USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 551 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 33 LYS NZ :NH3+ -166:sc= -0.293 (180deg=-0.612) USER MOD Set 1.2: A 36 ASN : amide:sc= -2.8 K(o=-3.1,f=-1.1) USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.193) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0432) USER MOD Single : A 2 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.0073) USER MOD Single : A 3 HIS : no HD1:sc= -0.014 X(o=-0.014,f=-0.19) USER MOD Single : A 4 HIS : no HD1:sc= -0.0057 X(o=-0.0057,f=-0.13) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 6 HIS : no HD1:sc= 0.0636 K(o=0.064,f=-0.81) USER MOD Single : A 7 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.0039) USER MOD Single : A 11 GLN : amide:sc= -4.74! K(o=-4.7!,f=-0.029) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= -0.0126 (180deg=-0.275) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc=-0.000205 X(o=-0.0002,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00839 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 129:sc= 1.24 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 133:sc= -0.466 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= -0.127 (180deg=-0.388) USER MOD Single : A 42 ASN : amide:sc= -11.7! C(o=-12!,f=-12!) USER MOD Single : A 43 THR OG1 : rot -99:sc= 1.56 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.775 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.38! K(o=-2.4!,f=-0.15) USER MOD Single : A 65 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.033) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.093 12.231 -22.367 1.00 74.35 N ATOM 2 CA MET A 1 10.455 10.972 -22.736 1.00 42.05 C ATOM 3 C MET A 1 11.058 9.808 -21.956 1.00 50.21 C ATOM 4 O MET A 1 11.996 9.158 -22.418 1.00 71.51 O ATOM 5 CB MET A 1 10.600 10.723 -24.239 1.00 44.40 C ATOM 6 CG MET A 1 9.884 11.753 -25.097 1.00 42.44 C ATOM 7 SD MET A 1 11.016 12.710 -26.124 1.00 44.10 S ATOM 8 CE MET A 1 10.812 14.345 -25.421 1.00 32.30 C ATOM 0 H1 MET A 1 10.560 13.024 -22.778 1.00 74.35 H new ATOM 0 H2 MET A 1 11.107 12.323 -21.331 1.00 74.35 H new ATOM 0 H3 MET A 1 12.068 12.245 -22.729 1.00 74.35 H new ATOM 0 HA MET A 1 9.396 11.044 -22.487 1.00 42.05 H new ATOM 0 HB2 MET A 1 11.659 10.719 -24.498 1.00 44.40 H new ATOM 0 HB3 MET A 1 10.211 9.732 -24.474 1.00 44.40 H new ATOM 0 HG2 MET A 1 9.159 11.248 -25.736 1.00 42.44 H new ATOM 0 HG3 MET A 1 9.323 12.430 -24.453 1.00 42.44 H new ATOM 0 HE1 MET A 1 11.245 15.086 -26.092 1.00 32.30 H new ATOM 0 HE2 MET A 1 9.751 14.554 -25.287 1.00 32.30 H new ATOM 0 HE3 MET A 1 11.316 14.391 -24.455 1.00 32.30 H new ATOM 18 N HIS A 2 10.514 9.551 -20.771 1.00 11.33 N ATOM 19 CA HIS A 2 10.998 8.465 -19.926 1.00 45.14 C ATOM 20 C HIS A 2 9.841 7.773 -19.214 1.00 14.14 C ATOM 21 O HIS A 2 9.591 6.585 -19.421 1.00 4.01 O ATOM 22 CB HIS A 2 12.000 8.996 -18.900 1.00 50.25 C ATOM 23 CG HIS A 2 13.320 8.290 -18.931 1.00 23.21 C ATOM 24 ND1 HIS A 2 13.981 7.879 -17.792 1.00 53.51 N ATOM 25 CD2 HIS A 2 14.103 7.920 -19.972 1.00 34.23 C ATOM 26 CE1 HIS A 2 15.113 7.289 -18.131 1.00 11.20 C ATOM 27 NE2 HIS A 2 15.211 7.300 -19.448 1.00 54.12 N ATOM 0 H HIS A 2 9.738 10.080 -20.374 1.00 11.33 H new ATOM 0 HA HIS A 2 11.496 7.736 -20.565 1.00 45.14 H new ATOM 0 HB2 HIS A 2 12.162 10.059 -19.079 1.00 50.25 H new ATOM 0 HB3 HIS A 2 11.570 8.902 -17.903 1.00 50.25 H new ATOM 0 HD2 HIS A 2 13.895 8.082 -21.019 1.00 34.23 H new ATOM 0 HE1 HIS A 2 15.836 6.869 -17.447 1.00 11.20 H new ATOM 0 HE2 HIS A 2 15.984 6.911 -19.988 1.00 54.12 H new ATOM 35 N HIS A 3 9.136 8.524 -18.372 1.00 64.33 N ATOM 36 CA HIS A 3 8.005 7.982 -17.628 1.00 54.14 C ATOM 37 C HIS A 3 8.433 6.789 -16.780 1.00 23.13 C ATOM 38 O HIS A 3 7.875 5.698 -16.897 1.00 74.32 O ATOM 39 CB HIS A 3 6.889 7.566 -18.587 1.00 51.15 C ATOM 40 CG HIS A 3 6.478 8.651 -19.535 1.00 12.14 C ATOM 41 ND1 HIS A 3 6.639 9.992 -19.259 1.00 5.35 N ATOM 42 CD2 HIS A 3 5.910 8.587 -20.762 1.00 21.23 C ATOM 43 CE1 HIS A 3 6.187 10.706 -20.274 1.00 4.20 C ATOM 44 NE2 HIS A 3 5.740 9.877 -21.200 1.00 13.14 N ATOM 0 H HIS A 3 9.329 9.509 -18.189 1.00 64.33 H new ATOM 0 HA HIS A 3 7.632 8.762 -16.964 1.00 54.14 H new ATOM 0 HB2 HIS A 3 7.218 6.699 -19.160 1.00 51.15 H new ATOM 0 HB3 HIS A 3 6.021 7.253 -18.007 1.00 51.15 H new ATOM 0 HD2 HIS A 3 5.641 7.688 -21.297 1.00 21.23 H new ATOM 0 HE1 HIS A 3 6.183 11.784 -20.336 1.00 4.20 H new ATOM 0 HE2 HIS A 3 5.334 10.151 -22.095 1.00 13.14 H new ATOM 52 N HIS A 4 9.429 7.004 -15.925 1.00 72.54 N ATOM 53 CA HIS A 4 9.933 5.945 -15.057 1.00 54.30 C ATOM 54 C HIS A 4 9.423 6.125 -13.630 1.00 62.01 C ATOM 55 O HIS A 4 10.209 6.200 -12.685 1.00 15.25 O ATOM 56 CB HIS A 4 11.461 5.933 -15.067 1.00 64.34 C ATOM 57 CG HIS A 4 12.053 4.638 -14.600 1.00 51.50 C ATOM 58 ND1 HIS A 4 11.743 3.421 -15.168 1.00 34.34 N ATOM 59 CD2 HIS A 4 12.942 4.377 -13.614 1.00 21.52 C ATOM 60 CE1 HIS A 4 12.414 2.466 -14.550 1.00 20.54 C ATOM 61 NE2 HIS A 4 13.150 3.019 -13.603 1.00 11.13 N ATOM 0 H HIS A 4 9.902 7.901 -15.815 1.00 72.54 H new ATOM 0 HA HIS A 4 9.568 4.991 -15.438 1.00 54.30 H new ATOM 0 HB2 HIS A 4 11.811 6.139 -16.078 1.00 64.34 H new ATOM 0 HB3 HIS A 4 11.827 6.740 -14.432 1.00 64.34 H new ATOM 0 HD2 HIS A 4 13.402 5.101 -12.958 1.00 21.52 H new ATOM 0 HE1 HIS A 4 12.369 1.412 -14.780 1.00 20.54 H new ATOM 0 HE2 HIS A 4 13.772 2.519 -12.967 1.00 11.13 H new ATOM 69 N HIS A 5 8.104 6.194 -13.482 1.00 30.20 N ATOM 70 CA HIS A 5 7.490 6.365 -12.170 1.00 71.11 C ATOM 71 C HIS A 5 5.983 6.139 -12.242 1.00 72.50 C ATOM 72 O HIS A 5 5.320 6.592 -13.176 1.00 64.31 O ATOM 73 CB HIS A 5 7.782 7.763 -11.625 1.00 51.44 C ATOM 74 CG HIS A 5 7.930 7.807 -10.136 1.00 14.14 C ATOM 75 ND1 HIS A 5 7.002 8.398 -9.304 1.00 52.44 N ATOM 76 CD2 HIS A 5 8.904 7.327 -9.328 1.00 70.11 C ATOM 77 CE1 HIS A 5 7.400 8.282 -8.050 1.00 71.42 C ATOM 78 NE2 HIS A 5 8.551 7.635 -8.037 1.00 65.31 N ATOM 0 H HIS A 5 7.440 6.134 -14.254 1.00 30.20 H new ATOM 0 HA HIS A 5 7.919 5.624 -11.496 1.00 71.11 H new ATOM 0 HB2 HIS A 5 8.696 8.139 -12.084 1.00 51.44 H new ATOM 0 HB3 HIS A 5 6.977 8.435 -11.922 1.00 51.44 H new ATOM 0 HD2 HIS A 5 9.793 6.800 -9.640 1.00 70.11 H new ATOM 0 HE1 HIS A 5 6.874 8.653 -7.183 1.00 71.42 H new ATOM 0 HE2 HIS A 5 9.090 7.402 -7.203 1.00 65.31 H new ATOM 86 N HIS A 6 5.447 5.434 -11.250 1.00 51.12 N ATOM 87 CA HIS A 6 4.018 5.147 -11.201 1.00 54.54 C ATOM 88 C HIS A 6 3.211 6.433 -11.048 1.00 55.24 C ATOM 89 O HIS A 6 3.641 7.372 -10.378 1.00 50.54 O ATOM 90 CB HIS A 6 3.706 4.195 -10.046 1.00 41.52 C ATOM 91 CG HIS A 6 4.143 4.712 -8.710 1.00 62.10 C ATOM 92 ND1 HIS A 6 5.414 4.524 -8.210 1.00 22.25 N ATOM 93 CD2 HIS A 6 3.470 5.415 -7.769 1.00 44.34 C ATOM 94 CE1 HIS A 6 5.504 5.088 -7.018 1.00 72.42 C ATOM 95 NE2 HIS A 6 4.338 5.636 -6.728 1.00 52.00 N ATOM 0 H HIS A 6 5.981 5.051 -10.470 1.00 51.12 H new ATOM 0 HA HIS A 6 3.736 4.671 -12.140 1.00 54.54 H new ATOM 0 HB2 HIS A 6 2.633 4.007 -10.020 1.00 41.52 H new ATOM 0 HB3 HIS A 6 4.193 3.238 -10.233 1.00 41.52 H new ATOM 0 HD2 HIS A 6 2.442 5.741 -7.826 1.00 44.34 H new ATOM 0 HE1 HIS A 6 6.382 5.099 -6.389 1.00 72.42 H new ATOM 0 HE2 HIS A 6 4.118 6.141 -5.870 1.00 52.00 H new ATOM 103 N HIS A 7 2.038 6.469 -11.675 1.00 25.44 N ATOM 104 CA HIS A 7 1.171 7.640 -11.608 1.00 22.50 C ATOM 105 C HIS A 7 -0.190 7.275 -11.024 1.00 32.31 C ATOM 106 O HIS A 7 -0.734 6.209 -11.313 1.00 2.35 O ATOM 107 CB HIS A 7 0.996 8.250 -12.999 1.00 34.03 C ATOM 108 CG HIS A 7 1.988 9.328 -13.309 1.00 71.25 C ATOM 109 ND1 HIS A 7 2.677 9.395 -14.502 1.00 1.31 N ATOM 110 CD2 HIS A 7 2.404 10.386 -12.576 1.00 4.15 C ATOM 111 CE1 HIS A 7 3.476 10.447 -14.487 1.00 52.53 C ATOM 112 NE2 HIS A 7 3.329 11.066 -13.330 1.00 10.15 N ATOM 0 H HIS A 7 1.667 5.701 -12.235 1.00 25.44 H new ATOM 0 HA HIS A 7 1.642 8.374 -10.954 1.00 22.50 H new ATOM 0 HB2 HIS A 7 1.083 7.461 -13.746 1.00 34.03 H new ATOM 0 HB3 HIS A 7 -0.011 8.659 -13.083 1.00 34.03 H new ATOM 0 HD2 HIS A 7 2.071 10.647 -11.583 1.00 4.15 H new ATOM 0 HE1 HIS A 7 4.137 10.749 -15.286 1.00 52.53 H new ATOM 0 HE2 HIS A 7 3.822 11.911 -13.043 1.00 10.15 H new ATOM 120 N GLU A 8 -0.734 8.166 -10.201 1.00 50.11 N ATOM 121 CA GLU A 8 -2.031 7.936 -9.576 1.00 30.12 C ATOM 122 C GLU A 8 -3.037 9.002 -10.001 1.00 61.32 C ATOM 123 O GLU A 8 -2.820 10.195 -9.792 1.00 44.32 O ATOM 124 CB GLU A 8 -1.893 7.928 -8.052 1.00 13.31 C ATOM 125 CG GLU A 8 -1.392 6.607 -7.493 1.00 10.43 C ATOM 126 CD GLU A 8 -2.432 5.901 -6.645 1.00 61.41 C ATOM 127 OE1 GLU A 8 -2.638 6.321 -5.487 1.00 60.12 O ATOM 128 OE2 GLU A 8 -3.039 4.928 -7.139 1.00 31.31 O ATOM 0 H GLU A 8 -0.297 9.053 -9.952 1.00 50.11 H new ATOM 0 HA GLU A 8 -2.397 6.964 -9.906 1.00 30.12 H new ATOM 0 HB2 GLU A 8 -1.209 8.722 -7.753 1.00 13.31 H new ATOM 0 HB3 GLU A 8 -2.861 8.157 -7.607 1.00 13.31 H new ATOM 0 HG2 GLU A 8 -1.098 5.956 -8.317 1.00 10.43 H new ATOM 0 HG3 GLU A 8 -0.500 6.786 -6.893 1.00 10.43 H new ATOM 135 N VAL A 9 -4.139 8.561 -10.600 1.00 40.51 N ATOM 136 CA VAL A 9 -5.179 9.476 -11.055 1.00 53.10 C ATOM 137 C VAL A 9 -6.557 9.017 -10.589 1.00 45.33 C ATOM 138 O VAL A 9 -7.406 8.616 -11.385 1.00 15.24 O ATOM 139 CB VAL A 9 -5.184 9.602 -12.590 1.00 72.11 C ATOM 140 CG1 VAL A 9 -6.190 10.651 -13.037 1.00 14.51 C ATOM 141 CG2 VAL A 9 -3.791 9.935 -13.101 1.00 42.53 C ATOM 0 H VAL A 9 -4.334 7.576 -10.781 1.00 40.51 H new ATOM 0 HA VAL A 9 -4.957 10.450 -10.619 1.00 53.10 H new ATOM 0 HB VAL A 9 -5.483 8.644 -13.015 1.00 72.11 H new ATOM 0 HG11 VAL A 9 -6.179 10.726 -14.124 1.00 14.51 H new ATOM 0 HG12 VAL A 9 -7.187 10.364 -12.703 1.00 14.51 H new ATOM 0 HG13 VAL A 9 -5.926 11.616 -12.604 1.00 14.51 H new ATOM 0 HG21 VAL A 9 -3.813 10.020 -14.187 1.00 42.53 H new ATOM 0 HG22 VAL A 9 -3.461 10.880 -12.669 1.00 42.53 H new ATOM 0 HG23 VAL A 9 -3.099 9.144 -12.813 1.00 42.53 H new ATOM 151 N PRO A 10 -6.785 9.077 -9.269 1.00 1.21 N ATOM 152 CA PRO A 10 -8.059 8.673 -8.667 1.00 23.33 C ATOM 153 C PRO A 10 -9.192 9.635 -9.005 1.00 44.54 C ATOM 154 O PRO A 10 -9.899 10.112 -8.118 1.00 62.10 O ATOM 155 CB PRO A 10 -7.765 8.700 -7.165 1.00 33.54 C ATOM 156 CG PRO A 10 -6.647 9.672 -7.014 1.00 63.14 C ATOM 157 CD PRO A 10 -5.817 9.545 -8.262 1.00 73.22 C ATOM 0 HA PRO A 10 -8.393 7.702 -9.033 1.00 23.33 H new ATOM 0 HB2 PRO A 10 -8.641 9.013 -6.596 1.00 33.54 H new ATOM 0 HB3 PRO A 10 -7.483 7.713 -6.799 1.00 33.54 H new ATOM 0 HG2 PRO A 10 -7.026 10.688 -6.899 1.00 63.14 H new ATOM 0 HG3 PRO A 10 -6.054 9.450 -6.127 1.00 63.14 H new ATOM 0 HD2 PRO A 10 -5.370 10.498 -8.546 1.00 73.22 H new ATOM 0 HD3 PRO A 10 -4.999 8.836 -8.131 1.00 73.22 H new ATOM 165 N GLN A 11 -9.358 9.917 -10.294 1.00 21.42 N ATOM 166 CA GLN A 11 -10.406 10.823 -10.748 1.00 45.23 C ATOM 167 C GLN A 11 -10.974 10.369 -12.089 1.00 13.43 C ATOM 168 O GLN A 11 -11.250 11.187 -12.968 1.00 33.25 O ATOM 169 CB GLN A 11 -9.860 12.247 -10.868 1.00 53.31 C ATOM 170 CG GLN A 11 -9.460 12.860 -9.536 1.00 21.44 C ATOM 171 CD GLN A 11 -7.957 12.955 -9.365 1.00 45.14 C ATOM 172 OE1 GLN A 11 -7.438 13.960 -8.878 1.00 20.24 O ATOM 173 NE2 GLN A 11 -7.247 11.907 -9.767 1.00 52.05 N ATOM 0 H GLN A 11 -8.781 9.531 -11.041 1.00 21.42 H new ATOM 0 HA GLN A 11 -11.209 10.810 -10.011 1.00 45.23 H new ATOM 0 HB2 GLN A 11 -8.994 12.240 -11.530 1.00 53.31 H new ATOM 0 HB3 GLN A 11 -10.615 12.878 -11.337 1.00 53.31 H new ATOM 0 HG2 GLN A 11 -9.895 13.856 -9.454 1.00 21.44 H new ATOM 0 HG3 GLN A 11 -9.877 12.262 -8.725 1.00 21.44 H new ATOM 0 HE21 GLN A 11 -7.718 11.094 -10.165 1.00 52.05 H new ATOM 0 HE22 GLN A 11 -6.231 11.915 -9.678 1.00 52.05 H new ATOM 182 N THR A 12 -11.147 9.060 -12.240 1.00 33.11 N ATOM 183 CA THR A 12 -11.682 8.497 -13.473 1.00 64.14 C ATOM 184 C THR A 12 -10.630 8.492 -14.577 1.00 4.44 C ATOM 185 O THR A 12 -10.294 7.442 -15.124 1.00 31.10 O ATOM 186 CB THR A 12 -12.916 9.280 -13.960 1.00 22.32 C ATOM 187 OG1 THR A 12 -13.702 9.701 -12.839 1.00 44.13 O ATOM 188 CG2 THR A 12 -13.766 8.427 -14.890 1.00 23.24 C ATOM 0 H THR A 12 -10.924 8.369 -11.523 1.00 33.11 H new ATOM 0 HA THR A 12 -11.976 7.472 -13.250 1.00 64.14 H new ATOM 0 HB THR A 12 -12.570 10.155 -14.510 1.00 22.32 H new ATOM 0 HG1 THR A 12 -14.484 10.200 -13.156 1.00 44.13 H new ATOM 0 HG21 THR A 12 -14.631 9.001 -15.221 1.00 23.24 H new ATOM 0 HG22 THR A 12 -13.174 8.132 -15.756 1.00 23.24 H new ATOM 0 HG23 THR A 12 -14.103 7.536 -14.360 1.00 23.24 H new ATOM 196 N PHE A 13 -10.111 9.673 -14.899 1.00 14.05 N ATOM 197 CA PHE A 13 -9.097 9.805 -15.937 1.00 63.15 C ATOM 198 C PHE A 13 -8.506 11.212 -15.945 1.00 63.31 C ATOM 199 O PHE A 13 -8.064 11.704 -16.982 1.00 44.24 O ATOM 200 CB PHE A 13 -9.695 9.484 -17.308 1.00 74.44 C ATOM 201 CG PHE A 13 -11.107 9.968 -17.474 1.00 53.35 C ATOM 202 CD1 PHE A 13 -11.459 11.257 -17.106 1.00 73.25 C ATOM 203 CD2 PHE A 13 -12.083 9.135 -17.998 1.00 43.01 C ATOM 204 CE1 PHE A 13 -12.758 11.706 -17.258 1.00 44.23 C ATOM 205 CE2 PHE A 13 -13.382 9.579 -18.153 1.00 34.14 C ATOM 206 CZ PHE A 13 -13.721 10.866 -17.781 1.00 64.42 C ATOM 0 H PHE A 13 -10.377 10.552 -14.455 1.00 14.05 H new ATOM 0 HA PHE A 13 -8.298 9.095 -15.721 1.00 63.15 H new ATOM 0 HB2 PHE A 13 -9.072 9.933 -18.081 1.00 74.44 H new ATOM 0 HB3 PHE A 13 -9.668 8.406 -17.464 1.00 74.44 H new ATOM 0 HD1 PHE A 13 -10.710 11.918 -16.696 1.00 73.25 H new ATOM 0 HD2 PHE A 13 -11.825 8.127 -18.288 1.00 43.01 H new ATOM 0 HE1 PHE A 13 -13.019 12.713 -16.968 1.00 44.23 H new ATOM 0 HE2 PHE A 13 -14.132 8.920 -18.565 1.00 34.14 H new ATOM 0 HZ PHE A 13 -14.737 11.214 -17.899 1.00 64.42 H new ATOM 216 N GLU A 14 -8.503 11.852 -14.780 1.00 41.32 N ATOM 217 CA GLU A 14 -7.968 13.203 -14.653 1.00 62.21 C ATOM 218 C GLU A 14 -8.810 14.199 -15.445 1.00 73.52 C ATOM 219 O GLU A 14 -8.901 14.116 -16.670 1.00 44.42 O ATOM 220 CB GLU A 14 -6.517 13.248 -15.136 1.00 63.14 C ATOM 221 CG GLU A 14 -5.523 13.610 -14.046 1.00 21.14 C ATOM 222 CD GLU A 14 -4.204 12.876 -14.191 1.00 43.55 C ATOM 223 OE1 GLU A 14 -3.958 12.306 -15.275 1.00 20.04 O ATOM 224 OE2 GLU A 14 -3.417 12.874 -13.222 1.00 22.35 O ATOM 0 H GLU A 14 -8.864 11.458 -13.912 1.00 41.32 H new ATOM 0 HA GLU A 14 -8.002 13.482 -13.600 1.00 62.21 H new ATOM 0 HB2 GLU A 14 -6.251 12.276 -15.550 1.00 63.14 H new ATOM 0 HB3 GLU A 14 -6.435 13.973 -15.946 1.00 63.14 H new ATOM 0 HG2 GLU A 14 -5.341 14.684 -14.068 1.00 21.14 H new ATOM 0 HG3 GLU A 14 -5.957 13.380 -13.073 1.00 21.14 H new ATOM 231 N VAL A 15 -9.426 15.139 -14.736 1.00 55.11 N ATOM 232 CA VAL A 15 -10.261 16.151 -15.371 1.00 55.55 C ATOM 233 C VAL A 15 -9.434 17.359 -15.796 1.00 44.13 C ATOM 234 O VAL A 15 -8.406 17.663 -15.192 1.00 22.53 O ATOM 235 CB VAL A 15 -11.388 16.620 -14.432 1.00 12.23 C ATOM 236 CG1 VAL A 15 -12.429 17.418 -15.202 1.00 40.32 C ATOM 237 CG2 VAL A 15 -12.027 15.430 -13.732 1.00 54.30 C ATOM 0 H VAL A 15 -9.362 15.221 -13.721 1.00 55.11 H new ATOM 0 HA VAL A 15 -10.702 15.688 -16.253 1.00 55.55 H new ATOM 0 HB VAL A 15 -10.956 17.271 -13.672 1.00 12.23 H new ATOM 0 HG11 VAL A 15 -13.217 17.740 -14.521 1.00 40.32 H new ATOM 0 HG12 VAL A 15 -11.958 18.292 -15.652 1.00 40.32 H new ATOM 0 HG13 VAL A 15 -12.859 16.794 -15.985 1.00 40.32 H new ATOM 0 HG21 VAL A 15 -12.821 15.779 -13.072 1.00 54.30 H new ATOM 0 HG22 VAL A 15 -12.445 14.752 -14.476 1.00 54.30 H new ATOM 0 HG23 VAL A 15 -11.273 14.905 -13.146 1.00 54.30 H new ATOM 247 N GLU A 16 -9.889 18.045 -16.840 1.00 75.31 N ATOM 248 CA GLU A 16 -9.190 19.220 -17.346 1.00 22.12 C ATOM 249 C GLU A 16 -9.349 20.400 -16.392 1.00 0.31 C ATOM 250 O GLU A 16 -8.387 20.834 -15.758 1.00 43.13 O ATOM 251 CB GLU A 16 -9.715 19.596 -18.733 1.00 14.23 C ATOM 252 CG GLU A 16 -8.640 19.621 -19.805 1.00 64.54 C ATOM 253 CD GLU A 16 -7.978 20.978 -19.937 1.00 42.52 C ATOM 254 OE1 GLU A 16 -8.103 21.792 -18.998 1.00 42.31 O ATOM 255 OE2 GLU A 16 -7.336 21.228 -20.979 1.00 24.43 O ATOM 0 H GLU A 16 -10.739 17.807 -17.352 1.00 75.31 H new ATOM 0 HA GLU A 16 -8.130 18.976 -17.421 1.00 22.12 H new ATOM 0 HB2 GLU A 16 -10.489 18.886 -19.024 1.00 14.23 H new ATOM 0 HB3 GLU A 16 -10.186 20.578 -18.680 1.00 14.23 H new ATOM 0 HG2 GLU A 16 -7.882 18.873 -19.572 1.00 64.54 H new ATOM 0 HG3 GLU A 16 -9.080 19.341 -20.762 1.00 64.54 H new ATOM 262 N ARG A 17 -10.570 20.915 -16.296 1.00 14.30 N ATOM 263 CA ARG A 17 -10.856 22.046 -15.422 1.00 10.45 C ATOM 264 C ARG A 17 -12.354 22.330 -15.371 1.00 75.13 C ATOM 265 O ARG A 17 -13.116 21.845 -16.209 1.00 32.04 O ATOM 266 CB ARG A 17 -10.106 23.291 -15.901 1.00 34.14 C ATOM 267 CG ARG A 17 -10.889 24.126 -16.901 1.00 30.21 C ATOM 268 CD ARG A 17 -11.269 23.313 -18.129 1.00 30.04 C ATOM 269 NE ARG A 17 -11.143 24.089 -19.359 1.00 52.14 N ATOM 270 CZ ARG A 17 -11.928 25.116 -19.664 1.00 14.31 C ATOM 271 NH1 ARG A 17 -12.890 25.489 -18.831 1.00 55.34 N ATOM 272 NH2 ARG A 17 -11.752 25.773 -20.803 1.00 44.22 N ATOM 0 H ARG A 17 -11.377 20.567 -16.813 1.00 14.30 H new ATOM 0 HA ARG A 17 -10.518 21.790 -14.418 1.00 10.45 H new ATOM 0 HB2 ARG A 17 -9.858 23.910 -15.039 1.00 34.14 H new ATOM 0 HB3 ARG A 17 -9.163 22.985 -16.355 1.00 34.14 H new ATOM 0 HG2 ARG A 17 -11.791 24.513 -16.426 1.00 30.21 H new ATOM 0 HG3 ARG A 17 -10.293 24.987 -17.203 1.00 30.21 H new ATOM 0 HD2 ARG A 17 -10.633 22.430 -18.190 1.00 30.04 H new ATOM 0 HD3 ARG A 17 -12.295 22.960 -18.027 1.00 30.04 H new ATOM 0 HE ARG A 17 -10.412 23.828 -20.021 1.00 52.14 H new ATOM 0 HH11 ARG A 17 -13.028 24.987 -17.954 1.00 55.34 H new ATOM 0 HH12 ARG A 17 -13.492 26.278 -19.067 1.00 55.34 H new ATOM 0 HH21 ARG A 17 -11.013 25.490 -21.446 1.00 44.22 H new ATOM 0 HH22 ARG A 17 -12.356 26.561 -21.036 1.00 44.22 H new ATOM 286 N ILE A 18 -12.770 23.117 -14.385 1.00 3.03 N ATOM 287 CA ILE A 18 -14.176 23.465 -14.226 1.00 52.12 C ATOM 288 C ILE A 18 -14.635 24.416 -15.326 1.00 45.34 C ATOM 289 O ILE A 18 -14.223 25.576 -15.371 1.00 34.15 O ATOM 290 CB ILE A 18 -14.444 24.116 -12.856 1.00 73.51 C ATOM 291 CG1 ILE A 18 -13.917 23.222 -11.731 1.00 53.22 C ATOM 292 CG2 ILE A 18 -15.932 24.380 -12.677 1.00 62.23 C ATOM 293 CD1 ILE A 18 -14.861 22.101 -11.358 1.00 30.50 C ATOM 0 H ILE A 18 -12.153 23.526 -13.684 1.00 3.03 H new ATOM 0 HA ILE A 18 -14.740 22.535 -14.294 1.00 52.12 H new ATOM 0 HB ILE A 18 -13.918 25.070 -12.814 1.00 73.51 H new ATOM 0 HG12 ILE A 18 -12.961 22.795 -12.035 1.00 53.22 H new ATOM 0 HG13 ILE A 18 -13.727 23.835 -10.850 1.00 53.22 H new ATOM 0 HG21 ILE A 18 -16.105 24.840 -11.704 1.00 62.23 H new ATOM 0 HG22 ILE A 18 -16.280 25.051 -13.463 1.00 62.23 H new ATOM 0 HG23 ILE A 18 -16.478 23.439 -12.736 1.00 62.23 H new ATOM 0 HD11 ILE A 18 -14.423 21.508 -10.555 1.00 30.50 H new ATOM 0 HD12 ILE A 18 -15.810 22.520 -11.023 1.00 30.50 H new ATOM 0 HD13 ILE A 18 -15.032 21.465 -12.227 1.00 30.50 H new ATOM 305 N VAL A 19 -15.491 23.918 -16.213 1.00 44.31 N ATOM 306 CA VAL A 19 -16.008 24.724 -17.312 1.00 50.43 C ATOM 307 C VAL A 19 -16.763 25.943 -16.793 1.00 31.45 C ATOM 308 O VAL A 19 -16.447 27.079 -17.146 1.00 31.31 O ATOM 309 CB VAL A 19 -16.943 23.903 -18.219 1.00 35.30 C ATOM 310 CG1 VAL A 19 -17.283 24.681 -19.481 1.00 35.11 C ATOM 311 CG2 VAL A 19 -16.310 22.563 -18.563 1.00 42.22 C ATOM 0 H VAL A 19 -15.841 22.960 -16.192 1.00 44.31 H new ATOM 0 HA VAL A 19 -15.147 25.054 -17.894 1.00 50.43 H new ATOM 0 HB VAL A 19 -17.870 23.713 -17.678 1.00 35.30 H new ATOM 0 HG11 VAL A 19 -17.945 24.084 -20.109 1.00 35.11 H new ATOM 0 HG12 VAL A 19 -17.781 25.612 -19.211 1.00 35.11 H new ATOM 0 HG13 VAL A 19 -16.367 24.905 -20.028 1.00 35.11 H new ATOM 0 HG21 VAL A 19 -16.985 21.996 -19.205 1.00 42.22 H new ATOM 0 HG22 VAL A 19 -15.367 22.729 -19.084 1.00 42.22 H new ATOM 0 HG23 VAL A 19 -16.124 22.003 -17.647 1.00 42.22 H new ATOM 321 N ARG A 20 -17.762 25.698 -15.951 1.00 31.11 N ATOM 322 CA ARG A 20 -18.563 26.775 -15.382 1.00 53.14 C ATOM 323 C ARG A 20 -19.330 26.292 -14.155 1.00 14.42 C ATOM 324 O ARG A 20 -19.131 25.172 -13.685 1.00 43.01 O ATOM 325 CB ARG A 20 -19.540 27.318 -16.427 1.00 15.44 C ATOM 326 CG ARG A 20 -20.493 26.268 -16.973 1.00 55.24 C ATOM 327 CD ARG A 20 -20.081 25.812 -18.364 1.00 72.03 C ATOM 328 NE ARG A 20 -21.230 25.658 -19.253 1.00 1.32 N ATOM 329 CZ ARG A 20 -21.144 25.695 -20.578 1.00 31.21 C ATOM 330 NH1 ARG A 20 -19.969 25.878 -21.165 1.00 15.43 N ATOM 331 NH2 ARG A 20 -22.235 25.547 -21.319 1.00 21.11 N ATOM 0 H ARG A 20 -18.036 24.763 -15.648 1.00 31.11 H new ATOM 0 HA ARG A 20 -17.888 27.574 -15.075 1.00 53.14 H new ATOM 0 HB2 ARG A 20 -20.120 28.128 -15.984 1.00 15.44 H new ATOM 0 HB3 ARG A 20 -18.973 27.747 -17.253 1.00 15.44 H new ATOM 0 HG2 ARG A 20 -20.516 25.411 -16.300 1.00 55.24 H new ATOM 0 HG3 ARG A 20 -21.504 26.675 -17.007 1.00 55.24 H new ATOM 0 HD2 ARG A 20 -19.386 26.535 -18.791 1.00 72.03 H new ATOM 0 HD3 ARG A 20 -19.549 24.863 -18.292 1.00 72.03 H new ATOM 0 HE ARG A 20 -22.148 25.514 -18.833 1.00 1.32 H new ATOM 0 HH11 ARG A 20 -19.128 25.991 -20.599 1.00 15.43 H new ATOM 0 HH12 ARG A 20 -19.906 25.906 -22.183 1.00 15.43 H new ATOM 0 HH21 ARG A 20 -23.140 25.405 -20.871 1.00 21.11 H new ATOM 0 HH22 ARG A 20 -22.168 25.576 -22.336 1.00 21.11 H new ATOM 345 N LYS A 21 -20.209 27.146 -13.639 1.00 63.21 N ATOM 346 CA LYS A 21 -21.007 26.808 -12.467 1.00 30.22 C ATOM 347 C LYS A 21 -22.325 27.576 -12.466 1.00 61.12 C ATOM 348 O LYS A 21 -22.445 28.625 -13.100 1.00 63.40 O ATOM 349 CB LYS A 21 -20.226 27.113 -11.187 1.00 2.41 C ATOM 350 CG LYS A 21 -20.054 28.599 -10.919 1.00 63.42 C ATOM 351 CD LYS A 21 -19.608 28.860 -9.490 1.00 64.33 C ATOM 352 CE LYS A 21 -20.311 30.072 -8.900 1.00 4.32 C ATOM 353 NZ LYS A 21 -20.198 31.264 -9.785 1.00 54.33 N ATOM 0 H LYS A 21 -20.386 28.077 -14.015 1.00 63.21 H new ATOM 0 HA LYS A 21 -21.228 25.741 -12.505 1.00 30.22 H new ATOM 0 HB2 LYS A 21 -20.739 26.657 -10.341 1.00 2.41 H new ATOM 0 HB3 LYS A 21 -19.242 26.648 -11.252 1.00 2.41 H new ATOM 0 HG2 LYS A 21 -19.320 29.012 -11.611 1.00 63.42 H new ATOM 0 HG3 LYS A 21 -20.996 29.115 -11.107 1.00 63.42 H new ATOM 0 HD2 LYS A 21 -19.816 27.983 -8.877 1.00 64.33 H new ATOM 0 HD3 LYS A 21 -18.530 29.017 -9.467 1.00 64.33 H new ATOM 0 HE2 LYS A 21 -21.363 29.838 -8.738 1.00 4.32 H new ATOM 0 HE3 LYS A 21 -19.882 30.302 -7.925 1.00 4.32 H new ATOM 0 HZ1 LYS A 21 -20.342 32.128 -9.224 1.00 54.33 H new ATOM 0 HZ2 LYS A 21 -19.253 31.286 -10.219 1.00 54.33 H new ATOM 0 HZ3 LYS A 21 -20.920 31.212 -10.531 1.00 54.33 H new ATOM 367 N LYS A 22 -23.312 27.048 -11.750 1.00 4.13 N ATOM 368 CA LYS A 22 -24.621 27.685 -11.664 1.00 25.25 C ATOM 369 C LYS A 22 -25.487 27.007 -10.607 1.00 4.25 C ATOM 370 O LYS A 22 -25.416 25.792 -10.419 1.00 55.11 O ATOM 371 CB LYS A 22 -25.324 27.637 -13.022 1.00 10.12 C ATOM 372 CG LYS A 22 -25.856 26.261 -13.383 1.00 52.22 C ATOM 373 CD LYS A 22 -27.374 26.216 -13.321 1.00 43.35 C ATOM 374 CE LYS A 22 -27.986 26.131 -14.711 1.00 62.43 C ATOM 375 NZ LYS A 22 -29.428 26.502 -14.706 1.00 61.21 N ATOM 0 H LYS A 22 -23.230 26.180 -11.221 1.00 4.13 H new ATOM 0 HA LYS A 22 -24.473 28.725 -11.375 1.00 25.25 H new ATOM 0 HB2 LYS A 22 -26.150 28.348 -13.019 1.00 10.12 H new ATOM 0 HB3 LYS A 22 -24.627 27.962 -13.794 1.00 10.12 H new ATOM 0 HG2 LYS A 22 -25.524 25.993 -14.386 1.00 52.22 H new ATOM 0 HG3 LYS A 22 -25.441 25.519 -12.701 1.00 52.22 H new ATOM 0 HD2 LYS A 22 -27.690 25.356 -12.730 1.00 43.35 H new ATOM 0 HD3 LYS A 22 -27.745 27.106 -12.813 1.00 43.35 H new ATOM 0 HE2 LYS A 22 -27.444 26.791 -15.388 1.00 62.43 H new ATOM 0 HE3 LYS A 22 -27.873 25.118 -15.096 1.00 62.43 H new ATOM 0 HZ1 LYS A 22 -29.808 26.431 -15.672 1.00 61.21 H new ATOM 0 HZ2 LYS A 22 -29.950 25.856 -14.080 1.00 61.21 H new ATOM 0 HZ3 LYS A 22 -29.534 27.478 -14.363 1.00 61.21 H new ATOM 389 N ILE A 23 -26.303 27.800 -9.920 1.00 61.31 N ATOM 390 CA ILE A 23 -27.184 27.275 -8.884 1.00 70.13 C ATOM 391 C ILE A 23 -28.641 27.307 -9.334 1.00 22.02 C ATOM 392 O ILE A 23 -29.040 28.164 -10.123 1.00 23.42 O ATOM 393 CB ILE A 23 -27.046 28.069 -7.572 1.00 42.21 C ATOM 394 CG1 ILE A 23 -27.893 29.342 -7.629 1.00 34.30 C ATOM 395 CG2 ILE A 23 -25.586 28.410 -7.310 1.00 73.33 C ATOM 396 CD1 ILE A 23 -29.272 29.177 -7.028 1.00 42.00 C ATOM 0 H ILE A 23 -26.372 28.808 -10.062 1.00 61.31 H new ATOM 0 HA ILE A 23 -26.883 26.242 -8.707 1.00 70.13 H new ATOM 0 HB ILE A 23 -27.408 27.450 -6.751 1.00 42.21 H new ATOM 0 HG12 ILE A 23 -27.370 30.141 -7.104 1.00 34.30 H new ATOM 0 HG13 ILE A 23 -27.993 29.656 -8.668 1.00 34.30 H new ATOM 0 HG21 ILE A 23 -25.505 28.971 -6.379 1.00 73.33 H new ATOM 0 HG22 ILE A 23 -25.006 27.490 -7.231 1.00 73.33 H new ATOM 0 HG23 ILE A 23 -25.200 29.013 -8.132 1.00 73.33 H new ATOM 0 HD11 ILE A 23 -29.816 30.118 -7.103 1.00 42.00 H new ATOM 0 HD12 ILE A 23 -29.814 28.401 -7.568 1.00 42.00 H new ATOM 0 HD13 ILE A 23 -29.180 28.893 -5.980 1.00 42.00 H new ATOM 408 N VAL A 24 -29.432 26.368 -8.825 1.00 13.24 N ATOM 409 CA VAL A 24 -30.846 26.290 -9.171 1.00 15.21 C ATOM 410 C VAL A 24 -31.701 26.024 -7.937 1.00 3.25 C ATOM 411 O VAL A 24 -31.490 25.044 -7.222 1.00 20.22 O ATOM 412 CB VAL A 24 -31.109 25.185 -10.211 1.00 54.34 C ATOM 413 CG1 VAL A 24 -32.192 25.618 -11.188 1.00 52.10 C ATOM 414 CG2 VAL A 24 -29.826 24.831 -10.948 1.00 12.32 C ATOM 0 H VAL A 24 -29.117 25.651 -8.172 1.00 13.24 H new ATOM 0 HA VAL A 24 -31.120 27.255 -9.598 1.00 15.21 H new ATOM 0 HB VAL A 24 -31.459 24.295 -9.689 1.00 54.34 H new ATOM 0 HG11 VAL A 24 -32.364 24.825 -11.915 1.00 52.10 H new ATOM 0 HG12 VAL A 24 -33.115 25.817 -10.643 1.00 52.10 H new ATOM 0 HG13 VAL A 24 -31.874 26.523 -11.706 1.00 52.10 H new ATOM 0 HG21 VAL A 24 -30.030 24.049 -11.679 1.00 12.32 H new ATOM 0 HG22 VAL A 24 -29.444 25.715 -11.459 1.00 12.32 H new ATOM 0 HG23 VAL A 24 -29.083 24.476 -10.234 1.00 12.32 H new ATOM 424 N HIS A 25 -32.667 26.904 -7.691 1.00 62.24 N ATOM 425 CA HIS A 25 -33.555 26.764 -6.543 1.00 20.41 C ATOM 426 C HIS A 25 -32.756 26.672 -5.246 1.00 51.13 C ATOM 427 O HIS A 25 -33.223 26.112 -4.256 1.00 35.32 O ATOM 428 CB HIS A 25 -34.436 25.524 -6.701 1.00 51.23 C ATOM 429 CG HIS A 25 -35.861 25.746 -6.296 1.00 42.54 C ATOM 430 ND1 HIS A 25 -36.425 25.167 -5.179 1.00 40.24 N ATOM 431 CD2 HIS A 25 -36.837 26.492 -6.866 1.00 30.53 C ATOM 432 CE1 HIS A 25 -37.687 25.545 -5.080 1.00 61.11 C ATOM 433 NE2 HIS A 25 -37.962 26.349 -6.091 1.00 1.40 N ATOM 0 H HIS A 25 -32.854 27.721 -8.272 1.00 62.24 H new ATOM 0 HA HIS A 25 -34.190 27.649 -6.496 1.00 20.41 H new ATOM 0 HB2 HIS A 25 -34.409 25.199 -7.741 1.00 51.23 H new ATOM 0 HB3 HIS A 25 -34.019 24.714 -6.103 1.00 51.23 H new ATOM 0 HD2 HIS A 25 -36.748 27.088 -7.762 1.00 30.53 H new ATOM 0 HE1 HIS A 25 -38.377 25.247 -4.304 1.00 61.11 H new ATOM 0 HE2 HIS A 25 -38.864 26.792 -6.268 1.00 1.40 H new ATOM 441 N GLY A 26 -31.548 27.226 -5.261 1.00 5.42 N ATOM 442 CA GLY A 26 -30.703 27.195 -4.081 1.00 50.40 C ATOM 443 C GLY A 26 -29.748 26.018 -4.082 1.00 54.01 C ATOM 444 O GLY A 26 -29.132 25.709 -3.063 1.00 50.42 O ATOM 0 H GLY A 26 -31.139 27.696 -6.069 1.00 5.42 H new ATOM 0 HA2 GLY A 26 -30.132 28.122 -4.022 1.00 50.40 H new ATOM 0 HA3 GLY A 26 -31.330 27.150 -3.190 1.00 50.40 H new ATOM 448 N ASN A 27 -29.627 25.358 -5.229 1.00 60.41 N ATOM 449 CA ASN A 27 -28.742 24.206 -5.358 1.00 31.52 C ATOM 450 C ASN A 27 -27.596 24.505 -6.319 1.00 24.21 C ATOM 451 O ASN A 27 -27.785 24.549 -7.535 1.00 61.10 O ATOM 452 CB ASN A 27 -29.526 22.986 -5.846 1.00 33.22 C ATOM 453 CG ASN A 27 -30.687 22.641 -4.932 1.00 43.12 C ATOM 454 OD1 ASN A 27 -30.505 22.423 -3.734 1.00 44.53 O ATOM 455 ND2 ASN A 27 -31.888 22.590 -5.496 1.00 30.33 N ATOM 0 H ASN A 27 -30.130 25.601 -6.082 1.00 60.41 H new ATOM 0 HA ASN A 27 -28.322 23.991 -4.375 1.00 31.52 H new ATOM 0 HB2 ASN A 27 -29.903 23.178 -6.851 1.00 33.22 H new ATOM 0 HB3 ASN A 27 -28.855 22.130 -5.915 1.00 33.22 H new ATOM 0 HD21 ASN A 27 -32.707 22.363 -4.932 1.00 30.33 H new ATOM 0 HD22 ASN A 27 -31.992 22.778 -6.493 1.00 30.33 H new ATOM 462 N THR A 28 -26.404 24.710 -5.765 1.00 74.42 N ATOM 463 CA THR A 28 -25.227 25.005 -6.572 1.00 12.21 C ATOM 464 C THR A 28 -24.821 23.801 -7.414 1.00 54.12 C ATOM 465 O THR A 28 -24.944 22.657 -6.978 1.00 21.32 O ATOM 466 CB THR A 28 -24.035 25.427 -5.693 1.00 11.45 C ATOM 467 OG1 THR A 28 -24.498 26.192 -4.574 1.00 31.02 O ATOM 468 CG2 THR A 28 -23.035 26.247 -6.494 1.00 62.40 C ATOM 0 H THR A 28 -26.229 24.677 -4.761 1.00 74.42 H new ATOM 0 HA THR A 28 -25.495 25.831 -7.230 1.00 12.21 H new ATOM 0 HB THR A 28 -23.538 24.525 -5.336 1.00 11.45 H new ATOM 0 HG1 THR A 28 -23.734 26.455 -4.019 1.00 31.02 H new ATOM 0 HG21 THR A 28 -22.202 26.533 -5.852 1.00 62.40 H new ATOM 0 HG22 THR A 28 -22.662 25.653 -7.328 1.00 62.40 H new ATOM 0 HG23 THR A 28 -23.523 27.143 -6.877 1.00 62.40 H new ATOM 476 N SER A 29 -24.337 24.067 -8.623 1.00 73.33 N ATOM 477 CA SER A 29 -23.916 23.004 -9.528 1.00 70.23 C ATOM 478 C SER A 29 -22.673 23.417 -10.310 1.00 40.24 C ATOM 479 O SER A 29 -22.643 24.478 -10.935 1.00 21.03 O ATOM 480 CB SER A 29 -25.047 22.651 -10.496 1.00 33.20 C ATOM 481 OG SER A 29 -26.210 22.245 -9.795 1.00 22.51 O ATOM 0 H SER A 29 -24.227 25.009 -8.998 1.00 73.33 H new ATOM 0 HA SER A 29 -23.673 22.126 -8.929 1.00 70.23 H new ATOM 0 HB2 SER A 29 -25.278 23.514 -11.121 1.00 33.20 H new ATOM 0 HB3 SER A 29 -24.723 21.852 -11.163 1.00 33.20 H new ATOM 0 HG SER A 29 -26.919 22.026 -10.436 1.00 22.51 H new ATOM 487 N TYR A 30 -21.649 22.572 -10.271 1.00 72.24 N ATOM 488 CA TYR A 30 -20.402 22.849 -10.974 1.00 1.02 C ATOM 489 C TYR A 30 -20.275 21.981 -12.222 1.00 50.00 C ATOM 490 O TYR A 30 -20.220 20.753 -12.136 1.00 54.54 O ATOM 491 CB TYR A 30 -19.207 22.610 -10.049 1.00 32.50 C ATOM 492 CG TYR A 30 -18.908 23.774 -9.133 1.00 4.51 C ATOM 493 CD1 TYR A 30 -19.902 24.334 -8.339 1.00 64.35 C ATOM 494 CD2 TYR A 30 -17.630 24.315 -9.060 1.00 43.31 C ATOM 495 CE1 TYR A 30 -19.632 25.399 -7.502 1.00 33.42 C ATOM 496 CE2 TYR A 30 -17.351 25.379 -8.224 1.00 41.31 C ATOM 497 CZ TYR A 30 -18.356 25.918 -7.447 1.00 65.44 C ATOM 498 OH TYR A 30 -18.083 26.977 -6.613 1.00 41.51 O ATOM 0 H TYR A 30 -21.658 21.689 -9.760 1.00 72.24 H new ATOM 0 HA TYR A 30 -20.412 23.895 -11.281 1.00 1.02 H new ATOM 0 HB2 TYR A 30 -19.398 21.723 -9.445 1.00 32.50 H new ATOM 0 HB3 TYR A 30 -18.326 22.400 -10.655 1.00 32.50 H new ATOM 0 HD1 TYR A 30 -20.903 23.929 -8.377 1.00 64.35 H new ATOM 0 HD2 TYR A 30 -16.841 23.896 -9.667 1.00 43.31 H new ATOM 0 HE1 TYR A 30 -20.417 25.823 -6.893 1.00 33.42 H new ATOM 0 HE2 TYR A 30 -16.352 25.787 -8.179 1.00 41.31 H new ATOM 0 HH TYR A 30 -17.301 26.766 -6.061 1.00 41.51 H new ATOM 508 N LEU A 31 -20.228 22.627 -13.382 1.00 10.54 N ATOM 509 CA LEU A 31 -20.107 21.916 -14.650 1.00 3.44 C ATOM 510 C LEU A 31 -18.644 21.777 -15.058 1.00 43.30 C ATOM 511 O LEU A 31 -17.977 22.766 -15.366 1.00 33.24 O ATOM 512 CB LEU A 31 -20.886 22.648 -15.744 1.00 32.03 C ATOM 513 CG LEU A 31 -20.985 21.931 -17.091 1.00 0.41 C ATOM 514 CD1 LEU A 31 -21.361 20.471 -16.892 1.00 54.35 C ATOM 515 CD2 LEU A 31 -21.995 22.627 -17.992 1.00 61.21 C ATOM 0 H LEU A 31 -20.272 23.642 -13.471 1.00 10.54 H new ATOM 0 HA LEU A 31 -20.526 20.918 -14.520 1.00 3.44 H new ATOM 0 HB2 LEU A 31 -21.896 22.835 -15.380 1.00 32.03 H new ATOM 0 HB3 LEU A 31 -20.420 23.620 -15.906 1.00 32.03 H new ATOM 0 HG LEU A 31 -20.009 21.970 -17.575 1.00 0.41 H new ATOM 0 HD11 LEU A 31 -21.427 19.977 -17.861 1.00 54.35 H new ATOM 0 HD12 LEU A 31 -20.601 19.979 -16.285 1.00 54.35 H new ATOM 0 HD13 LEU A 31 -22.325 20.409 -16.387 1.00 54.35 H new ATOM 0 HD21 LEU A 31 -22.053 22.104 -18.946 1.00 61.21 H new ATOM 0 HD22 LEU A 31 -22.975 22.619 -17.514 1.00 61.21 H new ATOM 0 HD23 LEU A 31 -21.682 23.657 -18.162 1.00 61.21 H new ATOM 527 N VAL A 32 -18.150 20.543 -15.061 1.00 11.11 N ATOM 528 CA VAL A 32 -16.767 20.274 -15.435 1.00 61.30 C ATOM 529 C VAL A 32 -16.695 19.334 -16.634 1.00 2.25 C ATOM 530 O VAL A 32 -17.501 18.413 -16.764 1.00 53.12 O ATOM 531 CB VAL A 32 -15.979 19.656 -14.264 1.00 40.25 C ATOM 532 CG1 VAL A 32 -16.476 18.249 -13.969 1.00 51.32 C ATOM 533 CG2 VAL A 32 -14.489 19.651 -14.570 1.00 22.11 C ATOM 0 H VAL A 32 -18.687 19.714 -14.808 1.00 11.11 H new ATOM 0 HA VAL A 32 -16.318 21.231 -15.700 1.00 61.30 H new ATOM 0 HB VAL A 32 -16.143 20.266 -13.376 1.00 40.25 H new ATOM 0 HG11 VAL A 32 -15.908 17.829 -13.139 1.00 51.32 H new ATOM 0 HG12 VAL A 32 -17.533 18.284 -13.704 1.00 51.32 H new ATOM 0 HG13 VAL A 32 -16.344 17.624 -14.852 1.00 51.32 H new ATOM 0 HG21 VAL A 32 -13.947 19.211 -13.733 1.00 22.11 H new ATOM 0 HG22 VAL A 32 -14.304 19.064 -15.470 1.00 22.11 H new ATOM 0 HG23 VAL A 32 -14.146 20.674 -14.727 1.00 22.11 H new ATOM 543 N LYS A 33 -15.723 19.573 -17.507 1.00 63.44 N ATOM 544 CA LYS A 33 -15.542 18.747 -18.696 1.00 12.31 C ATOM 545 C LYS A 33 -14.727 17.499 -18.373 1.00 14.02 C ATOM 546 O LYS A 33 -14.495 17.183 -17.206 1.00 11.11 O ATOM 547 CB LYS A 33 -14.849 19.550 -19.799 1.00 52.30 C ATOM 548 CG LYS A 33 -13.505 20.122 -19.382 1.00 53.23 C ATOM 549 CD LYS A 33 -12.922 21.018 -20.462 1.00 4.22 C ATOM 550 CE LYS A 33 -13.732 22.295 -20.624 1.00 45.41 C ATOM 551 NZ LYS A 33 -13.187 23.164 -21.704 1.00 61.02 N ATOM 0 H LYS A 33 -15.048 20.332 -17.414 1.00 63.44 H new ATOM 0 HA LYS A 33 -16.527 18.436 -19.045 1.00 12.31 H new ATOM 0 HB2 LYS A 33 -14.707 18.909 -20.669 1.00 52.30 H new ATOM 0 HB3 LYS A 33 -15.502 20.366 -20.107 1.00 52.30 H new ATOM 0 HG2 LYS A 33 -13.621 20.691 -18.459 1.00 53.23 H new ATOM 0 HG3 LYS A 33 -12.812 19.308 -19.170 1.00 53.23 H new ATOM 0 HD2 LYS A 33 -11.891 21.269 -20.211 1.00 4.22 H new ATOM 0 HD3 LYS A 33 -12.897 20.479 -21.409 1.00 4.22 H new ATOM 0 HE2 LYS A 33 -14.768 22.042 -20.850 1.00 45.41 H new ATOM 0 HE3 LYS A 33 -13.736 22.845 -19.683 1.00 45.41 H new ATOM 0 HZ1 LYS A 33 -13.606 24.113 -21.630 1.00 61.02 H new ATOM 0 HZ2 LYS A 33 -12.154 23.233 -21.606 1.00 61.02 H new ATOM 0 HZ3 LYS A 33 -13.420 22.754 -22.631 1.00 61.02 H new ATOM 565 N TRP A 34 -14.296 16.795 -19.413 1.00 25.24 N ATOM 566 CA TRP A 34 -13.505 15.582 -19.238 1.00 60.54 C ATOM 567 C TRP A 34 -12.186 15.678 -19.997 1.00 70.32 C ATOM 568 O TRP A 34 -12.124 15.393 -21.193 1.00 40.25 O ATOM 569 CB TRP A 34 -14.294 14.361 -19.715 1.00 52.23 C ATOM 570 CG TRP A 34 -15.539 14.111 -18.920 1.00 14.15 C ATOM 571 CD1 TRP A 34 -15.763 14.457 -17.618 1.00 14.34 C ATOM 572 CD2 TRP A 34 -16.730 13.459 -19.374 1.00 53.21 C ATOM 573 NE1 TRP A 34 -17.022 14.060 -17.235 1.00 60.23 N ATOM 574 CE2 TRP A 34 -17.636 13.446 -18.295 1.00 3.00 C ATOM 575 CE3 TRP A 34 -17.121 12.887 -20.588 1.00 1.42 C ATOM 576 CZ2 TRP A 34 -18.905 12.882 -18.395 1.00 42.24 C ATOM 577 CZ3 TRP A 34 -18.381 12.328 -20.686 1.00 24.12 C ATOM 578 CH2 TRP A 34 -19.261 12.329 -19.595 1.00 42.24 C ATOM 0 H TRP A 34 -14.480 17.042 -20.385 1.00 25.24 H new ATOM 0 HA TRP A 34 -13.285 15.472 -18.176 1.00 60.54 H new ATOM 0 HB2 TRP A 34 -14.562 14.497 -20.763 1.00 52.23 H new ATOM 0 HB3 TRP A 34 -13.654 13.480 -19.661 1.00 52.23 H new ATOM 0 HD1 TRP A 34 -15.055 14.968 -16.982 1.00 14.34 H new ATOM 0 HE1 TRP A 34 -17.432 14.200 -16.312 1.00 60.23 H new ATOM 0 HE3 TRP A 34 -16.450 12.882 -21.434 1.00 1.42 H new ATOM 0 HZ2 TRP A 34 -19.584 12.881 -17.555 1.00 42.24 H new ATOM 0 HZ3 TRP A 34 -18.693 11.883 -21.619 1.00 24.12 H new ATOM 0 HH2 TRP A 34 -20.239 11.885 -19.704 1.00 42.24 H new ATOM 589 N LYS A 35 -11.132 16.080 -19.295 1.00 13.01 N ATOM 590 CA LYS A 35 -9.813 16.212 -19.902 1.00 11.44 C ATOM 591 C LYS A 35 -9.921 16.745 -21.327 1.00 4.43 C ATOM 592 O LYS A 35 -9.268 16.240 -22.239 1.00 10.20 O ATOM 593 CB LYS A 35 -9.092 14.862 -19.904 1.00 13.43 C ATOM 594 CG LYS A 35 -9.800 13.797 -20.723 1.00 23.53 C ATOM 595 CD LYS A 35 -8.856 12.669 -21.104 1.00 63.35 C ATOM 596 CE LYS A 35 -8.212 12.916 -22.460 1.00 64.21 C ATOM 597 NZ LYS A 35 -8.314 11.725 -23.348 1.00 24.41 N ATOM 0 H LYS A 35 -11.166 16.320 -18.304 1.00 13.01 H new ATOM 0 HA LYS A 35 -9.237 16.923 -19.309 1.00 11.44 H new ATOM 0 HB2 LYS A 35 -8.084 14.998 -20.295 1.00 13.43 H new ATOM 0 HB3 LYS A 35 -8.991 14.512 -18.877 1.00 13.43 H new ATOM 0 HG2 LYS A 35 -10.638 13.395 -20.153 1.00 23.53 H new ATOM 0 HG3 LYS A 35 -10.215 14.246 -21.625 1.00 23.53 H new ATOM 0 HD2 LYS A 35 -8.081 12.570 -20.344 1.00 63.35 H new ATOM 0 HD3 LYS A 35 -9.403 11.727 -21.126 1.00 63.35 H new ATOM 0 HE2 LYS A 35 -8.692 13.769 -22.940 1.00 64.21 H new ATOM 0 HE3 LYS A 35 -7.163 13.177 -22.322 1.00 64.21 H new ATOM 0 HZ1 LYS A 35 -7.864 11.934 -24.262 1.00 24.41 H new ATOM 0 HZ2 LYS A 35 -7.834 10.917 -22.902 1.00 24.41 H new ATOM 0 HZ3 LYS A 35 -9.316 11.491 -23.501 1.00 24.41 H new ATOM 611 N ASN A 36 -10.747 17.770 -21.510 1.00 32.04 N ATOM 612 CA ASN A 36 -10.939 18.372 -22.824 1.00 41.11 C ATOM 613 C ASN A 36 -11.325 17.316 -23.855 1.00 61.11 C ATOM 614 O ASN A 36 -10.648 17.147 -24.870 1.00 1.13 O ATOM 615 CB ASN A 36 -9.665 19.093 -23.268 1.00 42.15 C ATOM 616 CG ASN A 36 -9.779 20.600 -23.141 1.00 23.01 C ATOM 617 OD1 ASN A 36 -9.391 21.342 -24.044 1.00 34.41 O ATOM 618 ND2 ASN A 36 -10.312 21.060 -22.015 1.00 32.51 N ATOM 0 H ASN A 36 -11.294 18.201 -20.765 1.00 32.04 H new ATOM 0 HA ASN A 36 -11.751 19.095 -22.750 1.00 41.11 H new ATOM 0 HB2 ASN A 36 -8.825 18.743 -22.668 1.00 42.15 H new ATOM 0 HB3 ASN A 36 -9.447 18.834 -24.304 1.00 42.15 H new ATOM 0 HD21 ASN A 36 -10.413 22.065 -21.872 1.00 32.51 H new ATOM 0 HD22 ASN A 36 -10.620 20.408 -21.293 1.00 32.51 H new ATOM 625 N TYR A 37 -12.417 16.608 -23.588 1.00 41.14 N ATOM 626 CA TYR A 37 -12.892 15.567 -24.492 1.00 14.03 C ATOM 627 C TYR A 37 -14.334 15.831 -24.916 1.00 62.04 C ATOM 628 O TYR A 37 -14.658 15.802 -26.103 1.00 73.15 O ATOM 629 CB TYR A 37 -12.789 14.196 -23.822 1.00 73.43 C ATOM 630 CG TYR A 37 -13.492 13.095 -24.585 1.00 11.23 C ATOM 631 CD1 TYR A 37 -14.853 12.867 -24.417 1.00 65.13 C ATOM 632 CD2 TYR A 37 -12.796 12.283 -25.472 1.00 10.25 C ATOM 633 CE1 TYR A 37 -15.499 11.862 -25.111 1.00 41.31 C ATOM 634 CE2 TYR A 37 -13.434 11.277 -26.171 1.00 15.33 C ATOM 635 CZ TYR A 37 -14.786 11.071 -25.987 1.00 22.40 C ATOM 636 OH TYR A 37 -15.425 10.069 -26.680 1.00 71.35 O ATOM 0 H TYR A 37 -12.989 16.736 -22.754 1.00 41.14 H new ATOM 0 HA TYR A 37 -12.263 15.578 -25.382 1.00 14.03 H new ATOM 0 HB2 TYR A 37 -11.737 13.934 -23.709 1.00 73.43 H new ATOM 0 HB3 TYR A 37 -13.211 14.258 -22.819 1.00 73.43 H new ATOM 0 HD1 TYR A 37 -15.415 13.486 -23.733 1.00 65.13 H new ATOM 0 HD2 TYR A 37 -11.738 12.441 -25.617 1.00 10.25 H new ATOM 0 HE1 TYR A 37 -16.557 11.697 -24.968 1.00 41.31 H new ATOM 0 HE2 TYR A 37 -12.878 10.655 -26.857 1.00 15.33 H new ATOM 0 HH TYR A 37 -14.780 9.607 -27.255 1.00 71.35 H new ATOM 646 N SER A 38 -15.195 16.089 -23.937 1.00 44.10 N ATOM 647 CA SER A 38 -16.603 16.355 -24.207 1.00 45.42 C ATOM 648 C SER A 38 -16.840 17.846 -24.432 1.00 71.41 C ATOM 649 O SER A 38 -17.544 18.240 -25.362 1.00 31.12 O ATOM 650 CB SER A 38 -17.469 15.859 -23.048 1.00 61.54 C ATOM 651 OG SER A 38 -18.073 14.615 -23.360 1.00 54.31 O ATOM 0 H SER A 38 -14.942 16.119 -22.949 1.00 44.10 H new ATOM 0 HA SER A 38 -16.881 15.819 -25.114 1.00 45.42 H new ATOM 0 HB2 SER A 38 -16.858 15.756 -22.151 1.00 61.54 H new ATOM 0 HB3 SER A 38 -18.241 16.596 -22.825 1.00 61.54 H new ATOM 0 HG SER A 38 -17.960 13.998 -22.607 1.00 54.31 H new ATOM 657 N SER A 39 -16.247 18.669 -23.574 1.00 13.15 N ATOM 658 CA SER A 39 -16.397 20.116 -23.675 1.00 4.11 C ATOM 659 C SER A 39 -17.831 20.537 -23.371 1.00 32.23 C ATOM 660 O SER A 39 -18.131 21.020 -22.279 1.00 10.42 O ATOM 661 CB SER A 39 -15.998 20.595 -25.072 1.00 73.54 C ATOM 662 OG SER A 39 -14.782 21.321 -25.035 1.00 61.44 O ATOM 0 H SER A 39 -15.658 18.359 -22.801 1.00 13.15 H new ATOM 0 HA SER A 39 -15.738 20.577 -22.939 1.00 4.11 H new ATOM 0 HB2 SER A 39 -15.893 19.738 -25.737 1.00 73.54 H new ATOM 0 HB3 SER A 39 -16.788 21.223 -25.484 1.00 73.54 H new ATOM 0 HG SER A 39 -14.548 21.614 -25.940 1.00 61.44 H new ATOM 668 N LYS A 40 -18.715 20.349 -24.345 1.00 12.22 N ATOM 669 CA LYS A 40 -20.119 20.707 -24.184 1.00 15.13 C ATOM 670 C LYS A 40 -20.889 19.590 -23.486 1.00 1.34 C ATOM 671 O LYS A 40 -21.968 19.816 -22.937 1.00 25.14 O ATOM 672 CB LYS A 40 -20.751 21.002 -25.546 1.00 34.10 C ATOM 673 CG LYS A 40 -21.537 19.835 -26.117 1.00 73.54 C ATOM 674 CD LYS A 40 -20.634 18.653 -26.428 1.00 21.24 C ATOM 675 CE LYS A 40 -20.258 18.610 -27.901 1.00 3.42 C ATOM 676 NZ LYS A 40 -19.390 19.758 -28.285 1.00 23.02 N ATOM 0 H LYS A 40 -18.484 19.950 -25.255 1.00 12.22 H new ATOM 0 HA LYS A 40 -20.171 21.602 -23.565 1.00 15.13 H new ATOM 0 HB2 LYS A 40 -21.413 21.863 -25.451 1.00 34.10 H new ATOM 0 HB3 LYS A 40 -19.966 21.279 -26.249 1.00 34.10 H new ATOM 0 HG2 LYS A 40 -22.305 19.530 -25.406 1.00 73.54 H new ATOM 0 HG3 LYS A 40 -22.050 20.151 -27.025 1.00 73.54 H new ATOM 0 HD2 LYS A 40 -19.730 18.716 -25.822 1.00 21.24 H new ATOM 0 HD3 LYS A 40 -21.138 17.727 -26.153 1.00 21.24 H new ATOM 0 HE2 LYS A 40 -19.741 17.675 -28.117 1.00 3.42 H new ATOM 0 HE3 LYS A 40 -21.164 18.620 -28.508 1.00 3.42 H new ATOM 0 HZ1 LYS A 40 -18.991 19.590 -29.231 1.00 23.02 H new ATOM 0 HZ2 LYS A 40 -19.955 20.631 -28.298 1.00 23.02 H new ATOM 0 HZ3 LYS A 40 -18.618 19.855 -27.595 1.00 23.02 H new ATOM 690 N ASP A 41 -20.327 18.387 -23.509 1.00 72.34 N ATOM 691 CA ASP A 41 -20.959 17.235 -22.876 1.00 55.23 C ATOM 692 C ASP A 41 -20.537 17.118 -21.415 1.00 43.12 C ATOM 693 O ASP A 41 -20.816 16.117 -20.757 1.00 2.34 O ATOM 694 CB ASP A 41 -20.601 15.952 -23.628 1.00 52.31 C ATOM 695 CG ASP A 41 -21.741 15.451 -24.493 1.00 63.14 C ATOM 696 OD1 ASP A 41 -22.816 15.141 -23.938 1.00 41.42 O ATOM 697 OD2 ASP A 41 -21.558 15.369 -25.726 1.00 24.13 O ATOM 0 H ASP A 41 -19.435 18.184 -23.959 1.00 72.34 H new ATOM 0 HA ASP A 41 -22.039 17.379 -22.913 1.00 55.23 H new ATOM 0 HB2 ASP A 41 -19.727 16.133 -24.253 1.00 52.31 H new ATOM 0 HB3 ASP A 41 -20.326 15.179 -22.911 1.00 52.31 H new ATOM 702 N ASN A 42 -19.861 18.148 -20.916 1.00 30.23 N ATOM 703 CA ASN A 42 -19.398 18.160 -19.533 1.00 30.43 C ATOM 704 C ASN A 42 -20.496 17.681 -18.588 1.00 23.35 C ATOM 705 O ASN A 42 -21.680 17.723 -18.921 1.00 75.31 O ATOM 706 CB ASN A 42 -18.946 19.567 -19.136 1.00 71.43 C ATOM 707 CG ASN A 42 -19.877 20.642 -19.662 1.00 1.42 C ATOM 708 OD1 ASN A 42 -21.088 20.440 -19.756 1.00 24.43 O ATOM 709 ND2 ASN A 42 -19.314 21.794 -20.008 1.00 0.22 N ATOM 0 H ASN A 42 -19.622 18.985 -21.448 1.00 30.23 H new ATOM 0 HA ASN A 42 -18.551 17.478 -19.454 1.00 30.43 H new ATOM 0 HB2 ASN A 42 -18.893 19.636 -18.049 1.00 71.43 H new ATOM 0 HB3 ASN A 42 -17.940 19.743 -19.516 1.00 71.43 H new ATOM 0 HD21 ASN A 42 -19.890 22.555 -20.368 1.00 0.22 H new ATOM 0 HD22 ASN A 42 -18.306 21.918 -19.913 1.00 0.22 H new ATOM 716 N THR A 43 -20.094 17.226 -17.405 1.00 22.33 N ATOM 717 CA THR A 43 -21.042 16.738 -16.411 1.00 1.31 C ATOM 718 C THR A 43 -21.250 17.762 -15.301 1.00 5.13 C ATOM 719 O THR A 43 -20.331 18.501 -14.946 1.00 15.41 O ATOM 720 CB THR A 43 -20.570 15.411 -15.788 1.00 71.10 C ATOM 721 OG1 THR A 43 -19.188 15.192 -16.090 1.00 44.00 O ATOM 722 CG2 THR A 43 -21.399 14.245 -16.307 1.00 5.23 C ATOM 0 H THR A 43 -19.118 17.185 -17.112 1.00 22.33 H new ATOM 0 HA THR A 43 -21.986 16.571 -16.930 1.00 1.31 H new ATOM 0 HB THR A 43 -20.699 15.476 -14.708 1.00 71.10 H new ATOM 0 HG1 THR A 43 -19.113 14.578 -16.850 1.00 44.00 H new ATOM 0 HG21 THR A 43 -21.048 13.318 -15.853 1.00 5.23 H new ATOM 0 HG22 THR A 43 -22.447 14.400 -16.050 1.00 5.23 H new ATOM 0 HG23 THR A 43 -21.297 14.180 -17.390 1.00 5.23 H new ATOM 730 N TRP A 44 -22.460 17.799 -14.756 1.00 11.31 N ATOM 731 CA TRP A 44 -22.787 18.733 -13.684 1.00 53.13 C ATOM 732 C TRP A 44 -22.677 18.058 -12.322 1.00 3.34 C ATOM 733 O TRP A 44 -23.344 17.058 -12.059 1.00 11.40 O ATOM 734 CB TRP A 44 -24.199 19.290 -13.879 1.00 23.25 C ATOM 735 CG TRP A 44 -24.525 19.595 -15.309 1.00 51.41 C ATOM 736 CD1 TRP A 44 -24.382 20.796 -15.944 1.00 0.12 C ATOM 737 CD2 TRP A 44 -25.051 18.686 -16.281 1.00 71.53 C ATOM 738 NE1 TRP A 44 -24.787 20.687 -17.252 1.00 55.42 N ATOM 739 CE2 TRP A 44 -25.202 19.403 -17.484 1.00 65.54 C ATOM 740 CE3 TRP A 44 -25.408 17.335 -16.253 1.00 64.43 C ATOM 741 CZ2 TRP A 44 -25.694 18.813 -18.645 1.00 70.35 C ATOM 742 CZ3 TRP A 44 -25.897 16.751 -17.406 1.00 64.24 C ATOM 743 CH2 TRP A 44 -26.035 17.489 -18.589 1.00 75.35 C ATOM 0 H TRP A 44 -23.231 17.194 -15.038 1.00 11.31 H new ATOM 0 HA TRP A 44 -22.071 19.554 -13.720 1.00 53.13 H new ATOM 0 HB2 TRP A 44 -24.922 18.570 -13.495 1.00 23.25 H new ATOM 0 HB3 TRP A 44 -24.308 20.199 -13.287 1.00 23.25 H new ATOM 0 HD1 TRP A 44 -24.006 21.698 -15.485 1.00 0.12 H new ATOM 0 HE1 TRP A 44 -24.780 21.441 -17.939 1.00 55.42 H new ATOM 0 HE3 TRP A 44 -25.304 16.758 -15.346 1.00 64.43 H new ATOM 0 HZ2 TRP A 44 -25.803 19.380 -19.558 1.00 70.35 H new ATOM 0 HZ3 TRP A 44 -26.178 15.708 -17.395 1.00 64.24 H new ATOM 0 HH2 TRP A 44 -26.418 17.003 -19.474 1.00 75.35 H new ATOM 754 N GLU A 45 -21.830 18.612 -11.459 1.00 34.23 N ATOM 755 CA GLU A 45 -21.633 18.061 -10.123 1.00 14.21 C ATOM 756 C GLU A 45 -21.832 19.135 -9.057 1.00 51.11 C ATOM 757 O GLU A 45 -21.190 20.186 -9.090 1.00 31.55 O ATOM 758 CB GLU A 45 -20.234 17.456 -9.998 1.00 23.11 C ATOM 759 CG GLU A 45 -20.076 16.132 -10.727 1.00 2.13 C ATOM 760 CD GLU A 45 -20.107 14.942 -9.788 1.00 23.23 C ATOM 761 OE1 GLU A 45 -19.395 14.978 -8.762 1.00 62.51 O ATOM 762 OE2 GLU A 45 -20.842 13.975 -10.078 1.00 42.20 O ATOM 0 H GLU A 45 -21.270 19.440 -11.661 1.00 34.23 H new ATOM 0 HA GLU A 45 -22.375 17.278 -9.968 1.00 14.21 H new ATOM 0 HB2 GLU A 45 -19.504 18.165 -10.388 1.00 23.11 H new ATOM 0 HB3 GLU A 45 -20.003 17.310 -8.943 1.00 23.11 H new ATOM 0 HG2 GLU A 45 -20.873 16.030 -11.464 1.00 2.13 H new ATOM 0 HG3 GLU A 45 -19.134 16.133 -11.275 1.00 2.13 H new ATOM 769 N THR A 46 -22.727 18.864 -8.112 1.00 52.20 N ATOM 770 CA THR A 46 -23.013 19.806 -7.037 1.00 42.23 C ATOM 771 C THR A 46 -21.728 20.404 -6.474 1.00 75.22 C ATOM 772 O THR A 46 -20.672 19.775 -6.514 1.00 23.35 O ATOM 773 CB THR A 46 -23.797 19.134 -5.895 1.00 20.14 C ATOM 774 OG1 THR A 46 -23.594 17.717 -5.929 1.00 32.21 O ATOM 775 CG2 THR A 46 -25.283 19.442 -6.004 1.00 22.43 C ATOM 0 H THR A 46 -23.266 17.999 -8.069 1.00 52.20 H new ATOM 0 HA THR A 46 -23.623 20.601 -7.467 1.00 42.23 H new ATOM 0 HB THR A 46 -23.429 19.530 -4.949 1.00 20.14 H new ATOM 0 HG1 THR A 46 -24.095 17.297 -5.199 1.00 32.21 H new ATOM 0 HG21 THR A 46 -25.816 18.957 -5.187 1.00 22.43 H new ATOM 0 HG22 THR A 46 -25.436 20.520 -5.948 1.00 22.43 H new ATOM 0 HG23 THR A 46 -25.663 19.071 -6.956 1.00 22.43 H new ATOM 783 N GLU A 47 -21.828 21.621 -5.950 1.00 42.51 N ATOM 784 CA GLU A 47 -20.672 22.303 -5.379 1.00 12.12 C ATOM 785 C GLU A 47 -20.070 21.489 -4.237 1.00 11.31 C ATOM 786 O GLU A 47 -18.896 21.645 -3.901 1.00 40.22 O ATOM 787 CB GLU A 47 -21.069 23.693 -4.876 1.00 31.54 C ATOM 788 CG GLU A 47 -20.065 24.300 -3.910 1.00 34.42 C ATOM 789 CD GLU A 47 -20.443 25.705 -3.482 1.00 74.43 C ATOM 790 OE1 GLU A 47 -21.464 25.857 -2.779 1.00 4.12 O ATOM 791 OE2 GLU A 47 -19.718 26.652 -3.852 1.00 22.33 O ATOM 0 H GLU A 47 -22.696 22.155 -5.909 1.00 42.51 H new ATOM 0 HA GLU A 47 -19.921 22.409 -6.162 1.00 12.12 H new ATOM 0 HB2 GLU A 47 -21.187 24.359 -5.730 1.00 31.54 H new ATOM 0 HB3 GLU A 47 -22.040 23.629 -4.385 1.00 31.54 H new ATOM 0 HG2 GLU A 47 -19.985 23.665 -3.028 1.00 34.42 H new ATOM 0 HG3 GLU A 47 -19.081 24.319 -4.379 1.00 34.42 H new ATOM 798 N ASP A 48 -20.883 20.622 -3.644 1.00 61.21 N ATOM 799 CA ASP A 48 -20.432 19.783 -2.540 1.00 63.42 C ATOM 800 C ASP A 48 -20.012 18.404 -3.042 1.00 2.44 C ATOM 801 O ASP A 48 -19.593 17.550 -2.261 1.00 32.34 O ATOM 802 CB ASP A 48 -21.537 19.643 -1.493 1.00 33.23 C ATOM 803 CG ASP A 48 -21.348 20.587 -0.322 1.00 13.12 C ATOM 804 OD1 ASP A 48 -20.675 21.624 -0.498 1.00 41.22 O ATOM 805 OD2 ASP A 48 -21.874 20.289 0.771 1.00 54.52 O ATOM 0 H ASP A 48 -21.858 20.482 -3.909 1.00 61.21 H new ATOM 0 HA ASP A 48 -19.567 20.262 -2.082 1.00 63.42 H new ATOM 0 HB2 ASP A 48 -22.503 19.837 -1.960 1.00 33.23 H new ATOM 0 HB3 ASP A 48 -21.560 18.616 -1.128 1.00 33.23 H new ATOM 810 N ASP A 49 -20.128 18.196 -4.348 1.00 64.54 N ATOM 811 CA ASP A 49 -19.760 16.921 -4.954 1.00 51.15 C ATOM 812 C ASP A 49 -18.686 17.116 -6.020 1.00 71.22 C ATOM 813 O ASP A 49 -18.148 16.147 -6.557 1.00 50.02 O ATOM 814 CB ASP A 49 -20.990 16.251 -5.569 1.00 20.44 C ATOM 815 CG ASP A 49 -20.883 14.738 -5.573 1.00 52.33 C ATOM 816 OD1 ASP A 49 -19.787 14.222 -5.876 1.00 13.31 O ATOM 817 OD2 ASP A 49 -21.896 14.071 -5.275 1.00 60.23 O ATOM 0 H ASP A 49 -20.474 18.893 -5.008 1.00 64.54 H new ATOM 0 HA ASP A 49 -19.358 16.277 -4.172 1.00 51.15 H new ATOM 0 HB2 ASP A 49 -21.879 16.548 -5.012 1.00 20.44 H new ATOM 0 HB3 ASP A 49 -21.121 16.606 -6.591 1.00 20.44 H new ATOM 822 N ILE A 50 -18.380 18.373 -6.322 1.00 13.12 N ATOM 823 CA ILE A 50 -17.371 18.694 -7.323 1.00 40.22 C ATOM 824 C ILE A 50 -16.032 19.018 -6.670 1.00 1.53 C ATOM 825 O ILE A 50 -14.972 18.709 -7.215 1.00 74.00 O ATOM 826 CB ILE A 50 -17.805 19.885 -8.198 1.00 5.42 C ATOM 827 CG1 ILE A 50 -16.792 20.116 -9.321 1.00 40.54 C ATOM 828 CG2 ILE A 50 -17.956 21.138 -7.348 1.00 55.44 C ATOM 829 CD1 ILE A 50 -17.304 19.717 -10.688 1.00 22.14 C ATOM 0 H ILE A 50 -18.817 19.186 -5.887 1.00 13.12 H new ATOM 0 HA ILE A 50 -17.260 17.812 -7.954 1.00 40.22 H new ATOM 0 HB ILE A 50 -18.771 19.655 -8.647 1.00 5.42 H new ATOM 0 HG12 ILE A 50 -16.516 21.170 -9.339 1.00 40.54 H new ATOM 0 HG13 ILE A 50 -15.885 19.552 -9.103 1.00 40.54 H new ATOM 0 HG21 ILE A 50 -18.263 21.971 -7.980 1.00 55.44 H new ATOM 0 HG22 ILE A 50 -18.710 20.968 -6.580 1.00 55.44 H new ATOM 0 HG23 ILE A 50 -17.003 21.374 -6.875 1.00 55.44 H new ATOM 0 HD11 ILE A 50 -16.534 19.908 -11.435 1.00 22.14 H new ATOM 0 HD12 ILE A 50 -17.554 18.656 -10.688 1.00 22.14 H new ATOM 0 HD13 ILE A 50 -18.194 20.299 -10.927 1.00 22.14 H new ATOM 841 N ARG A 51 -16.087 19.642 -5.497 1.00 55.14 N ATOM 842 CA ARG A 51 -14.879 20.008 -4.769 1.00 21.14 C ATOM 843 C ARG A 51 -14.307 18.804 -4.025 1.00 15.53 C ATOM 844 O ARG A 51 -13.145 18.806 -3.619 1.00 65.44 O ATOM 845 CB ARG A 51 -15.176 21.138 -3.781 1.00 23.31 C ATOM 846 CG ARG A 51 -15.260 20.676 -2.335 1.00 51.31 C ATOM 847 CD ARG A 51 -16.497 19.825 -2.093 1.00 40.33 C ATOM 848 NE ARG A 51 -17.266 20.292 -0.942 1.00 62.45 N ATOM 849 CZ ARG A 51 -16.974 19.974 0.314 1.00 42.01 C ATOM 850 NH1 ARG A 51 -15.935 19.194 0.580 1.00 73.23 N ATOM 851 NH2 ARG A 51 -17.721 20.438 1.308 1.00 60.35 N ATOM 0 H ARG A 51 -16.956 19.904 -5.031 1.00 55.14 H new ATOM 0 HA ARG A 51 -14.139 20.352 -5.492 1.00 21.14 H new ATOM 0 HB2 ARG A 51 -14.399 21.898 -3.866 1.00 23.31 H new ATOM 0 HB3 ARG A 51 -16.117 21.613 -4.057 1.00 23.31 H new ATOM 0 HG2 ARG A 51 -14.368 20.103 -2.083 1.00 51.31 H new ATOM 0 HG3 ARG A 51 -15.279 21.543 -1.675 1.00 51.31 H new ATOM 0 HD2 ARG A 51 -17.128 19.842 -2.982 1.00 40.33 H new ATOM 0 HD3 ARG A 51 -16.199 18.789 -1.933 1.00 40.33 H new ATOM 0 HE ARG A 51 -18.071 20.895 -1.112 1.00 62.45 H new ATOM 0 HH11 ARG A 51 -15.358 18.837 -0.181 1.00 73.23 H new ATOM 0 HH12 ARG A 51 -15.713 18.952 1.546 1.00 73.23 H new ATOM 0 HH21 ARG A 51 -18.520 21.039 1.108 1.00 60.35 H new ATOM 0 HH22 ARG A 51 -17.496 20.193 2.272 1.00 60.35 H new ATOM 865 N THR A 52 -15.133 17.778 -3.848 1.00 34.24 N ATOM 866 CA THR A 52 -14.712 16.569 -3.151 1.00 64.13 C ATOM 867 C THR A 52 -14.074 15.574 -4.114 1.00 72.22 C ATOM 868 O THR A 52 -13.179 14.816 -3.739 1.00 14.25 O ATOM 869 CB THR A 52 -15.896 15.889 -2.438 1.00 42.31 C ATOM 870 OG1 THR A 52 -15.438 14.743 -1.712 1.00 41.20 O ATOM 871 CG2 THR A 52 -16.962 15.469 -3.439 1.00 4.40 C ATOM 0 H THR A 52 -16.098 17.760 -4.178 1.00 34.24 H new ATOM 0 HA THR A 52 -13.977 16.874 -2.406 1.00 64.13 H new ATOM 0 HB THR A 52 -16.334 16.607 -1.744 1.00 42.31 H new ATOM 0 HG1 THR A 52 -16.196 14.317 -1.260 1.00 41.20 H new ATOM 0 HG21 THR A 52 -17.788 14.991 -2.912 1.00 4.40 H new ATOM 0 HG22 THR A 52 -17.330 16.348 -3.969 1.00 4.40 H new ATOM 0 HG23 THR A 52 -16.533 14.767 -4.154 1.00 4.40 H new ATOM 879 N LYS A 53 -14.540 15.581 -5.359 1.00 23.43 N ATOM 880 CA LYS A 53 -14.014 14.680 -6.378 1.00 31.13 C ATOM 881 C LYS A 53 -13.052 15.413 -7.308 1.00 34.43 C ATOM 882 O LYS A 53 -12.083 14.832 -7.796 1.00 62.03 O ATOM 883 CB LYS A 53 -15.160 14.070 -7.189 1.00 3.22 C ATOM 884 CG LYS A 53 -16.329 13.607 -6.337 1.00 0.40 C ATOM 885 CD LYS A 53 -15.887 12.615 -5.275 1.00 4.25 C ATOM 886 CE LYS A 53 -17.078 11.976 -4.579 1.00 33.44 C ATOM 887 NZ LYS A 53 -16.892 10.510 -4.394 1.00 62.32 N ATOM 0 H LYS A 53 -15.281 16.201 -5.686 1.00 23.43 H new ATOM 0 HA LYS A 53 -13.468 13.882 -5.875 1.00 31.13 H new ATOM 0 HB2 LYS A 53 -15.516 14.806 -7.910 1.00 3.22 H new ATOM 0 HB3 LYS A 53 -14.779 13.223 -7.760 1.00 3.22 H new ATOM 0 HG2 LYS A 53 -16.796 14.468 -5.860 1.00 0.40 H new ATOM 0 HG3 LYS A 53 -17.085 13.147 -6.974 1.00 0.40 H new ATOM 0 HD2 LYS A 53 -15.273 11.840 -5.733 1.00 4.25 H new ATOM 0 HD3 LYS A 53 -15.263 13.122 -4.539 1.00 4.25 H new ATOM 0 HE2 LYS A 53 -17.228 12.448 -3.608 1.00 33.44 H new ATOM 0 HE3 LYS A 53 -17.980 12.157 -5.164 1.00 33.44 H new ATOM 0 HZ1 LYS A 53 -17.726 10.112 -3.916 1.00 62.32 H new ATOM 0 HZ2 LYS A 53 -16.775 10.055 -5.322 1.00 62.32 H new ATOM 0 HZ3 LYS A 53 -16.046 10.338 -3.815 1.00 62.32 H new ATOM 901 N TYR A 54 -13.326 16.690 -7.547 1.00 52.10 N ATOM 902 CA TYR A 54 -12.486 17.502 -8.419 1.00 64.42 C ATOM 903 C TYR A 54 -12.013 18.763 -7.702 1.00 34.52 C ATOM 904 O TYR A 54 -11.817 19.807 -8.322 1.00 31.22 O ATOM 905 CB TYR A 54 -13.248 17.880 -9.690 1.00 73.20 C ATOM 906 CG TYR A 54 -14.053 16.741 -10.275 1.00 2.01 C ATOM 907 CD1 TYR A 54 -13.424 15.651 -10.863 1.00 63.41 C ATOM 908 CD2 TYR A 54 -15.442 16.756 -10.240 1.00 64.24 C ATOM 909 CE1 TYR A 54 -14.154 14.608 -11.399 1.00 54.04 C ATOM 910 CE2 TYR A 54 -16.180 15.717 -10.773 1.00 14.11 C ATOM 911 CZ TYR A 54 -15.532 14.646 -11.351 1.00 74.35 C ATOM 912 OH TYR A 54 -16.265 13.610 -11.884 1.00 62.33 O ATOM 0 H TYR A 54 -14.124 17.186 -7.149 1.00 52.10 H new ATOM 0 HA TYR A 54 -11.611 16.911 -8.690 1.00 64.42 H new ATOM 0 HB2 TYR A 54 -13.918 18.711 -9.468 1.00 73.20 H new ATOM 0 HB3 TYR A 54 -12.538 18.234 -10.438 1.00 73.20 H new ATOM 0 HD1 TYR A 54 -12.345 15.618 -10.902 1.00 63.41 H new ATOM 0 HD2 TYR A 54 -15.953 17.594 -9.789 1.00 64.24 H new ATOM 0 HE1 TYR A 54 -13.649 13.768 -11.853 1.00 54.04 H new ATOM 0 HE2 TYR A 54 -17.259 15.743 -10.737 1.00 14.11 H new ATOM 0 HH TYR A 54 -17.221 13.792 -11.767 1.00 62.33 H new ATOM 922 N GLY A 55 -11.832 18.656 -6.389 1.00 33.12 N ATOM 923 CA GLY A 55 -11.384 19.793 -5.607 1.00 51.50 C ATOM 924 C GLY A 55 -10.127 20.425 -6.171 1.00 51.50 C ATOM 925 O GLY A 55 -9.825 21.585 -5.886 1.00 75.33 O ATOM 0 H GLY A 55 -11.988 17.802 -5.853 1.00 33.12 H new ATOM 0 HA2 GLY A 55 -12.177 20.540 -5.570 1.00 51.50 H new ATOM 0 HA3 GLY A 55 -11.198 19.474 -4.581 1.00 51.50 H new ATOM 929 N ASP A 56 -9.391 19.662 -6.971 1.00 52.35 N ATOM 930 CA ASP A 56 -8.159 20.154 -7.577 1.00 1.35 C ATOM 931 C ASP A 56 -8.435 21.362 -8.467 1.00 71.42 C ATOM 932 O ASP A 56 -7.823 22.418 -8.307 1.00 5.12 O ATOM 933 CB ASP A 56 -7.488 19.047 -8.391 1.00 1.03 C ATOM 934 CG ASP A 56 -6.027 18.866 -8.028 1.00 50.02 C ATOM 935 OD1 ASP A 56 -5.713 18.849 -6.819 1.00 70.34 O ATOM 936 OD2 ASP A 56 -5.198 18.741 -8.953 1.00 62.33 O ATOM 0 H ASP A 56 -9.626 18.700 -7.215 1.00 52.35 H new ATOM 0 HA ASP A 56 -7.487 20.462 -6.776 1.00 1.35 H new ATOM 0 HB2 ASP A 56 -8.019 18.109 -8.229 1.00 1.03 H new ATOM 0 HB3 ASP A 56 -7.569 19.280 -9.453 1.00 1.03 H new ATOM 941 N LEU A 57 -9.360 21.198 -9.407 1.00 21.23 N ATOM 942 CA LEU A 57 -9.717 22.274 -10.325 1.00 31.04 C ATOM 943 C LEU A 57 -10.731 23.219 -9.688 1.00 31.23 C ATOM 944 O LEU A 57 -10.740 24.417 -9.968 1.00 51.50 O ATOM 945 CB LEU A 57 -10.286 21.697 -11.622 1.00 64.40 C ATOM 946 CG LEU A 57 -11.029 20.366 -11.496 1.00 1.43 C ATOM 947 CD1 LEU A 57 -12.183 20.304 -12.484 1.00 14.03 C ATOM 948 CD2 LEU A 57 -10.076 19.200 -11.712 1.00 43.12 C ATOM 0 H LEU A 57 -9.876 20.330 -9.553 1.00 21.23 H new ATOM 0 HA LEU A 57 -8.813 22.839 -10.552 1.00 31.04 H new ATOM 0 HB2 LEU A 57 -10.967 22.430 -12.055 1.00 64.40 H new ATOM 0 HB3 LEU A 57 -9.466 21.567 -12.329 1.00 64.40 H new ATOM 0 HG LEU A 57 -11.436 20.293 -10.488 1.00 1.43 H new ATOM 0 HD11 LEU A 57 -12.700 19.350 -12.380 1.00 14.03 H new ATOM 0 HD12 LEU A 57 -12.879 21.118 -12.282 1.00 14.03 H new ATOM 0 HD13 LEU A 57 -11.798 20.399 -13.499 1.00 14.03 H new ATOM 0 HD21 LEU A 57 -10.622 18.261 -11.619 1.00 43.12 H new ATOM 0 HD22 LEU A 57 -9.638 19.268 -12.708 1.00 43.12 H new ATOM 0 HD23 LEU A 57 -9.284 19.234 -10.964 1.00 43.12 H new ATOM 960 N VAL A 58 -11.584 22.671 -8.827 1.00 45.01 N ATOM 961 CA VAL A 58 -12.600 23.465 -8.147 1.00 42.23 C ATOM 962 C VAL A 58 -11.977 24.660 -7.435 1.00 13.55 C ATOM 963 O VAL A 58 -12.513 25.768 -7.475 1.00 45.44 O ATOM 964 CB VAL A 58 -13.380 22.620 -7.123 1.00 53.11 C ATOM 965 CG1 VAL A 58 -14.360 23.489 -6.350 1.00 13.03 C ATOM 966 CG2 VAL A 58 -14.103 21.476 -7.817 1.00 62.45 C ATOM 0 H VAL A 58 -11.591 21.680 -8.584 1.00 45.01 H new ATOM 0 HA VAL A 58 -13.289 23.821 -8.913 1.00 42.23 H new ATOM 0 HB VAL A 58 -12.670 22.194 -6.414 1.00 53.11 H new ATOM 0 HG11 VAL A 58 -14.902 22.875 -5.631 1.00 13.03 H new ATOM 0 HG12 VAL A 58 -13.814 24.271 -5.821 1.00 13.03 H new ATOM 0 HG13 VAL A 58 -15.067 23.945 -7.043 1.00 13.03 H new ATOM 0 HG21 VAL A 58 -14.649 20.889 -7.078 1.00 62.45 H new ATOM 0 HG22 VAL A 58 -14.802 21.879 -8.550 1.00 62.45 H new ATOM 0 HG23 VAL A 58 -13.376 20.839 -8.321 1.00 62.45 H new ATOM 976 N ASP A 59 -10.844 24.428 -6.782 1.00 44.42 N ATOM 977 CA ASP A 59 -10.146 25.487 -6.061 1.00 32.31 C ATOM 978 C ASP A 59 -9.335 26.354 -7.019 1.00 32.13 C ATOM 979 O ASP A 59 -8.634 27.274 -6.597 1.00 34.12 O ATOM 980 CB ASP A 59 -9.228 24.887 -4.995 1.00 11.04 C ATOM 981 CG ASP A 59 -9.945 24.651 -3.680 1.00 2.34 C ATOM 982 OD1 ASP A 59 -11.148 24.321 -3.711 1.00 75.14 O ATOM 983 OD2 ASP A 59 -9.302 24.798 -2.619 1.00 13.24 O ATOM 0 H ASP A 59 -10.389 23.516 -6.737 1.00 44.42 H new ATOM 0 HA ASP A 59 -10.893 26.115 -5.575 1.00 32.31 H new ATOM 0 HB2 ASP A 59 -8.822 23.943 -5.359 1.00 11.04 H new ATOM 0 HB3 ASP A 59 -8.383 25.555 -4.830 1.00 11.04 H new ATOM 988 N ASP A 60 -9.435 26.054 -8.309 1.00 21.41 N ATOM 989 CA ASP A 60 -8.711 26.806 -9.327 1.00 63.51 C ATOM 990 C ASP A 60 -9.669 27.643 -10.169 1.00 21.34 C ATOM 991 O ASP A 60 -9.255 28.580 -10.852 1.00 32.32 O ATOM 992 CB ASP A 60 -7.919 25.855 -10.227 1.00 12.21 C ATOM 993 CG ASP A 60 -6.438 25.853 -9.905 1.00 63.31 C ATOM 994 OD1 ASP A 60 -5.763 26.857 -10.212 1.00 44.14 O ATOM 995 OD2 ASP A 60 -5.953 24.846 -9.347 1.00 31.12 O ATOM 0 H ASP A 60 -10.010 25.295 -8.675 1.00 21.41 H new ATOM 0 HA ASP A 60 -8.018 27.478 -8.822 1.00 63.51 H new ATOM 0 HB2 ASP A 60 -8.313 24.844 -10.119 1.00 12.21 H new ATOM 0 HB3 ASP A 60 -8.061 26.142 -11.269 1.00 12.21 H new ATOM 1000 N PHE A 61 -10.951 27.298 -10.115 1.00 71.32 N ATOM 1001 CA PHE A 61 -11.968 28.016 -10.874 1.00 74.01 C ATOM 1002 C PHE A 61 -12.733 28.985 -9.977 1.00 33.30 C ATOM 1003 O PHE A 61 -12.628 30.201 -10.128 1.00 45.21 O ATOM 1004 CB PHE A 61 -12.941 27.030 -11.525 1.00 24.22 C ATOM 1005 CG PHE A 61 -14.108 27.694 -12.197 1.00 41.20 C ATOM 1006 CD1 PHE A 61 -13.989 28.198 -13.482 1.00 52.23 C ATOM 1007 CD2 PHE A 61 -15.324 27.814 -11.544 1.00 50.30 C ATOM 1008 CE1 PHE A 61 -15.062 28.811 -14.103 1.00 24.33 C ATOM 1009 CE2 PHE A 61 -16.400 28.426 -12.160 1.00 32.54 C ATOM 1010 CZ PHE A 61 -16.269 28.923 -13.441 1.00 41.41 C ATOM 0 H PHE A 61 -11.310 26.526 -9.554 1.00 71.32 H new ATOM 0 HA PHE A 61 -11.466 28.589 -11.654 1.00 74.01 H new ATOM 0 HB2 PHE A 61 -12.402 26.431 -12.259 1.00 24.22 H new ATOM 0 HB3 PHE A 61 -13.313 26.343 -10.765 1.00 24.22 H new ATOM 0 HD1 PHE A 61 -13.048 28.111 -14.005 1.00 52.23 H new ATOM 0 HD2 PHE A 61 -15.433 27.425 -10.542 1.00 50.30 H new ATOM 0 HE1 PHE A 61 -14.956 29.202 -15.104 1.00 24.33 H new ATOM 0 HE2 PHE A 61 -17.342 28.515 -11.639 1.00 32.54 H new ATOM 0 HZ PHE A 61 -17.109 29.399 -13.925 1.00 41.41 H new ATOM 1020 N GLU A 62 -13.504 28.435 -9.044 1.00 22.34 N ATOM 1021 CA GLU A 62 -14.288 29.250 -8.123 1.00 44.12 C ATOM 1022 C GLU A 62 -13.397 30.242 -7.382 1.00 3.45 C ATOM 1023 O GLU A 62 -13.785 31.386 -7.143 1.00 52.25 O ATOM 1024 CB GLU A 62 -15.025 28.361 -7.120 1.00 25.43 C ATOM 1025 CG GLU A 62 -14.143 27.860 -5.988 1.00 21.00 C ATOM 1026 CD GLU A 62 -14.688 26.604 -5.336 1.00 3.01 C ATOM 1027 OE1 GLU A 62 -15.773 26.144 -5.747 1.00 53.33 O ATOM 1028 OE2 GLU A 62 -14.027 26.081 -4.414 1.00 33.21 O ATOM 0 H GLU A 62 -13.602 27.429 -8.906 1.00 22.34 H new ATOM 0 HA GLU A 62 -15.019 29.810 -8.706 1.00 44.12 H new ATOM 0 HB2 GLU A 62 -15.861 28.919 -6.698 1.00 25.43 H new ATOM 0 HB3 GLU A 62 -15.447 27.505 -7.647 1.00 25.43 H new ATOM 0 HG2 GLU A 62 -13.143 27.660 -6.373 1.00 21.00 H new ATOM 0 HG3 GLU A 62 -14.045 28.642 -5.235 1.00 21.00 H new ATOM 1035 N LYS A 63 -12.199 29.796 -7.018 1.00 11.10 N ATOM 1036 CA LYS A 63 -11.251 30.643 -6.304 1.00 21.21 C ATOM 1037 C LYS A 63 -10.833 31.834 -7.160 1.00 51.02 C ATOM 1038 O LYS A 63 -10.279 32.809 -6.655 1.00 41.20 O ATOM 1039 CB LYS A 63 -10.016 29.833 -5.900 1.00 54.43 C ATOM 1040 CG LYS A 63 -10.297 28.784 -4.839 1.00 75.21 C ATOM 1041 CD LYS A 63 -10.903 29.402 -3.590 1.00 71.11 C ATOM 1042 CE LYS A 63 -10.256 28.854 -2.327 1.00 52.12 C ATOM 1043 NZ LYS A 63 -11.266 28.538 -1.279 1.00 42.30 N ATOM 0 H LYS A 63 -11.862 28.852 -7.206 1.00 11.10 H new ATOM 0 HA LYS A 63 -11.742 31.018 -5.406 1.00 21.21 H new ATOM 0 HB2 LYS A 63 -9.608 29.343 -6.784 1.00 54.43 H new ATOM 0 HB3 LYS A 63 -9.250 30.515 -5.531 1.00 54.43 H new ATOM 0 HG2 LYS A 63 -10.977 28.032 -5.240 1.00 75.21 H new ATOM 0 HG3 LYS A 63 -9.371 28.271 -4.579 1.00 75.21 H new ATOM 0 HD2 LYS A 63 -10.781 30.485 -3.622 1.00 71.11 H new ATOM 0 HD3 LYS A 63 -11.974 29.203 -3.567 1.00 71.11 H new ATOM 0 HE2 LYS A 63 -9.691 27.954 -2.570 1.00 52.12 H new ATOM 0 HE3 LYS A 63 -9.545 29.582 -1.938 1.00 52.12 H new ATOM 0 HZ1 LYS A 63 -10.786 28.167 -0.434 1.00 42.30 H new ATOM 0 HZ2 LYS A 63 -11.789 29.402 -1.029 1.00 42.30 H new ATOM 0 HZ3 LYS A 63 -11.930 27.824 -1.641 1.00 42.30 H new ATOM 1057 N ASN A 64 -11.104 31.748 -8.458 1.00 73.14 N ATOM 1058 CA ASN A 64 -10.757 32.820 -9.385 1.00 32.25 C ATOM 1059 C ASN A 64 -11.952 33.736 -9.629 1.00 34.11 C ATOM 1060 O ASN A 64 -11.795 34.944 -9.805 1.00 64.40 O ATOM 1061 CB ASN A 64 -10.267 32.237 -10.712 1.00 35.34 C ATOM 1062 CG ASN A 64 -8.865 31.668 -10.611 1.00 12.20 C ATOM 1063 OD1 ASN A 64 -8.015 31.929 -11.463 1.00 33.43 O ATOM 1064 ND2 ASN A 64 -8.617 30.887 -9.566 1.00 72.13 N ATOM 0 H ASN A 64 -11.563 30.947 -8.892 1.00 73.14 H new ATOM 0 HA ASN A 64 -9.956 33.409 -8.937 1.00 32.25 H new ATOM 0 HB2 ASN A 64 -10.952 31.453 -11.036 1.00 35.34 H new ATOM 0 HB3 ASN A 64 -10.287 33.014 -11.476 1.00 35.34 H new ATOM 0 HD21 ASN A 64 -7.691 30.476 -9.445 1.00 72.13 H new ATOM 0 HD22 ASN A 64 -9.352 30.698 -8.885 1.00 72.13 H new ATOM 1071 N GLN A 65 -13.146 33.152 -9.637 1.00 54.34 N ATOM 1072 CA GLN A 65 -14.368 33.916 -9.860 1.00 51.42 C ATOM 1073 C GLN A 65 -14.851 34.561 -8.565 1.00 20.21 C ATOM 1074 O GLN A 65 -15.624 35.519 -8.586 1.00 22.01 O ATOM 1075 CB GLN A 65 -15.462 33.014 -10.433 1.00 60.33 C ATOM 1076 CG GLN A 65 -14.971 32.087 -11.534 1.00 54.21 C ATOM 1077 CD GLN A 65 -14.183 32.818 -12.603 1.00 70.44 C ATOM 1078 OE1 GLN A 65 -14.705 33.705 -13.279 1.00 32.12 O ATOM 1079 NE2 GLN A 65 -12.918 32.448 -12.763 1.00 23.42 N ATOM 0 H GLN A 65 -13.293 32.153 -9.492 1.00 54.34 H new ATOM 0 HA GLN A 65 -14.146 34.706 -10.577 1.00 51.42 H new ATOM 0 HB2 GLN A 65 -15.886 32.415 -9.627 1.00 60.33 H new ATOM 0 HB3 GLN A 65 -16.266 33.636 -10.825 1.00 60.33 H new ATOM 0 HG2 GLN A 65 -14.347 31.308 -11.096 1.00 54.21 H new ATOM 0 HG3 GLN A 65 -15.825 31.590 -11.994 1.00 54.21 H new ATOM 0 HE21 GLN A 65 -12.526 31.708 -12.181 1.00 23.42 H new ATOM 0 HE22 GLN A 65 -12.339 32.904 -13.468 1.00 23.42 H new ATOM 1088 N LYS A 66 -14.391 34.029 -7.438 1.00 21.52 N ATOM 1089 CA LYS A 66 -14.774 34.551 -6.132 1.00 14.32 C ATOM 1090 C LYS A 66 -14.455 36.039 -6.026 1.00 53.23 C ATOM 1091 O LYS A 66 -15.040 36.754 -5.212 1.00 40.10 O ATOM 1092 CB LYS A 66 -14.054 33.784 -5.021 1.00 4.42 C ATOM 1093 CG LYS A 66 -14.755 32.500 -4.615 1.00 31.23 C ATOM 1094 CD LYS A 66 -13.802 31.538 -3.924 1.00 53.43 C ATOM 1095 CE LYS A 66 -14.427 30.934 -2.676 1.00 54.41 C ATOM 1096 NZ LYS A 66 -14.440 31.898 -1.541 1.00 32.45 N ATOM 0 H LYS A 66 -13.751 33.235 -7.403 1.00 21.52 H new ATOM 0 HA LYS A 66 -15.850 34.419 -6.017 1.00 14.32 H new ATOM 0 HB2 LYS A 66 -13.043 33.547 -5.351 1.00 4.42 H new ATOM 0 HB3 LYS A 66 -13.961 34.429 -4.147 1.00 4.42 H new ATOM 0 HG2 LYS A 66 -15.585 32.733 -3.948 1.00 31.23 H new ATOM 0 HG3 LYS A 66 -15.180 32.022 -5.498 1.00 31.23 H new ATOM 0 HD2 LYS A 66 -13.523 30.742 -4.614 1.00 53.43 H new ATOM 0 HD3 LYS A 66 -12.885 32.063 -3.655 1.00 53.43 H new ATOM 0 HE2 LYS A 66 -15.447 30.619 -2.897 1.00 54.41 H new ATOM 0 HE3 LYS A 66 -13.873 30.041 -2.388 1.00 54.41 H new ATOM 0 HZ1 LYS A 66 -14.874 31.449 -0.709 1.00 32.45 H new ATOM 0 HZ2 LYS A 66 -13.465 32.180 -1.314 1.00 32.45 H new ATOM 0 HZ3 LYS A 66 -14.990 32.739 -1.807 1.00 32.45 H new ATOM 1110 N LYS A 67 -13.525 36.500 -6.856 1.00 14.53 N ATOM 1111 CA LYS A 67 -13.130 37.904 -6.858 1.00 71.14 C ATOM 1112 C LYS A 67 -12.596 38.321 -5.492 1.00 1.30 C ATOM 1113 O LYS A 67 -11.728 37.657 -4.924 1.00 54.04 O ATOM 1114 CB LYS A 67 -14.317 38.789 -7.246 1.00 31.32 C ATOM 1115 CG LYS A 67 -13.979 39.836 -8.292 1.00 41.34 C ATOM 1116 CD LYS A 67 -14.023 41.240 -7.711 1.00 64.42 C ATOM 1117 CE LYS A 67 -13.744 42.292 -8.774 1.00 24.34 C ATOM 1118 NZ LYS A 67 -12.680 43.243 -8.346 1.00 73.24 N ATOM 0 H LYS A 67 -13.031 35.922 -7.536 1.00 14.53 H new ATOM 0 HA LYS A 67 -12.335 38.031 -7.593 1.00 71.14 H new ATOM 0 HB2 LYS A 67 -15.122 38.158 -7.623 1.00 31.32 H new ATOM 0 HB3 LYS A 67 -14.694 39.288 -6.353 1.00 31.32 H new ATOM 0 HG2 LYS A 67 -12.986 39.640 -8.697 1.00 41.34 H new ATOM 0 HG3 LYS A 67 -14.682 39.763 -9.122 1.00 41.34 H new ATOM 0 HD2 LYS A 67 -15.002 41.421 -7.267 1.00 64.42 H new ATOM 0 HD3 LYS A 67 -13.289 41.327 -6.910 1.00 64.42 H new ATOM 0 HE2 LYS A 67 -13.442 41.802 -9.700 1.00 24.34 H new ATOM 0 HE3 LYS A 67 -14.659 42.843 -8.989 1.00 24.34 H new ATOM 0 HZ1 LYS A 67 -12.519 43.944 -9.097 1.00 73.24 H new ATOM 0 HZ2 LYS A 67 -12.978 43.729 -7.476 1.00 73.24 H new ATOM 0 HZ3 LYS A 67 -11.799 42.720 -8.166 1.00 73.24 H new TER 1132 LYS A 67