11.738 -6.268 -1.801 1.00 0.00 N ATOM 307 CZ ARG A 21 13.025 -6.154 -1.987 1.00 0.00 C ATOM 308 NH1 ARG A 21 13.634 -6.946 -2.826 1.00 0.00 N ATOM 309 NH2 ARG A 21 13.702 -5.249 -1.336 1.00 0.00 N ATOM 0 H ARG A 21 7.435 -7.275 1.065 1.00 0.00 H new ATOM 0 HA ARG A 21 9.877 -6.423 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.819 -6.856 -0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.597 -5.290 -0.068 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.688 -6.256 0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.941 -7.793 1.039 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.903 -8.276 -1.081 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.281 -7.816 -1.558 1.00 0.00 H new ATOM 0 HE ARG A 21 11.107 -5.546 -2.149 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.105 -7.653 -3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.640 -6.858 -2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.226 -4.629 -0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.708 -5.161 -1.482 1.00 0.00 H new ATOM 323 N PRO A 22 9.615 -3.941 2.503 1.00 0.00 N ATOM 324 CA PRO A 22 9.346 -2.526 2.832 1.00 0.00 C ATOM 325 C PRO A 22 8.978 -1.742 1.577 1.00 0.00 C ATOM 326 O PRO A 22 9.569 -1.901 0.528 1.00 0.00 O ATOM 327 CB PRO A 22 10.655 -2.037 3.426 1.00 0.00 C ATOM 328 CG PRO A 22 11.699 -2.959 2.873 1.00 0.00 C ATOM 329 CD PRO A 22 11.032 -4.283 2.623 1.00 0.00 C ATOM 0 HA PRO A 22 8.507 -2.399 3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.854 -1.002 3.146 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.633 -2.074 4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.117 -2.558 1.950 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.525 -3.070 3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.408 -4.756 1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.207 -4.981 3.442 1.00 0.00 H new ATOM 337 N LEU A 23 7.994 -0.904 1.687 1.00 0.00 N ATOM 338 CA LEU A 23 7.556 -0.104 0.515 1.00 0.00 C ATOM 339 C LEU A 23 7.499 1.383 0.863 1.00 0.00 C ATOM 340 O LEU A 23 6.903 1.773 1.848 1.00 0.00 O ATOM 341 CB LEU A 23 6.168 -0.635 0.187 1.00 0.00 C ATOM 342 CG LEU A 23 6.248 -1.457 -1.091 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.911 -2.157 -1.339 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.567 -0.529 -2.266 1.00 0.00 C ATOM 0 H LEU A 23 7.469 -0.736 2.545 1.00 0.00 H new ATOM 0 HA LEU A 23 8.243 -0.194 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.795 -1.248 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.468 0.191 0.062 1.00 0.00 H new ATOM 0 HG LEU A 23 7.032 -2.208 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.972 -2.745 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.684 -2.815 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.123 -1.411 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.626 -1.112 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.781 0.220 -2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.522 -0.033 -2.089 1.00 0.00 H new ATOM 356 N PRO A 24 8.127 2.166 0.030 1.00 0.00 N ATOM 357 CA PRO A 24 8.158 3.631 0.234 1.00 0.00 C ATOM 358 C PRO A 24 6.816 4.248 -0.164 1.00 0.00 C ATOM 359 O PRO A 24 5.852 3.554 -0.414 1.00 0.00 O ATOM 360 CB PRO A 24 9.269 4.099 -0.701 1.00 0.00 C ATOM 361 CG PRO A 24 9.349 3.053 -1.768 1.00 0.00 C ATOM 362 CD PRO A 24 8.863 1.757 -1.169 1.00 0.00 C ATOM 0 HA PRO A 24 8.332 3.918 1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.041 5.077 -1.125 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.216 4.194 -0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.737 3.332 -2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.373 2.949 -2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.222 1.214 -1.863 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.694 1.097 -0.920 1.00 0.00 H new ATOM 370 N GLN A 25 6.750 5.548 -0.224 1.00 0.00 N ATOM 371 CA GLN A 25 5.479 6.219 -0.600 1.00 0.00 C ATOM 372 C GLN A 25 5.696 7.143 -1.799 1.00 0.00 C ATOM 373 O GLN A 25 4.874 7.224 -2.691 1.00 0.00 O ATOM 374 CB GLN A 25 5.086 7.026 0.635 1.00 0.00 C ATOM 375 CG GLN A 25 3.737 7.708 0.395 1.00 0.00 C ATOM 376 CD GLN A 25 3.968 9.145 -0.073 1.00 0.00 C ATOM 377 OE1 GLN A 25 3.537 9.524 -1.145 1.00 0.00 O ATOM 378 NE2 GLN A 25 4.634 9.969 0.689 1.00 0.00 N ATOM 0 H GLN A 25 7.528 6.177 -0.027 1.00 0.00 H new ATOM 0 HA GLN A 25 4.706 5.507 -0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.025 6.372 1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.849 7.773 0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.167 7.158 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.147 7.703 1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.996 9.652 1.588 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.792 10.930 0.385 1.00 0.00 H new ATOM 387 N VAL A 26 6.795 7.842 -1.828 1.00 0.00 N ATOM 388 CA VAL A 26 7.062 8.760 -2.965 1.00 0.00 C ATOM 389 C VAL A 26 7.134 7.971 -4.275 1.00 0.00 C ATOM 390 O VAL A 26 7.133 8.537 -5.351 1.00 0.00 O ATOM 391 CB VAL A 26 8.409 9.405 -2.654 1.00 0.00 C ATOM 392 CG1 VAL A 26 8.484 10.749 -3.360 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.558 9.628 -1.145 1.00 0.00 C ATOM 0 H VAL A 26 7.520 7.816 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 26 6.275 9.505 -3.084 1.00 0.00 H new ATOM 0 HB VAL A 26 9.207 8.747 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.443 11.220 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.385 10.601 -4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.677 11.391 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.524 10.089 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.761 10.283 -0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.495 8.671 -0.628 1.00 0.00 H new ATOM 403 N LEU A 27 7.196 6.670 -4.195 1.00 0.00 N ATOM 404 CA LEU A 27 7.268 5.851 -5.438 1.00 0.00 C ATOM 405 C LEU A 27 5.865 5.442 -5.886 1.00 0.00 C ATOM 406 O LEU A 27 5.596 5.297 -7.062 1.00 0.00 O ATOM 407 CB LEU A 27 8.090 4.621 -5.054 1.00 0.00 C ATOM 408 CG LEU A 27 9.498 4.744 -5.640 1.00 0.00 C ATOM 409 CD1 LEU A 27 9.409 4.857 -7.163 1.00 0.00 C ATOM 410 CD2 LEU A 27 10.175 5.996 -5.076 1.00 0.00 C ATOM 0 H LEU A 27 7.200 6.139 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 27 7.716 6.398 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.143 4.530 -3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.607 3.717 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 27 10.081 3.862 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.412 4.945 -7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.925 3.968 -7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.827 5.739 -7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.178 6.086 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.591 6.877 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.238 5.918 -3.991 1.00 0.00 H new ATOM 422 N LEU A 28 4.967 5.250 -4.959 1.00 0.00 N ATOM 423 CA LEU A 28 3.585 4.846 -5.334 1.00 0.00 C ATOM 424 C LEU A 28 2.696 6.081 -5.499 1.00 0.00 C ATOM 425 O LEU A 28 3.069 7.178 -5.133 1.00 0.00 O ATOM 426 CB LEU A 28 3.098 3.991 -4.167 1.00 0.00 C ATOM 427 CG LEU A 28 4.126 2.899 -3.867 1.00 0.00 C ATOM 428 CD1 LEU A 28 3.960 2.424 -2.423 1.00 0.00 C ATOM 429 CD2 LEU A 28 3.907 1.720 -4.818 1.00 0.00 C ATOM 0 H LEU A 28 5.132 5.356 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 28 3.555 4.306 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.946 4.614 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.135 3.541 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 28 5.131 3.298 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.693 1.646 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.113 3.263 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.955 2.024 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.639 0.941 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.902 1.322 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.024 2.057 -5.848 1.00 0.00 H new ATOM 441 N SER A 29 1.523 5.916 -6.051 1.00 0.00 N ATOM 442 CA SER A 29 0.623 7.089 -6.238 1.00 0.00 C ATOM 443 C SER A 29 -0.378 7.197 -5.085 1.00 0.00 C ATOM 444 O SER A 29 -0.282 8.070 -4.246 1.00 0.00 O ATOM 445 CB SER A 29 -0.105 6.827 -7.556 1.00 0.00 C ATOM 446 OG SER A 29 -0.883 7.967 -7.896 1.00 0.00 O ATOM 0 H SER A 29 1.152 5.024 -6.379 1.00 0.00 H new ATOM 0 HA SER A 29 1.179 8.027 -6.255 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.615 6.614 -8.347 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.745 5.950 -7.463 1.00 0.00 H new ATOM 0 HG SER A 29 -1.350 7.804 -8.742 1.00 0.00 H new ATOM 452 N SER A 30 -1.343 6.323 -5.046 1.00 0.00 N ATOM 453 CA SER A 30 -2.360 6.382 -3.954 1.00 0.00 C ATOM 454 C SER A 30 -2.673 4.977 -3.437 1.00 0.00 C ATOM 455 O SER A 30 -1.905 4.054 -3.615 1.00 0.00 O ATOM 456 CB SER A 30 -3.597 6.999 -4.605 1.00 0.00 C ATOM 457 OG SER A 30 -3.930 6.260 -5.773 1.00 0.00 O ATOM 0 H SER A 30 -1.474 5.570 -5.721 1.00 0.00 H new ATOM 0 HA SER A 30 -2.012 6.961 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.433 6.991 -3.905 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.406 8.041 -4.862 1.00 0.00 H new ATOM 0 HG SER A 30 -4.770 5.778 -5.626 1.00 0.00 H new ATOM 463 N TRP A 31 -3.797 4.811 -2.796 1.00 0.00 N ATOM 464 CA TRP A 31 -4.171 3.468 -2.264 1.00 0.00 C ATOM 465 C TRP A 31 -5.685 3.382 -2.093 1.00 0.00 C ATOM 466 O TRP A 31 -6.364 4.383 -1.994 1.00 0.00 O ATOM 467 CB TRP A 31 -3.504 3.375 -0.894 1.00 0.00 C ATOM 468 CG TRP A 31 -4.060 4.442 -0.015 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.784 5.755 -0.139 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.983 4.319 1.105 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.467 6.452 0.840 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.223 5.611 1.632 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.625 3.225 1.713 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -6.071 5.811 2.722 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.480 3.424 2.810 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.702 4.714 3.313 1.00 0.00 C ATOM 0 H TRP A 31 -4.476 5.551 -2.617 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.859 2.666 -2.933 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.681 2.394 -0.454 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.425 3.491 -0.991 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.134 6.192 -0.883 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.418 7.463 0.962 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.460 2.227 1.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.238 6.807 3.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.970 2.578 3.269 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.360 4.859 4.157 1.00 0.00 H new ATOM 487 N TYR A 32 -6.216 2.199 -2.026 1.00 0.00 N ATOM 488 CA TYR A 32 -7.684 2.067 -1.824 1.00 0.00 C ATOM 489 C TYR A 32 -7.972 0.896 -0.883 1.00 0.00 C ATOM 490 O TYR A 32 -7.370 -0.155 -0.984 1.00 0.00 O ATOM 491 CB TYR A 32 -8.291 1.877 -3.224 1.00 0.00 C ATOM 492 CG TYR A 32 -8.178 0.446 -3.692 1.00 0.00 C ATOM 493 CD1 TYR A 32 -8.845 -0.572 -3.007 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.424 0.146 -4.831 1.00 0.00 C ATOM 495 CE1 TYR A 32 -8.758 -1.894 -3.458 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.333 -1.175 -5.282 1.00 0.00 C ATOM 497 CZ TYR A 32 -8.000 -2.197 -4.596 1.00 0.00 C ATOM 498 OH TYR A 32 -7.913 -3.499 -5.041 1.00 0.00 O ATOM 0 H TYR A 32 -5.703 1.321 -2.102 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.126 2.944 -1.352 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.340 2.173 -3.209 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.785 2.533 -3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.428 -0.339 -2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.912 0.934 -5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.275 -2.680 -2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.748 -1.407 -6.160 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.349 -3.534 -5.842 1.00 0.00 H new ATOM 508 N PRO A 33 -8.872 1.143 0.031 1.00 0.00 N ATOM 509 CA PRO A 33 -9.243 0.127 1.049 1.00 0.00 C ATOM 510 C PRO A 33 -9.975 -1.053 0.409 1.00 0.00 C ATOM 511 O PRO A 33 -10.517 -0.952 -0.672 1.00 0.00 O ATOM 512 CB PRO A 33 -10.157 0.893 2.000 1.00 0.00 C ATOM 513 CG PRO A 33 -10.704 2.005 1.178 1.00 0.00 C ATOM 514 CD PRO A 33 -9.629 2.386 0.200 1.00 0.00 C ATOM 0 HA PRO A 33 -8.378 -0.306 1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.953 0.255 2.385 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.606 1.270 2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.609 1.692 0.657 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.975 2.854 1.806 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.049 2.733 -0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.002 3.190 0.585 1.00 0.00 H new ATOM 522 N THR A 34 -9.994 -2.174 1.074 1.00 0.00 N ATOM 523 CA THR A 34 -10.687 -3.363 0.504 1.00 0.00 C ATOM 524 C THR A 34 -11.966 -3.653 1.290 1.00 0.00 C ATOM 525 O THR A 34 -12.222 -3.061 2.321 1.00 0.00 O ATOM 526 CB THR A 34 -9.692 -4.519 0.656 1.00 0.00 C ATOM 527 OG1 THR A 34 -9.798 -5.061 1.966 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.265 -4.015 0.426 1.00 0.00 C ATOM 0 H THR A 34 -9.561 -2.318 1.986 1.00 0.00 H new ATOM 0 HA THR A 34 -10.977 -3.211 -0.536 1.00 0.00 H new ATOM 0 HB THR A 34 -9.921 -5.289 -0.081 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.008 -4.344 2.601 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.565 -4.843 0.536 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.183 -3.601 -0.579 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.030 -3.241 1.157 1.00 0.00 H new ATOM 536 N SER A 35 -12.773 -4.558 0.811 1.00 0.00 N ATOM 537 CA SER A 35 -14.039 -4.881 1.529 1.00 0.00 C ATOM 538 C SER A 35 -13.863 -6.141 2.379 1.00 0.00 C ATOM 539 O SER A 35 -12.792 -6.418 2.882 1.00 0.00 O ATOM 540 CB SER A 35 -15.069 -5.122 0.425 1.00 0.00 C ATOM 541 OG SER A 35 -16.358 -4.761 0.902 1.00 0.00 O ATOM 0 H SER A 35 -12.612 -5.088 -0.046 1.00 0.00 H new ATOM 0 HA SER A 35 -14.343 -4.082 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.817 -4.535 -0.458 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.059 -6.170 0.125 1.00 0.00 H new ATOM 0 HG SER A 35 -17.022 -4.912 0.197 1.00 0.00 H new ATOM 547 N GLN A 36 -14.907 -6.907 2.542 1.00 0.00 N ATOM 548 CA GLN A 36 -14.802 -8.148 3.360 1.00 0.00 C ATOM 549 C GLN A 36 -15.211 -9.365 2.525 1.00 0.00 C ATOM 550 O GLN A 36 -15.142 -10.490 2.975 1.00 0.00 O ATOM 551 CB GLN A 36 -15.776 -7.942 4.520 1.00 0.00 C ATOM 552 CG GLN A 36 -15.425 -8.904 5.657 1.00 0.00 C ATOM 553 CD GLN A 36 -13.983 -8.658 6.106 1.00 0.00 C ATOM 554 OE1 GLN A 36 -13.508 -7.444 6.093 1.00 0.00 O flip ATOM 555 NE2 GLN A 36 -13.284 -9.581 6.473 1.00 0.00 N flip ATOM 0 H GLN A 36 -15.829 -6.727 2.144 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.786 -8.328 3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.726 -6.912 4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.799 -8.115 4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.108 -8.759 6.494 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.543 -9.935 5.325 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.657 -10.530 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.324 -9.407 6.771 1.00 0.00 H new ATOM 564 N LEU A 37 -15.640 -9.143 1.313 1.00 0.00 N ATOM 565 CA LEU A 37 -16.056 -10.284 0.448 1.00 0.00 C ATOM 566 C LEU A 37 -14.856 -11.184 0.144 1.00 0.00 C ATOM 567 O LEU A 37 -15.007 -12.320 -0.259 1.00 0.00 O ATOM 568 CB LEU A 37 -16.576 -9.636 -0.834 1.00 0.00 C ATOM 569 CG LEU A 37 -18.098 -9.775 -0.897 1.00 0.00 C ATOM 570 CD1 LEU A 37 -18.734 -8.923 0.202 1.00 0.00 C ATOM 571 CD2 LEU A 37 -18.596 -9.296 -2.262 1.00 0.00 C ATOM 0 H LEU A 37 -15.721 -8.221 0.884 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.809 -10.911 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.295 -8.583 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.121 -10.110 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 37 -18.374 -10.820 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -19.819 -9.022 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -18.379 -9.261 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.459 -7.878 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -19.681 -9.394 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.320 -8.251 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -18.143 -9.901 -3.047 1.00 0.00 H new ATOM 583 N CYS A 38 -13.664 -10.685 0.330 1.00 0.00 N ATOM 584 CA CYS A 38 -12.457 -11.514 0.046 1.00 0.00 C ATOM 585 C CYS A 38 -12.007 -12.251 1.312 1.00 0.00 C ATOM 586 O CYS A 38 -12.762 -12.409 2.251 1.00 0.00 O ATOM 587 CB CYS A 38 -11.391 -10.518 -0.408 1.00 0.00 C ATOM 588 SG CYS A 38 -11.489 -10.318 -2.205 1.00 0.00 S ATOM 0 H CYS A 38 -13.474 -9.741 0.666 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.648 -12.277 -0.709 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -11.540 -9.558 0.085 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.400 -10.872 -0.123 1.00 0.00 H new ATOM 593 N SER A 39 -10.784 -12.707 1.342 1.00 0.00 N ATOM 594 CA SER A 39 -10.290 -13.439 2.544 1.00 0.00 C ATOM 595 C SER A 39 -9.501 -12.500 3.460 1.00 0.00 C ATOM 596 O SER A 39 -9.901 -12.222 4.574 1.00 0.00 O ATOM 597 CB SER A 39 -9.379 -14.534 1.992 1.00 0.00 C ATOM 598 OG SER A 39 -9.875 -15.804 2.396 1.00 0.00 O ATOM 0 H SER A 39 -10.106 -12.605 0.587 1.00 0.00 H new ATOM 0 HA SER A 39 -11.108 -13.845 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.338 -14.476 0.904 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.361 -14.395 2.357 1.00 0.00 H new ATOM 0 HG SER A 39 -9.294 -16.510 2.042 1.00 0.00 H new ATOM 604 N LYS A 40 -8.382 -12.018 3.002 1.00 0.00 N ATOM 605 CA LYS A 40 -7.561 -11.104 3.849 1.00 0.00 C ATOM 606 C LYS A 40 -7.641 -9.670 3.323 1.00 0.00 C ATOM 607 O LYS A 40 -6.831 -9.253 2.519 1.00 0.00 O ATOM 608 CB LYS A 40 -6.132 -11.638 3.739 1.00 0.00 C ATOM 609 CG LYS A 40 -5.570 -11.887 5.140 1.00 0.00 C ATOM 610 CD LYS A 40 -4.264 -11.108 5.312 1.00 0.00 C ATOM 611 CE LYS A 40 -3.207 -12.015 5.944 1.00 0.00 C ATOM 612 NZ LYS A 40 -3.638 -12.178 7.361 1.00 0.00 N ATOM 0 H LYS A 40 -7.998 -12.216 2.078 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.909 -11.079 4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.122 -12.563 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.505 -10.923 3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.293 -11.576 5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.393 -12.952 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.915 -10.744 4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.430 -10.233 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.156 -12.977 5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.215 -11.568 5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.803 -12.165 7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.275 -11.399 7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.137 -13.084 7.470 1.00 0.00 H new ATOM 626 N PRO A 41 -8.621 -8.960 3.807 1.00 0.00 N ATOM 627 CA PRO A 41 -8.825 -7.549 3.399 1.00 0.00 C ATOM 628 C PRO A 41 -7.743 -6.653 4.008 1.00 0.00 C ATOM 629 O PRO A 41 -6.826 -7.121 4.653 1.00 0.00 O ATOM 630 CB PRO A 41 -10.195 -7.206 3.970 1.00 0.00 C ATOM 631 CG PRO A 41 -10.373 -8.146 5.113 1.00 0.00 C ATOM 632 CD PRO A 41 -9.626 -9.405 4.773 1.00 0.00 C ATOM 0 HA PRO A 41 -8.768 -7.404 2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.238 -6.168 4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.979 -7.336 3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.990 -7.708 6.035 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.430 -8.358 5.276 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.165 -9.848 5.656 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.286 -10.160 4.346 1.00 0.00 H new ATOM 640 N GLY A 42 -7.847 -5.366 3.814 1.00 0.00 N ATOM 641 CA GLY A 42 -6.827 -4.442 4.388 1.00 0.00 C ATOM 642 C GLY A 42 -6.669 -3.221 3.484 1.00 0.00 C ATOM 643 O GLY A 42 -7.629 -2.717 2.932 1.00 0.00 O ATOM 0 H GLY A 42 -8.593 -4.915 3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.128 -4.129 5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.872 -4.957 4.489 1.00 0.00 H new ATOM 647 N VAL A 43 -5.467 -2.740 3.319 1.00 0.00 N ATOM 648 CA VAL A 43 -5.258 -1.556 2.443 1.00 0.00 C ATOM 649 C VAL A 43 -4.274 -1.894 1.330 1.00 0.00 C ATOM 650 O VAL A 43 -3.187 -2.384 1.571 1.00 0.00 O ATOM 651 CB VAL A 43 -4.689 -0.462 3.351 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.751 0.443 2.547 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.838 0.387 3.893 1.00 0.00 C ATOM 0 H VAL A 43 -4.624 -3.116 3.752 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.184 -1.236 1.966 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.140 -0.926 4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.349 1.220 3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.932 -0.151 2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.304 0.905 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.439 1.168 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.376 0.844 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.519 -0.244 4.463 1.00 0.00 H new ATOM 663 N ILE A 44 -4.642 -1.627 0.113 1.00 0.00 N ATOM 664 CA ILE A 44 -3.724 -1.920 -1.015 1.00 0.00 C ATOM 665 C ILE A 44 -3.211 -0.605 -1.597 1.00 0.00 C ATOM 666 O ILE A 44 -3.905 0.393 -1.600 1.00 0.00 O ATOM 667 CB ILE A 44 -4.575 -2.679 -2.029 1.00 0.00 C ATOM 668 CG1 ILE A 44 -5.523 -1.702 -2.720 1.00 0.00 C ATOM 669 CG2 ILE A 44 -5.389 -3.755 -1.311 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.887 -1.224 -4.023 1.00 0.00 C ATOM 0 H ILE A 44 -5.539 -1.218 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.852 -2.503 -0.719 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.928 -3.150 -2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.478 -2.186 -2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.728 -0.853 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.996 -4.296 -2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.713 -4.450 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.038 -3.287 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.559 -0.526 -4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.942 -0.725 -3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.704 -2.079 -4.674 1.00 0.00 H new ATOM 682 N PHE A 45 -2.000 -0.582 -2.069 1.00 0.00 N ATOM 683 CA PHE A 45 -1.452 0.682 -2.621 1.00 0.00 C ATOM 684 C PHE A 45 -1.305 0.597 -4.140 1.00 0.00 C ATOM 685 O PHE A 45 -0.905 -0.411 -4.682 1.00 0.00 O ATOM 686 CB PHE A 45 -0.076 0.814 -1.973 1.00 0.00 C ATOM 687 CG PHE A 45 -0.225 1.053 -0.491 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.544 2.329 -0.015 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.038 -0.003 0.409 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.678 2.549 1.361 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.170 0.217 1.783 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.490 1.492 2.259 1.00 0.00 C ATOM 0 H PHE A 45 -1.367 -1.382 -2.096 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.103 1.532 -2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.506 -0.091 -2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.473 1.638 -2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.687 3.144 -0.709 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.208 -0.988 0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.926 3.533 1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.025 -0.598 2.477 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.592 1.661 3.321 1.00 0.00 H new ATOM 702 N LEU A 46 -1.603 1.662 -4.827 1.00 0.00 N ATOM 703 CA LEU A 46 -1.457 1.657 -6.307 1.00 0.00 C ATOM 704 C LEU A 46 -0.280 2.548 -6.696 1.00 0.00 C ATOM 705 O LEU A 46 -0.235 3.717 -6.365 1.00 0.00 O ATOM 706 CB LEU A 46 -2.767 2.229 -6.848 1.00 0.00 C ATOM 707 CG LEU A 46 -3.532 1.152 -7.623 1.00 0.00 C ATOM 708 CD1 LEU A 46 -3.362 -0.205 -6.937 1.00 0.00 C ATOM 709 CD2 LEU A 46 -5.018 1.515 -7.664 1.00 0.00 C ATOM 0 H LEU A 46 -1.942 2.537 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.266 0.661 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.378 2.599 -6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.560 3.079 -7.499 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.138 1.094 -8.638 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.909 -0.965 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.305 -0.468 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.751 -0.150 -5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.564 0.750 -8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.406 1.576 -6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.144 2.478 -8.159 1.00 0.00 H new ATOM 721 N THR A 47 0.676 1.999 -7.383 1.00 0.00 N ATOM 722 CA THR A 47 1.866 2.805 -7.785 1.00 0.00 C ATOM 723 C THR A 47 1.439 3.999 -8.632 1.00 0.00 C ATOM 724 O THR A 47 0.346 4.511 -8.501 1.00 0.00 O ATOM 725 CB THR A 47 2.731 1.850 -8.613 1.00 0.00 C ATOM 726 OG1 THR A 47 2.121 1.637 -9.882 1.00 0.00 O ATOM 727 CG2 THR A 47 2.868 0.515 -7.878 1.00 0.00 C ATOM 0 H THR A 47 0.689 1.025 -7.686 1.00 0.00 H new ATOM 0 HA THR A 47 2.401 3.202 -6.922 1.00 0.00 H new ATOM 0 HB THR A 47 3.720 2.286 -8.755 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.745 1.161 -10.469 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.484 -0.164 -8.468 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.337 0.680 -6.908 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.881 0.076 -7.733 1.00 0.00 H new ATOM 735 N LYS A 48 2.297 4.434 -9.510 1.00 0.00 N ATOM 736 CA LYS A 48 1.958 5.579 -10.396 1.00 0.00 C ATOM 737 C LYS A 48 1.870 5.071 -11.835 1.00 0.00 C ATOM 738 O LYS A 48 1.660 5.821 -12.768 1.00 0.00 O ATOM 739 CB LYS A 48 3.116 6.566 -10.239 1.00 0.00 C ATOM 740 CG LYS A 48 2.821 7.521 -9.080 1.00 0.00 C ATOM 741 CD LYS A 48 1.776 8.548 -9.520 1.00 0.00 C ATOM 742 CE LYS A 48 2.362 9.956 -9.396 1.00 0.00 C ATOM 743 NZ LYS A 48 2.023 10.391 -8.012 1.00 0.00 N ATOM 0 H LYS A 48 3.227 4.041 -9.653 1.00 0.00 H new ATOM 0 HA LYS A 48 1.006 6.048 -10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.044 6.027 -10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.255 7.129 -11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.457 6.962 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.735 8.027 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.474 8.357 -10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.881 8.459 -8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.440 9.951 -9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.933 10.629 -10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.392 11.350 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.990 10.392 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.450 9.735 -7.327 1.00 0.00 H new ATOM 757 N ARG A 49 2.038 3.788 -12.007 1.00 0.00 N ATOM 758 CA ARG A 49 1.978 3.186 -13.366 1.00 0.00 C ATOM 759 C ARG A 49 0.751 2.280 -13.488 1.00 0.00 C ATOM 760 O ARG A 49 -0.260 2.655 -14.048 1.00 0.00 O ATOM 761 CB ARG A 49 3.261 2.362 -13.475 1.00 0.00 C ATOM 762 CG ARG A 49 4.378 3.225 -14.065 1.00 0.00 C ATOM 763 CD ARG A 49 5.659 3.030 -13.250 1.00 0.00 C ATOM 764 NE ARG A 49 6.768 3.212 -14.226 1.00 0.00 N ATOM 765 CZ ARG A 49 7.610 2.239 -14.446 1.00 0.00 C ATOM 766 NH1 ARG A 49 8.011 1.488 -13.457 1.00 0.00 N ATOM 767 NH2 ARG A 49 8.052 2.019 -15.654 1.00 0.00 N ATOM 0 H ARG A 49 2.216 3.125 -11.253 1.00 0.00 H new ATOM 0 HA ARG A 49 1.898 3.936 -14.153 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.553 1.994 -12.491 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.092 1.489 -14.105 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.552 2.952 -15.106 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.085 4.275 -14.055 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.725 3.755 -12.438 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.691 2.039 -12.796 1.00 0.00 H new ATOM 0 HE ARG A 49 6.870 4.097 -14.723 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.667 1.661 -12.513 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.669 0.728 -13.628 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.740 2.607 -16.426 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.710 1.259 -15.826 1.00 0.00 H new ATOM 781 N GLY A 50 0.836 1.088 -12.965 1.00 0.00 N ATOM 782 CA GLY A 50 -0.320 0.150 -13.046 1.00 0.00 C ATOM 783 C GLY A 50 -0.070 -1.047 -12.128 1.00 0.00 C ATOM 784 O GLY A 50 -0.583 -2.126 -12.346 1.00 0.00 O ATOM 0 H GLY A 50 1.658 0.722 -12.484 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.238 0.661 -12.754 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.457 -0.188 -14.073 1.00 0.00 H new ATOM 788 N ARG A 51 0.714 -0.866 -11.099 1.00 0.00 N ATOM 789 CA ARG A 51 0.994 -1.995 -10.166 1.00 0.00 C ATOM 790 C ARG A 51 0.276 -1.763 -8.834 1.00 0.00 C ATOM 791 O ARG A 51 0.263 -0.667 -8.310 1.00 0.00 O ATOM 792 CB ARG A 51 2.510 -1.979 -9.969 1.00 0.00 C ATOM 793 CG ARG A 51 3.165 -2.926 -10.976 1.00 0.00 C ATOM 794 CD ARG A 51 3.853 -4.071 -10.229 1.00 0.00 C ATOM 795 NE ARG A 51 3.444 -5.304 -10.957 1.00 0.00 N ATOM 796 CZ ARG A 51 2.538 -6.092 -10.447 1.00 0.00 C ATOM 797 NH1 ARG A 51 1.293 -5.705 -10.389 1.00 0.00 N ATOM 798 NH2 ARG A 51 2.876 -7.269 -9.995 1.00 0.00 N ATOM 0 H ARG A 51 1.172 0.015 -10.865 1.00 0.00 H new ATOM 0 HA ARG A 51 0.645 -2.952 -10.555 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.894 -0.968 -10.102 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.759 -2.283 -8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.414 -3.323 -11.659 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.892 -2.384 -11.581 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.936 -3.951 -10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.540 -4.106 -9.185 1.00 0.00 H new ATOM 0 HE ARG A 51 3.872 -5.532 -11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.028 -4.786 -10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.585 -6.322 -9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.849 -7.573 -10.040 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.167 -7.885 -9.596 1.00 0.00 H new ATOM 812 N GLN A 52 -0.329 -2.781 -8.286 1.00 0.00 N ATOM 813 CA GLN A 52 -1.051 -2.611 -7.000 1.00 0.00 C ATOM 814 C GLN A 52 -0.309 -3.323 -5.866 1.00 0.00 C ATOM 815 O GLN A 52 0.443 -4.251 -6.085 1.00 0.00 O ATOM 816 CB GLN A 52 -2.415 -3.259 -7.231 1.00 0.00 C ATOM 817 CG GLN A 52 -2.832 -3.089 -8.694 1.00 0.00 C ATOM 818 CD GLN A 52 -2.438 -4.338 -9.486 1.00 0.00 C ATOM 819 OE1 GLN A 52 -1.966 -5.305 -8.923 1.00 0.00 O ATOM 820 NE2 GLN A 52 -2.615 -4.358 -10.779 1.00 0.00 N ATOM 0 H GLN A 52 -0.353 -3.723 -8.676 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.133 -1.563 -6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.372 -4.318 -6.977 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.159 -2.804 -6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.908 -2.928 -8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.351 -2.209 -9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.011 -3.546 -11.252 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.357 -5.186 -11.316 1.00 0.00 H new ATOM 829 N VAL A 53 -0.525 -2.892 -4.655 1.00 0.00 N ATOM 830 CA VAL A 53 0.151 -3.528 -3.493 1.00 0.00 C ATOM 831 C VAL A 53 -0.868 -3.763 -2.374 1.00 0.00 C ATOM 832 O VAL A 53 -1.892 -3.115 -2.315 1.00 0.00 O ATOM 833 CB VAL A 53 1.212 -2.514 -3.063 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.440 -2.620 -1.559 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.523 -2.806 -3.797 1.00 0.00 C ATOM 0 H VAL A 53 -1.147 -2.119 -4.420 1.00 0.00 H new ATOM 0 HA VAL A 53 0.591 -4.496 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 53 0.872 -1.508 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.196 -1.897 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.507 -2.413 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.779 -3.626 -1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.280 -2.084 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.861 -3.812 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.363 -2.730 -4.872 1.00 0.00 H new ATOM 845 N CYS A 54 -0.603 -4.686 -1.490 1.00 0.00 N ATOM 846 CA CYS A 54 -1.562 -4.958 -0.384 1.00 0.00 C ATOM 847 C CYS A 54 -0.816 -5.083 0.944 1.00 0.00 C ATOM 848 O CYS A 54 0.032 -5.937 1.104 1.00 0.00 O ATOM 849 CB CYS A 54 -2.203 -6.290 -0.756 1.00 0.00 C ATOM 850 SG CYS A 54 -3.943 -6.284 -0.263 1.00 0.00 S ATOM 0 H CYS A 54 0.238 -5.264 -1.487 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.296 -4.161 -0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.119 -6.458 -1.830 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.678 -7.108 -0.263 1.00 0.00 H new ATOM 855 N ALA A 55 -1.116 -4.247 1.903 1.00 0.00 N ATOM 856 CA ALA A 55 -0.404 -4.347 3.207 1.00 0.00 C ATOM 857 C ALA A 55 -1.363 -4.073 4.367 1.00 0.00 C ATOM 858 O ALA A 55 -2.433 -3.521 4.191 1.00 0.00 O ATOM 859 CB ALA A 55 0.680 -3.274 3.142 1.00 0.00 C ATOM 0 H ALA A 55 -1.816 -3.508 1.840 1.00 0.00 H new ATOM 0 HA ALA A 55 0.010 -5.341 3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.254 -3.280 4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.344 -3.478 2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.217 -2.296 3.009 1.00 0.00 H new ATOM 865 N ASP A 56 -0.985 -4.458 5.556 1.00 0.00 N ATOM 866 CA ASP A 56 -1.865 -4.224 6.736 1.00 0.00 C ATOM 867 C ASP A 56 -1.718 -2.782 7.222 1.00 0.00 C ATOM 868 O ASP A 56 -0.644 -2.348 7.588 1.00 0.00 O ATOM 869 CB ASP A 56 -1.364 -5.201 7.799 1.00 0.00 C ATOM 870 CG ASP A 56 -2.381 -5.279 8.940 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.452 -4.714 8.792 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.071 -5.902 9.942 1.00 0.00 O ATOM 0 H ASP A 56 -0.102 -4.926 5.761 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.919 -4.377 6.505 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.217 -6.188 7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.397 -4.875 8.181 1.00 0.00 H new ATOM 877 N LYS A 57 -2.786 -2.035 7.229 1.00 0.00 N ATOM 878 CA LYS A 57 -2.699 -0.621 7.692 1.00 0.00 C ATOM 879 C LYS A 57 -1.971 -0.548 9.037 1.00 0.00 C ATOM 880 O LYS A 57 -1.398 0.464 9.389 1.00 0.00 O ATOM 881 CB LYS A 57 -4.148 -0.160 7.841 1.00 0.00 C ATOM 882 CG LYS A 57 -4.523 0.730 6.655 1.00 0.00 C ATOM 883 CD LYS A 57 -5.928 1.295 6.862 1.00 0.00 C ATOM 884 CE LYS A 57 -6.037 1.894 8.266 1.00 0.00 C ATOM 885 NZ LYS A 57 -7.233 2.779 8.215 1.00 0.00 N ATOM 0 H LYS A 57 -3.714 -2.341 6.935 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.143 0.006 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.813 -1.023 7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.272 0.388 8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.804 1.543 6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.484 0.155 5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.138 2.058 6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.671 0.508 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.154 1.115 9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.140 2.457 8.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.373 3.227 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.090 3.515 7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.072 2.215 7.972 1.00 0.00 H new ATOM 899 N SER A 58 -1.989 -1.612 9.791 1.00 0.00 N ATOM 900 CA SER A 58 -1.299 -1.601 11.113 1.00 0.00 C ATOM 901 C SER A 58 0.212 -1.463 10.919 1.00 0.00 C ATOM 902 O SER A 58 0.955 -1.265 11.860 1.00 0.00 O ATOM 903 CB SER A 58 -1.638 -2.947 11.751 1.00 0.00 C ATOM 904 OG SER A 58 -0.827 -3.959 11.171 1.00 0.00 O ATOM 0 H SER A 58 -2.451 -2.489 9.550 1.00 0.00 H new ATOM 0 HA SER A 58 -1.616 -0.765 11.737 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.472 -2.904 12.827 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.692 -3.179 11.600 1.00 0.00 H new ATOM 0 HG SER A 58 -1.355 -4.777 11.059 1.00 0.00 H new ATOM 910 N LYS A 59 0.670 -1.563 9.704 1.00 0.00 N ATOM 911 CA LYS A 59 2.129 -1.435 9.443 1.00 0.00 C ATOM 912 C LYS A 59 2.557 0.026 9.562 1.00 0.00 C ATOM 913 O LYS A 59 2.071 0.886 8.857 1.00 0.00 O ATOM 914 CB LYS A 59 2.315 -1.932 8.012 1.00 0.00 C ATOM 915 CG LYS A 59 2.763 -3.397 8.022 1.00 0.00 C ATOM 916 CD LYS A 59 1.923 -4.191 9.024 1.00 0.00 C ATOM 917 CE LYS A 59 2.736 -4.425 10.297 1.00 0.00 C ATOM 918 NZ LYS A 59 1.753 -4.307 11.410 1.00 0.00 N ATOM 0 H LYS A 59 0.095 -1.728 8.878 1.00 0.00 H new ATOM 0 HA LYS A 59 2.730 -2.001 10.154 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.381 -1.832 7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.056 -1.320 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.657 -3.826 7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.818 -3.462 8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.008 -3.648 9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.625 -5.145 8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.207 -5.408 10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.534 -3.690 10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.851 -3.376 11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.789 -4.409 11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.932 -5.054 12.112 1.00 0.00 H new ATOM 932 N ASP A 60 3.464 0.310 10.450 1.00 0.00 N ATOM 933 CA ASP A 60 3.929 1.714 10.622 1.00 0.00 C ATOM 934 C ASP A 60 4.249 2.343 9.264 1.00 0.00 C ATOM 935 O ASP A 60 3.719 3.377 8.910 1.00 0.00 O ATOM 936 CB ASP A 60 5.190 1.600 11.476 1.00 0.00 C ATOM 937 CG ASP A 60 4.814 1.687 12.956 1.00 0.00 C ATOM 938 OD1 ASP A 60 4.363 0.687 13.491 1.00 0.00 O ATOM 939 OD2 ASP A 60 4.983 2.751 13.529 1.00 0.00 O ATOM 0 H ASP A 60 3.906 -0.371 11.067 1.00 0.00 H new ATOM 0 HA ASP A 60 3.174 2.348 11.086 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.695 0.656 11.273 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.889 2.397 11.220 1.00 0.00 H new ATOM 944 N TRP A 61 5.113 1.732 8.501 1.00 0.00 N ATOM 945 CA TRP A 61 5.461 2.306 7.170 1.00 0.00 C ATOM 946 C TRP A 61 4.196 2.486 6.329 1.00 0.00 C ATOM 947 O TRP A 61 4.038 3.462 5.621 1.00 0.00 O ATOM 948 CB TRP A 61 6.404 1.286 6.529 1.00 0.00 C ATOM 949 CG TRP A 61 5.634 0.106 6.030 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.305 -0.969 6.773 1.00 0.00 C ATOM 951 CD2 TRP A 61 5.105 -0.142 4.695 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.616 -1.871 5.981 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.466 -1.405 4.690 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.119 0.595 3.501 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.865 -1.916 3.538 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.512 0.083 2.342 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.888 -1.171 2.360 1.00 0.00 C ATOM 0 H TRP A 61 5.592 0.864 8.740 1.00 0.00 H new ATOM 0 HA TRP A 61 5.928 3.288 7.250 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.946 1.750 5.705 1.00 0.00 H new ATOM 0 HB3 TRP A 61 7.148 0.962 7.257 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.541 -1.105 7.818 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.263 -2.769 6.310 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.599 1.562 3.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.385 -2.883 3.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.527 0.661 1.430 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.426 -1.559 1.464 1.00 0.00 H new ATOM 968 N VAL A 62 3.289 1.557 6.412 1.00 0.00 N ATOM 969 CA VAL A 62 2.032 1.673 5.633 1.00 0.00 C ATOM 970 C VAL A 62 1.207 2.858 6.143 1.00 0.00 C ATOM 971 O VAL A 62 0.831 3.734 5.391 1.00 0.00 O ATOM 972 CB VAL A 62 1.314 0.351 5.885 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.190 0.570 5.837 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.706 -0.655 4.804 1.00 0.00 C ATOM 0 H VAL A 62 3.366 0.719 6.989 1.00 0.00 H new ATOM 0 HA VAL A 62 2.200 1.851 4.571 1.00 0.00 H new ATOM 0 HB VAL A 62 1.598 -0.031 6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.701 -0.376 6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.478 1.290 6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.471 0.953 4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.193 -1.600 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.421 -0.268 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.784 -0.816 4.831 1.00 0.00 H new ATOM 984 N LYS A 63 0.922 2.896 7.415 1.00 0.00 N ATOM 985 CA LYS A 63 0.130 4.023 7.960 1.00 0.00 C ATOM 986 C LYS A 63 0.616 5.335 7.346 1.00 0.00 C ATOM 987 O LYS A 63 -0.161 6.110 6.824 1.00 0.00 O ATOM 988 CB LYS A 63 0.401 3.981 9.462 1.00 0.00 C ATOM 989 CG LYS A 63 -0.820 4.508 10.209 1.00 0.00 C ATOM 990 CD LYS A 63 -0.372 5.218 11.488 1.00 0.00 C ATOM 991 CE LYS A 63 -0.774 4.380 12.705 1.00 0.00 C ATOM 992 NZ LYS A 63 -2.245 4.575 12.837 1.00 0.00 N ATOM 0 H LYS A 63 1.205 2.193 8.097 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.935 3.950 7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.621 2.960 9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.277 4.584 9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.378 5.197 9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.492 3.686 10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.708 5.366 11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.828 6.206 11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.527 3.328 12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.250 4.710 13.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.510 4.547 13.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.511 5.496 12.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.743 3.818 12.326 1.00 0.00 H new ATOM 1006 N LYS A 64 1.895 5.583 7.385 1.00 0.00 N ATOM 1007 CA LYS A 64 2.415 6.837 6.779 1.00 0.00 C ATOM 1008 C LYS A 64 1.967 6.901 5.318 1.00 0.00 C ATOM 1009 O LYS A 64 1.576 7.937 4.818 1.00 0.00 O ATOM 1010 CB LYS A 64 3.942 6.735 6.893 1.00 0.00 C ATOM 1011 CG LYS A 64 4.556 6.456 5.518 1.00 0.00 C ATOM 1012 CD LYS A 64 6.081 6.418 5.637 1.00 0.00 C ATOM 1013 CE LYS A 64 6.709 6.796 4.293 1.00 0.00 C ATOM 1014 NZ LYS A 64 8.063 6.175 4.314 1.00 0.00 N ATOM 0 H LYS A 64 2.597 4.976 7.807 1.00 0.00 H new ATOM 0 HA LYS A 64 2.049 7.738 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.347 7.662 7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.210 5.939 7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.187 5.507 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.255 7.228 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.413 7.109 6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.408 5.422 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.115 6.420 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.772 7.878 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.557 6.390 3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.608 6.557 5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.971 5.144 4.419 1.00 0.00 H new ATOM 1028 N LEU A 65 2.012 5.789 4.632 1.00 0.00 N ATOM 1029 CA LEU A 65 1.579 5.771 3.209 1.00 0.00 C ATOM 1030 C LEU A 65 0.117 6.204 3.101 1.00 0.00 C ATOM 1031 O LEU A 65 -0.211 7.153 2.421 1.00 0.00 O ATOM 1032 CB LEU A 65 1.742 4.318 2.760 1.00 0.00 C ATOM 1033 CG LEU A 65 3.160 4.112 2.233 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.596 2.674 2.493 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.182 4.379 0.729 1.00 0.00 C ATOM 0 H LEU A 65 2.331 4.892 4.999 1.00 0.00 H new ATOM 0 HA LEU A 65 2.162 6.454 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.550 3.643 3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.015 4.081 1.984 1.00 0.00 H new ATOM 0 HG LEU A 65 3.840 4.797 2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.608 2.527 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.575 2.475 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.917 1.990 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.193 4.233 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.502 3.690 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.866 5.404 0.537 1.00 0.00 H new HETATM 1047 N MSE A 66 -0.767 5.512 3.763 1.00 0.00 N HETATM 1048 CA MSE A 66 -2.210 5.881 3.694 1.00 0.00 C HETATM 1049 C MSE A 66 -2.415 7.323 4.173 1.00 0.00 C HETATM 1050 O MSE A 66 -3.401 7.957 3.853 1.00 0.00 O HETATM 1051 CB MSE A 66 -2.915 4.888 4.623 1.00 0.00 C HETATM 1052 CG MSE A 66 -3.050 5.485 6.029 1.00 0.00 C HETATM 1053 SE MSE A 66 -4.896 6.404 6.012 1.00 0.00 SE HETATM 1054 CE MSE A 66 -4.467 7.877 7.389 1.00 0.00 C HETATM 0 H MSE A 66 -0.553 4.706 4.350 1.00 0.00 H new HETATM 0 HA MSE A 66 -2.603 5.834 2.679 1.00 0.00 H new HETATM 0 HB2 MSE A 66 -3.901 4.645 4.227 1.00 0.00 H new HETATM 0 HB3 MSE A 66 -2.351 3.957 4.668 1.00 0.00 H new HETATM 0 HG2 MSE A 66 -2.996 4.713 6.796 1.00 0.00 H new HETATM 0 HG3 MSE A 66 -2.252 6.198 6.238 1.00 0.00 H new HETATM 0 HE1 MSE A 66 -5.346 8.505 7.536 1.00 0.00 H new HETATM 0 HE2 MSE A 66 -4.186 7.418 8.337 1.00 0.00 H new HETATM 0 HE3 MSE A 66 -3.642 8.488 7.023 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.496 7.842 4.937 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.644 9.241 5.438 1.00 0.00 C ATOM 1066 C GLN A 67 -1.237 10.243 4.352 1.00 0.00 C ATOM 1067 O GLN A 67 -1.842 11.285 4.198 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.699 9.335 6.636 1.00 0.00 C ATOM 1069 CG GLN A 67 -1.300 8.577 7.822 1.00 0.00 C ATOM 1070 CD GLN A 67 -2.222 9.509 8.609 1.00 0.00 C ATOM 1071 OE1 GLN A 67 -2.442 10.638 8.219 1.00 0.00 O ATOM 1072 NE2 GLN A 67 -2.778 9.080 9.710 1.00 0.00 N ATOM 0 H GLN A 67 -0.648 7.361 5.237 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.673 9.473 5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.274 8.916 6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.536 10.379 6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.858 7.710 7.468 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.506 8.203 8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.594 8.132 10.038 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.396 9.693 10.241 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.212 9.939 3.602 1.00 0.00 N ATOM 1082 CA GLN A 68 0.236 10.877 2.533 1.00 0.00 C ATOM 1083 C GLN A 68 -0.478 10.569 1.213 1.00 0.00 C ATOM 1084 O GLN A 68 -0.686 11.438 0.391 1.00 0.00 O ATOM 1085 CB GLN A 68 1.738 10.629 2.397 1.00 0.00 C ATOM 1086 CG GLN A 68 2.496 11.529 3.374 1.00 0.00 C ATOM 1087 CD GLN A 68 3.978 11.147 3.374 1.00 0.00 C ATOM 1088 OE1 GLN A 68 4.317 9.982 3.438 1.00 0.00 O ATOM 1089 NE2 GLN A 68 4.882 12.086 3.304 1.00 0.00 N ATOM 0 H GLN A 68 0.334 9.082 3.684 1.00 0.00 H new ATOM 0 HA GLN A 68 0.010 11.915 2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.964 9.582 2.600 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.059 10.832 1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.379 12.574 3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.082 11.425 4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.598 13.064 3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.872 11.842 3.303 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.849 9.337 1.003 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.543 8.968 -0.261 1.00 0.00 C ATOM 1100 C LEU A 69 -3.049 9.209 -0.129 1.00 0.00 C ATOM 1101 O LEU A 69 -3.605 9.095 0.945 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.261 7.477 -0.452 1.00 0.00 C ATOM 1103 CG LEU A 69 0.200 7.166 -0.130 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.311 5.724 0.365 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.049 7.323 -1.390 1.00 0.00 C ATOM 0 H LEU A 69 -0.701 8.567 1.655 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.196 9.562 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.915 6.891 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.484 7.187 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 69 0.554 7.854 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.352 5.498 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.295 5.600 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.045 5.045 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.090 7.101 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.693 6.634 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.970 8.346 -1.757 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.659 9.534 -1.235 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.112 9.795 -1.261 1.00 0.00 C ATOM 1119 C PRO A 70 -5.885 8.492 -1.490 1.00 0.00 C ATOM 1120 O PRO A 70 -5.818 7.901 -2.548 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.271 10.729 -2.455 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.102 10.444 -3.357 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.058 9.693 -2.559 1.00 0.00 C ATOM 0 HA PRO A 70 -5.493 10.216 -0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.215 10.549 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.275 11.772 -2.138 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.420 9.854 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.687 11.374 -3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.831 8.728 -3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.122 10.249 -2.507 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.621 8.039 -0.510 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.394 6.776 -0.690 1.00 0.00 C ATOM 1133 C VAL A 71 -8.140 6.810 -2.026 1.00 0.00 C ATOM 1134 O VAL A 71 -9.155 7.462 -2.169 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.381 6.739 0.473 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.163 8.049 0.505 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.351 5.572 0.282 1.00 0.00 C ATOM 0 H VAL A 71 -6.720 8.486 0.402 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.752 5.895 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.840 6.609 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.871 8.030 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.472 8.882 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.705 8.172 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.056 5.545 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.896 5.701 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.793 4.636 0.250 1.00 0.00 H new ATOM 1147 N THR A 72 -7.638 6.112 -3.004 1.00 0.00 N ATOM 1148 CA THR A 72 -8.303 6.095 -4.341 1.00 0.00 C ATOM 1149 C THR A 72 -9.787 5.737 -4.198 1.00 0.00 C ATOM 1150 O THR A 72 -10.346 5.782 -3.121 1.00 0.00 O ATOM 1151 CB THR A 72 -7.565 5.011 -5.129 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.196 5.001 -4.749 1.00 0.00 O ATOM 1153 CG2 THR A 72 -7.679 5.296 -6.628 1.00 0.00 C ATOM 0 H THR A 72 -6.791 5.548 -2.937 1.00 0.00 H new ATOM 0 HA THR A 72 -8.261 7.066 -4.835 1.00 0.00 H new ATOM 0 HB THR A 72 -8.010 4.040 -4.913 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.746 4.237 -5.166 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.152 4.522 -7.187 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.730 5.302 -6.918 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.236 6.267 -6.848 1.00 0.00 H new ATOM 1161 N ALA A 73 -10.425 5.381 -5.281 1.00 0.00 N ATOM 1162 CA ALA A 73 -11.871 5.020 -5.215 1.00 0.00 C ATOM 1163 C ALA A 73 -12.720 6.273 -4.980 1.00 0.00 C ATOM 1164 O ALA A 73 -12.510 7.008 -4.037 1.00 0.00 O ATOM 1165 CB ALA A 73 -11.993 4.059 -4.032 1.00 0.00 C ATOM 0 H ALA A 73 -10.007 5.325 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.223 4.567 -6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.032 3.749 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.370 3.182 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.664 4.559 -3.121 1.00 0.00 H new ATOM 1171 N ARG A 74 -13.677 6.519 -5.833 1.00 0.00 N ATOM 1172 CA ARG A 74 -14.538 7.725 -5.659 1.00 0.00 C ATOM 1173 C ARG A 74 -15.932 7.313 -5.175 1.00 0.00 C ATOM 1174 CB ARG A 74 -14.618 8.357 -7.049 1.00 0.00 C ATOM 1175 CG ARG A 74 -13.679 9.563 -7.119 1.00 0.00 C ATOM 1176 CD ARG A 74 -12.308 9.178 -6.558 1.00 0.00 C ATOM 1177 NE ARG A 74 -11.357 10.147 -7.167 1.00 0.00 N ATOM 1178 CZ ARG A 74 -10.239 9.724 -7.688 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -10.213 8.602 -8.355 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -9.145 10.422 -7.545 1.00 0.00 N ATOM 0 H ARG A 74 -13.900 5.939 -6.642 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.136 8.417 -4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.344 7.625 -7.809 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.641 8.667 -7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.580 9.900 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.095 10.395 -6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.294 9.242 -5.470 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.048 8.152 -6.820 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.580 11.142 -7.177 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.067 8.056 -8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.338 8.271 -8.763 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.164 11.299 -7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.271 10.090 -7.953 1.00 0.00 H new TER 1194 ARG A 74