USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 MET CE :methyl -156:sc= -1.39 (180deg=-3!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -112:sc= 0.225 (180deg=0.0496) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc=-0.00481 (180deg=-0.0887) USER MOD Single : A 7 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.071) USER MOD Single : A 9 HIS : no HD1:sc= -2.5 X(o=-2.5,f=-2.4!) USER MOD Single : A 11 THR OG1 : rot -21:sc= 0.98 USER MOD Single : A 12 GLN : amide:sc=-0.000756 X(o=-0.00076,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.83! C(o=-1.8!,f=-4.2!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 36 LYS NZ :NH3+ 136:sc= 0.127 (180deg=0) USER MOD Single : A 40 MET CE :methyl -165:sc= -2.03 (180deg=-2.51) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 46 TYR OH : rot 21:sc= 0.533 USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -0.097 (180deg=-0.308) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 97:sc= 0.7 USER MOD Single : A 57 SER OG : rot 170:sc= -0.856 USER MOD Single : A 59 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.7!) USER MOD Single : A 60 SER OG : rot -13:sc= 1.5 USER MOD Single : A 64 TYR OH : rot 180:sc=-0.00842 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -2 K(o=-2,f=-3.1) USER MOD Single : A 77 LYS NZ :NH3+ -154:sc= -0.0686 (180deg=-0.394) USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= -0.128 (180deg=-0.935) USER MOD Single : A 85 SER OG : rot -14:sc= 0.341! USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 91 THR OG1 : rot 180:sc= 0 USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 SER OG : rot -27:sc= 0.262 USER MOD Single : B 102 SER OG : rot -35:sc= 0.951 USER MOD Single : B 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.838 -29.516 -13.973 1.00 0.00 N ATOM 2 CA GLY A 1 -23.520 -28.549 -15.060 1.00 0.00 C ATOM 3 C GLY A 1 -22.322 -27.680 -14.729 1.00 0.00 C ATOM 4 O GLY A 1 -21.248 -27.847 -15.307 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.664 -30.086 -14.246 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.022 -30.141 -13.815 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.051 -28.997 -13.098 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.325 -29.095 -15.983 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.387 -27.914 -15.242 1.00 0.00 H new ATOM 10 N VAL A 2 -22.508 -26.749 -13.800 1.00 0.00 N ATOM 11 CA VAL A 2 -21.434 -25.850 -13.392 1.00 0.00 C ATOM 12 C VAL A 2 -21.199 -25.921 -11.888 1.00 0.00 C ATOM 13 O VAL A 2 -21.896 -26.643 -11.174 1.00 0.00 O ATOM 14 CB VAL A 2 -21.744 -24.393 -13.784 1.00 0.00 C ATOM 15 CG1 VAL A 2 -21.736 -24.233 -15.297 1.00 0.00 C ATOM 16 CG2 VAL A 2 -23.078 -23.955 -13.200 1.00 0.00 C ATOM 0 H VAL A 2 -23.392 -26.597 -13.315 1.00 0.00 H new ATOM 0 HA VAL A 2 -20.533 -26.175 -13.913 1.00 0.00 H new ATOM 0 HB VAL A 2 -20.966 -23.752 -13.371 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.957 -23.197 -15.555 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.754 -24.502 -15.686 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -22.491 -24.885 -15.736 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -23.280 -22.923 -13.488 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -23.871 -24.599 -13.580 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -23.041 -24.028 -12.113 1.00 0.00 H new ATOM 26 N ARG A 3 -20.213 -25.168 -11.411 1.00 0.00 N ATOM 27 CA ARG A 3 -19.887 -25.147 -9.990 1.00 0.00 C ATOM 28 C ARG A 3 -18.954 -23.988 -9.661 1.00 0.00 C ATOM 29 O ARG A 3 -18.094 -24.107 -8.787 1.00 0.00 O ATOM 30 CB ARG A 3 -19.230 -26.468 -9.574 1.00 0.00 C ATOM 31 CG ARG A 3 -20.178 -27.421 -8.864 1.00 0.00 C ATOM 32 CD ARG A 3 -19.992 -27.373 -7.355 1.00 0.00 C ATOM 33 NE ARG A 3 -20.363 -26.074 -6.799 1.00 0.00 N ATOM 34 CZ ARG A 3 -20.085 -25.694 -5.554 1.00 0.00 C ATOM 35 NH1 ARG A 3 -19.433 -26.509 -4.734 1.00 0.00 N ATOM 36 NH2 ARG A 3 -20.459 -24.496 -5.128 1.00 0.00 N ATOM 0 H ARG A 3 -19.626 -24.565 -11.987 1.00 0.00 H new ATOM 0 HA ARG A 3 -20.816 -25.016 -9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.830 -26.960 -10.460 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.385 -26.254 -8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -21.208 -27.164 -9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -20.008 -28.437 -9.220 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.596 -28.152 -6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.952 -27.588 -7.111 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.864 -25.420 -7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.142 -27.432 -5.057 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -19.223 -26.212 -3.781 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -20.960 -23.865 -5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.246 -24.205 -4.174 1.00 0.00 H new ATOM 50 N LYS A 4 -19.116 -22.864 -10.357 1.00 0.00 N ATOM 51 CA LYS A 4 -18.276 -21.711 -10.113 1.00 0.00 C ATOM 52 C LYS A 4 -16.806 -22.020 -10.409 1.00 0.00 C ATOM 53 O LYS A 4 -15.945 -21.190 -10.140 1.00 0.00 O ATOM 54 CB LYS A 4 -18.427 -21.263 -8.654 1.00 0.00 C ATOM 55 CG LYS A 4 -19.410 -20.120 -8.456 1.00 0.00 C ATOM 56 CD LYS A 4 -18.886 -19.101 -7.456 1.00 0.00 C ATOM 57 CE LYS A 4 -19.372 -19.389 -6.045 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.816 -19.064 -5.877 1.00 0.00 N ATOM 0 H LYS A 4 -19.817 -22.735 -11.087 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.595 -20.911 -10.781 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.750 -22.114 -8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.451 -20.959 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.597 -19.630 -9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.364 -20.516 -8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.796 -19.104 -7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.206 -18.103 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.207 -20.441 -5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.784 -18.809 -5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.052 -19.045 -4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.013 -18.133 -6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.392 -19.787 -6.353 1.00 0.00 H new ATOM 72 N GLY A 5 -16.505 -23.218 -10.945 1.00 0.00 N ATOM 73 CA GLY A 5 -15.110 -23.567 -11.216 1.00 0.00 C ATOM 74 C GLY A 5 -14.205 -22.914 -10.197 1.00 0.00 C ATOM 75 O GLY A 5 -13.215 -22.265 -10.535 1.00 0.00 O ATOM 0 H GLY A 5 -17.188 -23.935 -11.190 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.985 -24.649 -11.185 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.834 -23.243 -12.220 1.00 0.00 H new ATOM 79 N TRP A 6 -14.620 -23.027 -8.942 1.00 0.00 N ATOM 80 CA TRP A 6 -13.935 -22.393 -7.832 1.00 0.00 C ATOM 81 C TRP A 6 -12.711 -23.156 -7.332 1.00 0.00 C ATOM 82 O TRP A 6 -11.590 -22.655 -7.391 1.00 0.00 O ATOM 83 CB TRP A 6 -14.939 -22.244 -6.686 1.00 0.00 C ATOM 84 CG TRP A 6 -15.028 -20.859 -6.156 1.00 0.00 C ATOM 85 CD1 TRP A 6 -16.152 -20.121 -5.931 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.930 -20.047 -5.784 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.806 -18.885 -5.441 1.00 0.00 N ATOM 88 CE2 TRP A 6 -14.441 -18.821 -5.343 1.00 0.00 C ATOM 89 CE3 TRP A 6 -12.560 -20.249 -5.787 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.616 -17.795 -4.906 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.736 -19.244 -5.358 1.00 0.00 C ATOM 92 CH2 TRP A 6 -12.262 -18.020 -4.919 1.00 0.00 C ATOM 0 H TRP A 6 -15.444 -23.563 -8.668 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.562 -21.433 -8.187 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.924 -22.556 -7.033 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -14.658 -22.918 -5.876 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -17.162 -20.457 -6.111 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.456 -18.140 -5.192 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -12.147 -21.188 -6.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -14.024 -16.854 -4.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.667 -19.395 -5.357 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.591 -17.242 -4.586 1.00 0.00 H new ATOM 103 N HIS A 7 -12.933 -24.346 -6.809 1.00 0.00 N ATOM 104 CA HIS A 7 -11.849 -25.150 -6.248 1.00 0.00 C ATOM 105 C HIS A 7 -10.956 -25.771 -7.317 1.00 0.00 C ATOM 106 O HIS A 7 -9.905 -26.333 -7.009 1.00 0.00 O ATOM 107 CB HIS A 7 -12.432 -26.259 -5.385 1.00 0.00 C ATOM 108 CG HIS A 7 -13.227 -25.758 -4.218 1.00 0.00 C ATOM 109 ND1 HIS A 7 -13.728 -26.588 -3.237 1.00 0.00 N ATOM 110 CD2 HIS A 7 -13.606 -24.504 -3.876 1.00 0.00 C ATOM 111 CE1 HIS A 7 -14.382 -25.866 -2.344 1.00 0.00 C ATOM 112 NE2 HIS A 7 -14.322 -24.599 -2.709 1.00 0.00 N ATOM 0 H HIS A 7 -13.853 -24.784 -6.758 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.230 -24.477 -5.654 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.069 -26.891 -6.003 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.620 -26.887 -5.018 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.386 -23.598 -4.420 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -14.881 -26.248 -1.465 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -14.740 -23.817 -2.205 1.00 0.00 H new ATOM 121 N GLU A 8 -11.405 -25.717 -8.554 1.00 0.00 N ATOM 122 CA GLU A 8 -10.680 -26.327 -9.667 1.00 0.00 C ATOM 123 C GLU A 8 -9.171 -26.073 -9.629 1.00 0.00 C ATOM 124 O GLU A 8 -8.390 -27.021 -9.719 1.00 0.00 O ATOM 125 CB GLU A 8 -11.224 -25.809 -10.997 1.00 0.00 C ATOM 126 CG GLU A 8 -11.535 -24.321 -11.004 1.00 0.00 C ATOM 127 CD GLU A 8 -10.502 -23.513 -11.764 1.00 0.00 C ATOM 128 OE1 GLU A 8 -9.388 -24.032 -11.988 1.00 0.00 O ATOM 129 OE2 GLU A 8 -10.806 -22.360 -12.136 1.00 0.00 O ATOM 0 H GLU A 8 -12.274 -25.255 -8.823 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.836 -27.401 -9.569 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.498 -26.021 -11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.131 -26.360 -11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.516 -24.161 -11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.589 -23.960 -9.977 1.00 0.00 H new ATOM 136 N HIS A 9 -8.745 -24.817 -9.532 1.00 0.00 N ATOM 137 CA HIS A 9 -7.307 -24.535 -9.531 1.00 0.00 C ATOM 138 C HIS A 9 -6.882 -23.469 -8.521 1.00 0.00 C ATOM 139 O HIS A 9 -5.927 -22.731 -8.767 1.00 0.00 O ATOM 140 CB HIS A 9 -6.856 -24.130 -10.936 1.00 0.00 C ATOM 141 CG HIS A 9 -5.369 -24.039 -11.086 1.00 0.00 C ATOM 142 ND1 HIS A 9 -4.683 -22.842 -11.079 1.00 0.00 N ATOM 143 CD2 HIS A 9 -4.433 -25.005 -11.247 1.00 0.00 C ATOM 144 CE1 HIS A 9 -3.391 -23.076 -11.230 1.00 0.00 C ATOM 145 NE2 HIS A 9 -3.213 -24.380 -11.333 1.00 0.00 N ATOM 0 H HIS A 9 -9.350 -23.999 -9.455 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.817 -25.458 -9.221 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.242 -24.853 -11.655 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.298 -23.165 -11.186 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.613 -26.069 -11.298 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.613 -22.328 -11.263 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.315 -24.848 -11.456 1.00 0.00 H new ATOM 154 N VAL A 10 -7.544 -23.407 -7.370 1.00 0.00 N ATOM 155 CA VAL A 10 -7.150 -22.444 -6.340 1.00 0.00 C ATOM 156 C VAL A 10 -6.332 -23.144 -5.266 1.00 0.00 C ATOM 157 O VAL A 10 -5.159 -22.835 -5.063 1.00 0.00 O ATOM 158 CB VAL A 10 -8.346 -21.733 -5.675 1.00 0.00 C ATOM 159 CG1 VAL A 10 -7.869 -20.517 -4.898 1.00 0.00 C ATOM 160 CG2 VAL A 10 -9.377 -21.331 -6.709 1.00 0.00 C ATOM 0 H VAL A 10 -8.340 -23.997 -7.127 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.560 -21.679 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.817 -22.429 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.723 -20.024 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.167 -20.831 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.374 -19.822 -5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.211 -20.831 -6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.923 -20.652 -7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.740 -22.220 -7.225 1.00 0.00 H new ATOM 170 N THR A 11 -6.958 -24.103 -4.594 1.00 0.00 N ATOM 171 CA THR A 11 -6.289 -24.870 -3.550 1.00 0.00 C ATOM 172 C THR A 11 -5.704 -23.955 -2.478 1.00 0.00 C ATOM 173 O THR A 11 -5.646 -22.738 -2.648 1.00 0.00 O ATOM 174 CB THR A 11 -5.183 -25.734 -4.164 1.00 0.00 C ATOM 175 OG1 THR A 11 -4.009 -24.969 -4.373 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.570 -26.354 -5.493 1.00 0.00 C ATOM 0 H THR A 11 -7.930 -24.368 -4.754 1.00 0.00 H new ATOM 0 HA THR A 11 -7.030 -25.514 -3.075 1.00 0.00 H new ATOM 0 HB THR A 11 -5.012 -26.536 -3.446 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.241 -24.017 -4.408 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.741 -26.952 -5.871 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.444 -26.991 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.803 -25.565 -6.208 1.00 0.00 H new ATOM 184 N GLN A 12 -5.273 -24.552 -1.371 1.00 0.00 N ATOM 185 CA GLN A 12 -4.692 -23.794 -0.269 1.00 0.00 C ATOM 186 C GLN A 12 -3.282 -23.324 -0.614 1.00 0.00 C ATOM 187 O GLN A 12 -2.870 -22.231 -0.227 1.00 0.00 O ATOM 188 CB GLN A 12 -4.662 -24.646 1.001 1.00 0.00 C ATOM 189 CG GLN A 12 -3.804 -25.895 0.877 1.00 0.00 C ATOM 190 CD GLN A 12 -4.012 -26.861 2.025 1.00 0.00 C ATOM 191 OE1 GLN A 12 -3.771 -26.526 3.186 1.00 0.00 O ATOM 192 NE2 GLN A 12 -4.461 -28.070 1.708 1.00 0.00 N ATOM 0 H GLN A 12 -5.315 -25.559 -1.214 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.315 -22.916 -0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.289 -24.040 1.826 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.680 -24.939 1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.034 -26.398 -0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.754 -25.607 0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.648 -28.305 0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.619 -28.763 2.439 1.00 0.00 H new ATOM 201 N ASP A 13 -2.546 -24.159 -1.340 1.00 0.00 N ATOM 202 CA ASP A 13 -1.182 -23.830 -1.735 1.00 0.00 C ATOM 203 C ASP A 13 -1.147 -22.568 -2.591 1.00 0.00 C ATOM 204 O ASP A 13 -0.454 -21.604 -2.265 1.00 0.00 O ATOM 205 CB ASP A 13 -0.555 -24.996 -2.502 1.00 0.00 C ATOM 206 CG ASP A 13 -0.026 -26.078 -1.579 1.00 0.00 C ATOM 207 OD1 ASP A 13 1.017 -25.848 -0.932 1.00 0.00 O ATOM 208 OD2 ASP A 13 -0.656 -27.153 -1.503 1.00 0.00 O ATOM 0 H ASP A 13 -2.872 -25.069 -1.667 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.606 -23.646 -0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.298 -25.427 -3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.259 -24.623 -3.124 1.00 0.00 H new ATOM 213 N LEU A 14 -1.899 -22.580 -3.686 1.00 0.00 N ATOM 214 CA LEU A 14 -1.953 -21.435 -4.589 1.00 0.00 C ATOM 215 C LEU A 14 -2.588 -20.231 -3.901 1.00 0.00 C ATOM 216 O LEU A 14 -2.176 -19.091 -4.117 1.00 0.00 O ATOM 217 CB LEU A 14 -2.738 -21.792 -5.853 1.00 0.00 C ATOM 218 CG LEU A 14 -2.068 -21.384 -7.167 1.00 0.00 C ATOM 219 CD1 LEU A 14 -2.562 -22.256 -8.310 1.00 0.00 C ATOM 220 CD2 LEU A 14 -2.328 -19.915 -7.463 1.00 0.00 C ATOM 0 H LEU A 14 -2.479 -23.369 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.932 -21.174 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.905 -22.869 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.718 -21.318 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.992 -21.529 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.075 -21.952 -9.236 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.324 -23.299 -8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.641 -22.143 -8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.844 -19.642 -8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.401 -19.745 -7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.925 -19.304 -6.655 1.00 0.00 H new ATOM 232 N ARG A 15 -3.593 -20.491 -3.072 1.00 0.00 N ATOM 233 CA ARG A 15 -4.284 -19.429 -2.352 1.00 0.00 C ATOM 234 C ARG A 15 -3.349 -18.749 -1.356 1.00 0.00 C ATOM 235 O ARG A 15 -3.278 -17.523 -1.294 1.00 0.00 O ATOM 236 CB ARG A 15 -5.507 -19.989 -1.623 1.00 0.00 C ATOM 237 CG ARG A 15 -6.380 -18.919 -0.988 1.00 0.00 C ATOM 238 CD ARG A 15 -6.097 -18.775 0.500 1.00 0.00 C ATOM 239 NE ARG A 15 -6.700 -19.855 1.280 1.00 0.00 N ATOM 240 CZ ARG A 15 -6.041 -20.935 1.699 1.00 0.00 C ATOM 241 NH1 ARG A 15 -4.753 -21.095 1.416 1.00 0.00 N ATOM 242 NH2 ARG A 15 -6.674 -21.861 2.405 1.00 0.00 N ATOM 0 H ARG A 15 -3.947 -21.429 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.613 -18.686 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.107 -20.565 -2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.173 -20.680 -0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.207 -17.965 -1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.430 -19.170 -1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.020 -18.767 0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.480 -17.817 0.851 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.689 -19.777 1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.258 -20.387 0.873 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.259 -21.926 1.742 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.663 -21.746 2.626 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.172 -22.689 2.727 1.00 0.00 H new ATOM 256 N SER A 16 -2.634 -19.557 -0.578 1.00 0.00 N ATOM 257 CA SER A 16 -1.702 -19.033 0.415 1.00 0.00 C ATOM 258 C SER A 16 -0.645 -18.148 -0.241 1.00 0.00 C ATOM 259 O SER A 16 -0.149 -17.201 0.370 1.00 0.00 O ATOM 260 CB SER A 16 -1.025 -20.182 1.165 1.00 0.00 C ATOM 261 OG SER A 16 0.110 -19.727 1.881 1.00 0.00 O ATOM 0 H SER A 16 -2.682 -20.575 -0.616 1.00 0.00 H new ATOM 0 HA SER A 16 -2.268 -18.428 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.735 -20.638 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.726 -20.956 0.458 1.00 0.00 H new ATOM 0 HG SER A 16 0.523 -20.480 2.352 1.00 0.00 H new ATOM 267 N HIS A 17 -0.309 -18.462 -1.488 1.00 0.00 N ATOM 268 CA HIS A 17 0.687 -17.694 -2.226 1.00 0.00 C ATOM 269 C HIS A 17 0.126 -16.342 -2.653 1.00 0.00 C ATOM 270 O HIS A 17 0.864 -15.365 -2.779 1.00 0.00 O ATOM 271 CB HIS A 17 1.156 -18.477 -3.454 1.00 0.00 C ATOM 272 CG HIS A 17 2.569 -18.178 -3.851 1.00 0.00 C ATOM 273 ND1 HIS A 17 3.600 -19.081 -3.698 1.00 0.00 N ATOM 274 CD2 HIS A 17 3.119 -17.068 -4.398 1.00 0.00 C ATOM 275 CE1 HIS A 17 4.724 -18.538 -4.133 1.00 0.00 C ATOM 276 NE2 HIS A 17 4.459 -17.319 -4.564 1.00 0.00 N ATOM 0 H HIS A 17 -0.711 -19.242 -2.008 1.00 0.00 H new ATOM 0 HA HIS A 17 1.538 -17.521 -1.567 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.062 -19.544 -3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.496 -18.252 -4.292 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.601 -16.156 -4.656 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.695 -19.012 -4.135 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.139 -16.669 -4.957 1.00 0.00 H new ATOM 285 N LEU A 18 -1.184 -16.294 -2.876 1.00 0.00 N ATOM 286 CA LEU A 18 -1.843 -15.060 -3.290 1.00 0.00 C ATOM 287 C LEU A 18 -2.130 -14.164 -2.089 1.00 0.00 C ATOM 288 O LEU A 18 -2.147 -12.939 -2.207 1.00 0.00 O ATOM 289 CB LEU A 18 -3.143 -15.374 -4.031 1.00 0.00 C ATOM 290 CG LEU A 18 -2.986 -15.642 -5.529 1.00 0.00 C ATOM 291 CD1 LEU A 18 -3.926 -16.750 -5.977 1.00 0.00 C ATOM 292 CD2 LEU A 18 -3.240 -14.371 -6.326 1.00 0.00 C ATOM 0 H LEU A 18 -1.809 -17.094 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.170 -14.528 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.606 -16.246 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.831 -14.539 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.962 -15.967 -5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.799 -16.925 -7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.698 -17.664 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.956 -16.456 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.124 -14.579 -7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.253 -14.017 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.525 -13.605 -6.026 1.00 0.00 H new ATOM 304 N VAL A 19 -2.354 -14.782 -0.934 1.00 0.00 N ATOM 305 CA VAL A 19 -2.639 -14.038 0.288 1.00 0.00 C ATOM 306 C VAL A 19 -1.510 -13.062 0.609 1.00 0.00 C ATOM 307 O VAL A 19 -1.740 -11.995 1.178 1.00 0.00 O ATOM 308 CB VAL A 19 -2.848 -14.984 1.488 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.205 -14.195 2.739 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.924 -16.013 1.174 1.00 0.00 C ATOM 0 H VAL A 19 -2.344 -15.795 -0.818 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.560 -13.481 0.115 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.913 -15.512 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.348 -14.881 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.398 -13.501 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.125 -13.636 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.058 -16.672 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.863 -15.503 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.623 -16.602 0.308 1.00 0.00 H new ATOM 320 N HIS A 20 -0.290 -13.435 0.235 1.00 0.00 N ATOM 321 CA HIS A 20 0.874 -12.590 0.478 1.00 0.00 C ATOM 322 C HIS A 20 0.863 -11.375 -0.442 1.00 0.00 C ATOM 323 O HIS A 20 1.378 -10.313 -0.091 1.00 0.00 O ATOM 324 CB HIS A 20 2.162 -13.389 0.273 1.00 0.00 C ATOM 325 CG HIS A 20 2.636 -14.090 1.508 1.00 0.00 C ATOM 326 ND1 HIS A 20 3.894 -13.906 2.042 1.00 0.00 N ATOM 327 CD2 HIS A 20 2.012 -14.977 2.319 1.00 0.00 C ATOM 328 CE1 HIS A 20 4.024 -14.651 3.126 1.00 0.00 C ATOM 329 NE2 HIS A 20 2.896 -15.310 3.315 1.00 0.00 N ATOM 0 H HIS A 20 -0.082 -14.315 -0.237 1.00 0.00 H new ATOM 0 HA HIS A 20 0.832 -12.242 1.510 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.001 -14.126 -0.514 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.945 -12.716 -0.076 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.006 -15.353 2.204 1.00 0.00 H new ATOM 0 HE1 HIS A 20 4.903 -14.710 3.751 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.711 -15.961 4.078 1.00 0.00 H new ATOM 338 N LYS A 21 0.268 -11.535 -1.621 1.00 0.00 N ATOM 339 CA LYS A 21 0.186 -10.448 -2.589 1.00 0.00 C ATOM 340 C LYS A 21 -0.522 -9.240 -1.985 1.00 0.00 C ATOM 341 O LYS A 21 -0.106 -8.098 -2.183 1.00 0.00 O ATOM 342 CB LYS A 21 -0.546 -10.913 -3.850 1.00 0.00 C ATOM 343 CG LYS A 21 0.289 -10.801 -5.115 1.00 0.00 C ATOM 344 CD LYS A 21 -0.204 -11.749 -6.195 1.00 0.00 C ATOM 345 CE LYS A 21 0.090 -11.211 -7.587 1.00 0.00 C ATOM 346 NZ LYS A 21 -0.663 -11.948 -8.639 1.00 0.00 N ATOM 0 H LYS A 21 -0.164 -12.407 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 21 1.200 -10.154 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.855 -11.950 -3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.454 -10.323 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.254 -9.776 -5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.331 -11.021 -4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.272 -12.722 -6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.277 -11.903 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.169 -10.153 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.159 -11.286 -7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.434 -11.550 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.397 -12.953 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.684 -11.856 -8.464 1.00 0.00 H new ATOM 360 N LEU A 22 -1.592 -9.500 -1.239 1.00 0.00 N ATOM 361 CA LEU A 22 -2.354 -8.436 -0.597 1.00 0.00 C ATOM 362 C LEU A 22 -1.473 -7.661 0.376 1.00 0.00 C ATOM 363 O LEU A 22 -1.602 -6.445 0.517 1.00 0.00 O ATOM 364 CB LEU A 22 -3.563 -9.019 0.139 1.00 0.00 C ATOM 365 CG LEU A 22 -4.896 -8.898 -0.607 1.00 0.00 C ATOM 366 CD1 LEU A 22 -5.671 -10.204 -0.535 1.00 0.00 C ATOM 367 CD2 LEU A 22 -5.722 -7.753 -0.038 1.00 0.00 C ATOM 0 H LEU A 22 -1.950 -10.439 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.707 -7.752 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.372 -10.073 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.657 -8.520 1.104 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.685 -8.684 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.614 -10.097 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.083 -11.001 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.872 -10.451 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.665 -7.681 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.922 -7.938 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.171 -6.819 -0.144 1.00 0.00 H new ATOM 379 N VAL A 23 -0.573 -8.378 1.043 1.00 0.00 N ATOM 380 CA VAL A 23 0.336 -7.766 2.002 1.00 0.00 C ATOM 381 C VAL A 23 1.473 -7.043 1.288 1.00 0.00 C ATOM 382 O VAL A 23 1.999 -6.047 1.784 1.00 0.00 O ATOM 383 CB VAL A 23 0.928 -8.817 2.960 1.00 0.00 C ATOM 384 CG1 VAL A 23 1.765 -8.149 4.042 1.00 0.00 C ATOM 385 CG2 VAL A 23 -0.179 -9.658 3.577 1.00 0.00 C ATOM 0 H VAL A 23 -0.455 -9.385 0.935 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.243 -7.046 2.580 1.00 0.00 H new ATOM 0 HB VAL A 23 1.580 -9.476 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.173 -8.910 4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.582 -7.595 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.140 -7.464 4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.257 -10.395 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.858 -9.013 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.730 -10.169 2.788 1.00 0.00 H new ATOM 395 N GLN A 24 1.846 -7.550 0.117 1.00 0.00 N ATOM 396 CA GLN A 24 2.921 -6.954 -0.669 1.00 0.00 C ATOM 397 C GLN A 24 2.465 -5.647 -1.309 1.00 0.00 C ATOM 398 O GLN A 24 3.261 -4.730 -1.506 1.00 0.00 O ATOM 399 CB GLN A 24 3.390 -7.929 -1.750 1.00 0.00 C ATOM 400 CG GLN A 24 4.534 -7.396 -2.597 1.00 0.00 C ATOM 401 CD GLN A 24 5.884 -7.574 -1.928 1.00 0.00 C ATOM 402 OE1 GLN A 24 5.972 -7.711 -0.709 1.00 0.00 O ATOM 403 NE2 GLN A 24 6.945 -7.574 -2.729 1.00 0.00 N ATOM 0 H GLN A 24 1.419 -8.373 -0.309 1.00 0.00 H new ATOM 0 HA GLN A 24 3.753 -6.738 0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.703 -8.860 -1.277 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.549 -8.169 -2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.539 -7.908 -3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.369 -6.338 -2.800 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.824 -7.457 -3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.880 -7.691 -2.337 1.00 0.00 H new ATOM 412 N ALA A 25 1.178 -5.569 -1.633 1.00 0.00 N ATOM 413 CA ALA A 25 0.616 -4.374 -2.251 1.00 0.00 C ATOM 414 C ALA A 25 0.806 -3.153 -1.357 1.00 0.00 C ATOM 415 O ALA A 25 1.233 -2.095 -1.819 1.00 0.00 O ATOM 416 CB ALA A 25 -0.860 -4.583 -2.556 1.00 0.00 C ATOM 0 H ALA A 25 0.505 -6.320 -1.478 1.00 0.00 H new ATOM 0 HA ALA A 25 1.147 -4.193 -3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.267 -3.683 -3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.975 -5.425 -3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.397 -4.791 -1.630 1.00 0.00 H new ATOM 422 N ILE A 26 0.486 -3.307 -0.077 1.00 0.00 N ATOM 423 CA ILE A 26 0.621 -2.217 0.881 1.00 0.00 C ATOM 424 C ILE A 26 2.085 -1.977 1.236 1.00 0.00 C ATOM 425 O ILE A 26 2.517 -0.835 1.394 1.00 0.00 O ATOM 426 CB ILE A 26 -0.169 -2.500 2.172 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.596 -2.936 1.836 1.00 0.00 C ATOM 428 CG2 ILE A 26 -0.182 -1.271 3.068 1.00 0.00 C ATOM 429 CD1 ILE A 26 -2.429 -3.272 3.054 1.00 0.00 C ATOM 0 H ILE A 26 0.131 -4.177 0.321 1.00 0.00 H new ATOM 0 HA ILE A 26 0.213 -1.325 0.405 1.00 0.00 H new ATOM 0 HB ILE A 26 0.322 -3.311 2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.088 -2.140 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.556 -3.807 1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.745 -1.489 3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.841 -1.001 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.652 -0.441 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.428 -3.573 2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.960 -4.089 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.500 -2.396 3.699 1.00 0.00 H new ATOM 441 N PHE A 27 2.844 -3.061 1.360 1.00 0.00 N ATOM 442 CA PHE A 27 4.260 -2.969 1.694 1.00 0.00 C ATOM 443 C PHE A 27 5.096 -3.845 0.763 1.00 0.00 C ATOM 444 O PHE A 27 5.595 -4.896 1.167 1.00 0.00 O ATOM 445 CB PHE A 27 4.491 -3.383 3.149 1.00 0.00 C ATOM 446 CG PHE A 27 5.638 -2.666 3.804 1.00 0.00 C ATOM 447 CD1 PHE A 27 6.838 -2.491 3.132 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.517 -2.169 5.091 1.00 0.00 C ATOM 449 CE1 PHE A 27 7.895 -1.833 3.732 1.00 0.00 C ATOM 450 CE2 PHE A 27 6.570 -1.510 5.697 1.00 0.00 C ATOM 451 CZ PHE A 27 7.760 -1.342 5.016 1.00 0.00 C ATOM 0 H PHE A 27 2.502 -4.014 1.234 1.00 0.00 H new ATOM 0 HA PHE A 27 4.572 -1.933 1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.582 -3.195 3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.675 -4.457 3.188 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.948 -2.873 2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.589 -2.298 5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.825 -1.703 3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.463 -1.127 6.701 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.584 -0.827 5.487 1.00 0.00 H new ATOM 461 N PRO A 28 5.258 -3.423 -0.502 1.00 0.00 N ATOM 462 CA PRO A 28 6.036 -4.176 -1.494 1.00 0.00 C ATOM 463 C PRO A 28 7.458 -4.459 -1.022 1.00 0.00 C ATOM 464 O PRO A 28 7.849 -5.614 -0.858 1.00 0.00 O ATOM 465 CB PRO A 28 6.051 -3.252 -2.716 1.00 0.00 C ATOM 466 CG PRO A 28 4.861 -2.374 -2.548 1.00 0.00 C ATOM 467 CD PRO A 28 4.694 -2.183 -1.067 1.00 0.00 C ATOM 0 HA PRO A 28 5.601 -5.156 -1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.970 -2.668 -2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.993 -3.822 -3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.007 -1.418 -3.051 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.973 -2.832 -2.985 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.226 -1.300 -0.712 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.647 -2.055 -0.793 1.00 0.00 H new ATOM 475 N THR A 29 8.227 -3.397 -0.807 1.00 0.00 N ATOM 476 CA THR A 29 9.607 -3.532 -0.356 1.00 0.00 C ATOM 477 C THR A 29 9.673 -4.257 0.987 1.00 0.00 C ATOM 478 O THR A 29 8.767 -4.138 1.811 1.00 0.00 O ATOM 479 CB THR A 29 10.264 -2.156 -0.238 1.00 0.00 C ATOM 480 OG1 THR A 29 9.339 -1.199 0.245 1.00 0.00 O ATOM 481 CG2 THR A 29 10.814 -1.641 -1.552 1.00 0.00 C ATOM 0 H THR A 29 7.918 -2.434 -0.938 1.00 0.00 H new ATOM 0 HA THR A 29 10.148 -4.123 -1.095 1.00 0.00 H new ATOM 0 HB THR A 29 11.093 -2.290 0.457 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.778 -0.326 0.315 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.266 -0.661 -1.398 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.567 -2.333 -1.927 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.005 -1.557 -2.277 1.00 0.00 H new ATOM 489 N PRO A 30 10.755 -5.020 1.225 1.00 0.00 N ATOM 490 CA PRO A 30 10.935 -5.764 2.475 1.00 0.00 C ATOM 491 C PRO A 30 11.235 -4.847 3.657 1.00 0.00 C ATOM 492 O PRO A 30 11.885 -3.813 3.503 1.00 0.00 O ATOM 493 CB PRO A 30 12.133 -6.667 2.182 1.00 0.00 C ATOM 494 CG PRO A 30 12.903 -5.941 1.133 1.00 0.00 C ATOM 495 CD PRO A 30 11.885 -5.216 0.297 1.00 0.00 C ATOM 0 HA PRO A 30 10.034 -6.308 2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.736 -6.829 3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.813 -7.648 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.609 -5.242 1.581 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.484 -6.635 0.525 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.271 -4.266 -0.072 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.592 -5.801 -0.575 1.00 0.00 H new ATOM 503 N ASP A 31 10.757 -5.233 4.835 1.00 0.00 N ATOM 504 CA ASP A 31 10.974 -4.446 6.042 1.00 0.00 C ATOM 505 C ASP A 31 11.000 -5.342 7.279 1.00 0.00 C ATOM 506 O ASP A 31 9.958 -5.618 7.874 1.00 0.00 O ATOM 507 CB ASP A 31 9.879 -3.387 6.189 1.00 0.00 C ATOM 508 CG ASP A 31 10.367 -2.148 6.913 1.00 0.00 C ATOM 509 OD1 ASP A 31 10.879 -1.229 6.240 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.236 -2.095 8.154 1.00 0.00 O ATOM 0 H ASP A 31 10.217 -6.086 4.979 1.00 0.00 H new ATOM 0 HA ASP A 31 11.941 -3.950 5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.513 -3.107 5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.036 -3.813 6.732 1.00 0.00 H new ATOM 515 N PRO A 32 12.193 -5.812 7.684 1.00 0.00 N ATOM 516 CA PRO A 32 12.339 -6.680 8.858 1.00 0.00 C ATOM 517 C PRO A 32 11.905 -5.986 10.143 1.00 0.00 C ATOM 518 O PRO A 32 11.505 -6.637 11.108 1.00 0.00 O ATOM 519 CB PRO A 32 13.838 -6.995 8.897 1.00 0.00 C ATOM 520 CG PRO A 32 14.483 -5.915 8.098 1.00 0.00 C ATOM 521 CD PRO A 32 13.489 -5.535 7.039 1.00 0.00 C ATOM 0 HA PRO A 32 11.712 -7.569 8.785 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.212 -7.005 9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.046 -7.977 8.472 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.730 -5.059 8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.415 -6.263 7.652 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.583 -4.487 6.756 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.622 -6.124 6.131 1.00 0.00 H new ATOM 529 N ALA A 33 11.983 -4.659 10.150 1.00 0.00 N ATOM 530 CA ALA A 33 11.594 -3.875 11.315 1.00 0.00 C ATOM 531 C ALA A 33 10.079 -3.717 11.386 1.00 0.00 C ATOM 532 O ALA A 33 9.514 -3.552 12.468 1.00 0.00 O ATOM 533 CB ALA A 33 12.270 -2.513 11.282 1.00 0.00 C ATOM 0 H ALA A 33 12.313 -4.104 9.360 1.00 0.00 H new ATOM 0 HA ALA A 33 11.920 -4.407 12.209 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.971 -1.937 12.158 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.352 -2.644 11.286 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.972 -1.981 10.379 1.00 0.00 H new ATOM 539 N ALA A 34 9.427 -3.766 10.229 1.00 0.00 N ATOM 540 CA ALA A 34 7.978 -3.628 10.163 1.00 0.00 C ATOM 541 C ALA A 34 7.284 -4.789 10.865 1.00 0.00 C ATOM 542 O ALA A 34 6.217 -4.622 11.456 1.00 0.00 O ATOM 543 CB ALA A 34 7.522 -3.534 8.715 1.00 0.00 C ATOM 0 H ALA A 34 9.880 -3.900 9.325 1.00 0.00 H new ATOM 0 HA ALA A 34 7.701 -2.709 10.679 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.437 -3.431 8.681 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.984 -2.666 8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.818 -4.437 8.181 1.00 0.00 H new ATOM 549 N LEU A 35 7.897 -5.967 10.797 1.00 0.00 N ATOM 550 CA LEU A 35 7.337 -7.157 11.428 1.00 0.00 C ATOM 551 C LEU A 35 7.191 -6.952 12.932 1.00 0.00 C ATOM 552 O LEU A 35 6.282 -7.495 13.558 1.00 0.00 O ATOM 553 CB LEU A 35 8.220 -8.375 11.149 1.00 0.00 C ATOM 554 CG LEU A 35 8.776 -8.465 9.724 1.00 0.00 C ATOM 555 CD1 LEU A 35 9.457 -9.807 9.503 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.667 -8.255 8.704 1.00 0.00 C ATOM 0 H LEU A 35 8.781 -6.123 10.312 1.00 0.00 H new ATOM 0 HA LEU A 35 6.349 -7.333 11.004 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.056 -8.365 11.848 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.643 -9.277 11.354 1.00 0.00 H new ATOM 0 HG LEU A 35 9.517 -7.676 9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.846 -9.854 8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.278 -9.920 10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.736 -10.610 9.653 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.081 -8.322 7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.903 -9.021 8.834 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.222 -7.271 8.848 1.00 0.00 H new ATOM 568 N LYS A 36 8.095 -6.163 13.505 1.00 0.00 N ATOM 569 CA LYS A 36 8.068 -5.883 14.936 1.00 0.00 C ATOM 570 C LYS A 36 7.201 -4.663 15.235 1.00 0.00 C ATOM 571 O LYS A 36 6.670 -4.522 16.336 1.00 0.00 O ATOM 572 CB LYS A 36 9.488 -5.654 15.458 1.00 0.00 C ATOM 573 CG LYS A 36 10.162 -6.921 15.960 1.00 0.00 C ATOM 574 CD LYS A 36 11.220 -7.415 14.986 1.00 0.00 C ATOM 575 CE LYS A 36 10.593 -8.106 13.785 1.00 0.00 C ATOM 576 NZ LYS A 36 11.568 -8.981 13.077 1.00 0.00 N ATOM 0 H LYS A 36 8.855 -5.707 13.000 1.00 0.00 H new ATOM 0 HA LYS A 36 7.636 -6.746 15.443 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.094 -5.221 14.662 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.456 -4.924 16.267 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.620 -6.730 16.930 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.412 -7.698 16.109 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.826 -6.574 14.648 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.891 -8.107 15.496 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.741 -8.702 14.113 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.210 -7.356 13.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.115 -9.887 12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.882 -8.514 12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.389 -9.154 13.691 1.00 0.00 H new ATOM 590 N ASP A 37 7.062 -3.782 14.247 1.00 0.00 N ATOM 591 CA ASP A 37 6.258 -2.574 14.409 1.00 0.00 C ATOM 592 C ASP A 37 4.815 -2.923 14.758 1.00 0.00 C ATOM 593 O ASP A 37 4.261 -3.898 14.253 1.00 0.00 O ATOM 594 CB ASP A 37 6.297 -1.738 13.128 1.00 0.00 C ATOM 595 CG ASP A 37 5.996 -0.275 13.386 1.00 0.00 C ATOM 596 OD1 ASP A 37 4.804 0.098 13.372 1.00 0.00 O ATOM 597 OD2 ASP A 37 6.952 0.499 13.601 1.00 0.00 O ATOM 0 H ASP A 37 7.494 -3.882 13.329 1.00 0.00 H new ATOM 0 HA ASP A 37 6.680 -1.993 15.229 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.281 -1.828 12.668 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.574 -2.135 12.416 1.00 0.00 H new ATOM 602 N ARG A 38 4.212 -2.118 15.628 1.00 0.00 N ATOM 603 CA ARG A 38 2.833 -2.341 16.046 1.00 0.00 C ATOM 604 C ARG A 38 1.866 -2.077 14.897 1.00 0.00 C ATOM 605 O ARG A 38 0.796 -2.682 14.824 1.00 0.00 O ATOM 606 CB ARG A 38 2.489 -1.442 17.235 1.00 0.00 C ATOM 607 CG ARG A 38 3.362 -1.685 18.455 1.00 0.00 C ATOM 608 CD ARG A 38 2.923 -2.925 19.217 1.00 0.00 C ATOM 609 NE ARG A 38 3.722 -4.097 18.864 1.00 0.00 N ATOM 610 CZ ARG A 38 3.779 -5.203 19.599 1.00 0.00 C ATOM 611 NH1 ARG A 38 3.086 -5.295 20.728 1.00 0.00 N ATOM 612 NH2 ARG A 38 4.530 -6.223 19.206 1.00 0.00 N ATOM 0 H ARG A 38 4.657 -1.306 16.057 1.00 0.00 H new ATOM 0 HA ARG A 38 2.734 -3.384 16.346 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.586 -0.400 16.931 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.446 -1.599 17.508 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.401 -1.797 18.144 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.318 -0.818 19.114 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.005 -2.740 20.288 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.872 -3.126 19.007 1.00 0.00 H new ATOM 0 HE ARG A 38 4.268 -4.064 18.003 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.506 -4.514 21.035 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.134 -6.146 21.288 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.064 -6.159 18.339 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.573 -7.072 19.770 1.00 0.00 H new ATOM 626 N ARG A 39 2.247 -1.171 14.002 1.00 0.00 N ATOM 627 CA ARG A 39 1.410 -0.829 12.858 1.00 0.00 C ATOM 628 C ARG A 39 1.128 -2.060 12.001 1.00 0.00 C ATOM 629 O ARG A 39 0.016 -2.241 11.505 1.00 0.00 O ATOM 630 CB ARG A 39 2.085 0.252 12.011 1.00 0.00 C ATOM 631 CG ARG A 39 1.252 0.698 10.818 1.00 0.00 C ATOM 632 CD ARG A 39 2.014 0.541 9.511 1.00 0.00 C ATOM 633 NE ARG A 39 2.532 -0.813 9.338 1.00 0.00 N ATOM 634 CZ ARG A 39 2.863 -1.337 8.160 1.00 0.00 C ATOM 635 NH1 ARG A 39 2.732 -0.625 7.047 1.00 0.00 N ATOM 636 NH2 ARG A 39 3.328 -2.577 8.094 1.00 0.00 N ATOM 0 H ARG A 39 3.129 -0.661 14.047 1.00 0.00 H new ATOM 0 HA ARG A 39 0.462 -0.447 13.235 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.295 1.117 12.640 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.044 -0.124 11.654 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.333 0.113 10.776 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.961 1.740 10.947 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.357 0.787 8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.841 1.251 9.486 1.00 0.00 H new ATOM 0 HE ARG A 39 2.647 -1.392 10.170 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.376 0.330 7.091 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.988 -1.033 6.148 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.432 -3.129 8.946 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.582 -2.979 7.192 1.00 0.00 H new ATOM 650 N MET A 40 2.142 -2.901 11.831 1.00 0.00 N ATOM 651 CA MET A 40 2.002 -4.116 11.033 1.00 0.00 C ATOM 652 C MET A 40 0.915 -5.019 11.604 1.00 0.00 C ATOM 653 O MET A 40 0.271 -5.771 10.870 1.00 0.00 O ATOM 654 CB MET A 40 3.331 -4.870 10.975 1.00 0.00 C ATOM 655 CG MET A 40 3.291 -6.108 10.094 1.00 0.00 C ATOM 656 SD MET A 40 2.753 -5.746 8.412 1.00 0.00 S ATOM 657 CE MET A 40 4.315 -5.336 7.637 1.00 0.00 C ATOM 0 H MET A 40 3.069 -2.765 12.234 1.00 0.00 H new ATOM 0 HA MET A 40 1.714 -3.826 10.023 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.105 -4.197 10.606 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.618 -5.162 11.985 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.282 -6.561 10.065 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.618 -6.843 10.536 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.129 -4.838 6.685 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.882 -4.672 8.290 1.00 0.00 H new ATOM 0 HE3 MET A 40 4.886 -6.248 7.464 1.00 0.00 H new ATOM 667 N GLU A 41 0.712 -4.941 12.915 1.00 0.00 N ATOM 668 CA GLU A 41 -0.301 -5.752 13.581 1.00 0.00 C ATOM 669 C GLU A 41 -1.677 -5.515 12.966 1.00 0.00 C ATOM 670 O GLU A 41 -2.515 -6.415 12.925 1.00 0.00 O ATOM 671 CB GLU A 41 -0.337 -5.436 15.078 1.00 0.00 C ATOM 672 CG GLU A 41 -0.726 -6.625 15.942 1.00 0.00 C ATOM 673 CD GLU A 41 0.478 -7.397 16.446 1.00 0.00 C ATOM 674 OE1 GLU A 41 1.283 -6.814 17.201 1.00 0.00 O ATOM 675 OE2 GLU A 41 0.613 -8.585 16.086 1.00 0.00 O ATOM 0 H GLU A 41 1.235 -4.325 13.537 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.037 -6.801 13.446 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.644 -5.077 15.389 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.043 -4.624 15.253 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.311 -6.276 16.793 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.367 -7.293 15.367 1.00 0.00 H new ATOM 682 N ASN A 42 -1.899 -4.295 12.486 1.00 0.00 N ATOM 683 CA ASN A 42 -3.170 -3.936 11.869 1.00 0.00 C ATOM 684 C ASN A 42 -3.234 -4.436 10.430 1.00 0.00 C ATOM 685 O ASN A 42 -4.301 -4.795 9.933 1.00 0.00 O ATOM 686 CB ASN A 42 -3.368 -2.419 11.904 1.00 0.00 C ATOM 687 CG ASN A 42 -3.936 -1.941 13.226 1.00 0.00 C ATOM 688 OD1 ASN A 42 -3.529 -2.401 14.293 1.00 0.00 O ATOM 689 ND2 ASN A 42 -4.883 -1.013 13.162 1.00 0.00 N ATOM 0 H ASN A 42 -1.215 -3.539 12.513 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.969 -4.412 12.437 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.413 -1.926 11.723 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.037 -2.124 11.096 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.303 -0.653 14.019 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.190 -0.660 12.256 1.00 0.00 H new ATOM 696 N LEU A 43 -2.083 -4.457 9.765 1.00 0.00 N ATOM 697 CA LEU A 43 -2.008 -4.914 8.382 1.00 0.00 C ATOM 698 C LEU A 43 -2.458 -6.367 8.266 1.00 0.00 C ATOM 699 O LEU A 43 -3.197 -6.727 7.349 1.00 0.00 O ATOM 700 CB LEU A 43 -0.581 -4.760 7.849 1.00 0.00 C ATOM 701 CG LEU A 43 -0.466 -4.014 6.518 1.00 0.00 C ATOM 702 CD1 LEU A 43 0.978 -3.615 6.255 1.00 0.00 C ATOM 703 CD2 LEU A 43 -1.000 -4.871 5.380 1.00 0.00 C ATOM 0 H LEU A 43 -1.190 -4.163 10.161 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.678 -4.298 7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.015 -4.235 8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.144 -5.752 7.732 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.068 -3.107 6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.042 -3.085 5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.328 -2.965 7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.601 -4.509 6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.911 -4.325 4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.425 -5.795 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.048 -5.108 5.564 1.00 0.00 H new ATOM 715 N VAL A 44 -2.009 -7.195 9.202 1.00 0.00 N ATOM 716 CA VAL A 44 -2.365 -8.609 9.206 1.00 0.00 C ATOM 717 C VAL A 44 -3.873 -8.794 9.322 1.00 0.00 C ATOM 718 O VAL A 44 -4.503 -9.396 8.452 1.00 0.00 O ATOM 719 CB VAL A 44 -1.678 -9.357 10.364 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.918 -10.854 10.253 1.00 0.00 C ATOM 721 CG2 VAL A 44 -0.189 -9.047 10.391 1.00 0.00 C ATOM 0 H VAL A 44 -1.398 -6.912 9.968 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.021 -9.025 8.259 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.114 -9.014 11.302 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.424 -11.364 11.080 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.989 -11.055 10.290 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.513 -11.218 9.309 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.280 -9.584 11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.265 -9.359 9.450 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.043 -7.975 10.527 1.00 0.00 H new ATOM 731 N ALA A 45 -4.448 -8.271 10.401 1.00 0.00 N ATOM 732 CA ALA A 45 -5.884 -8.377 10.632 1.00 0.00 C ATOM 733 C ALA A 45 -6.676 -7.835 9.446 1.00 0.00 C ATOM 734 O ALA A 45 -7.655 -8.440 9.012 1.00 0.00 O ATOM 735 CB ALA A 45 -6.269 -7.639 11.906 1.00 0.00 C ATOM 0 H ALA A 45 -3.940 -7.769 11.130 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.130 -9.433 10.746 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.344 -7.726 12.066 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.739 -8.075 12.753 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.000 -6.587 11.812 1.00 0.00 H new ATOM 741 N TYR A 46 -6.241 -6.691 8.925 1.00 0.00 N ATOM 742 CA TYR A 46 -6.907 -6.068 7.787 1.00 0.00 C ATOM 743 C TYR A 46 -6.895 -6.997 6.578 1.00 0.00 C ATOM 744 O TYR A 46 -7.945 -7.335 6.030 1.00 0.00 O ATOM 745 CB TYR A 46 -6.228 -4.743 7.436 1.00 0.00 C ATOM 746 CG TYR A 46 -6.854 -4.033 6.257 1.00 0.00 C ATOM 747 CD1 TYR A 46 -7.939 -3.182 6.429 1.00 0.00 C ATOM 748 CD2 TYR A 46 -6.360 -4.212 4.971 1.00 0.00 C ATOM 749 CE1 TYR A 46 -8.515 -2.532 5.354 1.00 0.00 C ATOM 750 CE2 TYR A 46 -6.928 -3.564 3.890 1.00 0.00 C ATOM 751 CZ TYR A 46 -8.006 -2.726 4.087 1.00 0.00 C ATOM 752 OH TYR A 46 -8.574 -2.079 3.015 1.00 0.00 O ATOM 0 H TYR A 46 -5.431 -6.178 9.273 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.943 -5.874 8.063 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.263 -4.086 8.305 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.176 -4.930 7.220 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.339 -3.026 7.420 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.517 -4.869 4.813 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.359 -1.876 5.505 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.530 -3.713 2.897 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.070 -1.295 3.331 1.00 0.00 H new ATOM 762 N ALA A 47 -5.700 -7.410 6.168 1.00 0.00 N ATOM 763 CA ALA A 47 -5.550 -8.302 5.025 1.00 0.00 C ATOM 764 C ALA A 47 -6.215 -9.648 5.288 1.00 0.00 C ATOM 765 O ALA A 47 -6.675 -10.317 4.362 1.00 0.00 O ATOM 766 CB ALA A 47 -4.077 -8.493 4.696 1.00 0.00 C ATOM 0 H ALA A 47 -4.821 -7.141 6.611 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.046 -7.844 4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.979 -9.161 3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.630 -7.528 4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.565 -8.926 5.555 1.00 0.00 H new ATOM 772 N LYS A 48 -6.260 -10.043 6.557 1.00 0.00 N ATOM 773 CA LYS A 48 -6.867 -11.312 6.943 1.00 0.00 C ATOM 774 C LYS A 48 -8.368 -11.307 6.670 1.00 0.00 C ATOM 775 O LYS A 48 -8.933 -12.312 6.238 1.00 0.00 O ATOM 776 CB LYS A 48 -6.609 -11.595 8.424 1.00 0.00 C ATOM 777 CG LYS A 48 -5.327 -12.371 8.680 1.00 0.00 C ATOM 778 CD LYS A 48 -4.969 -12.383 10.156 1.00 0.00 C ATOM 779 CE LYS A 48 -6.054 -13.050 10.988 1.00 0.00 C ATOM 780 NZ LYS A 48 -6.994 -12.055 11.573 1.00 0.00 N ATOM 0 H LYS A 48 -5.883 -9.502 7.335 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.411 -12.099 6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.566 -10.649 8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.451 -12.156 8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.443 -13.395 8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.511 -11.926 8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.025 -12.909 10.298 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.820 -11.361 10.503 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.609 -13.752 10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.594 -13.629 11.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.481 -12.476 12.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.463 -11.215 11.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.695 -11.777 10.857 1.00 0.00 H new ATOM 794 N LYS A 49 -9.009 -10.172 6.927 1.00 0.00 N ATOM 795 CA LYS A 49 -10.444 -10.041 6.710 1.00 0.00 C ATOM 796 C LYS A 49 -10.754 -9.774 5.240 1.00 0.00 C ATOM 797 O LYS A 49 -11.755 -10.256 4.710 1.00 0.00 O ATOM 798 CB LYS A 49 -11.012 -8.914 7.576 1.00 0.00 C ATOM 799 CG LYS A 49 -10.330 -7.573 7.357 1.00 0.00 C ATOM 800 CD LYS A 49 -11.163 -6.428 7.909 1.00 0.00 C ATOM 801 CE LYS A 49 -10.701 -5.087 7.359 1.00 0.00 C ATOM 802 NZ LYS A 49 -11.848 -4.190 7.047 1.00 0.00 N ATOM 0 H LYS A 49 -8.558 -9.331 7.285 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.914 -10.982 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.077 -8.809 7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.919 -9.192 8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.352 -7.578 7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.160 -7.420 6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.212 -6.585 7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.096 -6.419 8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.048 -4.602 8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.111 -5.248 6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.491 -3.287 6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.458 -4.641 6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.397 -4.015 7.913 1.00 0.00 H new ATOM 816 N VAL A 50 -9.890 -9.002 4.587 1.00 0.00 N ATOM 817 CA VAL A 50 -10.078 -8.671 3.180 1.00 0.00 C ATOM 818 C VAL A 50 -9.723 -9.848 2.280 1.00 0.00 C ATOM 819 O VAL A 50 -10.469 -10.177 1.361 1.00 0.00 O ATOM 820 CB VAL A 50 -9.231 -7.450 2.768 1.00 0.00 C ATOM 821 CG1 VAL A 50 -9.582 -7.010 1.355 1.00 0.00 C ATOM 822 CG2 VAL A 50 -9.420 -6.307 3.756 1.00 0.00 C ATOM 0 H VAL A 50 -9.055 -8.595 5.009 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.134 -8.430 3.056 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.180 -7.738 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.975 -6.147 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.386 -7.827 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.637 -6.740 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.814 -5.455 3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.470 -6.016 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.111 -6.631 4.750 1.00 0.00 H new ATOM 832 N GLU A 51 -8.584 -10.487 2.548 1.00 0.00 N ATOM 833 CA GLU A 51 -8.152 -11.632 1.750 1.00 0.00 C ATOM 834 C GLU A 51 -9.296 -12.625 1.584 1.00 0.00 C ATOM 835 O GLU A 51 -9.580 -13.079 0.475 1.00 0.00 O ATOM 836 CB GLU A 51 -6.944 -12.316 2.395 1.00 0.00 C ATOM 837 CG GLU A 51 -7.262 -13.005 3.713 1.00 0.00 C ATOM 838 CD GLU A 51 -6.029 -13.574 4.386 1.00 0.00 C ATOM 839 OE1 GLU A 51 -5.033 -12.831 4.527 1.00 0.00 O ATOM 840 OE2 GLU A 51 -6.057 -14.761 4.772 1.00 0.00 O ATOM 0 H GLU A 51 -7.949 -10.233 3.305 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.857 -11.271 0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.540 -13.051 1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.164 -11.573 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.742 -12.293 4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.978 -13.808 3.536 1.00 0.00 H new ATOM 847 N GLY A 52 -9.966 -12.937 2.688 1.00 0.00 N ATOM 848 CA GLY A 52 -11.089 -13.850 2.631 1.00 0.00 C ATOM 849 C GLY A 52 -12.197 -13.292 1.763 1.00 0.00 C ATOM 850 O GLY A 52 -12.910 -14.035 1.091 1.00 0.00 O ATOM 0 H GLY A 52 -9.752 -12.575 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.761 -14.811 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.467 -14.031 3.637 1.00 0.00 H new ATOM 854 N ASP A 53 -12.322 -11.967 1.772 1.00 0.00 N ATOM 855 CA ASP A 53 -13.328 -11.284 0.974 1.00 0.00 C ATOM 856 C ASP A 53 -12.879 -11.193 -0.482 1.00 0.00 C ATOM 857 O ASP A 53 -13.700 -11.146 -1.397 1.00 0.00 O ATOM 858 CB ASP A 53 -13.586 -9.881 1.528 1.00 0.00 C ATOM 859 CG ASP A 53 -14.720 -9.857 2.534 1.00 0.00 C ATOM 860 OD1 ASP A 53 -14.654 -10.617 3.523 1.00 0.00 O ATOM 861 OD2 ASP A 53 -15.677 -9.080 2.331 1.00 0.00 O ATOM 0 H ASP A 53 -11.734 -11.345 2.327 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.253 -11.858 1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.677 -9.507 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.819 -9.205 0.705 1.00 0.00 H new ATOM 866 N MET A 54 -11.563 -11.170 -0.683 1.00 0.00 N ATOM 867 CA MET A 54 -10.989 -11.085 -2.019 1.00 0.00 C ATOM 868 C MET A 54 -11.134 -12.412 -2.757 1.00 0.00 C ATOM 869 O MET A 54 -11.338 -12.439 -3.969 1.00 0.00 O ATOM 870 CB MET A 54 -9.512 -10.688 -1.936 1.00 0.00 C ATOM 871 CG MET A 54 -9.172 -9.441 -2.735 1.00 0.00 C ATOM 872 SD MET A 54 -9.634 -7.922 -1.881 1.00 0.00 S ATOM 873 CE MET A 54 -11.387 -7.849 -2.242 1.00 0.00 C ATOM 0 H MET A 54 -10.874 -11.209 0.068 1.00 0.00 H new ATOM 0 HA MET A 54 -11.532 -10.321 -2.576 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.247 -10.524 -0.892 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.901 -11.517 -2.294 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.102 -9.427 -2.941 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.681 -9.481 -3.698 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.730 -6.817 -2.173 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.567 -8.224 -3.249 1.00 0.00 H new ATOM 0 HE3 MET A 54 -11.932 -8.462 -1.524 1.00 0.00 H new ATOM 883 N TYR A 55 -11.023 -13.510 -2.016 1.00 0.00 N ATOM 884 CA TYR A 55 -11.139 -14.839 -2.603 1.00 0.00 C ATOM 885 C TYR A 55 -12.564 -15.087 -3.091 1.00 0.00 C ATOM 886 O TYR A 55 -12.774 -15.403 -4.257 1.00 0.00 O ATOM 887 CB TYR A 55 -10.717 -15.900 -1.572 1.00 0.00 C ATOM 888 CG TYR A 55 -11.124 -17.323 -1.910 1.00 0.00 C ATOM 889 CD1 TYR A 55 -12.429 -17.757 -1.708 1.00 0.00 C ATOM 890 CD2 TYR A 55 -10.200 -18.239 -2.412 1.00 0.00 C ATOM 891 CE1 TYR A 55 -12.804 -19.055 -1.996 1.00 0.00 C ATOM 892 CE2 TYR A 55 -10.570 -19.541 -2.704 1.00 0.00 C ATOM 893 CZ TYR A 55 -11.872 -19.942 -2.494 1.00 0.00 C ATOM 894 OH TYR A 55 -12.243 -21.236 -2.780 1.00 0.00 O ATOM 0 H TYR A 55 -10.853 -13.505 -1.010 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.476 -14.907 -3.465 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.633 -15.865 -1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -11.146 -15.636 -0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -13.163 -17.067 -1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.179 -17.928 -2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.823 -19.374 -1.832 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.843 -20.238 -3.094 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.442 -21.316 -3.736 1.00 0.00 H new ATOM 904 N GLU A 56 -13.535 -14.922 -2.196 1.00 0.00 N ATOM 905 CA GLU A 56 -14.944 -15.126 -2.536 1.00 0.00 C ATOM 906 C GLU A 56 -15.385 -14.230 -3.692 1.00 0.00 C ATOM 907 O GLU A 56 -16.271 -14.595 -4.465 1.00 0.00 O ATOM 908 CB GLU A 56 -15.822 -14.860 -1.312 1.00 0.00 C ATOM 909 CG GLU A 56 -15.918 -16.043 -0.363 1.00 0.00 C ATOM 910 CD GLU A 56 -15.892 -15.626 1.094 1.00 0.00 C ATOM 911 OE1 GLU A 56 -16.391 -14.524 1.405 1.00 0.00 O ATOM 912 OE2 GLU A 56 -15.374 -16.401 1.925 1.00 0.00 O ATOM 0 H GLU A 56 -13.373 -14.647 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.059 -16.162 -2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.425 -14.002 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.824 -14.590 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.839 -16.591 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.091 -16.727 -0.556 1.00 0.00 H new ATOM 919 N SER A 57 -14.771 -13.056 -3.805 1.00 0.00 N ATOM 920 CA SER A 57 -15.113 -12.110 -4.868 1.00 0.00 C ATOM 921 C SER A 57 -15.156 -12.797 -6.234 1.00 0.00 C ATOM 922 O SER A 57 -15.873 -12.363 -7.136 1.00 0.00 O ATOM 923 CB SER A 57 -14.106 -10.960 -4.894 1.00 0.00 C ATOM 924 OG SER A 57 -14.755 -9.718 -5.102 1.00 0.00 O ATOM 0 H SER A 57 -14.035 -12.735 -3.176 1.00 0.00 H new ATOM 0 HA SER A 57 -16.107 -11.715 -4.657 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.556 -10.933 -3.954 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.376 -11.129 -5.686 1.00 0.00 H new ATOM 0 HG SER A 57 -14.118 -8.988 -4.955 1.00 0.00 H new ATOM 930 N ALA A 58 -14.380 -13.864 -6.377 1.00 0.00 N ATOM 931 CA ALA A 58 -14.317 -14.615 -7.627 1.00 0.00 C ATOM 932 C ALA A 58 -15.256 -15.797 -7.621 1.00 0.00 C ATOM 933 O ALA A 58 -15.197 -16.647 -6.736 1.00 0.00 O ATOM 934 CB ALA A 58 -12.902 -15.096 -7.878 1.00 0.00 C ATOM 0 H ALA A 58 -13.781 -14.232 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.626 -13.941 -8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.868 -15.655 -8.813 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.232 -14.238 -7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.586 -15.741 -7.058 1.00 0.00 H new ATOM 940 N ASN A 59 -16.087 -15.882 -8.649 1.00 0.00 N ATOM 941 CA ASN A 59 -16.982 -17.014 -8.773 1.00 0.00 C ATOM 942 C ASN A 59 -16.183 -18.192 -9.290 1.00 0.00 C ATOM 943 O ASN A 59 -16.696 -19.298 -9.397 1.00 0.00 O ATOM 944 CB ASN A 59 -18.151 -16.738 -9.722 1.00 0.00 C ATOM 945 CG ASN A 59 -19.162 -15.774 -9.133 1.00 0.00 C ATOM 946 OD1 ASN A 59 -18.801 -14.833 -8.427 1.00 0.00 O ATOM 947 ND2 ASN A 59 -20.438 -16.004 -9.422 1.00 0.00 N ATOM 0 H ASN A 59 -16.158 -15.191 -9.396 1.00 0.00 H new ATOM 0 HA ASN A 59 -17.410 -17.220 -7.792 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.767 -16.330 -10.657 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.648 -17.677 -9.964 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -21.163 -15.388 -9.054 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.693 -16.796 -10.012 1.00 0.00 H new ATOM 954 N SER A 60 -14.912 -17.934 -9.618 1.00 0.00 N ATOM 955 CA SER A 60 -14.032 -18.976 -10.134 1.00 0.00 C ATOM 956 C SER A 60 -12.571 -18.659 -9.838 1.00 0.00 C ATOM 957 O SER A 60 -12.254 -17.623 -9.253 1.00 0.00 O ATOM 958 CB SER A 60 -14.234 -19.143 -11.641 1.00 0.00 C ATOM 959 OG SER A 60 -15.571 -19.505 -11.940 1.00 0.00 O ATOM 0 H SER A 60 -14.476 -17.016 -9.534 1.00 0.00 H new ATOM 0 HA SER A 60 -14.288 -19.909 -9.632 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.984 -18.212 -12.150 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.554 -19.906 -12.020 1.00 0.00 H new ATOM 0 HG SER A 60 -16.030 -19.770 -11.116 1.00 0.00 H new ATOM 965 N ARG A 61 -11.685 -19.562 -10.244 1.00 0.00 N ATOM 966 CA ARG A 61 -10.255 -19.385 -10.022 1.00 0.00 C ATOM 967 C ARG A 61 -9.719 -18.216 -10.844 1.00 0.00 C ATOM 968 O ARG A 61 -9.186 -17.251 -10.297 1.00 0.00 O ATOM 969 CB ARG A 61 -9.502 -20.666 -10.389 1.00 0.00 C ATOM 970 CG ARG A 61 -8.105 -20.761 -9.786 1.00 0.00 C ATOM 971 CD ARG A 61 -7.195 -19.641 -10.264 1.00 0.00 C ATOM 972 NE ARG A 61 -7.164 -19.538 -11.722 1.00 0.00 N ATOM 973 CZ ARG A 61 -6.328 -18.747 -12.391 1.00 0.00 C ATOM 974 NH1 ARG A 61 -5.455 -17.989 -11.740 1.00 0.00 N ATOM 975 NH2 ARG A 61 -6.364 -18.715 -13.716 1.00 0.00 N ATOM 0 H ARG A 61 -11.932 -20.425 -10.729 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.099 -19.167 -8.966 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.087 -21.525 -10.061 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.423 -20.730 -11.474 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.178 -20.729 -8.699 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.663 -21.722 -10.048 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.534 -18.695 -9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.185 -19.812 -9.892 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.821 -20.105 -12.258 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.422 -18.010 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.817 -17.385 -12.259 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.032 -19.296 -14.222 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.724 -18.109 -14.229 1.00 0.00 H new ATOM 989 N ASP A 62 -9.854 -18.319 -12.164 1.00 0.00 N ATOM 990 CA ASP A 62 -9.376 -17.279 -13.074 1.00 0.00 C ATOM 991 C ASP A 62 -9.797 -15.887 -12.607 1.00 0.00 C ATOM 992 O ASP A 62 -8.979 -14.969 -12.551 1.00 0.00 O ATOM 993 CB ASP A 62 -9.903 -17.533 -14.487 1.00 0.00 C ATOM 994 CG ASP A 62 -9.016 -16.920 -15.553 1.00 0.00 C ATOM 995 OD1 ASP A 62 -7.789 -17.152 -15.510 1.00 0.00 O ATOM 996 OD2 ASP A 62 -9.547 -16.209 -16.431 1.00 0.00 O ATOM 0 H ASP A 62 -10.292 -19.114 -12.629 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.287 -17.318 -13.079 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.980 -18.607 -14.656 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.909 -17.124 -14.576 1.00 0.00 H new ATOM 1001 N GLU A 63 -11.075 -15.736 -12.278 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.599 -14.454 -11.822 1.00 0.00 C ATOM 1003 C GLU A 63 -10.867 -13.975 -10.571 1.00 0.00 C ATOM 1004 O GLU A 63 -10.659 -12.777 -10.385 1.00 0.00 O ATOM 1005 CB GLU A 63 -13.099 -14.564 -11.543 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.732 -13.259 -11.087 1.00 0.00 C ATOM 1007 CD GLU A 63 -14.333 -12.471 -12.233 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -13.561 -11.963 -13.074 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -15.576 -12.362 -12.292 1.00 0.00 O ATOM 0 H GLU A 63 -11.767 -16.485 -12.318 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.436 -13.722 -12.613 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.604 -14.906 -12.446 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.263 -15.324 -10.779 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.508 -13.473 -10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.979 -12.649 -10.587 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.481 -14.917 -9.716 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.775 -14.587 -8.482 1.00 0.00 C ATOM 1018 C TYR A 64 -8.386 -14.023 -8.778 1.00 0.00 C ATOM 1019 O TYR A 64 -7.860 -13.217 -8.011 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.661 -15.828 -7.590 1.00 0.00 C ATOM 1021 CG TYR A 64 -8.803 -15.624 -6.361 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.063 -14.590 -5.471 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -7.728 -16.463 -6.094 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.278 -14.397 -4.350 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -6.940 -16.279 -4.975 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.217 -15.245 -4.106 1.00 0.00 C ATOM 1027 OH TYR A 64 -6.434 -15.057 -2.990 1.00 0.00 O ATOM 0 H TYR A 64 -10.645 -15.914 -9.855 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.348 -13.822 -7.958 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.660 -16.131 -7.277 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.248 -16.648 -8.177 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.893 -13.925 -5.658 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.505 -17.273 -6.773 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.494 -13.587 -3.669 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.110 -16.942 -4.781 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.731 -15.739 -2.965 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.798 -14.452 -9.888 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.470 -13.988 -10.275 1.00 0.00 C ATOM 1039 C TYR A 65 -6.531 -12.590 -10.883 1.00 0.00 C ATOM 1040 O TYR A 65 -5.700 -11.733 -10.578 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.835 -14.964 -11.268 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.413 -15.340 -10.920 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -4.128 -16.076 -9.775 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -3.354 -14.960 -11.735 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.829 -16.422 -9.453 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -2.052 -15.303 -11.420 1.00 0.00 C ATOM 1047 CZ TYR A 65 -1.796 -16.033 -10.279 1.00 0.00 C ATOM 1048 OH TYR A 65 -0.501 -16.376 -9.963 1.00 0.00 O ATOM 0 H TYR A 65 -8.218 -15.119 -10.535 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.855 -13.943 -9.376 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.441 -15.869 -11.313 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.851 -14.519 -12.263 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.935 -16.382 -9.126 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.551 -14.387 -12.629 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.625 -16.994 -8.560 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.240 -15.001 -12.065 1.00 0.00 H new ATOM 0 HH TYR A 65 0.106 -16.026 -10.648 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.516 -12.365 -11.746 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.680 -11.071 -12.399 1.00 0.00 C ATOM 1060 C HIS A 66 -8.353 -10.066 -11.469 1.00 0.00 C ATOM 1061 O HIS A 66 -8.110 -8.863 -11.560 1.00 0.00 O ATOM 1062 CB HIS A 66 -8.502 -11.225 -13.680 1.00 0.00 C ATOM 1063 CG HIS A 66 -8.556 -9.980 -14.510 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -7.695 -9.738 -15.561 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -9.375 -8.904 -14.442 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -7.983 -8.566 -16.101 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -8.998 -8.041 -15.441 1.00 0.00 N ATOM 0 H HIS A 66 -8.213 -13.062 -12.010 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.689 -10.694 -12.651 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.080 -12.032 -14.278 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.518 -11.521 -13.417 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -10.176 -8.753 -13.734 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.474 -8.115 -16.940 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -9.432 -7.140 -15.641 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.200 -10.567 -10.575 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.910 -9.711 -9.631 1.00 0.00 C ATOM 1078 C LEU A 67 -8.967 -9.189 -8.550 1.00 0.00 C ATOM 1079 O LEU A 67 -8.865 -7.981 -8.333 1.00 0.00 O ATOM 1080 CB LEU A 67 -11.066 -10.484 -8.989 1.00 0.00 C ATOM 1081 CG LEU A 67 -11.791 -9.751 -7.857 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -13.288 -10.010 -7.926 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -11.235 -10.177 -6.507 1.00 0.00 C ATOM 0 H LEU A 67 -9.411 -11.561 -10.485 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.309 -8.857 -10.178 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.792 -10.731 -9.764 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.681 -11.427 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 67 -11.624 -8.680 -7.976 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -13.787 -9.481 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.675 -9.655 -8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.477 -11.079 -7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.761 -9.647 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.373 -11.251 -6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.172 -9.939 -6.460 1.00 0.00 H new ATOM 1095 N LEU A 68 -8.285 -10.106 -7.874 1.00 0.00 N ATOM 1096 CA LEU A 68 -7.355 -9.739 -6.812 1.00 0.00 C ATOM 1097 C LEU A 68 -6.260 -8.813 -7.335 1.00 0.00 C ATOM 1098 O LEU A 68 -5.820 -7.901 -6.636 1.00 0.00 O ATOM 1099 CB LEU A 68 -6.731 -10.995 -6.199 1.00 0.00 C ATOM 1100 CG LEU A 68 -6.372 -10.885 -4.716 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -5.675 -12.149 -4.241 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -5.496 -9.665 -4.470 1.00 0.00 C ATOM 0 H LEU A 68 -8.358 -11.109 -8.042 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.914 -9.205 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.424 -11.826 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.829 -11.243 -6.758 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.293 -10.767 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.427 -12.053 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.336 -13.004 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.761 -12.298 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.250 -9.602 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.578 -9.753 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.032 -8.765 -4.772 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.825 -9.053 -8.568 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.783 -8.239 -9.182 1.00 0.00 C ATOM 1116 C ALA A 69 -5.195 -6.772 -9.246 1.00 0.00 C ATOM 1117 O ALA A 69 -4.361 -5.876 -9.106 1.00 0.00 O ATOM 1118 CB ALA A 69 -4.459 -8.759 -10.575 1.00 0.00 C ATOM 0 H ALA A 69 -6.178 -9.804 -9.161 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.890 -8.311 -8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.679 -8.142 -11.022 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.111 -9.790 -10.507 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.354 -8.718 -11.196 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.485 -6.532 -9.453 1.00 0.00 N ATOM 1125 CA GLU A 70 -7.008 -5.172 -9.533 1.00 0.00 C ATOM 1126 C GLU A 70 -6.706 -4.399 -8.252 1.00 0.00 C ATOM 1127 O GLU A 70 -6.308 -3.235 -8.298 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.517 -5.197 -9.783 1.00 0.00 C ATOM 1129 CG GLU A 70 -9.005 -4.063 -10.669 1.00 0.00 C ATOM 1130 CD GLU A 70 -9.265 -4.508 -12.095 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -9.963 -5.528 -12.280 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -8.775 -3.836 -13.026 1.00 0.00 O ATOM 0 H GLU A 70 -7.189 -7.261 -9.569 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.518 -4.668 -10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.785 -6.148 -10.243 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.036 -5.149 -8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.921 -3.647 -10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.264 -3.264 -10.671 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.895 -5.056 -7.112 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.639 -4.432 -5.819 1.00 0.00 C ATOM 1141 C LYS A 71 -5.167 -4.059 -5.682 1.00 0.00 C ATOM 1142 O LYS A 71 -4.829 -2.902 -5.432 1.00 0.00 O ATOM 1143 CB LYS A 71 -7.050 -5.371 -4.684 1.00 0.00 C ATOM 1144 CG LYS A 71 -8.461 -5.916 -4.827 1.00 0.00 C ATOM 1145 CD LYS A 71 -9.482 -4.796 -4.941 1.00 0.00 C ATOM 1146 CE LYS A 71 -9.484 -3.915 -3.703 1.00 0.00 C ATOM 1147 NZ LYS A 71 -9.863 -4.676 -2.481 1.00 0.00 N ATOM 0 H LYS A 71 -7.224 -6.020 -7.057 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.234 -3.521 -5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.350 -6.205 -4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.969 -4.839 -3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.518 -6.553 -5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.700 -6.541 -3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.262 -4.190 -5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.475 -5.221 -5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.495 -3.478 -3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.180 -3.089 -3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.789 -4.347 -2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.918 -5.690 -2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.148 -4.524 -1.742 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.294 -5.047 -5.851 1.00 0.00 N ATOM 1162 CA ILE A 72 -2.858 -4.823 -5.751 1.00 0.00 C ATOM 1163 C ILE A 72 -2.385 -3.863 -6.837 1.00 0.00 C ATOM 1164 O ILE A 72 -1.436 -3.101 -6.640 1.00 0.00 O ATOM 1165 CB ILE A 72 -2.072 -6.144 -5.866 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -2.612 -7.174 -4.872 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -0.587 -5.905 -5.630 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -2.565 -8.595 -5.389 1.00 0.00 C ATOM 0 H ILE A 72 -4.557 -6.011 -6.058 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.668 -4.386 -4.771 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.201 -6.535 -6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.036 -7.113 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.642 -6.921 -4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.049 -6.849 -5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.209 -5.203 -6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.439 -5.492 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.963 -9.271 -4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.165 -8.672 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.533 -8.867 -5.612 1.00 0.00 H new ATOM 1180 N TYR A 73 -3.054 -3.904 -7.984 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.708 -3.039 -9.106 1.00 0.00 C ATOM 1182 C TYR A 73 -3.136 -1.600 -8.830 1.00 0.00 C ATOM 1183 O TYR A 73 -2.436 -0.654 -9.193 1.00 0.00 O ATOM 1184 CB TYR A 73 -3.372 -3.557 -10.387 1.00 0.00 C ATOM 1185 CG TYR A 73 -3.356 -2.570 -11.534 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -2.158 -2.140 -12.092 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -4.540 -2.068 -12.057 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -2.142 -1.236 -13.138 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -4.534 -1.166 -13.103 1.00 0.00 C ATOM 1190 CZ TYR A 73 -3.332 -0.753 -13.640 1.00 0.00 C ATOM 1191 OH TYR A 73 -3.321 0.145 -14.683 1.00 0.00 O ATOM 0 H TYR A 73 -3.841 -4.528 -8.161 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.626 -3.052 -9.236 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.867 -4.471 -10.701 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.405 -3.824 -10.166 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.224 -2.518 -11.702 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.483 -2.389 -11.638 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.203 -0.910 -13.560 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.465 -0.786 -13.498 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.242 0.385 -14.918 1.00 0.00 H new ATOM 1201 N LYS A 74 -4.289 -1.441 -8.188 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.809 -0.118 -7.867 1.00 0.00 C ATOM 1203 C LYS A 74 -4.101 0.466 -6.648 1.00 0.00 C ATOM 1204 O LYS A 74 -3.708 1.633 -6.648 1.00 0.00 O ATOM 1205 CB LYS A 74 -6.316 -0.188 -7.612 1.00 0.00 C ATOM 1206 CG LYS A 74 -6.988 1.174 -7.568 1.00 0.00 C ATOM 1207 CD LYS A 74 -8.500 1.046 -7.462 1.00 0.00 C ATOM 1208 CE LYS A 74 -8.973 1.200 -6.026 1.00 0.00 C ATOM 1209 NZ LYS A 74 -10.221 0.430 -5.767 1.00 0.00 N ATOM 0 H LYS A 74 -4.881 -2.213 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.621 0.535 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.781 -0.789 -8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.493 -0.702 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.609 1.741 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.731 1.737 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.975 1.803 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.812 0.075 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.190 0.861 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.146 2.255 -5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.511 0.561 -4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.976 0.770 -6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.049 -0.580 -5.947 1.00 0.00 H new ATOM 1223 N ILE A 75 -3.940 -0.351 -5.613 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.279 0.087 -4.390 1.00 0.00 C ATOM 1225 C ILE A 75 -1.807 0.397 -4.644 1.00 0.00 C ATOM 1226 O ILE A 75 -1.233 1.287 -4.015 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.385 -0.978 -3.280 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -4.842 -1.407 -3.090 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -2.812 -0.446 -1.974 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -4.998 -2.859 -2.694 1.00 0.00 C ATOM 0 H ILE A 75 -4.258 -1.320 -5.597 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.788 0.993 -4.061 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.804 -1.850 -3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.300 -0.779 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.388 -1.231 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.895 -1.211 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.763 -0.186 -2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.367 0.441 -1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.056 -3.093 -2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.570 -3.495 -3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.481 -3.037 -1.751 1.00 0.00 H new ATOM 1242 N GLN A 76 -1.202 -0.343 -5.567 1.00 0.00 N ATOM 1243 CA GLN A 76 0.203 -0.145 -5.904 1.00 0.00 C ATOM 1244 C GLN A 76 0.446 1.269 -6.419 1.00 0.00 C ATOM 1245 O GLN A 76 1.304 1.989 -5.907 1.00 0.00 O ATOM 1246 CB GLN A 76 0.647 -1.166 -6.953 1.00 0.00 C ATOM 1247 CG GLN A 76 1.218 -2.442 -6.357 1.00 0.00 C ATOM 1248 CD GLN A 76 1.363 -3.550 -7.382 1.00 0.00 C ATOM 1249 OE1 GLN A 76 0.883 -3.435 -8.510 1.00 0.00 O ATOM 1250 NE2 GLN A 76 2.028 -4.633 -6.994 1.00 0.00 N ATOM 0 H GLN A 76 -1.662 -1.085 -6.095 1.00 0.00 H new ATOM 0 HA GLN A 76 0.791 -0.287 -4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.205 -1.419 -7.584 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.397 -0.709 -7.598 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.192 -2.229 -5.917 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.571 -2.782 -5.549 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.409 -4.686 -6.049 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.157 -5.411 -7.641 1.00 0.00 H new ATOM 1259 N LYS A 77 -0.314 1.663 -7.436 1.00 0.00 N ATOM 1260 CA LYS A 77 -0.183 2.991 -8.020 1.00 0.00 C ATOM 1261 C LYS A 77 -0.553 4.071 -7.008 1.00 0.00 C ATOM 1262 O LYS A 77 -0.016 5.178 -7.042 1.00 0.00 O ATOM 1263 CB LYS A 77 -1.067 3.115 -9.263 1.00 0.00 C ATOM 1264 CG LYS A 77 -0.349 2.768 -10.556 1.00 0.00 C ATOM 1265 CD LYS A 77 0.057 1.303 -10.592 1.00 0.00 C ATOM 1266 CE LYS A 77 1.522 1.122 -10.230 1.00 0.00 C ATOM 1267 NZ LYS A 77 2.425 1.720 -11.252 1.00 0.00 N ATOM 0 H LYS A 77 -1.028 1.080 -7.873 1.00 0.00 H new ATOM 0 HA LYS A 77 0.859 3.131 -8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.932 2.461 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.445 4.135 -9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.998 2.988 -11.404 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.537 3.395 -10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.563 0.735 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.126 0.898 -11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.716 1.582 -9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.742 0.059 -10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.342 1.231 -11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.998 1.619 -12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.567 2.729 -11.042 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.474 3.741 -6.108 1.00 0.00 N ATOM 1282 CA GLU A 78 -1.915 4.683 -5.086 1.00 0.00 C ATOM 1283 C GLU A 78 -0.795 4.971 -4.090 1.00 0.00 C ATOM 1284 O GLU A 78 -0.705 6.070 -3.542 1.00 0.00 O ATOM 1285 CB GLU A 78 -3.138 4.133 -4.350 1.00 0.00 C ATOM 1286 CG GLU A 78 -4.460 4.528 -4.988 1.00 0.00 C ATOM 1287 CD GLU A 78 -5.576 4.675 -3.972 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -5.813 3.716 -3.207 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -6.213 5.749 -3.941 1.00 0.00 O ATOM 0 H GLU A 78 -1.929 2.829 -6.066 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.185 5.616 -5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.072 3.046 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.121 4.487 -3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.334 5.469 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.742 3.777 -5.726 1.00 0.00 H new ATOM 1296 N LEU A 79 0.057 3.976 -3.861 1.00 0.00 N ATOM 1297 CA LEU A 79 1.171 4.122 -2.933 1.00 0.00 C ATOM 1298 C LEU A 79 2.092 5.261 -3.359 1.00 0.00 C ATOM 1299 O LEU A 79 2.706 5.923 -2.523 1.00 0.00 O ATOM 1300 CB LEU A 79 1.964 2.816 -2.844 1.00 0.00 C ATOM 1301 CG LEU A 79 2.784 2.642 -1.565 1.00 0.00 C ATOM 1302 CD1 LEU A 79 2.974 1.167 -1.249 1.00 0.00 C ATOM 1303 CD2 LEU A 79 4.130 3.338 -1.699 1.00 0.00 C ATOM 0 H LEU A 79 -0.004 3.060 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 79 0.762 4.359 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.269 1.980 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.637 2.758 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 79 2.239 3.101 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.560 1.063 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.001 0.696 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.498 0.683 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.702 3.205 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.681 2.907 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.973 4.402 -1.878 1.00 0.00 H new ATOM 1315 N GLU A 80 2.183 5.483 -4.667 1.00 0.00 N ATOM 1316 CA GLU A 80 3.028 6.542 -5.204 1.00 0.00 C ATOM 1317 C GLU A 80 2.448 7.917 -4.886 1.00 0.00 C ATOM 1318 O GLU A 80 3.185 8.888 -4.714 1.00 0.00 O ATOM 1319 CB GLU A 80 3.184 6.380 -6.718 1.00 0.00 C ATOM 1320 CG GLU A 80 4.535 6.840 -7.243 1.00 0.00 C ATOM 1321 CD GLU A 80 5.046 5.972 -8.375 1.00 0.00 C ATOM 1322 OE1 GLU A 80 4.702 4.772 -8.405 1.00 0.00 O ATOM 1323 OE2 GLU A 80 5.792 6.492 -9.233 1.00 0.00 O ATOM 0 H GLU A 80 1.682 4.944 -5.373 1.00 0.00 H new ATOM 0 HA GLU A 80 4.008 6.464 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.040 5.332 -6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.397 6.945 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.455 7.871 -7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.259 6.832 -6.428 1.00 0.00 H new ATOM 1330 N GLU A 81 1.124 7.991 -4.810 1.00 0.00 N ATOM 1331 CA GLU A 81 0.444 9.246 -4.512 1.00 0.00 C ATOM 1332 C GLU A 81 0.859 9.779 -3.145 1.00 0.00 C ATOM 1333 O GLU A 81 0.897 10.990 -2.925 1.00 0.00 O ATOM 1334 CB GLU A 81 -1.073 9.054 -4.558 1.00 0.00 C ATOM 1335 CG GLU A 81 -1.825 10.265 -5.083 1.00 0.00 C ATOM 1336 CD GLU A 81 -3.306 10.214 -4.765 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -3.654 9.894 -3.609 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -4.118 10.493 -5.671 1.00 0.00 O ATOM 0 H GLU A 81 0.500 7.196 -4.951 1.00 0.00 H new ATOM 0 HA GLU A 81 0.734 9.974 -5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.303 8.194 -5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.432 8.821 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.396 11.170 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.691 10.331 -6.163 1.00 0.00 H new ATOM 1345 N LYS A 82 1.170 8.868 -2.229 1.00 0.00 N ATOM 1346 CA LYS A 82 1.582 9.248 -0.883 1.00 0.00 C ATOM 1347 C LYS A 82 2.844 10.104 -0.920 1.00 0.00 C ATOM 1348 O LYS A 82 3.041 10.974 -0.071 1.00 0.00 O ATOM 1349 CB LYS A 82 1.824 8.000 -0.030 1.00 0.00 C ATOM 1350 CG LYS A 82 0.583 7.509 0.695 1.00 0.00 C ATOM 1351 CD LYS A 82 0.370 8.255 2.003 1.00 0.00 C ATOM 1352 CE LYS A 82 -1.025 8.016 2.560 1.00 0.00 C ATOM 1353 NZ LYS A 82 -2.084 8.518 1.642 1.00 0.00 N ATOM 0 H LYS A 82 1.145 7.862 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 82 0.779 9.836 -0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.201 7.201 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.601 8.216 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.289 7.639 0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.675 6.441 0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.114 7.933 2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.521 9.323 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.169 6.949 2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.119 8.510 3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.907 8.828 2.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.715 9.320 1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.371 7.757 0.994 1.00 0.00 H new ATOM 1367 N ARG A 83 3.695 9.853 -1.909 1.00 0.00 N ATOM 1368 CA ARG A 83 4.938 10.601 -2.057 1.00 0.00 C ATOM 1369 C ARG A 83 4.682 11.961 -2.694 1.00 0.00 C ATOM 1370 O ARG A 83 5.236 12.972 -2.263 1.00 0.00 O ATOM 1371 CB ARG A 83 5.939 9.810 -2.900 1.00 0.00 C ATOM 1372 CG ARG A 83 6.822 8.881 -2.082 1.00 0.00 C ATOM 1373 CD ARG A 83 8.019 9.618 -1.503 1.00 0.00 C ATOM 1374 NE ARG A 83 7.689 10.304 -0.256 1.00 0.00 N ATOM 1375 CZ ARG A 83 8.449 11.249 0.294 1.00 0.00 C ATOM 1376 NH1 ARG A 83 9.579 11.624 -0.290 1.00 0.00 N ATOM 1377 NH2 ARG A 83 8.075 11.821 1.430 1.00 0.00 N ATOM 0 H ARG A 83 3.547 9.137 -2.620 1.00 0.00 H new ATOM 0 HA ARG A 83 5.357 10.758 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.395 9.223 -3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.571 10.508 -3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.238 8.441 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.168 8.060 -2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.829 8.910 -1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.384 10.343 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 83 6.826 10.044 0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.870 11.188 -1.165 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.157 12.348 0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.206 11.537 1.882 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.656 12.545 1.852 1.00 0.00 H new ATOM 1391 N ARG A 84 3.838 11.983 -3.720 1.00 0.00 N ATOM 1392 CA ARG A 84 3.516 13.226 -4.407 1.00 0.00 C ATOM 1393 C ARG A 84 2.482 14.034 -3.634 1.00 0.00 C ATOM 1394 O ARG A 84 2.150 15.156 -4.017 1.00 0.00 O ATOM 1395 CB ARG A 84 3.018 12.946 -5.826 1.00 0.00 C ATOM 1396 CG ARG A 84 1.684 12.218 -5.872 1.00 0.00 C ATOM 1397 CD ARG A 84 0.639 13.010 -6.644 1.00 0.00 C ATOM 1398 NE ARG A 84 1.141 13.463 -7.940 1.00 0.00 N ATOM 1399 CZ ARG A 84 0.362 13.924 -8.917 1.00 0.00 C ATOM 1400 NH1 ARG A 84 -0.952 13.994 -8.749 1.00 0.00 N ATOM 1401 NH2 ARG A 84 0.901 14.317 -10.063 1.00 0.00 N ATOM 0 H ARG A 84 3.367 11.158 -4.092 1.00 0.00 H new ATOM 0 HA ARG A 84 4.430 13.817 -4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.925 13.890 -6.362 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.765 12.352 -6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.818 11.241 -6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.330 12.041 -4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.246 12.392 -6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.329 13.872 -6.054 1.00 0.00 H new ATOM 0 HE ARG A 84 2.147 13.424 -8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.370 13.694 -7.868 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.544 14.348 -9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.911 14.266 -10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.306 14.670 -10.812 1.00 0.00 H new ATOM 1415 N SER A 85 1.992 13.476 -2.532 1.00 0.00 N ATOM 1416 CA SER A 85 1.025 14.176 -1.705 1.00 0.00 C ATOM 1417 C SER A 85 1.651 15.445 -1.129 1.00 0.00 C ATOM 1418 O SER A 85 0.951 16.305 -0.594 1.00 0.00 O ATOM 1419 CB SER A 85 0.535 13.271 -0.572 1.00 0.00 C ATOM 1420 OG SER A 85 -0.226 14.002 0.372 1.00 0.00 O ATOM 0 H SER A 85 2.248 12.548 -2.195 1.00 0.00 H new ATOM 0 HA SER A 85 0.171 14.450 -2.324 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.070 12.463 -0.984 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.389 12.809 -0.076 1.00 0.00 H new ATOM 0 HG SER A 85 -0.096 14.962 0.224 1.00 0.00 H new ATOM 1426 N ARG A 86 2.978 15.554 -1.246 1.00 0.00 N ATOM 1427 CA ARG A 86 3.696 16.719 -0.738 1.00 0.00 C ATOM 1428 C ARG A 86 4.788 17.169 -1.694 1.00 0.00 C ATOM 1429 O ARG A 86 5.334 18.267 -1.573 1.00 0.00 O ATOM 1430 CB ARG A 86 4.303 16.410 0.627 1.00 0.00 C ATOM 1431 CG ARG A 86 4.758 17.645 1.387 1.00 0.00 C ATOM 1432 CD ARG A 86 3.577 18.423 1.945 1.00 0.00 C ATOM 1433 NE ARG A 86 3.381 18.171 3.371 1.00 0.00 N ATOM 1434 CZ ARG A 86 4.102 18.743 4.331 1.00 0.00 C ATOM 1435 NH1 ARG A 86 5.069 19.599 4.025 1.00 0.00 N ATOM 1436 NH2 ARG A 86 3.857 18.458 5.603 1.00 0.00 N ATOM 0 H ARG A 86 3.571 14.851 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 86 2.976 17.531 -0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.569 15.874 1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.154 15.742 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.418 17.349 2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.338 18.288 0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.736 19.489 1.784 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.673 18.150 1.401 1.00 0.00 H new ATOM 0 HE ARG A 86 2.648 17.518 3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.263 19.822 3.049 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.618 20.034 4.766 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.116 17.800 5.845 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.410 18.897 6.340 1.00 0.00 H new ATOM 1450 N LEU A 87 5.092 16.311 -2.636 1.00 0.00 N ATOM 1451 CA LEU A 87 6.117 16.582 -3.638 1.00 0.00 C ATOM 1452 C LEU A 87 7.483 16.764 -2.985 1.00 0.00 C ATOM 1453 O LEU A 87 8.205 15.756 -2.834 1.00 0.00 O ATOM 1454 CB LEU A 87 5.753 17.830 -4.445 1.00 0.00 C ATOM 1455 CG LEU A 87 4.896 17.573 -5.685 1.00 0.00 C ATOM 1456 CD1 LEU A 87 4.336 18.879 -6.228 1.00 0.00 C ATOM 1457 CD2 LEU A 87 5.707 16.855 -6.753 1.00 0.00 C ATOM 1458 OXT LEU A 87 7.820 17.913 -2.630 1.00 0.00 O ATOM 0 H LEU A 87 4.641 15.402 -2.738 1.00 0.00 H new ATOM 0 HA LEU A 87 6.168 15.725 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.222 18.523 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.674 18.325 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 87 4.060 16.934 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.729 18.676 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.720 19.356 -5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.157 19.543 -6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.082 16.680 -7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.562 17.469 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.059 15.900 -6.362 1.00 0.00 H new TER 1470 LEU A 87 ATOM 1471 N GLY B 88 -15.654 11.154 -0.819 1.00 0.00 N ATOM 1472 CA GLY B 88 -15.906 12.088 0.313 1.00 0.00 C ATOM 1473 C GLY B 88 -15.913 11.384 1.656 1.00 0.00 C ATOM 1474 O GLY B 88 -14.908 10.802 2.063 1.00 0.00 O ATOM 0 HA2 GLY B 88 -15.140 12.864 0.317 1.00 0.00 H new ATOM 0 HA3 GLY B 88 -16.864 12.586 0.163 1.00 0.00 H new ATOM 1480 N SER B 89 -17.048 11.439 2.345 1.00 0.00 N ATOM 1481 CA SER B 89 -17.181 10.801 3.650 1.00 0.00 C ATOM 1482 C SER B 89 -17.653 9.359 3.505 1.00 0.00 C ATOM 1483 O SER B 89 -18.818 9.104 3.199 1.00 0.00 O ATOM 1484 CB SER B 89 -18.160 11.585 4.525 1.00 0.00 C ATOM 1485 OG SER B 89 -17.951 11.308 5.899 1.00 0.00 O ATOM 0 H SER B 89 -17.888 11.918 2.022 1.00 0.00 H new ATOM 0 HA SER B 89 -16.201 10.796 4.127 1.00 0.00 H new ATOM 0 HB2 SER B 89 -18.039 12.653 4.344 1.00 0.00 H new ATOM 0 HB3 SER B 89 -19.183 11.329 4.251 1.00 0.00 H new ATOM 0 HG SER B 89 -18.588 11.823 6.437 1.00 0.00 H new ATOM 1491 N GLY B 90 -16.740 8.418 3.727 1.00 0.00 N ATOM 1492 CA GLY B 90 -17.082 7.013 3.616 1.00 0.00 C ATOM 1493 C GLY B 90 -16.022 6.213 2.885 1.00 0.00 C ATOM 1494 O GLY B 90 -16.308 5.566 1.877 1.00 0.00 O ATOM 0 H GLY B 90 -15.770 8.604 3.982 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -17.223 6.597 4.614 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -18.033 6.914 3.092 1.00 0.00 H new ATOM 1498 N THR B 91 -14.795 6.257 3.393 1.00 0.00 N ATOM 1499 CA THR B 91 -13.688 5.531 2.781 1.00 0.00 C ATOM 1500 C THR B 91 -12.743 4.984 3.846 1.00 0.00 C ATOM 1501 O THR B 91 -12.953 5.187 5.041 1.00 0.00 O ATOM 1502 CB THR B 91 -12.921 6.443 1.822 1.00 0.00 C ATOM 1503 OG1 THR B 91 -12.785 7.744 2.367 1.00 0.00 O ATOM 1504 CG2 THR B 91 -13.582 6.579 0.468 1.00 0.00 C ATOM 0 H THR B 91 -14.542 6.788 4.227 1.00 0.00 H new ATOM 0 HA THR B 91 -14.101 4.692 2.221 1.00 0.00 H new ATOM 0 HB THR B 91 -11.949 5.968 1.688 1.00 0.00 H new ATOM 0 HG1 THR B 91 -12.290 8.311 1.740 1.00 0.00 H new ATOM 0 HG21 THR B 91 -12.987 7.239 -0.163 1.00 0.00 H new ATOM 0 HG22 THR B 91 -13.656 5.598 -0.001 1.00 0.00 H new ATOM 0 HG23 THR B 91 -14.581 6.998 0.591 1.00 0.00 H new ATOM 1512 N ASP B 92 -11.701 4.288 3.403 1.00 0.00 N ATOM 1513 CA ASP B 92 -10.723 3.711 4.318 1.00 0.00 C ATOM 1514 C ASP B 92 -9.781 4.783 4.855 1.00 0.00 C ATOM 1515 O ASP B 92 -9.241 5.586 4.095 1.00 0.00 O ATOM 1516 CB ASP B 92 -9.918 2.616 3.613 1.00 0.00 C ATOM 1517 CG ASP B 92 -10.614 1.270 3.655 1.00 0.00 C ATOM 1518 OD1 ASP B 92 -11.782 1.191 3.218 1.00 0.00 O ATOM 1519 OD2 ASP B 92 -9.991 0.294 4.123 1.00 0.00 O ATOM 0 H ASP B 92 -11.512 4.110 2.417 1.00 0.00 H new ATOM 0 HA ASP B 92 -11.263 3.273 5.158 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -9.750 2.903 2.575 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -8.938 2.530 4.082 1.00 0.00 H new ATOM 1524 N LYS B 93 -9.590 4.790 6.171 1.00 0.00 N ATOM 1525 CA LYS B 93 -8.713 5.765 6.811 1.00 0.00 C ATOM 1526 C LYS B 93 -7.405 5.115 7.246 1.00 0.00 C ATOM 1527 O LYS B 93 -6.348 5.747 7.226 1.00 0.00 O ATOM 1528 CB LYS B 93 -9.411 6.394 8.017 1.00 0.00 C ATOM 1529 CG LYS B 93 -10.216 7.637 7.675 1.00 0.00 C ATOM 1530 CD LYS B 93 -11.458 7.754 8.542 1.00 0.00 C ATOM 1531 CE LYS B 93 -12.690 7.226 7.826 1.00 0.00 C ATOM 1532 NZ LYS B 93 -13.878 7.179 8.723 1.00 0.00 N ATOM 0 H LYS B 93 -10.030 4.132 6.814 1.00 0.00 H new ATOM 0 HA LYS B 93 -8.485 6.545 6.085 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -10.073 5.655 8.469 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.662 6.651 8.766 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.594 8.522 7.808 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.506 7.606 6.625 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -11.309 7.200 9.469 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.615 8.797 8.816 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.909 7.859 6.966 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -12.486 6.227 7.442 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -14.697 6.813 8.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.679 6.554 9.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -14.089 8.136 9.070 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.482 3.849 7.643 1.00 0.00 N ATOM 1547 CA GLU B 94 -6.303 3.113 8.085 1.00 0.00 C ATOM 1548 C GLU B 94 -5.467 2.654 6.894 1.00 0.00 C ATOM 1549 O GLU B 94 -4.250 2.510 6.997 1.00 0.00 O ATOM 1550 CB GLU B 94 -6.714 1.906 8.929 1.00 0.00 C ATOM 1551 CG GLU B 94 -7.399 2.281 10.234 1.00 0.00 C ATOM 1552 CD GLU B 94 -8.904 2.107 10.172 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -9.575 2.955 9.549 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -9.411 1.122 10.749 1.00 0.00 O ATOM 0 H GLU B 94 -8.348 3.311 7.668 1.00 0.00 H new ATOM 0 HA GLU B 94 -5.697 3.784 8.694 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -7.384 1.276 8.345 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -5.829 1.310 9.151 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -6.999 1.666 11.040 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -7.166 3.318 10.478 1.00 0.00 H new ATOM 1561 N LEU B 95 -6.128 2.428 5.763 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.444 1.988 4.552 1.00 0.00 C ATOM 1563 C LEU B 95 -4.326 2.956 4.178 1.00 0.00 C ATOM 1564 O LEU B 95 -3.266 2.547 3.706 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.437 1.865 3.395 1.00 0.00 C ATOM 1566 CG LEU B 95 -5.839 1.360 2.079 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -5.589 -0.138 2.148 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -6.758 1.697 0.915 1.00 0.00 C ATOM 0 H LEU B 95 -7.136 2.542 5.660 1.00 0.00 H new ATOM 0 HA LEU B 95 -5.004 1.010 4.748 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -7.239 1.190 3.695 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -6.890 2.841 3.220 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.883 1.859 1.918 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -5.164 -0.480 1.204 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -4.893 -0.354 2.959 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -6.531 -0.656 2.331 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.319 1.331 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.728 1.224 1.068 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -6.887 2.778 0.854 1.00 0.00 H new ATOM 1580 N SER B 96 -4.571 4.245 4.398 1.00 0.00 N ATOM 1581 CA SER B 96 -3.587 5.274 4.088 1.00 0.00 C ATOM 1582 C SER B 96 -2.507 5.331 5.164 1.00 0.00 C ATOM 1583 O SER B 96 -1.354 5.659 4.883 1.00 0.00 O ATOM 1584 CB SER B 96 -4.267 6.637 3.959 1.00 0.00 C ATOM 1585 OG SER B 96 -4.911 7.004 5.166 1.00 0.00 O ATOM 0 H SER B 96 -5.443 4.600 4.790 1.00 0.00 H new ATOM 0 HA SER B 96 -3.117 5.020 3.138 1.00 0.00 H new ATOM 0 HB2 SER B 96 -3.527 7.392 3.694 1.00 0.00 H new ATOM 0 HB3 SER B 96 -4.996 6.608 3.149 1.00 0.00 H new ATOM 0 HG SER B 96 -5.161 6.197 5.662 1.00 0.00 H new ATOM 1591 N ASP B 97 -2.888 5.011 6.397 1.00 0.00 N ATOM 1592 CA ASP B 97 -1.953 5.028 7.515 1.00 0.00 C ATOM 1593 C ASP B 97 -0.804 4.052 7.277 1.00 0.00 C ATOM 1594 O ASP B 97 0.337 4.318 7.655 1.00 0.00 O ATOM 1595 CB ASP B 97 -2.675 4.676 8.817 1.00 0.00 C ATOM 1596 CG ASP B 97 -1.843 4.992 10.044 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -0.793 4.341 10.233 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -2.240 5.889 10.816 1.00 0.00 O ATOM 0 H ASP B 97 -3.838 4.737 6.646 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.541 6.034 7.597 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.615 5.225 8.868 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -2.925 3.615 8.815 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.115 2.922 6.652 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.108 1.905 6.365 1.00 0.00 C ATOM 1605 C LEU B 98 0.705 2.277 5.130 1.00 0.00 C ATOM 1606 O LEU B 98 1.883 1.938 5.024 1.00 0.00 O ATOM 1607 CB LEU B 98 -0.774 0.543 6.160 1.00 0.00 C ATOM 1608 CG LEU B 98 -1.859 0.193 7.180 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -2.995 -0.569 6.513 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.271 -0.620 8.325 1.00 0.00 C ATOM 0 H LEU B 98 -2.055 2.686 6.334 1.00 0.00 H new ATOM 0 HA LEU B 98 0.568 1.847 7.218 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -1.212 0.516 5.162 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.005 -0.229 6.191 1.00 0.00 H new ATOM 0 HG LEU B 98 -2.261 1.121 7.586 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -3.757 -0.809 7.255 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -3.434 0.046 5.728 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -2.609 -1.491 6.078 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -2.056 -0.860 9.041 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -0.842 -1.542 7.934 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.493 -0.040 8.821 1.00 0.00 H new ATOM 1622 N LEU B 99 0.068 2.975 4.195 1.00 0.00 N ATOM 1623 CA LEU B 99 0.732 3.392 2.966 1.00 0.00 C ATOM 1624 C LEU B 99 1.912 4.312 3.266 1.00 0.00 C ATOM 1625 O LEU B 99 3.011 4.116 2.750 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.259 4.102 2.040 1.00 0.00 C ATOM 1627 CG LEU B 99 -0.003 3.907 0.545 1.00 0.00 C ATOM 1628 CD1 LEU B 99 0.032 2.426 0.198 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -1.065 4.623 -0.274 1.00 0.00 C ATOM 0 H LEU B 99 -0.908 3.264 4.266 1.00 0.00 H new ATOM 0 HA LEU B 99 1.109 2.499 2.468 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -1.264 3.749 2.270 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -0.238 5.169 2.260 1.00 0.00 H new ATOM 0 HG LEU B 99 0.968 4.339 0.302 1.00 0.00 H new ATOM 0 HD11 LEU B 99 0.215 2.307 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU B 99 0.830 1.939 0.760 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -0.924 1.969 0.455 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -0.868 4.474 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -2.047 4.220 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -1.042 5.689 -0.047 1.00 0.00 H new ATOM 1641 N ASP B 100 1.676 5.314 4.105 1.00 0.00 N ATOM 1642 CA ASP B 100 2.719 6.265 4.475 1.00 0.00 C ATOM 1643 C ASP B 100 3.890 5.555 5.146 1.00 0.00 C ATOM 1644 O ASP B 100 5.042 5.968 5.007 1.00 0.00 O ATOM 1645 CB ASP B 100 2.155 7.340 5.406 1.00 0.00 C ATOM 1646 CG ASP B 100 1.633 6.760 6.708 1.00 0.00 C ATOM 1647 OD1 ASP B 100 2.439 6.181 7.465 1.00 0.00 O ATOM 1648 OD2 ASP B 100 0.418 6.887 6.968 1.00 0.00 O ATOM 0 H ASP B 100 0.771 5.489 4.542 1.00 0.00 H new ATOM 0 HA ASP B 100 3.081 6.740 3.563 1.00 0.00 H new ATOM 0 HB2 ASP B 100 2.932 8.073 5.623 1.00 0.00 H new ATOM 0 HB3 ASP B 100 1.349 7.870 4.898 1.00 0.00 H new ATOM 1653 N PHE B 101 3.589 4.485 5.875 1.00 0.00 N ATOM 1654 CA PHE B 101 4.618 3.719 6.569 1.00 0.00 C ATOM 1655 C PHE B 101 5.630 3.148 5.580 1.00 0.00 C ATOM 1656 O PHE B 101 6.836 3.175 5.826 1.00 0.00 O ATOM 1657 CB PHE B 101 3.982 2.586 7.376 1.00 0.00 C ATOM 1658 CG PHE B 101 4.936 1.914 8.322 1.00 0.00 C ATOM 1659 CD1 PHE B 101 5.428 2.590 9.427 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.339 0.607 8.107 1.00 0.00 C ATOM 1661 CE1 PHE B 101 6.305 1.975 10.299 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.216 -0.015 8.976 1.00 0.00 C ATOM 1663 CZ PHE B 101 6.700 0.670 10.073 1.00 0.00 C ATOM 0 H PHE B 101 2.641 4.129 6.000 1.00 0.00 H new ATOM 0 HA PHE B 101 5.140 4.392 7.249 1.00 0.00 H new ATOM 0 HB2 PHE B 101 3.140 2.983 7.943 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.581 1.842 6.688 1.00 0.00 H new ATOM 0 HD1 PHE B 101 5.122 3.610 9.609 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.964 0.067 7.250 1.00 0.00 H new ATOM 0 HE1 PHE B 101 6.682 2.513 11.156 1.00 0.00 H new ATOM 0 HE2 PHE B 101 6.522 -1.035 8.797 1.00 0.00 H new ATOM 0 HZ PHE B 101 7.386 0.187 10.753 1.00 0.00 H new ATOM 1673 N SER B 102 5.131 2.633 4.462 1.00 0.00 N ATOM 1674 CA SER B 102 5.992 2.056 3.436 1.00 0.00 C ATOM 1675 C SER B 102 6.756 3.145 2.691 1.00 0.00 C ATOM 1676 O SER B 102 7.883 2.933 2.244 1.00 0.00 O ATOM 1677 CB SER B 102 5.163 1.232 2.449 1.00 0.00 C ATOM 1678 OG SER B 102 4.316 2.064 1.676 1.00 0.00 O ATOM 0 H SER B 102 4.135 2.603 4.243 1.00 0.00 H new ATOM 0 HA SER B 102 6.713 1.403 3.928 1.00 0.00 H new ATOM 0 HB2 SER B 102 5.827 0.672 1.791 1.00 0.00 H new ATOM 0 HB3 SER B 102 4.563 0.502 2.993 1.00 0.00 H new ATOM 0 HG SER B 102 4.004 2.813 2.225 1.00 0.00 H new ATOM 1684 N ALA B 103 6.136 4.314 2.561 1.00 0.00 N ATOM 1685 CA ALA B 103 6.756 5.437 1.870 1.00 0.00 C ATOM 1686 C ALA B 103 7.825 6.091 2.739 1.00 0.00 C ATOM 1687 O ALA B 103 8.874 6.505 2.244 1.00 0.00 O ATOM 1688 CB ALA B 103 5.702 6.457 1.468 1.00 0.00 C ATOM 0 H ALA B 103 5.203 4.507 2.926 1.00 0.00 H new ATOM 0 HA ALA B 103 7.238 5.057 0.969 1.00 0.00 H new ATOM 0 HB1 ALA B 103 6.180 7.290 0.953 1.00 0.00 H new ATOM 0 HB2 ALA B 103 4.976 5.988 0.804 1.00 0.00 H new ATOM 0 HB3 ALA B 103 5.193 6.825 2.359 1.00 0.00 H new ATOM 1694 N MET B 104 7.552 6.182 4.036 1.00 0.00 N ATOM 1695 CA MET B 104 8.490 6.787 4.974 1.00 0.00 C ATOM 1696 C MET B 104 9.783 5.978 5.049 1.00 0.00 C ATOM 1697 O MET B 104 10.879 6.533 4.977 1.00 0.00 O ATOM 1698 CB MET B 104 7.860 6.891 6.365 1.00 0.00 C ATOM 1699 CG MET B 104 6.844 8.015 6.488 1.00 0.00 C ATOM 1700 SD MET B 104 7.572 9.642 6.213 1.00 0.00 S ATOM 1701 CE MET B 104 6.191 10.509 5.472 1.00 0.00 C ATOM 0 H MET B 104 6.689 5.844 4.462 1.00 0.00 H new ATOM 0 HA MET B 104 8.728 7.788 4.615 1.00 0.00 H new ATOM 0 HB2 MET B 104 7.375 5.945 6.607 1.00 0.00 H new ATOM 0 HB3 MET B 104 8.649 7.043 7.102 1.00 0.00 H new ATOM 0 HG2 MET B 104 6.041 7.854 5.769 1.00 0.00 H new ATOM 0 HG3 MET B 104 6.394 7.986 7.480 1.00 0.00 H new ATOM 0 HE1 MET B 104 6.485 11.533 5.244 1.00 0.00 H new ATOM 0 HE2 MET B 104 5.894 10.003 4.553 1.00 0.00 H new ATOM 0 HE3 MET B 104 5.352 10.519 6.168 1.00 0.00 H new ATOM 1711 N PHE B 105 9.644 4.665 5.195 1.00 0.00 N ATOM 1712 CA PHE B 105 10.800 3.780 5.280 1.00 0.00 C ATOM 1713 C PHE B 105 10.615 2.557 4.387 1.00 0.00 C ATOM 1714 O PHE B 105 9.793 1.686 4.673 1.00 0.00 O ATOM 1715 CB PHE B 105 11.027 3.340 6.727 1.00 0.00 C ATOM 1716 CG PHE B 105 11.943 4.250 7.495 1.00 0.00 C ATOM 1717 CD1 PHE B 105 13.317 4.088 7.428 1.00 0.00 C ATOM 1718 CD2 PHE B 105 11.429 5.267 8.282 1.00 0.00 C ATOM 1719 CE1 PHE B 105 14.163 4.923 8.133 1.00 0.00 C ATOM 1720 CE2 PHE B 105 12.270 6.106 8.989 1.00 0.00 C ATOM 1721 CZ PHE B 105 13.639 5.934 8.915 1.00 0.00 C ATOM 0 H PHE B 105 8.743 4.190 5.257 1.00 0.00 H new ATOM 0 HA PHE B 105 11.675 4.331 4.934 1.00 0.00 H new ATOM 0 HB2 PHE B 105 10.066 3.290 7.238 1.00 0.00 H new ATOM 0 HB3 PHE B 105 11.442 2.332 6.731 1.00 0.00 H new ATOM 0 HD1 PHE B 105 13.732 3.300 6.818 1.00 0.00 H new ATOM 0 HD2 PHE B 105 10.360 5.406 8.344 1.00 0.00 H new ATOM 0 HE1 PHE B 105 15.232 4.785 8.073 1.00 0.00 H new ATOM 0 HE2 PHE B 105 11.857 6.896 9.599 1.00 0.00 H new ATOM 0 HZ PHE B 105 14.298 6.588 9.467 1.00 0.00 H new ATOM 1731 N SER B 106 11.384 2.499 3.305 1.00 0.00 N ATOM 1732 CA SER B 106 11.304 1.382 2.370 1.00 0.00 C ATOM 1733 C SER B 106 12.058 0.169 2.906 1.00 0.00 C ATOM 1734 O SER B 106 13.191 0.348 3.399 1.00 0.00 O ATOM 1735 CB SER B 106 11.873 1.787 1.009 1.00 0.00 C ATOM 1736 OG SER B 106 10.931 2.544 0.268 1.00 0.00 O ATOM 1737 OXT SER B 106 11.506 -0.950 2.830 1.00 0.00 O ATOM 0 H SER B 106 12.069 3.212 3.054 1.00 0.00 H new ATOM 0 HA SER B 106 10.254 1.114 2.253 1.00 0.00 H new ATOM 0 HB2 SER B 106 12.783 2.370 1.151 1.00 0.00 H new ATOM 0 HB3 SER B 106 12.150 0.895 0.447 1.00 0.00 H new ATOM 0 HG SER B 106 11.319 2.792 -0.597 1.00 0.00 H new TER 1743 SER B 106