USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 751 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 41 CYS SG : rot 180:sc= 0.149 USER MOD Set 1.2: A 84 LYS NZ :NH3+ -169:sc= -0.436 (180deg=-0.571) USER MOD Set 2.1: A 4 LYS NZ :NH3+ -167:sc= 0.843 (180deg=0) USER MOD Set 2.2: A 67 THR OG1 : rot -102:sc= -0.771 USER MOD Single : A 7 LYS NZ :NH3+ 148:sc= 0.573 (180deg=0.154) USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.65 USER MOD Single : A 12 LYS NZ :NH3+ 149:sc= 0.49 (180deg=0.181) USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= -0.312 (180deg=-0.796) USER MOD Single : A 17 SER OG : rot 76:sc= 1.08 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= -0.503 (180deg=-0.709) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 149:sc= -4.68! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -0.0227 (180deg=-0.251) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 130:sc= 0.58 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 30:sc= -5.47! USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= 0.0702 (180deg=0.0503) USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= -0.011 (180deg=-0.386) USER MOD Single : A 74 CYS SG : rot 66:sc= -1.21 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HE2:sc= -4.67! C(o=-4.7!,f=-15!) USER MOD Single : A 86 TYR OH : rot -177:sc= 0.757 USER MOD Single : A 87 ASN : amide:sc= -1.92! C(o=-1.9!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 5.257 -11.868 -4.442 1.00 0.62 N ATOM 21 CA GLU A 2 3.816 -11.888 -4.662 1.00 0.43 C ATOM 22 C GLU A 2 3.225 -10.487 -4.550 1.00 0.39 C ATOM 23 O GLU A 2 2.291 -10.256 -3.781 1.00 0.56 O ATOM 24 CB GLU A 2 3.140 -12.818 -3.652 1.00 0.96 C ATOM 25 CG GLU A 2 2.940 -14.233 -4.167 1.00 1.73 C ATOM 26 CD GLU A 2 2.762 -15.241 -3.048 1.00 2.34 C ATOM 27 OE1 GLU A 2 2.893 -14.848 -1.870 1.00 2.92 O ATOM 28 OE2 GLU A 2 2.493 -16.423 -3.351 1.00 2.59 O ATOM 0 HA GLU A 2 3.635 -12.259 -5.671 1.00 0.43 H new ATOM 0 HB2 GLU A 2 3.741 -12.853 -2.744 1.00 0.96 H new ATOM 0 HB3 GLU A 2 2.172 -12.400 -3.377 1.00 0.96 H new ATOM 0 HG2 GLU A 2 2.065 -14.259 -4.817 1.00 1.73 H new ATOM 0 HG3 GLU A 2 3.798 -14.519 -4.776 1.00 1.73 H new ATOM 35 N VAL A 3 3.771 -9.554 -5.323 1.00 0.37 N ATOM 36 CA VAL A 3 3.291 -8.175 -5.311 1.00 0.36 C ATOM 37 C VAL A 3 2.430 -7.889 -6.535 1.00 0.34 C ATOM 38 O VAL A 3 2.928 -7.854 -7.661 1.00 0.49 O ATOM 39 CB VAL A 3 4.455 -7.162 -5.268 1.00 0.46 C ATOM 40 CG1 VAL A 3 3.979 -5.826 -4.723 1.00 0.47 C ATOM 41 CG2 VAL A 3 5.614 -7.699 -4.440 1.00 0.66 C ATOM 0 H VAL A 3 4.545 -9.726 -5.965 1.00 0.37 H new ATOM 0 HA VAL A 3 2.694 -8.059 -4.407 1.00 0.36 H new ATOM 0 HB VAL A 3 4.811 -7.011 -6.287 1.00 0.46 H new ATOM 0 HG11 VAL A 3 4.813 -5.124 -4.700 1.00 0.47 H new ATOM 0 HG12 VAL A 3 3.191 -5.432 -5.364 1.00 0.47 H new ATOM 0 HG13 VAL A 3 3.591 -5.962 -3.713 1.00 0.47 H new ATOM 0 HG21 VAL A 3 6.421 -6.966 -4.426 1.00 0.66 H new ATOM 0 HG22 VAL A 3 5.277 -7.887 -3.421 1.00 0.66 H new ATOM 0 HG23 VAL A 3 5.976 -8.628 -4.880 1.00 0.66 H new ATOM 51 N LYS A 4 1.137 -7.685 -6.311 1.00 0.29 N ATOM 52 CA LYS A 4 0.210 -7.407 -7.401 1.00 0.31 C ATOM 53 C LYS A 4 -0.332 -5.983 -7.312 1.00 0.30 C ATOM 54 O LYS A 4 -0.543 -5.456 -6.221 1.00 0.30 O ATOM 55 CB LYS A 4 -0.943 -8.421 -7.395 1.00 0.32 C ATOM 56 CG LYS A 4 -2.012 -8.162 -6.338 1.00 0.31 C ATOM 57 CD LYS A 4 -1.889 -9.126 -5.174 1.00 0.40 C ATOM 58 CE LYS A 4 -3.206 -9.273 -4.430 1.00 0.44 C ATOM 59 NZ LYS A 4 -3.263 -10.537 -3.646 1.00 1.09 N ATOM 0 H LYS A 4 0.708 -7.707 -5.386 1.00 0.29 H new ATOM 0 HA LYS A 4 0.755 -7.502 -8.340 1.00 0.31 H new ATOM 0 HB2 LYS A 4 -1.415 -8.420 -8.378 1.00 0.32 H new ATOM 0 HB3 LYS A 4 -0.531 -9.418 -7.240 1.00 0.32 H new ATOM 0 HG2 LYS A 4 -1.925 -7.138 -5.974 1.00 0.31 H new ATOM 0 HG3 LYS A 4 -3.000 -8.257 -6.788 1.00 0.31 H new ATOM 0 HD2 LYS A 4 -1.566 -10.101 -5.540 1.00 0.40 H new ATOM 0 HD3 LYS A 4 -1.120 -8.773 -4.487 1.00 0.40 H new ATOM 0 HE2 LYS A 4 -3.341 -8.424 -3.760 1.00 0.44 H new ATOM 0 HE3 LYS A 4 -4.030 -9.251 -5.143 1.00 0.44 H new ATOM 0 HZ1 LYS A 4 -4.241 -10.709 -3.336 1.00 1.09 H new ATOM 0 HZ2 LYS A 4 -2.944 -11.329 -4.240 1.00 1.09 H new ATOM 0 HZ3 LYS A 4 -2.644 -10.457 -2.814 1.00 1.09 H new ATOM 73 N ILE A 5 -0.563 -5.372 -8.467 1.00 0.31 N ATOM 74 CA ILE A 5 -1.100 -4.018 -8.519 1.00 0.33 C ATOM 75 C ILE A 5 -2.494 -4.017 -9.133 1.00 0.33 C ATOM 76 O ILE A 5 -2.676 -4.418 -10.282 1.00 0.42 O ATOM 77 CB ILE A 5 -0.192 -3.082 -9.338 1.00 0.45 C ATOM 78 CG1 ILE A 5 1.261 -3.217 -8.881 1.00 0.50 C ATOM 79 CG2 ILE A 5 -0.662 -1.642 -9.209 1.00 0.47 C ATOM 80 CD1 ILE A 5 1.440 -3.087 -7.385 1.00 0.80 C ATOM 0 H ILE A 5 -0.387 -5.792 -9.380 1.00 0.31 H new ATOM 0 HA ILE A 5 -1.149 -3.652 -7.493 1.00 0.33 H new ATOM 0 HB ILE A 5 -0.251 -3.370 -10.388 1.00 0.45 H new ATOM 0 HG12 ILE A 5 1.645 -4.185 -9.202 1.00 0.50 H new ATOM 0 HG13 ILE A 5 1.862 -2.455 -9.378 1.00 0.50 H new ATOM 0 HG21 ILE A 5 -0.010 -0.993 -9.793 1.00 0.47 H new ATOM 0 HG22 ILE A 5 -1.684 -1.558 -9.579 1.00 0.47 H new ATOM 0 HG23 ILE A 5 -0.629 -1.341 -8.162 1.00 0.47 H new ATOM 0 HD11 ILE A 5 2.495 -3.193 -7.134 1.00 0.80 H new ATOM 0 HD12 ILE A 5 1.087 -2.108 -7.060 1.00 0.80 H new ATOM 0 HD13 ILE A 5 0.867 -3.865 -6.881 1.00 0.80 H new ATOM 92 N GLU A 6 -3.478 -3.575 -8.358 1.00 0.29 N ATOM 93 CA GLU A 6 -4.857 -3.545 -8.832 1.00 0.34 C ATOM 94 C GLU A 6 -5.653 -2.434 -8.155 1.00 0.31 C ATOM 95 O GLU A 6 -5.431 -2.118 -6.986 1.00 0.32 O ATOM 96 CB GLU A 6 -5.530 -4.896 -8.578 1.00 0.41 C ATOM 97 CG GLU A 6 -6.441 -5.345 -9.708 1.00 0.79 C ATOM 98 CD GLU A 6 -7.136 -6.659 -9.408 1.00 1.35 C ATOM 99 OE1 GLU A 6 -8.166 -6.639 -8.703 1.00 2.00 O ATOM 100 OE2 GLU A 6 -6.650 -7.708 -9.881 1.00 1.86 O ATOM 0 H GLU A 6 -3.348 -3.235 -7.405 1.00 0.29 H new ATOM 0 HA GLU A 6 -4.839 -3.345 -9.903 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -4.760 -5.652 -8.421 1.00 0.41 H new ATOM 0 HB3 GLU A 6 -6.110 -4.836 -7.657 1.00 0.41 H new ATOM 0 HG2 GLU A 6 -7.190 -4.576 -9.893 1.00 0.79 H new ATOM 0 HG3 GLU A 6 -5.857 -5.448 -10.622 1.00 0.79 H new ATOM 107 N LYS A 7 -6.587 -1.849 -8.900 1.00 0.36 N ATOM 108 CA LYS A 7 -7.430 -0.784 -8.373 1.00 0.36 C ATOM 109 C LYS A 7 -8.867 -1.273 -8.198 1.00 0.37 C ATOM 110 O LYS A 7 -9.644 -1.294 -9.153 1.00 0.43 O ATOM 111 CB LYS A 7 -7.402 0.426 -9.311 1.00 0.42 C ATOM 112 CG LYS A 7 -6.039 1.091 -9.402 1.00 0.51 C ATOM 113 CD LYS A 7 -5.213 0.516 -10.542 1.00 0.76 C ATOM 114 CE LYS A 7 -4.409 1.595 -11.248 1.00 1.18 C ATOM 115 NZ LYS A 7 -3.422 2.236 -10.338 1.00 1.91 N ATOM 0 H LYS A 7 -6.778 -2.096 -9.871 1.00 0.36 H new ATOM 0 HA LYS A 7 -7.041 -0.488 -7.399 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -7.711 0.110 -10.308 1.00 0.42 H new ATOM 0 HB3 LYS A 7 -8.133 1.159 -8.968 1.00 0.42 H new ATOM 0 HG2 LYS A 7 -6.165 2.164 -9.548 1.00 0.51 H new ATOM 0 HG3 LYS A 7 -5.505 0.958 -8.461 1.00 0.51 H new ATOM 0 HD2 LYS A 7 -4.538 -0.247 -10.154 1.00 0.76 H new ATOM 0 HD3 LYS A 7 -5.872 0.025 -11.258 1.00 0.76 H new ATOM 0 HE2 LYS A 7 -3.888 1.160 -12.101 1.00 1.18 H new ATOM 0 HE3 LYS A 7 -5.086 2.353 -11.641 1.00 1.18 H new ATOM 0 HZ1 LYS A 7 -2.584 2.524 -10.882 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 -3.851 3.073 -9.894 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 -3.140 1.560 -9.600 1.00 1.91 H new ATOM 129 N PRO A 8 -9.250 -1.647 -6.964 1.00 0.35 N ATOM 130 CA PRO A 8 -10.589 -2.166 -6.682 1.00 0.39 C ATOM 131 C PRO A 8 -11.695 -1.239 -7.168 1.00 0.51 C ATOM 132 O PRO A 8 -11.686 -0.040 -6.894 1.00 0.72 O ATOM 133 CB PRO A 8 -10.623 -2.265 -5.158 1.00 0.44 C ATOM 134 CG PRO A 8 -9.200 -2.420 -4.751 1.00 0.60 C ATOM 135 CD PRO A 8 -8.380 -1.680 -5.773 1.00 0.33 C ATOM 0 HA PRO A 8 -10.764 -3.112 -7.194 1.00 0.39 H new ATOM 0 HB2 PRO A 8 -11.066 -1.373 -4.714 1.00 0.44 H new ATOM 0 HB3 PRO A 8 -11.222 -3.115 -4.831 1.00 0.44 H new ATOM 0 HG2 PRO A 8 -9.035 -2.013 -3.753 1.00 0.60 H new ATOM 0 HG3 PRO A 8 -8.919 -3.473 -4.716 1.00 0.60 H new ATOM 0 HD2 PRO A 8 -8.129 -0.675 -5.433 1.00 0.33 H new ATOM 0 HD3 PRO A 8 -7.440 -2.192 -5.978 1.00 0.33 H new ATOM 143 N THR A 9 -12.649 -1.815 -7.888 1.00 0.48 N ATOM 144 CA THR A 9 -13.790 -1.060 -8.398 1.00 0.63 C ATOM 145 C THR A 9 -14.935 -1.078 -7.390 1.00 0.87 C ATOM 146 O THR A 9 -15.026 -1.987 -6.563 1.00 1.46 O ATOM 147 CB THR A 9 -14.268 -1.630 -9.743 1.00 0.64 C ATOM 148 OG1 THR A 9 -15.623 -1.291 -9.975 1.00 1.47 O ATOM 149 CG2 THR A 9 -14.154 -3.135 -9.846 1.00 1.31 C ATOM 0 H THR A 9 -12.657 -2.805 -8.133 1.00 0.48 H new ATOM 0 HA THR A 9 -13.469 -0.030 -8.553 1.00 0.63 H new ATOM 0 HB THR A 9 -13.608 -1.185 -10.487 1.00 0.64 H new ATOM 0 HG1 THR A 9 -15.910 -1.660 -10.836 1.00 1.47 H new ATOM 0 HG21 THR A 9 -14.510 -3.461 -10.823 1.00 1.31 H new ATOM 0 HG22 THR A 9 -13.112 -3.430 -9.723 1.00 1.31 H new ATOM 0 HG23 THR A 9 -14.757 -3.600 -9.066 1.00 1.31 H new ATOM 157 N PRO A 10 -15.831 -0.077 -7.445 1.00 0.75 N ATOM 158 CA PRO A 10 -16.977 0.024 -6.544 1.00 1.04 C ATOM 159 C PRO A 10 -17.593 -1.336 -6.225 1.00 0.88 C ATOM 160 O PRO A 10 -18.126 -1.545 -5.134 1.00 1.00 O ATOM 161 CB PRO A 10 -17.975 0.899 -7.325 1.00 1.48 C ATOM 162 CG PRO A 10 -17.274 1.320 -8.585 1.00 1.30 C ATOM 163 CD PRO A 10 -15.810 1.042 -8.387 1.00 0.69 C ATOM 0 HA PRO A 10 -16.694 0.438 -5.576 1.00 1.04 H new ATOM 0 HB2 PRO A 10 -18.884 0.342 -7.554 1.00 1.48 H new ATOM 0 HB3 PRO A 10 -18.273 1.767 -6.737 1.00 1.48 H new ATOM 0 HG2 PRO A 10 -17.659 0.769 -9.443 1.00 1.30 H new ATOM 0 HG3 PRO A 10 -17.442 2.378 -8.785 1.00 1.30 H new ATOM 0 HD2 PRO A 10 -15.316 0.778 -9.322 1.00 0.69 H new ATOM 0 HD3 PRO A 10 -15.283 1.906 -7.981 1.00 0.69 H new ATOM 171 N GLU A 11 -17.503 -2.262 -7.174 1.00 0.71 N ATOM 172 CA GLU A 11 -18.047 -3.602 -6.991 1.00 0.78 C ATOM 173 C GLU A 11 -17.162 -4.435 -6.067 1.00 0.67 C ATOM 174 O GLU A 11 -17.660 -5.148 -5.195 1.00 0.75 O ATOM 175 CB GLU A 11 -18.188 -4.304 -8.344 1.00 0.84 C ATOM 176 CG GLU A 11 -19.351 -5.282 -8.403 1.00 1.27 C ATOM 177 CD GLU A 11 -19.460 -5.979 -9.747 1.00 2.11 C ATOM 178 OE1 GLU A 11 -18.430 -6.084 -10.446 1.00 2.59 O ATOM 179 OE2 GLU A 11 -20.573 -6.420 -10.098 1.00 2.71 O ATOM 0 H GLU A 11 -17.058 -2.108 -8.079 1.00 0.71 H new ATOM 0 HA GLU A 11 -19.030 -3.505 -6.530 1.00 0.78 H new ATOM 0 HB2 GLU A 11 -18.316 -3.552 -9.123 1.00 0.84 H new ATOM 0 HB3 GLU A 11 -17.264 -4.838 -8.565 1.00 0.84 H new ATOM 0 HG2 GLU A 11 -19.232 -6.030 -7.619 1.00 1.27 H new ATOM 0 HG3 GLU A 11 -20.280 -4.749 -8.198 1.00 1.27 H new ATOM 186 N LYS A 12 -15.851 -4.363 -6.280 1.00 0.56 N ATOM 187 CA LYS A 12 -14.903 -5.115 -5.466 1.00 0.53 C ATOM 188 C LYS A 12 -14.722 -4.466 -4.099 1.00 0.48 C ATOM 189 O LYS A 12 -14.488 -5.148 -3.101 1.00 0.50 O ATOM 190 CB LYS A 12 -13.553 -5.212 -6.180 1.00 0.53 C ATOM 191 CG LYS A 12 -13.557 -6.159 -7.368 1.00 0.86 C ATOM 192 CD LYS A 12 -13.082 -7.550 -6.979 1.00 0.66 C ATOM 193 CE LYS A 12 -11.596 -7.565 -6.660 1.00 0.83 C ATOM 194 NZ LYS A 12 -10.761 -7.598 -7.893 1.00 1.47 N ATOM 0 H LYS A 12 -15.422 -3.792 -7.008 1.00 0.56 H new ATOM 0 HA LYS A 12 -15.304 -6.118 -5.320 1.00 0.53 H new ATOM 0 HB2 LYS A 12 -13.259 -4.219 -6.519 1.00 0.53 H new ATOM 0 HB3 LYS A 12 -12.798 -5.541 -5.467 1.00 0.53 H new ATOM 0 HG2 LYS A 12 -14.564 -6.220 -7.781 1.00 0.86 H new ATOM 0 HG3 LYS A 12 -12.914 -5.761 -8.153 1.00 0.86 H new ATOM 0 HD2 LYS A 12 -13.644 -7.898 -6.112 1.00 0.66 H new ATOM 0 HD3 LYS A 12 -13.287 -8.246 -7.792 1.00 0.66 H new ATOM 0 HE2 LYS A 12 -11.342 -6.682 -6.074 1.00 0.83 H new ATOM 0 HE3 LYS A 12 -11.366 -8.434 -6.043 1.00 0.83 H new ATOM 0 HZ1 LYS A 12 -9.864 -7.102 -7.718 1.00 1.47 H new ATOM 0 HZ2 LYS A 12 -10.566 -8.586 -8.154 1.00 1.47 H new ATOM 0 HZ3 LYS A 12 -11.270 -7.129 -8.669 1.00 1.47 H new ATOM 208 N LEU A 13 -14.825 -3.142 -4.065 1.00 0.48 N ATOM 209 CA LEU A 13 -14.662 -2.393 -2.825 1.00 0.48 C ATOM 210 C LEU A 13 -15.759 -2.738 -1.824 1.00 0.51 C ATOM 211 O LEU A 13 -15.546 -2.684 -0.614 1.00 0.50 O ATOM 212 CB LEU A 13 -14.655 -0.891 -3.114 1.00 0.60 C ATOM 213 CG LEU A 13 -13.404 -0.390 -3.837 1.00 0.61 C ATOM 214 CD1 LEU A 13 -13.678 0.933 -4.533 1.00 0.93 C ATOM 215 CD2 LEU A 13 -12.246 -0.255 -2.863 1.00 0.71 C ATOM 0 H LEU A 13 -15.021 -2.565 -4.883 1.00 0.48 H new ATOM 0 HA LEU A 13 -13.706 -2.673 -2.382 1.00 0.48 H new ATOM 0 HB2 LEU A 13 -15.530 -0.646 -3.716 1.00 0.60 H new ATOM 0 HB3 LEU A 13 -14.755 -0.352 -2.172 1.00 0.60 H new ATOM 0 HG LEU A 13 -13.131 -1.122 -4.597 1.00 0.61 H new ATOM 0 HD11 LEU A 13 -12.775 1.271 -5.041 1.00 0.93 H new ATOM 0 HD12 LEU A 13 -14.477 0.802 -5.263 1.00 0.93 H new ATOM 0 HD13 LEU A 13 -13.979 1.677 -3.795 1.00 0.93 H new ATOM 0 HD21 LEU A 13 -11.364 0.103 -3.394 1.00 0.71 H new ATOM 0 HD22 LEU A 13 -12.511 0.455 -2.079 1.00 0.71 H new ATOM 0 HD23 LEU A 13 -12.032 -1.226 -2.416 1.00 0.71 H new ATOM 227 N LYS A 14 -16.934 -3.094 -2.333 1.00 0.61 N ATOM 228 CA LYS A 14 -18.055 -3.456 -1.474 1.00 0.72 C ATOM 229 C LYS A 14 -17.640 -4.542 -0.485 1.00 0.73 C ATOM 230 O LYS A 14 -17.890 -4.430 0.714 1.00 0.79 O ATOM 231 CB LYS A 14 -19.236 -3.937 -2.318 1.00 0.82 C ATOM 232 CG LYS A 14 -20.545 -4.016 -1.548 1.00 0.86 C ATOM 233 CD LYS A 14 -21.418 -2.799 -1.807 1.00 1.29 C ATOM 234 CE LYS A 14 -21.951 -2.786 -3.231 1.00 1.57 C ATOM 235 NZ LYS A 14 -22.362 -4.144 -3.684 1.00 2.01 N ATOM 0 H LYS A 14 -17.134 -3.139 -3.332 1.00 0.61 H new ATOM 0 HA LYS A 14 -18.360 -2.572 -0.914 1.00 0.72 H new ATOM 0 HB2 LYS A 14 -19.363 -3.264 -3.166 1.00 0.82 H new ATOM 0 HB3 LYS A 14 -19.004 -4.921 -2.725 1.00 0.82 H new ATOM 0 HG2 LYS A 14 -21.083 -4.919 -1.835 1.00 0.86 H new ATOM 0 HG3 LYS A 14 -20.337 -4.095 -0.481 1.00 0.86 H new ATOM 0 HD2 LYS A 14 -22.252 -2.793 -1.105 1.00 1.29 H new ATOM 0 HD3 LYS A 14 -20.842 -1.892 -1.625 1.00 1.29 H new ATOM 0 HE2 LYS A 14 -22.803 -2.109 -3.293 1.00 1.57 H new ATOM 0 HE3 LYS A 14 -21.185 -2.396 -3.902 1.00 1.57 H new ATOM 0 HZ1 LYS A 14 -23.039 -4.058 -4.468 1.00 2.01 H new ATOM 0 HZ2 LYS A 14 -21.525 -4.671 -4.005 1.00 2.01 H new ATOM 0 HZ3 LYS A 14 -22.809 -4.653 -2.895 1.00 2.01 H new ATOM 249 N GLU A 15 -16.996 -5.585 -0.999 1.00 0.72 N ATOM 250 CA GLU A 15 -16.519 -6.679 -0.159 1.00 0.79 C ATOM 251 C GLU A 15 -15.218 -6.290 0.535 1.00 0.73 C ATOM 252 O GLU A 15 -14.915 -6.765 1.629 1.00 0.77 O ATOM 253 CB GLU A 15 -16.311 -7.940 -0.998 1.00 0.85 C ATOM 254 CG GLU A 15 -17.375 -8.139 -2.065 1.00 1.40 C ATOM 255 CD GLU A 15 -17.762 -9.595 -2.238 1.00 1.73 C ATOM 256 OE1 GLU A 15 -18.293 -10.186 -1.274 1.00 1.86 O ATOM 257 OE2 GLU A 15 -17.534 -10.143 -3.336 1.00 2.35 O ATOM 0 H GLU A 15 -16.792 -5.696 -1.992 1.00 0.72 H new ATOM 0 HA GLU A 15 -17.272 -6.884 0.602 1.00 0.79 H new ATOM 0 HB2 GLU A 15 -15.333 -7.892 -1.476 1.00 0.85 H new ATOM 0 HB3 GLU A 15 -16.301 -8.808 -0.339 1.00 0.85 H new ATOM 0 HG2 GLU A 15 -18.261 -7.560 -1.802 1.00 1.40 H new ATOM 0 HG3 GLU A 15 -17.009 -7.749 -3.015 1.00 1.40 H new ATOM 264 N LEU A 16 -14.458 -5.412 -0.112 1.00 0.68 N ATOM 265 CA LEU A 16 -13.196 -4.928 0.437 1.00 0.64 C ATOM 266 C LEU A 16 -13.405 -3.676 1.283 1.00 0.55 C ATOM 267 O LEU A 16 -12.448 -2.951 1.550 1.00 0.51 O ATOM 268 CB LEU A 16 -12.203 -4.628 -0.687 1.00 0.68 C ATOM 269 CG LEU A 16 -11.887 -5.810 -1.601 1.00 0.99 C ATOM 270 CD1 LEU A 16 -10.870 -5.412 -2.661 1.00 1.21 C ATOM 271 CD2 LEU A 16 -11.383 -6.991 -0.787 1.00 1.54 C ATOM 0 H LEU A 16 -14.696 -5.019 -1.023 1.00 0.68 H new ATOM 0 HA LEU A 16 -12.791 -5.714 1.075 1.00 0.64 H new ATOM 0 HB2 LEU A 16 -12.600 -3.814 -1.294 1.00 0.68 H new ATOM 0 HB3 LEU A 16 -11.273 -4.271 -0.244 1.00 0.68 H new ATOM 0 HG LEU A 16 -12.805 -6.109 -2.107 1.00 0.99 H new ATOM 0 HD11 LEU A 16 -10.658 -6.268 -3.302 1.00 1.21 H new ATOM 0 HD12 LEU A 16 -11.272 -4.598 -3.264 1.00 1.21 H new ATOM 0 HD13 LEU A 16 -9.950 -5.085 -2.177 1.00 1.21 H new ATOM 0 HD21 LEU A 16 -11.163 -7.825 -1.454 1.00 1.54 H new ATOM 0 HD22 LEU A 16 -10.477 -6.704 -0.252 1.00 1.54 H new ATOM 0 HD23 LEU A 16 -12.147 -7.292 -0.070 1.00 1.54 H new ATOM 283 N SER A 17 -14.669 -3.401 1.646 1.00 0.55 N ATOM 284 CA SER A 17 -15.046 -2.213 2.425 1.00 0.51 C ATOM 285 C SER A 17 -13.927 -1.729 3.341 1.00 0.44 C ATOM 286 O SER A 17 -13.845 -2.116 4.506 1.00 0.47 O ATOM 287 CB SER A 17 -16.292 -2.514 3.259 1.00 0.57 C ATOM 288 OG SER A 17 -17.413 -2.767 2.431 1.00 0.72 O ATOM 0 H SER A 17 -15.459 -3.999 1.406 1.00 0.55 H new ATOM 0 HA SER A 17 -15.250 -1.415 1.711 1.00 0.51 H new ATOM 0 HB2 SER A 17 -16.106 -3.378 3.897 1.00 0.57 H new ATOM 0 HB3 SER A 17 -16.505 -1.671 3.917 1.00 0.57 H new ATOM 0 HG SER A 17 -17.339 -3.665 2.046 1.00 0.72 H new ATOM 294 N VAL A 18 -13.071 -0.873 2.795 1.00 0.41 N ATOM 295 CA VAL A 18 -11.960 -0.317 3.548 1.00 0.39 C ATOM 296 C VAL A 18 -12.454 0.675 4.596 1.00 0.41 C ATOM 297 O VAL A 18 -11.763 0.961 5.573 1.00 0.63 O ATOM 298 CB VAL A 18 -10.941 0.372 2.617 1.00 0.45 C ATOM 299 CG1 VAL A 18 -10.485 -0.591 1.529 1.00 0.52 C ATOM 300 CG2 VAL A 18 -11.534 1.634 2.006 1.00 1.10 C ATOM 0 H VAL A 18 -13.128 -0.550 1.829 1.00 0.41 H new ATOM 0 HA VAL A 18 -11.463 -1.146 4.052 1.00 0.39 H new ATOM 0 HB VAL A 18 -10.073 0.661 3.209 1.00 0.45 H new ATOM 0 HG11 VAL A 18 -9.766 -0.092 0.879 1.00 0.52 H new ATOM 0 HG12 VAL A 18 -10.016 -1.462 1.987 1.00 0.52 H new ATOM 0 HG13 VAL A 18 -11.346 -0.909 0.941 1.00 0.52 H new ATOM 0 HG21 VAL A 18 -10.798 2.103 1.353 1.00 1.10 H new ATOM 0 HG22 VAL A 18 -12.420 1.376 1.427 1.00 1.10 H new ATOM 0 HG23 VAL A 18 -11.809 2.328 2.800 1.00 1.10 H new ATOM 310 N GLU A 19 -13.665 1.186 4.391 1.00 0.44 N ATOM 311 CA GLU A 19 -14.274 2.127 5.323 1.00 0.47 C ATOM 312 C GLU A 19 -14.171 1.614 6.754 1.00 0.44 C ATOM 313 O GLU A 19 -14.024 2.391 7.698 1.00 0.53 O ATOM 314 CB GLU A 19 -15.742 2.328 4.956 1.00 0.51 C ATOM 315 CG GLU A 19 -16.469 1.024 4.664 1.00 0.50 C ATOM 316 CD GLU A 19 -17.658 0.802 5.577 1.00 0.81 C ATOM 317 OE1 GLU A 19 -17.629 1.302 6.721 1.00 1.39 O ATOM 318 OE2 GLU A 19 -18.618 0.128 5.149 1.00 1.36 O ATOM 0 H GLU A 19 -14.246 0.962 3.583 1.00 0.44 H new ATOM 0 HA GLU A 19 -13.742 3.076 5.257 1.00 0.47 H new ATOM 0 HB2 GLU A 19 -16.247 2.843 5.773 1.00 0.51 H new ATOM 0 HB3 GLU A 19 -15.806 2.976 4.082 1.00 0.51 H new ATOM 0 HG2 GLU A 19 -16.807 1.025 3.628 1.00 0.50 H new ATOM 0 HG3 GLU A 19 -15.773 0.192 4.772 1.00 0.50 H new ATOM 325 N LYS A 20 -14.262 0.299 6.902 1.00 0.38 N ATOM 326 CA LYS A 20 -14.185 -0.336 8.212 1.00 0.38 C ATOM 327 C LYS A 20 -12.741 -0.404 8.699 1.00 0.34 C ATOM 328 O LYS A 20 -12.484 -0.521 9.897 1.00 0.39 O ATOM 329 CB LYS A 20 -14.780 -1.753 8.166 1.00 0.42 C ATOM 330 CG LYS A 20 -15.816 -1.962 7.068 1.00 0.51 C ATOM 331 CD LYS A 20 -16.549 -3.282 7.236 1.00 0.54 C ATOM 332 CE LYS A 20 -18.044 -3.122 7.010 1.00 1.69 C ATOM 333 NZ LYS A 20 -18.830 -4.155 7.737 1.00 2.00 N ATOM 0 H LYS A 20 -14.390 -0.352 6.127 1.00 0.38 H new ATOM 0 HA LYS A 20 -14.764 0.270 8.908 1.00 0.38 H new ATOM 0 HB2 LYS A 20 -13.971 -2.470 8.027 1.00 0.42 H new ATOM 0 HB3 LYS A 20 -15.239 -1.973 9.130 1.00 0.42 H new ATOM 0 HG2 LYS A 20 -16.534 -1.142 7.083 1.00 0.51 H new ATOM 0 HG3 LYS A 20 -15.326 -1.939 6.095 1.00 0.51 H new ATOM 0 HD2 LYS A 20 -16.150 -4.013 6.533 1.00 0.54 H new ATOM 0 HD3 LYS A 20 -16.371 -3.673 8.238 1.00 0.54 H new ATOM 0 HE2 LYS A 20 -18.356 -2.131 7.338 1.00 1.69 H new ATOM 0 HE3 LYS A 20 -18.259 -3.187 5.943 1.00 1.69 H new ATOM 0 HZ1 LYS A 20 -19.844 -4.011 7.556 1.00 2.00 H new ATOM 0 HZ2 LYS A 20 -18.551 -5.101 7.406 1.00 2.00 H new ATOM 0 HZ3 LYS A 20 -18.646 -4.077 8.758 1.00 2.00 H new ATOM 347 N TRP A 21 -11.798 -0.336 7.762 1.00 0.31 N ATOM 348 CA TRP A 21 -10.383 -0.412 8.097 1.00 0.32 C ATOM 349 C TRP A 21 -9.861 0.960 8.516 1.00 0.31 C ATOM 350 O TRP A 21 -10.361 1.987 8.058 1.00 0.39 O ATOM 351 CB TRP A 21 -9.569 -0.927 6.900 1.00 0.35 C ATOM 352 CG TRP A 21 -10.224 -2.029 6.110 1.00 0.33 C ATOM 353 CD1 TRP A 21 -11.387 -2.693 6.398 1.00 0.34 C ATOM 354 CD2 TRP A 21 -9.738 -2.594 4.884 1.00 0.35 C ATOM 355 NE1 TRP A 21 -11.653 -3.624 5.424 1.00 0.36 N ATOM 356 CE2 TRP A 21 -10.658 -3.581 4.483 1.00 0.37 C ATOM 357 CE3 TRP A 21 -8.623 -2.347 4.078 1.00 0.39 C ATOM 358 CZ2 TRP A 21 -10.489 -4.328 3.321 1.00 0.43 C ATOM 359 CZ3 TRP A 21 -8.455 -3.090 2.925 1.00 0.44 C ATOM 360 CH2 TRP A 21 -9.385 -4.071 2.555 1.00 0.46 C ATOM 0 H TRP A 21 -11.991 -0.228 6.766 1.00 0.31 H new ATOM 0 HA TRP A 21 -10.270 -1.108 8.928 1.00 0.32 H new ATOM 0 HB2 TRP A 21 -9.368 -0.091 6.230 1.00 0.35 H new ATOM 0 HB3 TRP A 21 -8.605 -1.284 7.262 1.00 0.35 H new ATOM 0 HD1 TRP A 21 -12.005 -2.511 7.265 1.00 0.34 H new ATOM 0 HE1 TRP A 21 -12.461 -4.247 5.404 1.00 0.36 H new ATOM 0 HE3 TRP A 21 -7.905 -1.588 4.352 1.00 0.39 H new ATOM 0 HZ2 TRP A 21 -11.205 -5.084 3.034 1.00 0.43 H new ATOM 0 HZ3 TRP A 21 -7.593 -2.912 2.299 1.00 0.44 H new ATOM 0 HH2 TRP A 21 -9.227 -4.635 1.648 1.00 0.46 H new ATOM 371 N PRO A 22 -8.844 1.000 9.394 1.00 0.34 N ATOM 372 CA PRO A 22 -8.253 2.259 9.853 1.00 0.39 C ATOM 373 C PRO A 22 -7.815 3.135 8.686 1.00 0.34 C ATOM 374 O PRO A 22 -7.973 2.762 7.524 1.00 0.48 O ATOM 375 CB PRO A 22 -7.034 1.823 10.679 1.00 0.51 C ATOM 376 CG PRO A 22 -6.827 0.381 10.356 1.00 0.42 C ATOM 377 CD PRO A 22 -8.177 -0.166 9.988 1.00 0.45 C ATOM 0 HA PRO A 22 -8.965 2.856 10.422 1.00 0.39 H new ATOM 0 HB2 PRO A 22 -6.154 2.413 10.421 1.00 0.51 H new ATOM 0 HB3 PRO A 22 -7.212 1.965 11.745 1.00 0.51 H new ATOM 0 HG2 PRO A 22 -6.122 0.264 9.533 1.00 0.42 H new ATOM 0 HG3 PRO A 22 -6.411 -0.153 11.210 1.00 0.42 H new ATOM 0 HD2 PRO A 22 -8.101 -0.993 9.282 1.00 0.45 H new ATOM 0 HD3 PRO A 22 -8.714 -0.540 10.860 1.00 0.45 H new ATOM 385 N ILE A 23 -7.260 4.300 9.000 1.00 0.38 N ATOM 386 CA ILE A 23 -6.798 5.217 7.969 1.00 0.36 C ATOM 387 C ILE A 23 -5.465 5.852 8.351 1.00 0.31 C ATOM 388 O ILE A 23 -5.188 6.076 9.529 1.00 0.32 O ATOM 389 CB ILE A 23 -7.826 6.330 7.699 1.00 0.47 C ATOM 390 CG1 ILE A 23 -9.204 5.725 7.423 1.00 1.15 C ATOM 391 CG2 ILE A 23 -7.376 7.194 6.530 1.00 0.97 C ATOM 392 CD1 ILE A 23 -10.011 5.464 8.676 1.00 1.60 C ATOM 0 H ILE A 23 -7.120 4.629 9.955 1.00 0.38 H new ATOM 0 HA ILE A 23 -6.669 4.627 7.062 1.00 0.36 H new ATOM 0 HB ILE A 23 -7.898 6.961 8.585 1.00 0.47 H new ATOM 0 HG12 ILE A 23 -9.764 6.398 6.773 1.00 1.15 H new ATOM 0 HG13 ILE A 23 -9.079 4.788 6.880 1.00 1.15 H new ATOM 0 HG21 ILE A 23 -8.113 7.977 6.351 1.00 0.97 H new ATOM 0 HG22 ILE A 23 -6.413 7.649 6.763 1.00 0.97 H new ATOM 0 HG23 ILE A 23 -7.279 6.576 5.637 1.00 0.97 H new ATOM 0 HD11 ILE A 23 -10.976 5.035 8.405 1.00 1.60 H new ATOM 0 HD12 ILE A 23 -9.472 4.767 9.318 1.00 1.60 H new ATOM 0 HD13 ILE A 23 -10.168 6.401 9.210 1.00 1.60 H new ATOM 404 N TRP A 24 -4.647 6.137 7.346 1.00 0.31 N ATOM 405 CA TRP A 24 -3.340 6.741 7.572 1.00 0.31 C ATOM 406 C TRP A 24 -3.183 8.024 6.765 1.00 0.31 C ATOM 407 O TRP A 24 -3.428 8.039 5.562 1.00 0.44 O ATOM 408 CB TRP A 24 -2.231 5.760 7.188 1.00 0.38 C ATOM 409 CG TRP A 24 -0.956 5.982 7.942 1.00 0.38 C ATOM 410 CD1 TRP A 24 -0.833 6.377 9.243 1.00 0.47 C ATOM 411 CD2 TRP A 24 0.376 5.826 7.440 1.00 0.44 C ATOM 412 NE1 TRP A 24 0.495 6.475 9.582 1.00 0.55 N ATOM 413 CE2 TRP A 24 1.257 6.141 8.493 1.00 0.51 C ATOM 414 CE3 TRP A 24 0.911 5.449 6.205 1.00 0.55 C ATOM 415 CZ2 TRP A 24 2.641 6.091 8.346 1.00 0.61 C ATOM 416 CZ3 TRP A 24 2.285 5.401 6.061 1.00 0.66 C ATOM 417 CH2 TRP A 24 3.137 5.719 7.126 1.00 0.66 C ATOM 0 H TRP A 24 -4.866 5.960 6.366 1.00 0.31 H new ATOM 0 HA TRP A 24 -3.262 6.983 8.632 1.00 0.31 H new ATOM 0 HB2 TRP A 24 -2.578 4.742 7.367 1.00 0.38 H new ATOM 0 HB3 TRP A 24 -2.033 5.846 6.120 1.00 0.38 H new ATOM 0 HD1 TRP A 24 -1.659 6.582 9.908 1.00 0.47 H new ATOM 0 HE1 TRP A 24 0.855 6.751 10.495 1.00 0.55 H new ATOM 0 HE3 TRP A 24 0.263 5.200 5.378 1.00 0.55 H new ATOM 0 HZ2 TRP A 24 3.300 6.337 9.166 1.00 0.61 H new ATOM 0 HZ3 TRP A 24 2.709 5.113 5.110 1.00 0.66 H new ATOM 0 HH2 TRP A 24 4.206 5.670 6.982 1.00 0.66 H new ATOM 428 N GLU A 25 -2.751 9.090 7.427 1.00 0.34 N ATOM 429 CA GLU A 25 -2.519 10.362 6.755 1.00 0.36 C ATOM 430 C GLU A 25 -1.029 10.677 6.743 1.00 0.37 C ATOM 431 O GLU A 25 -0.374 10.641 7.785 1.00 0.42 O ATOM 432 CB GLU A 25 -3.286 11.488 7.453 1.00 0.39 C ATOM 433 CG GLU A 25 -4.794 11.285 7.475 1.00 0.98 C ATOM 434 CD GLU A 25 -5.560 12.593 7.447 1.00 1.52 C ATOM 435 OE1 GLU A 25 -4.985 13.608 6.999 1.00 1.91 O ATOM 436 OE2 GLU A 25 -6.733 12.603 7.872 1.00 2.05 O ATOM 0 H GLU A 25 -2.554 9.099 8.428 1.00 0.34 H new ATOM 0 HA GLU A 25 -2.878 10.284 5.729 1.00 0.36 H new ATOM 0 HB2 GLU A 25 -2.926 11.578 8.478 1.00 0.39 H new ATOM 0 HB3 GLU A 25 -3.063 12.431 6.953 1.00 0.39 H new ATOM 0 HG2 GLU A 25 -5.087 10.678 6.618 1.00 0.98 H new ATOM 0 HG3 GLU A 25 -5.069 10.727 8.370 1.00 0.98 H new ATOM 443 N LYS A 26 -0.491 10.983 5.567 1.00 0.39 N ATOM 444 CA LYS A 26 0.934 11.264 5.448 1.00 0.44 C ATOM 445 C LYS A 26 1.233 12.290 4.360 1.00 0.40 C ATOM 446 O LYS A 26 0.629 12.277 3.288 1.00 0.44 O ATOM 447 CB LYS A 26 1.700 9.970 5.163 1.00 0.51 C ATOM 448 CG LYS A 26 3.205 10.162 5.066 1.00 0.58 C ATOM 449 CD LYS A 26 3.793 10.639 6.384 1.00 1.19 C ATOM 450 CE LYS A 26 4.796 11.759 6.170 1.00 1.62 C ATOM 451 NZ LYS A 26 4.967 12.594 7.391 1.00 2.39 N ATOM 0 H LYS A 26 -1.013 11.042 4.693 1.00 0.39 H new ATOM 0 HA LYS A 26 1.260 11.688 6.397 1.00 0.44 H new ATOM 0 HB2 LYS A 26 1.484 9.249 5.951 1.00 0.51 H new ATOM 0 HB3 LYS A 26 1.336 9.540 4.230 1.00 0.51 H new ATOM 0 HG2 LYS A 26 3.675 9.222 4.776 1.00 0.58 H new ATOM 0 HG3 LYS A 26 3.431 10.886 4.283 1.00 0.58 H new ATOM 0 HD2 LYS A 26 2.992 10.986 7.037 1.00 1.19 H new ATOM 0 HD3 LYS A 26 4.279 9.805 6.890 1.00 1.19 H new ATOM 0 HE2 LYS A 26 5.758 11.334 5.883 1.00 1.62 H new ATOM 0 HE3 LYS A 26 4.466 12.388 5.343 1.00 1.62 H new ATOM 0 HZ1 LYS A 26 5.538 13.432 7.161 1.00 2.39 H new ATOM 0 HZ2 LYS A 26 4.034 12.896 7.739 1.00 2.39 H new ATOM 0 HZ3 LYS A 26 5.448 12.038 8.127 1.00 2.39 H new ATOM 465 N GLU A 27 2.192 13.162 4.651 1.00 0.49 N ATOM 466 CA GLU A 27 2.638 14.179 3.703 1.00 0.49 C ATOM 467 C GLU A 27 3.778 13.633 2.849 1.00 0.44 C ATOM 468 O GLU A 27 4.339 12.591 3.175 1.00 0.77 O ATOM 469 CB GLU A 27 3.079 15.457 4.426 1.00 0.72 C ATOM 470 CG GLU A 27 3.797 15.211 5.743 1.00 1.25 C ATOM 471 CD GLU A 27 2.844 15.132 6.919 1.00 1.93 C ATOM 472 OE1 GLU A 27 1.653 14.827 6.698 1.00 2.64 O ATOM 473 OE2 GLU A 27 3.287 15.382 8.060 1.00 2.20 O ATOM 0 H GLU A 27 2.681 13.185 5.546 1.00 0.49 H new ATOM 0 HA GLU A 27 1.798 14.433 3.057 1.00 0.49 H new ATOM 0 HB2 GLU A 27 3.736 16.025 3.768 1.00 0.72 H new ATOM 0 HB3 GLU A 27 2.202 16.076 4.613 1.00 0.72 H new ATOM 0 HG2 GLU A 27 4.364 14.282 5.676 1.00 1.25 H new ATOM 0 HG3 GLU A 27 4.516 16.012 5.916 1.00 1.25 H new ATOM 480 N VAL A 28 4.012 14.272 1.701 1.00 0.34 N ATOM 481 CA VAL A 28 5.045 13.851 0.740 1.00 0.26 C ATOM 482 C VAL A 28 6.442 13.707 1.367 1.00 0.28 C ATOM 483 O VAL A 28 7.367 14.437 1.012 1.00 0.43 O ATOM 484 CB VAL A 28 5.134 14.863 -0.421 1.00 0.29 C ATOM 485 CG1 VAL A 28 6.159 14.428 -1.458 1.00 1.00 C ATOM 486 CG2 VAL A 28 3.767 15.050 -1.059 1.00 0.37 C ATOM 0 H VAL A 28 3.492 15.098 1.407 1.00 0.34 H new ATOM 0 HA VAL A 28 4.739 12.868 0.383 1.00 0.26 H new ATOM 0 HB VAL A 28 5.465 15.819 -0.014 1.00 0.29 H new ATOM 0 HG11 VAL A 28 6.197 15.163 -2.262 1.00 1.00 H new ATOM 0 HG12 VAL A 28 7.140 14.351 -0.990 1.00 1.00 H new ATOM 0 HG13 VAL A 28 5.875 13.458 -1.866 1.00 1.00 H new ATOM 0 HG21 VAL A 28 3.842 15.766 -1.877 1.00 0.37 H new ATOM 0 HG22 VAL A 28 3.412 14.094 -1.445 1.00 0.37 H new ATOM 0 HG23 VAL A 28 3.065 15.423 -0.313 1.00 0.37 H new ATOM 496 N SER A 29 6.578 12.785 2.312 1.00 0.29 N ATOM 497 CA SER A 29 7.860 12.502 2.948 1.00 0.40 C ATOM 498 C SER A 29 8.562 11.330 2.258 1.00 0.35 C ATOM 499 O SER A 29 8.274 11.017 1.102 1.00 0.35 O ATOM 500 CB SER A 29 7.643 12.196 4.433 1.00 0.56 C ATOM 501 OG SER A 29 8.697 12.720 5.222 1.00 1.09 O ATOM 0 H SER A 29 5.807 12.214 2.658 1.00 0.29 H new ATOM 0 HA SER A 29 8.499 13.380 2.854 1.00 0.40 H new ATOM 0 HB2 SER A 29 6.694 12.621 4.760 1.00 0.56 H new ATOM 0 HB3 SER A 29 7.577 11.118 4.579 1.00 0.56 H new ATOM 0 HG SER A 29 8.533 12.513 6.166 1.00 1.09 H new ATOM 507 N GLU A 30 9.449 10.655 2.991 1.00 0.42 N ATOM 508 CA GLU A 30 10.123 9.463 2.490 1.00 0.41 C ATOM 509 C GLU A 30 10.383 8.508 3.651 1.00 0.50 C ATOM 510 O GLU A 30 10.963 8.898 4.664 1.00 0.70 O ATOM 511 CB GLU A 30 11.441 9.836 1.807 1.00 0.61 C ATOM 512 CG GLU A 30 11.275 10.809 0.651 1.00 0.76 C ATOM 513 CD GLU A 30 11.323 12.258 1.097 1.00 1.14 C ATOM 514 OE1 GLU A 30 11.573 12.503 2.296 1.00 1.70 O ATOM 515 OE2 GLU A 30 11.113 13.148 0.247 1.00 1.60 O ATOM 0 H GLU A 30 9.716 10.918 3.939 1.00 0.42 H new ATOM 0 HA GLU A 30 9.485 8.976 1.753 1.00 0.41 H new ATOM 0 HB2 GLU A 30 12.112 10.274 2.546 1.00 0.61 H new ATOM 0 HB3 GLU A 30 11.920 8.928 1.440 1.00 0.61 H new ATOM 0 HG2 GLU A 30 12.061 10.632 -0.083 1.00 0.76 H new ATOM 0 HG3 GLU A 30 10.325 10.617 0.153 1.00 0.76 H new ATOM 522 N PHE A 31 9.906 7.275 3.525 1.00 0.46 N ATOM 523 CA PHE A 31 10.041 6.300 4.601 1.00 0.63 C ATOM 524 C PHE A 31 10.670 4.995 4.134 1.00 0.58 C ATOM 525 O PHE A 31 10.459 4.558 3.003 1.00 0.48 O ATOM 526 CB PHE A 31 8.671 6.013 5.214 1.00 0.83 C ATOM 527 CG PHE A 31 8.028 7.215 5.840 1.00 0.84 C ATOM 528 CD1 PHE A 31 8.445 7.676 7.079 1.00 1.70 C ATOM 529 CD2 PHE A 31 7.005 7.883 5.188 1.00 0.79 C ATOM 530 CE1 PHE A 31 7.852 8.783 7.655 1.00 2.52 C ATOM 531 CE2 PHE A 31 6.410 8.989 5.760 1.00 1.49 C ATOM 532 CZ PHE A 31 6.833 9.440 6.995 1.00 2.40 C ATOM 0 H PHE A 31 9.426 6.928 2.695 1.00 0.46 H new ATOM 0 HA PHE A 31 10.707 6.736 5.346 1.00 0.63 H new ATOM 0 HB2 PHE A 31 8.011 5.620 4.440 1.00 0.83 H new ATOM 0 HB3 PHE A 31 8.776 5.234 5.969 1.00 0.83 H new ATOM 0 HD1 PHE A 31 9.241 7.165 7.599 1.00 1.70 H new ATOM 0 HD2 PHE A 31 6.670 7.535 4.222 1.00 0.79 H new ATOM 0 HE1 PHE A 31 8.185 9.134 8.620 1.00 2.52 H new ATOM 0 HE2 PHE A 31 5.613 9.502 5.242 1.00 1.49 H new ATOM 0 HZ PHE A 31 6.367 10.305 7.444 1.00 2.40 H new ATOM 542 N ASP A 32 11.394 4.347 5.041 1.00 0.73 N ATOM 543 CA ASP A 32 11.956 3.032 4.773 1.00 0.74 C ATOM 544 C ASP A 32 10.949 1.971 5.204 1.00 0.90 C ATOM 545 O ASP A 32 10.354 2.079 6.277 1.00 1.42 O ATOM 546 CB ASP A 32 13.276 2.844 5.525 1.00 1.06 C ATOM 547 CG ASP A 32 14.032 1.612 5.070 1.00 2.02 C ATOM 548 OD1 ASP A 32 14.004 1.313 3.858 1.00 2.89 O ATOM 549 OD2 ASP A 32 14.651 0.946 5.926 1.00 2.36 O ATOM 0 H ASP A 32 11.604 4.714 5.969 1.00 0.73 H new ATOM 0 HA ASP A 32 12.161 2.937 3.707 1.00 0.74 H new ATOM 0 HB2 ASP A 32 13.902 3.725 5.380 1.00 1.06 H new ATOM 0 HB3 ASP A 32 13.074 2.769 6.594 1.00 1.06 H new ATOM 554 N TRP A 33 10.722 0.971 4.362 1.00 0.63 N ATOM 555 CA TRP A 33 9.718 -0.042 4.664 1.00 0.93 C ATOM 556 C TRP A 33 10.331 -1.419 4.876 1.00 0.61 C ATOM 557 O TRP A 33 11.118 -1.902 4.061 1.00 0.45 O ATOM 558 CB TRP A 33 8.680 -0.110 3.543 1.00 1.36 C ATOM 559 CG TRP A 33 7.309 -0.473 4.027 1.00 1.58 C ATOM 560 CD1 TRP A 33 6.705 -0.042 5.173 1.00 2.21 C ATOM 561 CD2 TRP A 33 6.373 -1.343 3.382 1.00 1.38 C ATOM 562 NE1 TRP A 33 5.449 -0.590 5.278 1.00 2.32 N ATOM 563 CE2 TRP A 33 5.222 -1.393 4.191 1.00 1.76 C ATOM 564 CE3 TRP A 33 6.396 -2.086 2.198 1.00 1.34 C ATOM 565 CZ2 TRP A 33 4.107 -2.154 3.853 1.00 1.72 C ATOM 566 CZ3 TRP A 33 5.289 -2.841 1.863 1.00 1.52 C ATOM 567 CH2 TRP A 33 4.157 -2.870 2.687 1.00 1.51 C ATOM 0 H TRP A 33 11.211 0.840 3.477 1.00 0.63 H new ATOM 0 HA TRP A 33 9.238 0.254 5.597 1.00 0.93 H new ATOM 0 HB2 TRP A 33 8.636 0.855 3.039 1.00 1.36 H new ATOM 0 HB3 TRP A 33 9.002 -0.842 2.803 1.00 1.36 H new ATOM 0 HD1 TRP A 33 7.149 0.631 5.892 1.00 2.21 H new ATOM 0 HE1 TRP A 33 4.792 -0.426 6.041 1.00 2.32 H new ATOM 0 HE3 TRP A 33 7.265 -2.070 1.556 1.00 1.34 H new ATOM 0 HZ2 TRP A 33 3.234 -2.179 4.488 1.00 1.72 H new ATOM 0 HZ3 TRP A 33 5.297 -3.419 0.950 1.00 1.52 H new ATOM 0 HH2 TRP A 33 3.306 -3.469 2.397 1.00 1.51 H new ATOM 578 N TYR A 34 9.935 -2.052 5.974 1.00 0.69 N ATOM 579 CA TYR A 34 10.380 -3.400 6.295 1.00 0.52 C ATOM 580 C TYR A 34 9.183 -4.250 6.706 1.00 0.54 C ATOM 581 O TYR A 34 8.551 -3.994 7.730 1.00 0.68 O ATOM 582 CB TYR A 34 11.416 -3.366 7.419 1.00 0.70 C ATOM 583 CG TYR A 34 11.778 -4.733 7.952 1.00 0.67 C ATOM 584 CD1 TYR A 34 12.699 -5.535 7.291 1.00 0.86 C ATOM 585 CD2 TYR A 34 11.194 -5.223 9.113 1.00 0.78 C ATOM 586 CE1 TYR A 34 13.031 -6.786 7.774 1.00 0.98 C ATOM 587 CE2 TYR A 34 11.520 -6.474 9.602 1.00 0.87 C ATOM 588 CZ TYR A 34 12.438 -7.251 8.929 1.00 0.88 C ATOM 589 OH TYR A 34 12.765 -8.496 9.414 1.00 1.07 O ATOM 0 H TYR A 34 9.300 -1.647 6.662 1.00 0.69 H new ATOM 0 HA TYR A 34 10.845 -3.840 5.413 1.00 0.52 H new ATOM 0 HB2 TYR A 34 12.319 -2.877 7.054 1.00 0.70 H new ATOM 0 HB3 TYR A 34 11.032 -2.757 8.237 1.00 0.70 H new ATOM 0 HD1 TYR A 34 13.163 -5.175 6.385 1.00 0.86 H new ATOM 0 HD2 TYR A 34 10.474 -4.617 9.642 1.00 0.78 H new ATOM 0 HE1 TYR A 34 13.751 -7.397 7.250 1.00 0.98 H new ATOM 0 HE2 TYR A 34 11.058 -6.841 10.507 1.00 0.87 H new ATOM 0 HH TYR A 34 12.259 -8.670 10.235 1.00 1.07 H new ATOM 599 N TYR A 35 8.863 -5.250 5.893 1.00 0.46 N ATOM 600 CA TYR A 35 7.710 -6.100 6.152 1.00 0.52 C ATOM 601 C TYR A 35 7.975 -7.089 7.281 1.00 0.55 C ATOM 602 O TYR A 35 9.123 -7.410 7.588 1.00 0.73 O ATOM 603 CB TYR A 35 7.322 -6.855 4.882 1.00 0.51 C ATOM 604 CG TYR A 35 5.855 -6.751 4.546 1.00 0.79 C ATOM 605 CD1 TYR A 35 5.197 -5.530 4.594 1.00 1.33 C ATOM 606 CD2 TYR A 35 5.126 -7.876 4.188 1.00 1.06 C ATOM 607 CE1 TYR A 35 3.855 -5.431 4.288 1.00 1.67 C ATOM 608 CE2 TYR A 35 3.785 -7.786 3.881 1.00 1.31 C ATOM 609 CZ TYR A 35 3.152 -6.563 3.939 1.00 1.50 C ATOM 610 OH TYR A 35 1.819 -6.469 3.623 1.00 1.87 O ATOM 0 H TYR A 35 9.385 -5.491 5.051 1.00 0.46 H new ATOM 0 HA TYR A 35 6.888 -5.455 6.462 1.00 0.52 H new ATOM 0 HB2 TYR A 35 7.906 -6.470 4.047 1.00 0.51 H new ATOM 0 HB3 TYR A 35 7.587 -7.906 4.998 1.00 0.51 H new ATOM 0 HD1 TYR A 35 5.744 -4.643 4.876 1.00 1.33 H new ATOM 0 HD2 TYR A 35 5.617 -8.837 4.149 1.00 1.06 H new ATOM 0 HE1 TYR A 35 3.359 -4.472 4.322 1.00 1.67 H new ATOM 0 HE2 TYR A 35 3.233 -8.670 3.596 1.00 1.31 H new ATOM 0 HH TYR A 35 1.590 -7.157 2.963 1.00 1.87 H new ATOM 620 N ASP A 36 6.896 -7.574 7.891 1.00 0.56 N ATOM 621 CA ASP A 36 6.994 -8.532 8.986 1.00 0.68 C ATOM 622 C ASP A 36 5.681 -9.293 9.161 1.00 0.67 C ATOM 623 O ASP A 36 5.365 -9.761 10.255 1.00 0.88 O ATOM 624 CB ASP A 36 7.358 -7.817 10.288 1.00 0.85 C ATOM 625 CG ASP A 36 6.325 -6.781 10.688 1.00 1.30 C ATOM 626 OD1 ASP A 36 5.975 -5.933 9.840 1.00 2.12 O ATOM 627 OD2 ASP A 36 5.865 -6.819 11.849 1.00 1.59 O ATOM 0 H ASP A 36 5.941 -7.317 7.643 1.00 0.56 H new ATOM 0 HA ASP A 36 7.780 -9.247 8.741 1.00 0.68 H new ATOM 0 HB2 ASP A 36 7.459 -8.552 11.087 1.00 0.85 H new ATOM 0 HB3 ASP A 36 8.328 -7.333 10.175 1.00 0.85 H new ATOM 632 N THR A 37 4.914 -9.405 8.078 1.00 0.64 N ATOM 633 CA THR A 37 3.632 -10.106 8.111 1.00 0.64 C ATOM 634 C THR A 37 2.853 -9.886 6.819 1.00 0.66 C ATOM 635 O THR A 37 2.845 -8.786 6.267 1.00 0.92 O ATOM 636 CB THR A 37 2.790 -9.628 9.299 1.00 0.72 C ATOM 637 OG1 THR A 37 1.412 -9.871 9.067 1.00 1.70 O ATOM 638 CG2 THR A 37 2.952 -8.153 9.596 1.00 1.49 C ATOM 0 H THR A 37 5.158 -9.019 7.166 1.00 0.64 H new ATOM 0 HA THR A 37 3.840 -11.170 8.219 1.00 0.64 H new ATOM 0 HB THR A 37 3.154 -10.195 10.156 1.00 0.72 H new ATOM 0 HG1 THR A 37 0.891 -9.561 9.837 1.00 1.70 H new ATOM 0 HG21 THR A 37 2.328 -7.883 10.448 1.00 1.49 H new ATOM 0 HG22 THR A 37 3.996 -7.941 9.829 1.00 1.49 H new ATOM 0 HG23 THR A 37 2.649 -7.571 8.725 1.00 1.49 H new ATOM 646 N ASN A 38 2.178 -10.933 6.352 1.00 0.52 N ATOM 647 CA ASN A 38 1.359 -10.831 5.152 1.00 0.56 C ATOM 648 C ASN A 38 0.297 -9.756 5.343 1.00 0.65 C ATOM 649 O ASN A 38 -0.764 -10.012 5.912 1.00 0.82 O ATOM 650 CB ASN A 38 0.696 -12.176 4.842 1.00 0.59 C ATOM 651 CG ASN A 38 0.966 -12.641 3.424 1.00 1.06 C ATOM 652 OD1 ASN A 38 0.076 -12.626 2.574 1.00 2.08 O ATOM 653 ND2 ASN A 38 2.200 -13.054 3.161 1.00 1.04 N ATOM 0 H ASN A 38 2.183 -11.856 6.785 1.00 0.52 H new ATOM 0 HA ASN A 38 1.998 -10.558 4.312 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.060 -12.927 5.543 1.00 0.59 H new ATOM 0 HB3 ASN A 38 -0.380 -12.091 4.995 1.00 0.59 H new ATOM 0 HD21 ASN A 38 2.441 -13.376 2.224 1.00 1.04 H new ATOM 0 HD22 ASN A 38 2.907 -13.050 3.896 1.00 1.04 H new ATOM 660 N GLU A 39 0.607 -8.540 4.908 1.00 0.59 N ATOM 661 CA GLU A 39 -0.302 -7.414 5.083 1.00 0.69 C ATOM 662 C GLU A 39 -0.835 -6.915 3.737 1.00 0.54 C ATOM 663 O GLU A 39 -0.278 -7.209 2.679 1.00 0.60 O ATOM 664 CB GLU A 39 0.414 -6.291 5.872 1.00 0.94 C ATOM 665 CG GLU A 39 0.092 -4.864 5.431 1.00 0.81 C ATOM 666 CD GLU A 39 0.797 -3.821 6.274 1.00 1.14 C ATOM 667 OE1 GLU A 39 1.901 -4.114 6.782 1.00 1.36 O ATOM 668 OE2 GLU A 39 0.247 -2.710 6.428 1.00 1.45 O ATOM 0 H GLU A 39 1.479 -8.309 4.432 1.00 0.59 H new ATOM 0 HA GLU A 39 -1.169 -7.741 5.658 1.00 0.69 H new ATOM 0 HB2 GLU A 39 0.158 -6.393 6.927 1.00 0.94 H new ATOM 0 HB3 GLU A 39 1.490 -6.443 5.790 1.00 0.94 H new ATOM 0 HG2 GLU A 39 0.379 -4.737 4.387 1.00 0.81 H new ATOM 0 HG3 GLU A 39 -0.985 -4.704 5.487 1.00 0.81 H new ATOM 675 N THR A 40 -1.928 -6.162 3.802 1.00 0.43 N ATOM 676 CA THR A 40 -2.549 -5.588 2.616 1.00 0.35 C ATOM 677 C THR A 40 -3.017 -4.163 2.908 1.00 0.36 C ATOM 678 O THR A 40 -3.639 -3.909 3.938 1.00 0.41 O ATOM 679 CB THR A 40 -3.730 -6.460 2.167 1.00 0.31 C ATOM 680 OG1 THR A 40 -3.265 -7.666 1.585 1.00 0.40 O ATOM 681 CG2 THR A 40 -4.643 -5.789 1.161 1.00 0.40 C ATOM 0 H THR A 40 -2.405 -5.934 4.674 1.00 0.43 H new ATOM 0 HA THR A 40 -1.815 -5.555 1.811 1.00 0.35 H new ATOM 0 HB THR A 40 -4.304 -6.646 3.075 1.00 0.31 H new ATOM 0 HG1 THR A 40 -4.030 -8.211 1.306 1.00 0.40 H new ATOM 0 HG21 THR A 40 -5.452 -6.469 0.894 1.00 0.40 H new ATOM 0 HG22 THR A 40 -5.061 -4.882 1.597 1.00 0.40 H new ATOM 0 HG23 THR A 40 -4.074 -5.533 0.267 1.00 0.40 H new ATOM 689 N CYS A 41 -2.715 -3.236 2.006 1.00 0.34 N ATOM 690 CA CYS A 41 -3.125 -1.845 2.188 1.00 0.33 C ATOM 691 C CYS A 41 -3.798 -1.306 0.931 1.00 0.30 C ATOM 692 O CYS A 41 -3.544 -1.778 -0.177 1.00 0.31 O ATOM 693 CB CYS A 41 -1.934 -0.961 2.575 1.00 0.36 C ATOM 694 SG CYS A 41 -0.332 -1.531 1.952 1.00 0.63 S ATOM 0 H CYS A 41 -2.193 -3.418 1.149 1.00 0.34 H new ATOM 0 HA CYS A 41 -3.847 -1.820 3.004 1.00 0.33 H new ATOM 0 HB2 CYS A 41 -2.114 0.049 2.205 1.00 0.36 H new ATOM 0 HB3 CYS A 41 -1.884 -0.898 3.662 1.00 0.36 H new ATOM 0 HG CYS A 41 0.600 -0.710 2.336 1.00 0.63 H new ATOM 700 N TYR A 42 -4.674 -0.324 1.118 1.00 0.27 N ATOM 701 CA TYR A 42 -5.426 0.258 0.014 1.00 0.26 C ATOM 702 C TYR A 42 -5.250 1.778 -0.029 1.00 0.24 C ATOM 703 O TYR A 42 -5.453 2.464 0.972 1.00 0.26 O ATOM 704 CB TYR A 42 -6.909 -0.113 0.169 1.00 0.26 C ATOM 705 CG TYR A 42 -7.874 0.774 -0.589 1.00 0.27 C ATOM 706 CD1 TYR A 42 -8.094 0.600 -1.950 1.00 0.39 C ATOM 707 CD2 TYR A 42 -8.568 1.785 0.064 1.00 0.28 C ATOM 708 CE1 TYR A 42 -8.977 1.410 -2.638 1.00 0.43 C ATOM 709 CE2 TYR A 42 -9.450 2.599 -0.615 1.00 0.36 C ATOM 710 CZ TYR A 42 -9.652 2.408 -1.967 1.00 0.39 C ATOM 711 OH TYR A 42 -10.532 3.217 -2.649 1.00 0.47 O ATOM 0 H TYR A 42 -4.881 0.086 2.029 1.00 0.27 H new ATOM 0 HA TYR A 42 -5.047 -0.141 -0.927 1.00 0.26 H new ATOM 0 HB2 TYR A 42 -7.047 -1.142 -0.164 1.00 0.26 H new ATOM 0 HB3 TYR A 42 -7.167 -0.083 1.228 1.00 0.26 H new ATOM 0 HD1 TYR A 42 -7.567 -0.181 -2.478 1.00 0.39 H new ATOM 0 HD2 TYR A 42 -8.414 1.936 1.122 1.00 0.28 H new ATOM 0 HE1 TYR A 42 -9.138 1.262 -3.696 1.00 0.43 H new ATOM 0 HE2 TYR A 42 -9.980 3.381 -0.092 1.00 0.36 H new ATOM 0 HH TYR A 42 -10.925 3.868 -2.030 1.00 0.47 H new ATOM 721 N ILE A 43 -4.902 2.298 -1.203 1.00 0.23 N ATOM 722 CA ILE A 43 -4.721 3.736 -1.380 1.00 0.24 C ATOM 723 C ILE A 43 -6.063 4.441 -1.555 1.00 0.27 C ATOM 724 O ILE A 43 -6.936 3.968 -2.282 1.00 0.35 O ATOM 725 CB ILE A 43 -3.833 4.048 -2.604 1.00 0.25 C ATOM 726 CG1 ILE A 43 -2.455 3.389 -2.452 1.00 0.26 C ATOM 727 CG2 ILE A 43 -3.700 5.555 -2.808 1.00 0.29 C ATOM 728 CD1 ILE A 43 -1.485 4.170 -1.587 1.00 1.07 C ATOM 0 H ILE A 43 -4.740 1.746 -2.045 1.00 0.23 H new ATOM 0 HA ILE A 43 -4.230 4.104 -0.479 1.00 0.24 H new ATOM 0 HB ILE A 43 -4.312 3.632 -3.490 1.00 0.25 H new ATOM 0 HG12 ILE A 43 -2.585 2.394 -2.025 1.00 0.26 H new ATOM 0 HG13 ILE A 43 -2.017 3.257 -3.441 1.00 0.26 H new ATOM 0 HG21 ILE A 43 -3.070 5.750 -3.676 1.00 0.29 H new ATOM 0 HG22 ILE A 43 -4.687 5.989 -2.971 1.00 0.29 H new ATOM 0 HG23 ILE A 43 -3.248 6.003 -1.923 1.00 0.29 H new ATOM 0 HD11 ILE A 43 -0.536 3.636 -1.531 1.00 1.07 H new ATOM 0 HD12 ILE A 43 -1.322 5.156 -2.022 1.00 1.07 H new ATOM 0 HD13 ILE A 43 -1.899 4.280 -0.585 1.00 1.07 H new ATOM 740 N LEU A 44 -6.200 5.596 -0.915 1.00 0.26 N ATOM 741 CA LEU A 44 -7.424 6.384 -1.009 1.00 0.29 C ATOM 742 C LEU A 44 -7.148 7.780 -1.571 1.00 0.26 C ATOM 743 O LEU A 44 -8.064 8.464 -2.026 1.00 0.35 O ATOM 744 CB LEU A 44 -8.084 6.504 0.364 1.00 0.37 C ATOM 745 CG LEU A 44 -9.325 7.399 0.406 1.00 0.41 C ATOM 746 CD1 LEU A 44 -10.352 6.933 -0.613 1.00 0.90 C ATOM 747 CD2 LEU A 44 -9.927 7.413 1.803 1.00 0.69 C ATOM 0 H LEU A 44 -5.478 6.009 -0.324 1.00 0.26 H new ATOM 0 HA LEU A 44 -8.098 5.867 -1.692 1.00 0.29 H new ATOM 0 HB2 LEU A 44 -8.361 5.507 0.706 1.00 0.37 H new ATOM 0 HB3 LEU A 44 -7.350 6.891 1.071 1.00 0.37 H new ATOM 0 HG LEU A 44 -9.025 8.416 0.152 1.00 0.41 H new ATOM 0 HD11 LEU A 44 -11.228 7.581 -0.569 1.00 0.90 H new ATOM 0 HD12 LEU A 44 -9.919 6.976 -1.612 1.00 0.90 H new ATOM 0 HD13 LEU A 44 -10.647 5.908 -0.389 1.00 0.90 H new ATOM 0 HD21 LEU A 44 -10.808 8.055 1.813 1.00 0.69 H new ATOM 0 HD22 LEU A 44 -10.212 6.400 2.086 1.00 0.69 H new ATOM 0 HD23 LEU A 44 -9.192 7.795 2.512 1.00 0.69 H new ATOM 759 N GLU A 45 -5.884 8.201 -1.534 1.00 0.22 N ATOM 760 CA GLU A 45 -5.502 9.516 -2.033 1.00 0.23 C ATOM 761 C GLU A 45 -4.014 9.769 -1.807 1.00 0.23 C ATOM 762 O GLU A 45 -3.593 10.110 -0.702 1.00 0.38 O ATOM 763 CB GLU A 45 -6.335 10.602 -1.342 1.00 0.29 C ATOM 764 CG GLU A 45 -5.847 12.018 -1.608 1.00 0.52 C ATOM 765 CD GLU A 45 -6.955 13.047 -1.499 1.00 0.80 C ATOM 766 OE1 GLU A 45 -8.094 12.739 -1.909 1.00 1.44 O ATOM 767 OE2 GLU A 45 -6.686 14.161 -1.002 1.00 1.12 O ATOM 0 H GLU A 45 -5.110 7.649 -1.164 1.00 0.22 H new ATOM 0 HA GLU A 45 -5.695 9.548 -3.105 1.00 0.23 H new ATOM 0 HB2 GLU A 45 -7.370 10.517 -1.673 1.00 0.29 H new ATOM 0 HB3 GLU A 45 -6.328 10.422 -0.267 1.00 0.29 H new ATOM 0 HG2 GLU A 45 -5.056 12.265 -0.900 1.00 0.52 H new ATOM 0 HG3 GLU A 45 -5.409 12.066 -2.605 1.00 0.52 H new ATOM 774 N GLY A 46 -3.221 9.601 -2.863 1.00 0.18 N ATOM 775 CA GLY A 46 -1.791 9.818 -2.754 1.00 0.21 C ATOM 776 C GLY A 46 -1.008 9.116 -3.848 1.00 0.19 C ATOM 777 O GLY A 46 -1.574 8.367 -4.643 1.00 0.25 O ATOM 0 H GLY A 46 -3.544 9.319 -3.789 1.00 0.18 H new ATOM 0 HA2 GLY A 46 -1.586 10.888 -2.795 1.00 0.21 H new ATOM 0 HA3 GLY A 46 -1.447 9.464 -1.782 1.00 0.21 H new ATOM 781 N LYS A 47 0.298 9.359 -3.881 1.00 0.23 N ATOM 782 CA LYS A 47 1.170 8.749 -4.879 1.00 0.29 C ATOM 783 C LYS A 47 2.456 8.240 -4.235 1.00 0.25 C ATOM 784 O LYS A 47 3.201 9.008 -3.626 1.00 0.24 O ATOM 785 CB LYS A 47 1.506 9.759 -5.978 1.00 0.41 C ATOM 786 CG LYS A 47 1.132 9.289 -7.373 1.00 0.57 C ATOM 787 CD LYS A 47 2.208 9.641 -8.388 1.00 1.12 C ATOM 788 CE LYS A 47 3.388 8.687 -8.301 1.00 0.50 C ATOM 789 NZ LYS A 47 3.036 7.323 -8.782 1.00 1.10 N ATOM 0 H LYS A 47 0.777 9.976 -3.226 1.00 0.23 H new ATOM 0 HA LYS A 47 0.642 7.903 -5.320 1.00 0.29 H new ATOM 0 HB2 LYS A 47 0.989 10.696 -5.769 1.00 0.41 H new ATOM 0 HB3 LYS A 47 2.575 9.971 -5.950 1.00 0.41 H new ATOM 0 HG2 LYS A 47 0.977 8.210 -7.365 1.00 0.57 H new ATOM 0 HG3 LYS A 47 0.187 9.744 -7.670 1.00 0.57 H new ATOM 0 HD2 LYS A 47 1.786 9.610 -9.393 1.00 1.12 H new ATOM 0 HD3 LYS A 47 2.550 10.662 -8.218 1.00 1.12 H new ATOM 0 HE2 LYS A 47 4.215 9.078 -8.893 1.00 0.50 H new ATOM 0 HE3 LYS A 47 3.733 8.630 -7.269 1.00 0.50 H new ATOM 0 HZ1 LYS A 47 3.906 6.795 -8.996 1.00 1.10 H new ATOM 0 HZ2 LYS A 47 2.500 6.822 -8.045 1.00 1.10 H new ATOM 0 HZ3 LYS A 47 2.456 7.397 -9.642 1.00 1.10 H new ATOM 803 N VAL A 48 2.716 6.945 -4.380 1.00 0.31 N ATOM 804 CA VAL A 48 3.910 6.340 -3.803 1.00 0.32 C ATOM 805 C VAL A 48 4.632 5.458 -4.821 1.00 0.30 C ATOM 806 O VAL A 48 4.025 4.600 -5.462 1.00 0.34 O ATOM 807 CB VAL A 48 3.559 5.513 -2.541 1.00 0.39 C ATOM 808 CG1 VAL A 48 4.732 4.648 -2.083 1.00 0.52 C ATOM 809 CG2 VAL A 48 3.117 6.437 -1.418 1.00 0.64 C ATOM 0 H VAL A 48 2.117 6.296 -4.891 1.00 0.31 H new ATOM 0 HA VAL A 48 4.578 7.151 -3.515 1.00 0.32 H new ATOM 0 HB VAL A 48 2.740 4.843 -2.802 1.00 0.39 H new ATOM 0 HG11 VAL A 48 4.444 4.084 -1.196 1.00 0.52 H new ATOM 0 HG12 VAL A 48 5.006 3.956 -2.879 1.00 0.52 H new ATOM 0 HG13 VAL A 48 5.584 5.286 -1.847 1.00 0.52 H new ATOM 0 HG21 VAL A 48 2.872 5.846 -0.535 1.00 0.64 H new ATOM 0 HG22 VAL A 48 3.923 7.130 -1.179 1.00 0.64 H new ATOM 0 HG23 VAL A 48 2.238 6.998 -1.734 1.00 0.64 H new ATOM 819 N GLU A 49 5.940 5.661 -4.931 1.00 0.31 N ATOM 820 CA GLU A 49 6.769 4.862 -5.823 1.00 0.30 C ATOM 821 C GLU A 49 7.667 3.942 -5.006 1.00 0.30 C ATOM 822 O GLU A 49 8.557 4.404 -4.290 1.00 0.36 O ATOM 823 CB GLU A 49 7.613 5.767 -6.724 1.00 0.36 C ATOM 824 CG GLU A 49 6.826 6.907 -7.350 1.00 0.38 C ATOM 825 CD GLU A 49 7.720 7.960 -7.975 1.00 0.51 C ATOM 826 OE1 GLU A 49 8.259 8.803 -7.225 1.00 0.96 O ATOM 827 OE2 GLU A 49 7.883 7.943 -9.213 1.00 0.75 O ATOM 0 H GLU A 49 6.450 6.375 -4.411 1.00 0.31 H new ATOM 0 HA GLU A 49 6.122 4.256 -6.457 1.00 0.30 H new ATOM 0 HB2 GLU A 49 8.435 6.182 -6.141 1.00 0.36 H new ATOM 0 HB3 GLU A 49 8.057 5.165 -7.517 1.00 0.36 H new ATOM 0 HG2 GLU A 49 6.157 6.506 -8.111 1.00 0.38 H new ATOM 0 HG3 GLU A 49 6.200 7.373 -6.588 1.00 0.38 H new ATOM 834 N VAL A 50 7.412 2.642 -5.093 1.00 0.26 N ATOM 835 CA VAL A 50 8.162 1.665 -4.312 1.00 0.28 C ATOM 836 C VAL A 50 9.222 0.959 -5.150 1.00 0.26 C ATOM 837 O VAL A 50 8.944 0.477 -6.245 1.00 0.21 O ATOM 838 CB VAL A 50 7.220 0.604 -3.703 1.00 0.29 C ATOM 839 CG1 VAL A 50 8.006 -0.459 -2.946 1.00 0.35 C ATOM 840 CG2 VAL A 50 6.193 1.261 -2.796 1.00 0.33 C ATOM 0 H VAL A 50 6.693 2.240 -5.695 1.00 0.26 H new ATOM 0 HA VAL A 50 8.657 2.219 -3.515 1.00 0.28 H new ATOM 0 HB VAL A 50 6.694 0.111 -4.520 1.00 0.29 H new ATOM 0 HG11 VAL A 50 7.317 -1.193 -2.528 1.00 0.35 H new ATOM 0 HG12 VAL A 50 8.696 -0.956 -3.628 1.00 0.35 H new ATOM 0 HG13 VAL A 50 8.569 0.010 -2.139 1.00 0.35 H new ATOM 0 HG21 VAL A 50 5.538 0.498 -2.376 1.00 0.33 H new ATOM 0 HG22 VAL A 50 6.704 1.786 -1.988 1.00 0.33 H new ATOM 0 HG23 VAL A 50 5.600 1.971 -3.372 1.00 0.33 H new ATOM 850 N THR A 51 10.434 0.890 -4.608 1.00 0.32 N ATOM 851 CA THR A 51 11.528 0.183 -5.261 1.00 0.33 C ATOM 852 C THR A 51 12.154 -0.817 -4.293 1.00 0.37 C ATOM 853 O THR A 51 12.734 -0.429 -3.280 1.00 0.44 O ATOM 854 CB THR A 51 12.589 1.166 -5.756 1.00 0.40 C ATOM 855 OG1 THR A 51 12.003 2.169 -6.568 1.00 0.49 O ATOM 856 CG2 THR A 51 13.684 0.502 -6.560 1.00 0.42 C ATOM 0 H THR A 51 10.683 1.317 -3.716 1.00 0.32 H new ATOM 0 HA THR A 51 11.127 -0.353 -6.121 1.00 0.33 H new ATOM 0 HB THR A 51 13.030 1.597 -4.857 1.00 0.40 H new ATOM 0 HG1 THR A 51 12.697 2.789 -6.874 1.00 0.49 H new ATOM 0 HG21 THR A 51 14.405 1.253 -6.882 1.00 0.42 H new ATOM 0 HG22 THR A 51 14.187 -0.243 -5.944 1.00 0.42 H new ATOM 0 HG23 THR A 51 13.250 0.017 -7.434 1.00 0.42 H new ATOM 864 N THR A 52 12.035 -2.101 -4.610 1.00 0.33 N ATOM 865 CA THR A 52 12.574 -3.148 -3.749 1.00 0.39 C ATOM 866 C THR A 52 14.041 -3.420 -4.055 1.00 0.42 C ATOM 867 O THR A 52 14.497 -3.231 -5.183 1.00 0.42 O ATOM 868 CB THR A 52 11.764 -4.434 -3.909 1.00 0.37 C ATOM 869 OG1 THR A 52 12.098 -5.088 -5.122 1.00 0.39 O ATOM 870 CG2 THR A 52 10.270 -4.205 -3.905 1.00 0.36 C ATOM 0 H THR A 52 11.572 -2.442 -5.453 1.00 0.33 H new ATOM 0 HA THR A 52 12.501 -2.800 -2.719 1.00 0.39 H new ATOM 0 HB THR A 52 12.021 -5.048 -3.046 1.00 0.37 H new ATOM 0 HG1 THR A 52 12.296 -6.031 -4.942 1.00 0.39 H new ATOM 0 HG21 THR A 52 9.755 -5.159 -4.022 1.00 0.36 H new ATOM 0 HG22 THR A 52 9.975 -3.747 -2.961 1.00 0.36 H new ATOM 0 HG23 THR A 52 10.001 -3.544 -4.729 1.00 0.36 H new ATOM 878 N GLU A 53 14.773 -3.874 -3.042 1.00 0.59 N ATOM 879 CA GLU A 53 16.189 -4.185 -3.201 1.00 0.65 C ATOM 880 C GLU A 53 16.388 -5.293 -4.230 1.00 0.55 C ATOM 881 O GLU A 53 17.372 -5.299 -4.969 1.00 0.52 O ATOM 882 CB GLU A 53 16.796 -4.601 -1.859 1.00 0.79 C ATOM 883 CG GLU A 53 16.366 -5.983 -1.393 1.00 1.21 C ATOM 884 CD GLU A 53 14.925 -6.019 -0.922 1.00 2.08 C ATOM 885 OE1 GLU A 53 14.023 -6.122 -1.780 1.00 2.77 O ATOM 886 OE2 GLU A 53 14.699 -5.942 0.303 1.00 2.47 O ATOM 0 H GLU A 53 14.409 -4.035 -2.103 1.00 0.59 H new ATOM 0 HA GLU A 53 16.696 -3.288 -3.557 1.00 0.65 H new ATOM 0 HB2 GLU A 53 17.883 -4.577 -1.939 1.00 0.79 H new ATOM 0 HB3 GLU A 53 16.516 -3.869 -1.102 1.00 0.79 H new ATOM 0 HG2 GLU A 53 16.495 -6.694 -2.209 1.00 1.21 H new ATOM 0 HG3 GLU A 53 17.018 -6.308 -0.582 1.00 1.21 H new ATOM 893 N ASP A 54 15.445 -6.230 -4.271 1.00 0.52 N ATOM 894 CA ASP A 54 15.514 -7.342 -5.212 1.00 0.46 C ATOM 895 C ASP A 54 15.606 -6.834 -6.644 1.00 0.38 C ATOM 896 O ASP A 54 16.219 -7.470 -7.503 1.00 0.39 O ATOM 897 CB ASP A 54 14.288 -8.245 -5.058 1.00 0.49 C ATOM 898 CG ASP A 54 14.591 -9.693 -5.389 1.00 1.10 C ATOM 899 OD1 ASP A 54 15.406 -10.308 -4.672 1.00 1.43 O ATOM 900 OD2 ASP A 54 14.014 -10.211 -6.370 1.00 1.88 O ATOM 0 H ASP A 54 14.625 -6.241 -3.664 1.00 0.52 H new ATOM 0 HA ASP A 54 16.412 -7.919 -4.990 1.00 0.46 H new ATOM 0 HB2 ASP A 54 13.918 -8.179 -4.035 1.00 0.49 H new ATOM 0 HB3 ASP A 54 13.491 -7.885 -5.709 1.00 0.49 H new ATOM 905 N GLY A 55 14.997 -5.680 -6.896 1.00 0.35 N ATOM 906 CA GLY A 55 15.028 -5.098 -8.224 1.00 0.33 C ATOM 907 C GLY A 55 13.645 -4.937 -8.824 1.00 0.31 C ATOM 908 O GLY A 55 13.491 -4.892 -10.044 1.00 0.40 O ATOM 0 H GLY A 55 14.482 -5.137 -6.203 1.00 0.35 H new ATOM 0 HA2 GLY A 55 15.515 -4.124 -8.178 1.00 0.33 H new ATOM 0 HA3 GLY A 55 15.632 -5.727 -8.878 1.00 0.33 H new ATOM 912 N LYS A 56 12.635 -4.847 -7.964 1.00 0.26 N ATOM 913 CA LYS A 56 11.258 -4.685 -8.417 1.00 0.25 C ATOM 914 C LYS A 56 10.781 -3.258 -8.184 1.00 0.24 C ATOM 915 O LYS A 56 11.522 -2.420 -7.669 1.00 0.26 O ATOM 916 CB LYS A 56 10.338 -5.669 -7.689 1.00 0.26 C ATOM 917 CG LYS A 56 11.000 -6.999 -7.363 1.00 0.37 C ATOM 918 CD LYS A 56 11.116 -7.879 -8.597 1.00 0.81 C ATOM 919 CE LYS A 56 12.239 -8.893 -8.453 1.00 0.86 C ATOM 920 NZ LYS A 56 11.749 -10.291 -8.602 1.00 1.72 N ATOM 0 H LYS A 56 12.744 -4.883 -6.951 1.00 0.26 H new ATOM 0 HA LYS A 56 11.224 -4.894 -9.486 1.00 0.25 H new ATOM 0 HB2 LYS A 56 9.990 -5.210 -6.764 1.00 0.26 H new ATOM 0 HB3 LYS A 56 9.458 -5.853 -8.305 1.00 0.26 H new ATOM 0 HG2 LYS A 56 11.992 -6.821 -6.947 1.00 0.37 H new ATOM 0 HG3 LYS A 56 10.422 -7.517 -6.598 1.00 0.37 H new ATOM 0 HD2 LYS A 56 10.173 -8.400 -8.764 1.00 0.81 H new ATOM 0 HD3 LYS A 56 11.296 -7.257 -9.474 1.00 0.81 H new ATOM 0 HE2 LYS A 56 13.005 -8.695 -9.203 1.00 0.86 H new ATOM 0 HE3 LYS A 56 12.711 -8.776 -7.477 1.00 0.86 H new ATOM 0 HZ1 LYS A 56 12.546 -10.951 -8.497 1.00 1.72 H new ATOM 0 HZ2 LYS A 56 11.037 -10.489 -7.871 1.00 1.72 H new ATOM 0 HZ3 LYS A 56 11.322 -10.411 -9.543 1.00 1.72 H new ATOM 934 N LYS A 57 9.543 -2.981 -8.578 1.00 0.24 N ATOM 935 CA LYS A 57 8.970 -1.654 -8.408 1.00 0.23 C ATOM 936 C LYS A 57 7.447 -1.717 -8.374 1.00 0.26 C ATOM 937 O LYS A 57 6.822 -2.305 -9.255 1.00 0.36 O ATOM 938 CB LYS A 57 9.427 -0.730 -9.538 1.00 0.29 C ATOM 939 CG LYS A 57 10.068 0.558 -9.048 1.00 0.54 C ATOM 940 CD LYS A 57 10.727 1.319 -10.186 1.00 0.73 C ATOM 941 CE LYS A 57 12.179 0.906 -10.364 1.00 0.67 C ATOM 942 NZ LYS A 57 12.721 1.327 -11.685 1.00 1.32 N ATOM 0 H LYS A 57 8.919 -3.658 -9.017 1.00 0.24 H new ATOM 0 HA LYS A 57 9.320 -1.255 -7.456 1.00 0.23 H new ATOM 0 HB2 LYS A 57 10.139 -1.264 -10.167 1.00 0.29 H new ATOM 0 HB3 LYS A 57 8.570 -0.484 -10.164 1.00 0.29 H new ATOM 0 HG2 LYS A 57 9.311 1.187 -8.578 1.00 0.54 H new ATOM 0 HG3 LYS A 57 10.811 0.328 -8.284 1.00 0.54 H new ATOM 0 HD2 LYS A 57 10.180 1.138 -11.111 1.00 0.73 H new ATOM 0 HD3 LYS A 57 10.674 2.390 -9.988 1.00 0.73 H new ATOM 0 HE2 LYS A 57 12.781 1.345 -9.569 1.00 0.67 H new ATOM 0 HE3 LYS A 57 12.263 -0.176 -10.266 1.00 0.67 H new ATOM 0 HZ1 LYS A 57 13.713 1.026 -11.765 1.00 1.32 H new ATOM 0 HZ2 LYS A 57 12.163 0.888 -12.445 1.00 1.32 H new ATOM 0 HZ3 LYS A 57 12.666 2.362 -11.769 1.00 1.32 H new ATOM 956 N TYR A 58 6.855 -1.105 -7.354 1.00 0.23 N ATOM 957 CA TYR A 58 5.404 -1.091 -7.217 1.00 0.28 C ATOM 958 C TYR A 58 4.872 0.334 -7.178 1.00 0.23 C ATOM 959 O TYR A 58 5.093 1.064 -6.212 1.00 0.23 O ATOM 960 CB TYR A 58 4.971 -1.828 -5.946 1.00 0.37 C ATOM 961 CG TYR A 58 5.884 -2.961 -5.544 1.00 0.39 C ATOM 962 CD1 TYR A 58 6.092 -4.047 -6.385 1.00 0.43 C ATOM 963 CD2 TYR A 58 6.530 -2.948 -4.316 1.00 0.40 C ATOM 964 CE1 TYR A 58 6.921 -5.088 -6.012 1.00 0.47 C ATOM 965 CE2 TYR A 58 7.359 -3.985 -3.935 1.00 0.44 C ATOM 966 CZ TYR A 58 7.553 -5.052 -4.786 1.00 0.46 C ATOM 967 OH TYR A 58 8.381 -6.086 -4.413 1.00 0.51 O ATOM 0 H TYR A 58 7.355 -0.614 -6.613 1.00 0.23 H new ATOM 0 HA TYR A 58 4.989 -1.600 -8.087 1.00 0.28 H new ATOM 0 HB2 TYR A 58 4.916 -1.112 -5.126 1.00 0.37 H new ATOM 0 HB3 TYR A 58 3.965 -2.222 -6.093 1.00 0.37 H new ATOM 0 HD1 TYR A 58 5.598 -4.078 -7.345 1.00 0.43 H new ATOM 0 HD2 TYR A 58 6.382 -2.113 -3.647 1.00 0.40 H new ATOM 0 HE1 TYR A 58 7.073 -5.925 -6.677 1.00 0.47 H new ATOM 0 HE2 TYR A 58 7.853 -3.960 -2.975 1.00 0.44 H new ATOM 0 HH TYR A 58 8.789 -6.482 -5.211 1.00 0.51 H new ATOM 977 N VAL A 59 4.150 0.721 -8.223 1.00 0.27 N ATOM 978 CA VAL A 59 3.552 2.045 -8.282 1.00 0.26 C ATOM 979 C VAL A 59 2.069 1.971 -7.937 1.00 0.28 C ATOM 980 O VAL A 59 1.286 1.345 -8.652 1.00 0.37 O ATOM 981 CB VAL A 59 3.721 2.688 -9.670 1.00 0.37 C ATOM 982 CG1 VAL A 59 5.171 3.090 -9.899 1.00 1.24 C ATOM 983 CG2 VAL A 59 3.245 1.743 -10.763 1.00 0.47 C ATOM 0 H VAL A 59 3.966 0.137 -9.038 1.00 0.27 H new ATOM 0 HA VAL A 59 4.071 2.667 -7.553 1.00 0.26 H new ATOM 0 HB VAL A 59 3.106 3.587 -9.708 1.00 0.37 H new ATOM 0 HG11 VAL A 59 5.272 3.543 -10.885 1.00 1.24 H new ATOM 0 HG12 VAL A 59 5.474 3.808 -9.137 1.00 1.24 H new ATOM 0 HG13 VAL A 59 5.807 2.207 -9.839 1.00 1.24 H new ATOM 0 HG21 VAL A 59 3.373 2.218 -11.736 1.00 0.47 H new ATOM 0 HG22 VAL A 59 3.829 0.823 -10.728 1.00 0.47 H new ATOM 0 HG23 VAL A 59 2.191 1.510 -10.609 1.00 0.47 H new ATOM 993 N ILE A 60 1.693 2.600 -6.830 1.00 0.27 N ATOM 994 CA ILE A 60 0.309 2.578 -6.378 1.00 0.33 C ATOM 995 C ILE A 60 -0.208 3.986 -6.108 1.00 0.29 C ATOM 996 O ILE A 60 0.310 4.691 -5.243 1.00 0.40 O ATOM 997 CB ILE A 60 0.160 1.736 -5.097 1.00 0.42 C ATOM 998 CG1 ILE A 60 1.217 2.144 -4.069 1.00 0.43 C ATOM 999 CG2 ILE A 60 0.283 0.257 -5.419 1.00 0.52 C ATOM 1000 CD1 ILE A 60 0.733 2.060 -2.639 1.00 0.94 C ATOM 0 H ILE A 60 2.326 3.130 -6.231 1.00 0.27 H new ATOM 0 HA ILE A 60 -0.280 2.129 -7.178 1.00 0.33 H new ATOM 0 HB ILE A 60 -0.828 1.919 -4.674 1.00 0.42 H new ATOM 0 HG12 ILE A 60 2.092 1.504 -4.186 1.00 0.43 H new ATOM 0 HG13 ILE A 60 1.538 3.165 -4.276 1.00 0.43 H new ATOM 0 HG21 ILE A 60 0.176 -0.325 -4.504 1.00 0.52 H new ATOM 0 HG22 ILE A 60 -0.498 -0.028 -6.124 1.00 0.52 H new ATOM 0 HG23 ILE A 60 1.260 0.061 -5.861 1.00 0.52 H new ATOM 0 HD11 ILE A 60 1.534 2.364 -1.965 1.00 0.94 H new ATOM 0 HD12 ILE A 60 -0.123 2.721 -2.505 1.00 0.94 H new ATOM 0 HD13 ILE A 60 0.439 1.035 -2.414 1.00 0.94 H new ATOM 1012 N GLU A 61 -1.230 4.391 -6.853 1.00 0.26 N ATOM 1013 CA GLU A 61 -1.805 5.718 -6.687 1.00 0.24 C ATOM 1014 C GLU A 61 -3.326 5.690 -6.752 1.00 0.23 C ATOM 1015 O GLU A 61 -3.909 5.140 -7.686 1.00 0.41 O ATOM 1016 CB GLU A 61 -1.262 6.667 -7.756 1.00 0.39 C ATOM 1017 CG GLU A 61 -1.772 8.090 -7.612 1.00 0.41 C ATOM 1018 CD GLU A 61 -1.677 8.876 -8.906 1.00 0.47 C ATOM 1019 OE1 GLU A 61 -1.266 8.287 -9.929 1.00 0.57 O ATOM 1020 OE2 GLU A 61 -2.009 10.079 -8.896 1.00 0.79 O ATOM 0 H GLU A 61 -1.675 3.822 -7.574 1.00 0.26 H new ATOM 0 HA GLU A 61 -1.518 6.075 -5.698 1.00 0.24 H new ATOM 0 HB2 GLU A 61 -0.173 6.672 -7.708 1.00 0.39 H new ATOM 0 HB3 GLU A 61 -1.536 6.288 -8.741 1.00 0.39 H new ATOM 0 HG2 GLU A 61 -2.810 8.068 -7.279 1.00 0.41 H new ATOM 0 HG3 GLU A 61 -1.200 8.601 -6.838 1.00 0.41 H new ATOM 1027 N LYS A 62 -3.953 6.316 -5.763 1.00 0.19 N ATOM 1028 CA LYS A 62 -5.406 6.432 -5.705 1.00 0.25 C ATOM 1029 C LYS A 62 -6.121 5.109 -5.961 1.00 0.28 C ATOM 1030 O LYS A 62 -6.177 4.623 -7.090 1.00 0.41 O ATOM 1031 CB LYS A 62 -5.886 7.482 -6.708 1.00 0.40 C ATOM 1032 CG LYS A 62 -6.551 8.684 -6.057 1.00 0.50 C ATOM 1033 CD LYS A 62 -7.549 8.260 -4.992 1.00 0.57 C ATOM 1034 CE LYS A 62 -8.899 8.917 -5.208 1.00 0.97 C ATOM 1035 NZ LYS A 62 -9.990 8.196 -4.496 1.00 0.82 N ATOM 0 H LYS A 62 -3.470 6.757 -4.980 1.00 0.19 H new ATOM 0 HA LYS A 62 -5.657 6.738 -4.689 1.00 0.25 H new ATOM 0 HB2 LYS A 62 -5.036 7.823 -7.299 1.00 0.40 H new ATOM 0 HB3 LYS A 62 -6.590 7.018 -7.399 1.00 0.40 H new ATOM 0 HG2 LYS A 62 -5.790 9.324 -5.610 1.00 0.50 H new ATOM 0 HG3 LYS A 62 -7.059 9.276 -6.818 1.00 0.50 H new ATOM 0 HD2 LYS A 62 -7.663 7.176 -5.009 1.00 0.57 H new ATOM 0 HD3 LYS A 62 -7.167 8.525 -4.006 1.00 0.57 H new ATOM 0 HE2 LYS A 62 -8.860 9.949 -4.861 1.00 0.97 H new ATOM 0 HE3 LYS A 62 -9.121 8.948 -6.275 1.00 0.97 H new ATOM 0 HZ1 LYS A 62 -10.860 8.765 -4.527 1.00 0.82 H new ATOM 0 HZ2 LYS A 62 -10.159 7.279 -4.957 1.00 0.82 H new ATOM 0 HZ3 LYS A 62 -9.714 8.040 -3.506 1.00 0.82 H new ATOM 1049 N GLY A 63 -6.740 4.579 -4.913 1.00 0.30 N ATOM 1050 CA GLY A 63 -7.510 3.354 -5.037 1.00 0.39 C ATOM 1051 C GLY A 63 -6.731 2.215 -5.661 1.00 0.39 C ATOM 1052 O GLY A 63 -7.085 1.726 -6.734 1.00 0.68 O ATOM 0 H GLY A 63 -6.723 4.978 -3.974 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -7.856 3.050 -4.049 1.00 0.39 H new ATOM 0 HA3 GLY A 63 -8.397 3.550 -5.639 1.00 0.39 H new ATOM 1056 N ASP A 64 -5.678 1.782 -4.981 1.00 0.33 N ATOM 1057 CA ASP A 64 -4.864 0.673 -5.461 1.00 0.35 C ATOM 1058 C ASP A 64 -4.319 -0.140 -4.296 1.00 0.32 C ATOM 1059 O ASP A 64 -3.650 0.395 -3.412 1.00 0.49 O ATOM 1060 CB ASP A 64 -3.708 1.191 -6.320 1.00 0.41 C ATOM 1061 CG ASP A 64 -2.972 0.075 -7.036 1.00 1.12 C ATOM 1062 OD1 ASP A 64 -2.799 -1.006 -6.433 1.00 2.00 O ATOM 1063 OD2 ASP A 64 -2.565 0.283 -8.198 1.00 1.51 O ATOM 0 H ASP A 64 -5.367 2.182 -4.095 1.00 0.33 H new ATOM 0 HA ASP A 64 -5.497 0.028 -6.070 1.00 0.35 H new ATOM 0 HB2 ASP A 64 -4.094 1.898 -7.055 1.00 0.41 H new ATOM 0 HB3 ASP A 64 -3.007 1.738 -5.689 1.00 0.41 H new ATOM 1068 N LEU A 65 -4.607 -1.435 -4.300 1.00 0.29 N ATOM 1069 CA LEU A 65 -4.133 -2.317 -3.245 1.00 0.26 C ATOM 1070 C LEU A 65 -3.069 -3.273 -3.772 1.00 0.24 C ATOM 1071 O LEU A 65 -3.157 -3.761 -4.899 1.00 0.27 O ATOM 1072 CB LEU A 65 -5.290 -3.109 -2.630 1.00 0.31 C ATOM 1073 CG LEU A 65 -6.543 -3.242 -3.495 1.00 0.53 C ATOM 1074 CD1 LEU A 65 -6.255 -4.093 -4.722 1.00 0.37 C ATOM 1075 CD2 LEU A 65 -7.677 -3.845 -2.679 1.00 0.47 C ATOM 0 H LEU A 65 -5.164 -1.895 -5.020 1.00 0.29 H new ATOM 0 HA LEU A 65 -3.688 -1.693 -2.469 1.00 0.26 H new ATOM 0 HB2 LEU A 65 -4.932 -4.109 -2.388 1.00 0.31 H new ATOM 0 HB3 LEU A 65 -5.570 -2.634 -1.690 1.00 0.31 H new ATOM 0 HG LEU A 65 -6.844 -2.250 -3.832 1.00 0.53 H new ATOM 0 HD11 LEU A 65 -7.158 -4.177 -5.327 1.00 0.37 H new ATOM 0 HD12 LEU A 65 -5.466 -3.626 -5.312 1.00 0.37 H new ATOM 0 HD13 LEU A 65 -5.934 -5.086 -4.409 1.00 0.37 H new ATOM 0 HD21 LEU A 65 -8.566 -3.936 -3.303 1.00 0.47 H new ATOM 0 HD22 LEU A 65 -7.383 -4.831 -2.320 1.00 0.47 H new ATOM 0 HD23 LEU A 65 -7.896 -3.200 -1.828 1.00 0.47 H new ATOM 1087 N VAL A 66 -2.062 -3.532 -2.947 1.00 0.22 N ATOM 1088 CA VAL A 66 -0.965 -4.414 -3.323 1.00 0.24 C ATOM 1089 C VAL A 66 -0.646 -5.406 -2.209 1.00 0.22 C ATOM 1090 O VAL A 66 -0.843 -5.116 -1.028 1.00 0.24 O ATOM 1091 CB VAL A 66 0.306 -3.611 -3.659 1.00 0.29 C ATOM 1092 CG1 VAL A 66 1.457 -4.541 -4.007 1.00 0.54 C ATOM 1093 CG2 VAL A 66 0.038 -2.643 -4.798 1.00 0.30 C ATOM 0 H VAL A 66 -1.983 -3.141 -2.008 1.00 0.22 H new ATOM 0 HA VAL A 66 -1.288 -4.961 -4.208 1.00 0.24 H new ATOM 0 HB VAL A 66 0.589 -3.036 -2.777 1.00 0.29 H new ATOM 0 HG11 VAL A 66 2.343 -3.951 -4.241 1.00 0.54 H new ATOM 0 HG12 VAL A 66 1.668 -5.192 -3.159 1.00 0.54 H new ATOM 0 HG13 VAL A 66 1.186 -5.147 -4.872 1.00 0.54 H new ATOM 0 HG21 VAL A 66 0.947 -2.084 -5.022 1.00 0.30 H new ATOM 0 HG22 VAL A 66 -0.273 -3.199 -5.682 1.00 0.30 H new ATOM 0 HG23 VAL A 66 -0.752 -1.950 -4.508 1.00 0.30 H new ATOM 1103 N THR A 67 -0.147 -6.576 -2.595 1.00 0.24 N ATOM 1104 CA THR A 67 0.230 -7.604 -1.635 1.00 0.24 C ATOM 1105 C THR A 67 1.743 -7.651 -1.470 1.00 0.27 C ATOM 1106 O THR A 67 2.485 -7.308 -2.387 1.00 0.32 O ATOM 1107 CB THR A 67 -0.279 -8.974 -2.090 1.00 0.22 C ATOM 1108 OG1 THR A 67 -1.696 -8.997 -2.124 1.00 0.29 O ATOM 1109 CG2 THR A 67 0.181 -10.109 -1.201 1.00 0.25 C ATOM 0 H THR A 67 0.006 -6.835 -3.570 1.00 0.24 H new ATOM 0 HA THR A 67 -0.225 -7.355 -0.676 1.00 0.24 H new ATOM 0 HB THR A 67 0.141 -9.123 -3.085 1.00 0.22 H new ATOM 0 HG1 THR A 67 -2.035 -9.466 -1.333 1.00 0.29 H new ATOM 0 HG21 THR A 67 -0.215 -11.051 -1.580 1.00 0.25 H new ATOM 0 HG22 THR A 67 1.270 -10.149 -1.196 1.00 0.25 H new ATOM 0 HG23 THR A 67 -0.181 -9.945 -0.186 1.00 0.25 H new ATOM 1117 N PHE A 68 2.196 -8.070 -0.298 1.00 0.31 N ATOM 1118 CA PHE A 68 3.622 -8.164 -0.030 1.00 0.39 C ATOM 1119 C PHE A 68 3.933 -9.368 0.853 1.00 0.37 C ATOM 1120 O PHE A 68 3.136 -9.740 1.715 1.00 0.40 O ATOM 1121 CB PHE A 68 4.123 -6.883 0.634 1.00 0.55 C ATOM 1122 CG PHE A 68 3.841 -5.644 -0.165 1.00 0.49 C ATOM 1123 CD1 PHE A 68 2.580 -5.072 -0.158 1.00 0.62 C ATOM 1124 CD2 PHE A 68 4.839 -5.051 -0.923 1.00 0.53 C ATOM 1125 CE1 PHE A 68 2.317 -3.931 -0.893 1.00 0.67 C ATOM 1126 CE2 PHE A 68 4.581 -3.911 -1.660 1.00 0.55 C ATOM 1127 CZ PHE A 68 3.319 -3.351 -1.646 1.00 0.57 C ATOM 0 H PHE A 68 1.599 -8.349 0.480 1.00 0.31 H new ATOM 0 HA PHE A 68 4.137 -8.295 -0.982 1.00 0.39 H new ATOM 0 HB2 PHE A 68 3.658 -6.786 1.615 1.00 0.55 H new ATOM 0 HB3 PHE A 68 5.198 -6.964 0.797 1.00 0.55 H new ATOM 0 HD1 PHE A 68 1.793 -5.522 0.428 1.00 0.62 H new ATOM 0 HD2 PHE A 68 5.828 -5.484 -0.938 1.00 0.53 H new ATOM 0 HE1 PHE A 68 1.330 -3.494 -0.878 1.00 0.67 H new ATOM 0 HE2 PHE A 68 5.366 -3.458 -2.247 1.00 0.55 H new ATOM 0 HZ PHE A 68 3.116 -2.461 -2.223 1.00 0.57 H new ATOM 1137 N PRO A 69 5.100 -9.996 0.648 1.00 0.39 N ATOM 1138 CA PRO A 69 5.514 -11.164 1.411 1.00 0.43 C ATOM 1139 C PRO A 69 6.315 -10.803 2.655 1.00 0.48 C ATOM 1140 O PRO A 69 7.160 -9.909 2.622 1.00 0.63 O ATOM 1141 CB PRO A 69 6.402 -11.903 0.418 1.00 0.50 C ATOM 1142 CG PRO A 69 7.019 -10.832 -0.424 1.00 0.50 C ATOM 1143 CD PRO A 69 6.101 -9.632 -0.367 1.00 0.43 C ATOM 0 HA PRO A 69 4.663 -11.736 1.782 1.00 0.43 H new ATOM 0 HB2 PRO A 69 7.164 -12.489 0.931 1.00 0.50 H new ATOM 0 HB3 PRO A 69 5.821 -12.597 -0.190 1.00 0.50 H new ATOM 0 HG2 PRO A 69 8.011 -10.575 -0.053 1.00 0.50 H new ATOM 0 HG3 PRO A 69 7.142 -11.174 -1.452 1.00 0.50 H new ATOM 0 HD2 PRO A 69 6.643 -8.728 -0.087 1.00 0.43 H new ATOM 0 HD3 PRO A 69 5.637 -9.439 -1.334 1.00 0.43 H new ATOM 1151 N LYS A 70 6.075 -11.532 3.741 1.00 0.44 N ATOM 1152 CA LYS A 70 6.807 -11.309 4.985 1.00 0.49 C ATOM 1153 C LYS A 70 8.308 -11.255 4.716 1.00 0.51 C ATOM 1154 O LYS A 70 8.869 -12.154 4.089 1.00 0.69 O ATOM 1155 CB LYS A 70 6.492 -12.416 5.993 1.00 0.61 C ATOM 1156 CG LYS A 70 7.191 -12.235 7.331 1.00 0.82 C ATOM 1157 CD LYS A 70 6.964 -13.430 8.244 1.00 0.78 C ATOM 1158 CE LYS A 70 5.623 -13.341 8.955 1.00 1.10 C ATOM 1159 NZ LYS A 70 4.562 -14.098 8.236 1.00 1.62 N ATOM 0 H LYS A 70 5.382 -12.279 3.786 1.00 0.44 H new ATOM 0 HA LYS A 70 6.493 -10.353 5.405 1.00 0.49 H new ATOM 0 HB2 LYS A 70 5.415 -12.452 6.157 1.00 0.61 H new ATOM 0 HB3 LYS A 70 6.782 -13.377 5.568 1.00 0.61 H new ATOM 0 HG2 LYS A 70 8.260 -12.098 7.169 1.00 0.82 H new ATOM 0 HG3 LYS A 70 6.823 -11.330 7.815 1.00 0.82 H new ATOM 0 HD2 LYS A 70 7.007 -14.349 7.660 1.00 0.78 H new ATOM 0 HD3 LYS A 70 7.765 -13.483 8.981 1.00 0.78 H new ATOM 0 HE2 LYS A 70 5.723 -13.730 9.968 1.00 1.10 H new ATOM 0 HE3 LYS A 70 5.327 -12.296 9.042 1.00 1.10 H new ATOM 0 HZ1 LYS A 70 3.853 -14.434 8.918 1.00 1.62 H new ATOM 0 HZ2 LYS A 70 4.105 -13.477 7.538 1.00 1.62 H new ATOM 0 HZ3 LYS A 70 4.987 -14.913 7.748 1.00 1.62 H new ATOM 1173 N GLY A 71 8.946 -10.178 5.160 1.00 0.46 N ATOM 1174 CA GLY A 71 10.366 -10.009 4.924 1.00 0.46 C ATOM 1175 C GLY A 71 10.648 -8.904 3.925 1.00 0.36 C ATOM 1176 O GLY A 71 11.701 -8.268 3.971 1.00 0.36 O ATOM 0 H GLY A 71 8.504 -9.419 5.679 1.00 0.46 H new ATOM 0 HA2 GLY A 71 10.866 -9.782 5.866 1.00 0.46 H new ATOM 0 HA3 GLY A 71 10.787 -10.945 4.557 1.00 0.46 H new ATOM 1180 N LEU A 72 9.690 -8.659 3.031 1.00 0.36 N ATOM 1181 CA LEU A 72 9.820 -7.613 2.014 1.00 0.34 C ATOM 1182 C LEU A 72 10.431 -6.339 2.595 1.00 0.31 C ATOM 1183 O LEU A 72 9.916 -5.775 3.560 1.00 0.60 O ATOM 1184 CB LEU A 72 8.443 -7.294 1.421 1.00 0.43 C ATOM 1185 CG LEU A 72 8.439 -6.605 0.049 1.00 0.51 C ATOM 1186 CD1 LEU A 72 9.549 -5.572 -0.060 1.00 1.13 C ATOM 1187 CD2 LEU A 72 8.561 -7.634 -1.065 1.00 1.08 C ATOM 0 H LEU A 72 8.810 -9.174 2.990 1.00 0.36 H new ATOM 0 HA LEU A 72 10.485 -7.985 1.235 1.00 0.34 H new ATOM 0 HB2 LEU A 72 7.881 -8.225 1.339 1.00 0.43 H new ATOM 0 HB3 LEU A 72 7.906 -6.659 2.125 1.00 0.43 H new ATOM 0 HG LEU A 72 7.488 -6.084 -0.056 1.00 0.51 H new ATOM 0 HD11 LEU A 72 9.516 -5.105 -1.044 1.00 1.13 H new ATOM 0 HD12 LEU A 72 9.414 -4.811 0.708 1.00 1.13 H new ATOM 0 HD13 LEU A 72 10.514 -6.059 0.078 1.00 1.13 H new ATOM 0 HD21 LEU A 72 8.556 -7.128 -2.030 1.00 1.08 H new ATOM 0 HD22 LEU A 72 9.493 -8.186 -0.949 1.00 1.08 H new ATOM 0 HD23 LEU A 72 7.721 -8.326 -1.015 1.00 1.08 H new ATOM 1199 N ARG A 73 11.506 -5.868 1.972 1.00 0.26 N ATOM 1200 CA ARG A 73 12.158 -4.637 2.397 1.00 0.23 C ATOM 1201 C ARG A 73 12.367 -3.703 1.207 1.00 0.20 C ATOM 1202 O ARG A 73 13.142 -4.002 0.299 1.00 0.24 O ATOM 1203 CB ARG A 73 13.501 -4.947 3.061 1.00 0.27 C ATOM 1204 CG ARG A 73 14.036 -3.810 3.916 1.00 0.43 C ATOM 1205 CD ARG A 73 15.541 -3.657 3.761 1.00 0.68 C ATOM 1206 NE ARG A 73 15.956 -2.258 3.791 1.00 1.54 N ATOM 1207 CZ ARG A 73 17.222 -1.864 3.704 1.00 2.09 C ATOM 1208 NH1 ARG A 73 18.191 -2.763 3.582 1.00 2.40 N ATOM 1209 NH2 ARG A 73 17.523 -0.573 3.740 1.00 2.73 N ATOM 0 H ARG A 73 11.944 -6.322 1.170 1.00 0.26 H new ATOM 0 HA ARG A 73 11.513 -4.141 3.122 1.00 0.23 H new ATOM 0 HB2 ARG A 73 13.393 -5.837 3.681 1.00 0.27 H new ATOM 0 HB3 ARG A 73 14.232 -5.184 2.288 1.00 0.27 H new ATOM 0 HG2 ARG A 73 13.544 -2.879 3.635 1.00 0.43 H new ATOM 0 HG3 ARG A 73 13.794 -3.995 4.963 1.00 0.43 H new ATOM 0 HD2 ARG A 73 16.045 -4.201 4.560 1.00 0.68 H new ATOM 0 HD3 ARG A 73 15.856 -4.108 2.820 1.00 0.68 H new ATOM 0 HE ARG A 73 15.234 -1.543 3.884 1.00 1.54 H new ATOM 0 HH11 ARG A 73 17.964 -3.757 3.555 1.00 2.40 H new ATOM 0 HH12 ARG A 73 19.163 -2.460 3.515 1.00 2.40 H new ATOM 0 HH21 ARG A 73 16.782 0.121 3.835 1.00 2.73 H new ATOM 0 HH22 ARG A 73 18.496 -0.274 3.673 1.00 2.73 H new ATOM 1223 N CYS A 74 11.688 -2.561 1.231 1.00 0.20 N ATOM 1224 CA CYS A 74 11.794 -1.584 0.152 1.00 0.22 C ATOM 1225 C CYS A 74 11.599 -0.164 0.676 1.00 0.24 C ATOM 1226 O CYS A 74 11.037 0.041 1.752 1.00 0.31 O ATOM 1227 CB CYS A 74 10.764 -1.883 -0.940 1.00 0.27 C ATOM 1228 SG CYS A 74 9.075 -2.075 -0.329 1.00 0.63 S ATOM 0 H CYS A 74 11.058 -2.289 1.986 1.00 0.20 H new ATOM 0 HA CYS A 74 12.796 -1.659 -0.271 1.00 0.22 H new ATOM 0 HB2 CYS A 74 10.784 -1.077 -1.674 1.00 0.27 H new ATOM 0 HB3 CYS A 74 11.056 -2.795 -1.460 1.00 0.27 H new ATOM 0 HG CYS A 74 8.658 -0.944 0.158 1.00 0.63 H new ATOM 1234 N ARG A 75 12.078 0.814 -0.089 1.00 0.25 N ATOM 1235 CA ARG A 75 11.971 2.217 0.298 1.00 0.28 C ATOM 1236 C ARG A 75 10.704 2.850 -0.266 1.00 0.31 C ATOM 1237 O ARG A 75 10.436 2.769 -1.465 1.00 0.37 O ATOM 1238 CB ARG A 75 13.198 2.990 -0.189 1.00 0.33 C ATOM 1239 CG ARG A 75 13.107 4.489 0.046 1.00 0.54 C ATOM 1240 CD ARG A 75 13.256 4.833 1.519 1.00 0.99 C ATOM 1241 NE ARG A 75 14.651 5.048 1.893 1.00 1.50 N ATOM 1242 CZ ARG A 75 15.032 5.504 3.082 1.00 1.80 C ATOM 1243 NH1 ARG A 75 14.126 5.792 4.006 1.00 2.25 N ATOM 1244 NH2 ARG A 75 16.321 5.673 3.347 1.00 2.32 N ATOM 0 H ARG A 75 12.545 0.659 -0.983 1.00 0.25 H new ATOM 0 HA ARG A 75 11.920 2.264 1.386 1.00 0.28 H new ATOM 0 HB2 ARG A 75 14.084 2.605 0.316 1.00 0.33 H new ATOM 0 HB3 ARG A 75 13.334 2.806 -1.255 1.00 0.33 H new ATOM 0 HG2 ARG A 75 13.883 4.996 -0.527 1.00 0.54 H new ATOM 0 HG3 ARG A 75 12.149 4.858 -0.320 1.00 0.54 H new ATOM 0 HD2 ARG A 75 12.679 5.730 1.742 1.00 0.99 H new ATOM 0 HD3 ARG A 75 12.839 4.027 2.123 1.00 0.99 H new ATOM 0 HE ARG A 75 15.373 4.837 1.204 1.00 1.50 H new ATOM 0 HH11 ARG A 75 13.134 5.664 3.805 1.00 2.25 H new ATOM 0 HH12 ARG A 75 14.421 6.142 4.918 1.00 2.25 H new ATOM 0 HH21 ARG A 75 17.021 5.453 2.638 1.00 2.32 H new ATOM 0 HH22 ARG A 75 16.612 6.023 4.260 1.00 2.32 H new ATOM 1258 N TRP A 76 9.934 3.491 0.608 1.00 0.41 N ATOM 1259 CA TRP A 76 8.705 4.160 0.199 1.00 0.48 C ATOM 1260 C TRP A 76 8.923 5.665 0.102 1.00 0.38 C ATOM 1261 O TRP A 76 9.670 6.245 0.888 1.00 0.49 O ATOM 1262 CB TRP A 76 7.582 3.862 1.191 1.00 0.72 C ATOM 1263 CG TRP A 76 6.907 2.547 0.950 1.00 0.63 C ATOM 1264 CD1 TRP A 76 7.511 1.364 0.630 1.00 0.97 C ATOM 1265 CD2 TRP A 76 5.502 2.278 1.005 1.00 0.89 C ATOM 1266 NE1 TRP A 76 6.566 0.377 0.484 1.00 1.28 N ATOM 1267 CE2 TRP A 76 5.325 0.913 0.709 1.00 1.28 C ATOM 1268 CE3 TRP A 76 4.374 3.060 1.277 1.00 1.19 C ATOM 1269 CZ2 TRP A 76 4.068 0.314 0.678 1.00 1.78 C ATOM 1270 CZ3 TRP A 76 3.127 2.463 1.245 1.00 1.71 C ATOM 1271 CH2 TRP A 76 2.983 1.102 0.947 1.00 1.95 C ATOM 0 H TRP A 76 10.140 3.561 1.604 1.00 0.41 H new ATOM 0 HA TRP A 76 8.420 3.782 -0.783 1.00 0.48 H new ATOM 0 HB2 TRP A 76 7.989 3.873 2.202 1.00 0.72 H new ATOM 0 HB3 TRP A 76 6.839 4.658 1.137 1.00 0.72 H new ATOM 0 HD1 TRP A 76 8.575 1.225 0.509 1.00 0.97 H new ATOM 0 HE1 TRP A 76 6.757 -0.596 0.247 1.00 1.28 H new ATOM 0 HE3 TRP A 76 4.475 4.110 1.508 1.00 1.19 H new ATOM 0 HZ2 TRP A 76 3.954 -0.735 0.450 1.00 1.78 H new ATOM 0 HZ3 TRP A 76 2.249 3.056 1.453 1.00 1.71 H new ATOM 0 HH2 TRP A 76 1.995 0.666 0.929 1.00 1.95 H new ATOM 1282 N LYS A 77 8.265 6.290 -0.866 1.00 0.35 N ATOM 1283 CA LYS A 77 8.400 7.728 -1.073 1.00 0.32 C ATOM 1284 C LYS A 77 7.117 8.309 -1.646 1.00 0.28 C ATOM 1285 O LYS A 77 6.739 8.017 -2.781 1.00 0.37 O ATOM 1286 CB LYS A 77 9.581 8.054 -2.006 1.00 0.42 C ATOM 1287 CG LYS A 77 10.349 6.836 -2.511 1.00 0.62 C ATOM 1288 CD LYS A 77 11.021 7.115 -3.846 1.00 0.67 C ATOM 1289 CE LYS A 77 11.438 5.827 -4.539 1.00 0.84 C ATOM 1290 NZ LYS A 77 12.916 5.639 -4.519 1.00 1.58 N ATOM 0 H LYS A 77 7.634 5.826 -1.519 1.00 0.35 H new ATOM 0 HA LYS A 77 8.596 8.181 -0.101 1.00 0.32 H new ATOM 0 HB2 LYS A 77 9.205 8.611 -2.864 1.00 0.42 H new ATOM 0 HB3 LYS A 77 10.273 8.710 -1.478 1.00 0.42 H new ATOM 0 HG2 LYS A 77 11.102 6.549 -1.777 1.00 0.62 H new ATOM 0 HG3 LYS A 77 9.667 5.992 -2.615 1.00 0.62 H new ATOM 0 HD2 LYS A 77 10.339 7.671 -4.489 1.00 0.67 H new ATOM 0 HD3 LYS A 77 11.896 7.745 -3.689 1.00 0.67 H new ATOM 0 HE2 LYS A 77 10.958 4.980 -4.050 1.00 0.84 H new ATOM 0 HE3 LYS A 77 11.088 5.840 -5.571 1.00 0.84 H new ATOM 0 HZ1 LYS A 77 13.159 4.750 -5.001 1.00 1.58 H new ATOM 0 HZ2 LYS A 77 13.374 6.435 -5.008 1.00 1.58 H new ATOM 0 HZ3 LYS A 77 13.248 5.601 -3.534 1.00 1.58 H new ATOM 1304 N VAL A 78 6.450 9.131 -0.849 1.00 0.28 N ATOM 1305 CA VAL A 78 5.204 9.753 -1.262 1.00 0.27 C ATOM 1306 C VAL A 78 5.465 11.008 -2.089 1.00 0.25 C ATOM 1307 O VAL A 78 6.357 11.792 -1.772 1.00 0.35 O ATOM 1308 CB VAL A 78 4.340 10.114 -0.041 1.00 0.39 C ATOM 1309 CG1 VAL A 78 2.953 10.547 -0.478 1.00 0.91 C ATOM 1310 CG2 VAL A 78 4.258 8.936 0.917 1.00 0.58 C ATOM 0 H VAL A 78 6.754 9.383 0.092 1.00 0.28 H new ATOM 0 HA VAL A 78 4.667 9.031 -1.877 1.00 0.27 H new ATOM 0 HB VAL A 78 4.809 10.949 0.480 1.00 0.39 H new ATOM 0 HG11 VAL A 78 2.357 10.798 0.399 1.00 0.91 H new ATOM 0 HG12 VAL A 78 3.032 11.420 -1.125 1.00 0.91 H new ATOM 0 HG13 VAL A 78 2.473 9.734 -1.022 1.00 0.91 H new ATOM 0 HG21 VAL A 78 3.643 9.207 1.775 1.00 0.58 H new ATOM 0 HG22 VAL A 78 3.812 8.082 0.407 1.00 0.58 H new ATOM 0 HG23 VAL A 78 5.260 8.673 1.257 1.00 0.58 H new ATOM 1320 N LEU A 79 4.700 11.178 -3.165 1.00 0.21 N ATOM 1321 CA LEU A 79 4.846 12.344 -4.033 1.00 0.21 C ATOM 1322 C LEU A 79 3.782 13.385 -3.705 1.00 0.21 C ATOM 1323 O LEU A 79 4.001 14.587 -3.856 1.00 0.39 O ATOM 1324 CB LEU A 79 4.738 11.935 -5.504 1.00 0.24 C ATOM 1325 CG LEU A 79 5.868 11.041 -6.018 1.00 0.44 C ATOM 1326 CD1 LEU A 79 5.976 9.776 -5.179 1.00 0.51 C ATOM 1327 CD2 LEU A 79 5.645 10.693 -7.481 1.00 0.38 C ATOM 0 H LEU A 79 3.974 10.524 -3.456 1.00 0.21 H new ATOM 0 HA LEU A 79 5.831 12.778 -3.861 1.00 0.21 H new ATOM 0 HB2 LEU A 79 3.791 11.416 -5.651 1.00 0.24 H new ATOM 0 HB3 LEU A 79 4.705 12.838 -6.114 1.00 0.24 H new ATOM 0 HG LEU A 79 6.806 11.589 -5.932 1.00 0.44 H new ATOM 0 HD11 LEU A 79 6.785 9.154 -5.561 1.00 0.51 H new ATOM 0 HD12 LEU A 79 6.182 10.043 -4.143 1.00 0.51 H new ATOM 0 HD13 LEU A 79 5.038 9.223 -5.232 1.00 0.51 H new ATOM 0 HD21 LEU A 79 6.458 10.057 -7.832 1.00 0.38 H new ATOM 0 HD22 LEU A 79 4.698 10.165 -7.589 1.00 0.38 H new ATOM 0 HD23 LEU A 79 5.620 11.608 -8.073 1.00 0.38 H new ATOM 1339 N GLU A 80 2.633 12.905 -3.250 1.00 0.18 N ATOM 1340 CA GLU A 80 1.527 13.772 -2.864 1.00 0.18 C ATOM 1341 C GLU A 80 0.856 13.220 -1.613 1.00 0.16 C ATOM 1342 O GLU A 80 0.929 12.021 -1.355 1.00 0.19 O ATOM 1343 CB GLU A 80 0.511 13.879 -4.003 1.00 0.24 C ATOM 1344 CG GLU A 80 1.071 14.523 -5.261 1.00 0.93 C ATOM 1345 CD GLU A 80 1.252 13.529 -6.392 1.00 1.67 C ATOM 1346 OE1 GLU A 80 0.290 13.327 -7.163 1.00 2.16 O ATOM 1347 OE2 GLU A 80 2.355 12.956 -6.508 1.00 2.24 O ATOM 0 H GLU A 80 2.441 11.909 -3.138 1.00 0.18 H new ATOM 0 HA GLU A 80 1.915 14.768 -2.653 1.00 0.18 H new ATOM 0 HB2 GLU A 80 0.146 12.882 -4.247 1.00 0.24 H new ATOM 0 HB3 GLU A 80 -0.347 14.457 -3.660 1.00 0.24 H new ATOM 0 HG2 GLU A 80 0.402 15.320 -5.586 1.00 0.93 H new ATOM 0 HG3 GLU A 80 2.031 14.986 -5.032 1.00 0.93 H new ATOM 1354 N PRO A 81 0.212 14.084 -0.807 1.00 0.20 N ATOM 1355 CA PRO A 81 -0.476 13.672 0.424 1.00 0.22 C ATOM 1356 C PRO A 81 -1.111 12.291 0.295 1.00 0.20 C ATOM 1357 O PRO A 81 -1.910 12.044 -0.609 1.00 0.22 O ATOM 1358 CB PRO A 81 -1.523 14.764 0.582 1.00 0.28 C ATOM 1359 CG PRO A 81 -0.826 15.987 0.086 1.00 0.33 C ATOM 1360 CD PRO A 81 0.067 15.532 -1.045 1.00 0.28 C ATOM 0 HA PRO A 81 0.190 13.575 1.281 1.00 0.22 H new ATOM 0 HB2 PRO A 81 -2.419 14.549 0.000 1.00 0.28 H new ATOM 0 HB3 PRO A 81 -1.836 14.873 1.620 1.00 0.28 H new ATOM 0 HG2 PRO A 81 -1.544 16.731 -0.259 1.00 0.33 H new ATOM 0 HG3 PRO A 81 -0.242 16.452 0.880 1.00 0.33 H new ATOM 0 HD2 PRO A 81 -0.381 15.736 -2.017 1.00 0.28 H new ATOM 0 HD3 PRO A 81 1.031 16.041 -1.025 1.00 0.28 H new ATOM 1368 N VAL A 82 -0.697 11.379 1.167 1.00 0.20 N ATOM 1369 CA VAL A 82 -1.127 9.993 1.079 1.00 0.19 C ATOM 1370 C VAL A 82 -2.198 9.649 2.118 1.00 0.18 C ATOM 1371 O VAL A 82 -2.062 9.954 3.303 1.00 0.24 O ATOM 1372 CB VAL A 82 0.106 9.038 1.182 1.00 0.24 C ATOM 1373 CG1 VAL A 82 0.104 8.157 2.434 1.00 0.31 C ATOM 1374 CG2 VAL A 82 0.206 8.177 -0.068 1.00 0.34 C ATOM 0 H VAL A 82 -0.064 11.577 1.942 1.00 0.20 H new ATOM 0 HA VAL A 82 -1.594 9.850 0.104 1.00 0.19 H new ATOM 0 HB VAL A 82 0.983 9.680 1.267 1.00 0.24 H new ATOM 0 HG11 VAL A 82 0.990 7.523 2.434 1.00 0.31 H new ATOM 0 HG12 VAL A 82 0.109 8.788 3.323 1.00 0.31 H new ATOM 0 HG13 VAL A 82 -0.789 7.532 2.438 1.00 0.31 H new ATOM 0 HG21 VAL A 82 1.068 7.515 0.014 1.00 0.34 H new ATOM 0 HG22 VAL A 82 -0.700 7.581 -0.172 1.00 0.34 H new ATOM 0 HG23 VAL A 82 0.322 8.817 -0.943 1.00 0.34 H new ATOM 1384 N ARG A 83 -3.238 8.971 1.652 1.00 0.14 N ATOM 1385 CA ARG A 83 -4.306 8.492 2.515 1.00 0.17 C ATOM 1386 C ARG A 83 -4.664 7.067 2.118 1.00 0.22 C ATOM 1387 O ARG A 83 -5.178 6.837 1.025 1.00 0.25 O ATOM 1388 CB ARG A 83 -5.532 9.399 2.408 1.00 0.20 C ATOM 1389 CG ARG A 83 -5.501 10.578 3.366 1.00 0.62 C ATOM 1390 CD ARG A 83 -6.592 10.469 4.419 1.00 0.92 C ATOM 1391 NE ARG A 83 -7.924 10.631 3.845 1.00 1.25 N ATOM 1392 CZ ARG A 83 -8.451 11.809 3.532 1.00 1.71 C ATOM 1393 NH1 ARG A 83 -7.760 12.922 3.737 1.00 2.02 N ATOM 1394 NH2 ARG A 83 -9.670 11.877 3.014 1.00 2.42 N ATOM 0 H ARG A 83 -3.364 8.739 0.667 1.00 0.14 H new ATOM 0 HA ARG A 83 -3.967 8.507 3.551 1.00 0.17 H new ATOM 0 HB2 ARG A 83 -5.609 9.773 1.387 1.00 0.20 H new ATOM 0 HB3 ARG A 83 -6.428 8.809 2.600 1.00 0.20 H new ATOM 0 HG2 ARG A 83 -4.527 10.627 3.853 1.00 0.62 H new ATOM 0 HG3 ARG A 83 -5.625 11.506 2.807 1.00 0.62 H new ATOM 0 HD2 ARG A 83 -6.525 9.499 4.911 1.00 0.92 H new ATOM 0 HD3 ARG A 83 -6.433 11.227 5.186 1.00 0.92 H new ATOM 0 HE ARG A 83 -8.481 9.793 3.675 1.00 1.25 H new ATOM 0 HH11 ARG A 83 -6.822 12.874 4.136 1.00 2.02 H new ATOM 0 HH12 ARG A 83 -8.166 13.826 3.496 1.00 2.02 H new ATOM 0 HH21 ARG A 83 -10.205 11.023 2.855 1.00 2.42 H new ATOM 0 HH22 ARG A 83 -10.073 12.783 2.774 1.00 2.42 H new ATOM 1408 N LYS A 84 -4.345 6.101 2.976 1.00 0.28 N ATOM 1409 CA LYS A 84 -4.579 4.703 2.635 1.00 0.37 C ATOM 1410 C LYS A 84 -5.205 3.918 3.787 1.00 0.27 C ATOM 1411 O LYS A 84 -5.057 4.272 4.957 1.00 0.23 O ATOM 1412 CB LYS A 84 -3.262 4.047 2.185 1.00 0.56 C ATOM 1413 CG LYS A 84 -2.432 3.452 3.313 1.00 0.47 C ATOM 1414 CD LYS A 84 -0.950 3.441 2.976 1.00 0.91 C ATOM 1415 CE LYS A 84 -0.492 2.064 2.522 1.00 1.17 C ATOM 1416 NZ LYS A 84 -0.827 1.810 1.094 1.00 1.63 N ATOM 0 H LYS A 84 -3.932 6.257 3.895 1.00 0.28 H new ATOM 0 HA LYS A 84 -5.296 4.681 1.814 1.00 0.37 H new ATOM 0 HB2 LYS A 84 -3.491 3.260 1.466 1.00 0.56 H new ATOM 0 HB3 LYS A 84 -2.661 4.791 1.663 1.00 0.56 H new ATOM 0 HG2 LYS A 84 -2.593 4.026 4.225 1.00 0.47 H new ATOM 0 HG3 LYS A 84 -2.767 2.434 3.513 1.00 0.47 H new ATOM 0 HD2 LYS A 84 -0.749 4.170 2.191 1.00 0.91 H new ATOM 0 HD3 LYS A 84 -0.375 3.747 3.850 1.00 0.91 H new ATOM 0 HE2 LYS A 84 0.585 1.975 2.664 1.00 1.17 H new ATOM 0 HE3 LYS A 84 -0.960 1.302 3.146 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 -0.671 0.806 0.874 1.00 1.63 H new ATOM 0 HZ2 LYS A 84 -1.824 2.051 0.923 1.00 1.63 H new ATOM 0 HZ3 LYS A 84 -0.220 2.396 0.486 1.00 1.63 H new ATOM 1430 N HIS A 85 -5.879 2.832 3.430 1.00 0.28 N ATOM 1431 CA HIS A 85 -6.497 1.944 4.404 1.00 0.22 C ATOM 1432 C HIS A 85 -5.611 0.727 4.634 1.00 0.22 C ATOM 1433 O HIS A 85 -4.678 0.479 3.870 1.00 0.27 O ATOM 1434 CB HIS A 85 -7.886 1.527 3.930 1.00 0.28 C ATOM 1435 CG HIS A 85 -8.847 2.670 3.891 1.00 0.31 C ATOM 1436 ND1 HIS A 85 -10.067 2.653 4.531 1.00 0.41 N ATOM 1437 CD2 HIS A 85 -8.745 3.887 3.311 1.00 0.37 C ATOM 1438 CE1 HIS A 85 -10.683 3.804 4.332 1.00 0.50 C ATOM 1439 NE2 HIS A 85 -9.901 4.571 3.594 1.00 0.48 N ATOM 0 H HIS A 85 -6.012 2.544 2.461 1.00 0.28 H new ATOM 0 HA HIS A 85 -6.607 2.472 5.351 1.00 0.22 H new ATOM 0 HB2 HIS A 85 -7.810 1.087 2.936 1.00 0.28 H new ATOM 0 HB3 HIS A 85 -8.274 0.753 4.592 1.00 0.28 H new ATOM 0 HD1 HIS A 85 -10.437 1.873 5.074 1.00 0.41 H new ATOM 0 HD2 HIS A 85 -7.910 4.253 2.733 1.00 0.37 H new ATOM 0 HE1 HIS A 85 -11.659 4.072 4.708 1.00 0.50 H new ATOM 1448 N TYR A 86 -5.864 -0.001 5.714 1.00 0.22 N ATOM 1449 CA TYR A 86 -5.015 -1.131 6.072 1.00 0.26 C ATOM 1450 C TYR A 86 -5.771 -2.454 6.091 1.00 0.26 C ATOM 1451 O TYR A 86 -6.996 -2.492 6.192 1.00 0.30 O ATOM 1452 CB TYR A 86 -4.401 -0.893 7.446 1.00 0.36 C ATOM 1453 CG TYR A 86 -3.332 0.169 7.467 1.00 0.37 C ATOM 1454 CD1 TYR A 86 -2.096 -0.049 6.875 1.00 0.52 C ATOM 1455 CD2 TYR A 86 -3.558 1.384 8.095 1.00 0.64 C ATOM 1456 CE1 TYR A 86 -1.116 0.921 6.900 1.00 0.53 C ATOM 1457 CE2 TYR A 86 -2.585 2.361 8.125 1.00 0.72 C ATOM 1458 CZ TYR A 86 -1.363 2.127 7.526 1.00 0.48 C ATOM 1459 OH TYR A 86 -0.389 3.097 7.554 1.00 0.57 O ATOM 0 H TYR A 86 -6.642 0.168 6.352 1.00 0.22 H new ATOM 0 HA TYR A 86 -4.242 -1.203 5.307 1.00 0.26 H new ATOM 0 HB2 TYR A 86 -5.192 -0.611 8.141 1.00 0.36 H new ATOM 0 HB3 TYR A 86 -3.976 -1.829 7.809 1.00 0.36 H new ATOM 0 HD1 TYR A 86 -1.899 -0.992 6.387 1.00 0.52 H new ATOM 0 HD2 TYR A 86 -4.511 1.568 8.568 1.00 0.64 H new ATOM 0 HE1 TYR A 86 -0.160 0.738 6.432 1.00 0.53 H new ATOM 0 HE2 TYR A 86 -2.778 3.304 8.614 1.00 0.72 H new ATOM 0 HH TYR A 86 -0.707 3.865 8.073 1.00 0.57 H new ATOM 1469 N ASN A 87 -5.003 -3.538 6.023 1.00 0.27 N ATOM 1470 CA ASN A 87 -5.547 -4.891 6.053 1.00 0.27 C ATOM 1471 C ASN A 87 -4.431 -5.890 6.355 1.00 0.32 C ATOM 1472 O ASN A 87 -3.956 -6.595 5.465 1.00 0.39 O ATOM 1473 CB ASN A 87 -6.211 -5.231 4.717 1.00 0.26 C ATOM 1474 CG ASN A 87 -6.783 -6.637 4.695 1.00 0.39 C ATOM 1475 OD1 ASN A 87 -6.144 -7.587 5.149 1.00 1.27 O ATOM 1476 ND2 ASN A 87 -7.994 -6.777 4.168 1.00 1.00 N ATOM 0 H ASN A 87 -3.987 -3.502 5.946 1.00 0.27 H new ATOM 0 HA ASN A 87 -6.302 -4.949 6.838 1.00 0.27 H new ATOM 0 HB2 ASN A 87 -7.008 -4.515 4.518 1.00 0.26 H new ATOM 0 HB3 ASN A 87 -5.481 -5.126 3.915 1.00 0.26 H new ATOM 0 HD21 ASN A 87 -8.429 -7.699 4.128 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -8.489 -5.963 3.803 1.00 1.00 H new ATOM 1483 N LEU A 88 -3.983 -5.906 7.608 1.00 0.36 N ATOM 1484 CA LEU A 88 -2.900 -6.792 8.027 1.00 0.43 C ATOM 1485 C LEU A 88 -3.444 -8.033 8.726 1.00 0.49 C ATOM 1486 O LEU A 88 -4.483 -7.979 9.384 1.00 0.52 O ATOM 1487 CB LEU A 88 -1.932 -6.055 8.959 1.00 0.53 C ATOM 1488 CG LEU A 88 -1.504 -4.660 8.492 1.00 0.62 C ATOM 1489 CD1 LEU A 88 -2.655 -3.679 8.613 1.00 1.21 C ATOM 1490 CD2 LEU A 88 -0.304 -4.177 9.292 1.00 1.56 C ATOM 0 H LEU A 88 -4.354 -5.315 8.352 1.00 0.36 H new ATOM 0 HA LEU A 88 -2.364 -7.106 7.131 1.00 0.43 H new ATOM 0 HB2 LEU A 88 -2.398 -5.964 9.940 1.00 0.53 H new ATOM 0 HB3 LEU A 88 -1.039 -6.667 9.085 1.00 0.53 H new ATOM 0 HG LEU A 88 -1.217 -4.722 7.442 1.00 0.62 H new ATOM 0 HD11 LEU A 88 -2.331 -2.694 8.277 1.00 1.21 H new ATOM 0 HD12 LEU A 88 -3.488 -4.017 7.996 1.00 1.21 H new ATOM 0 HD13 LEU A 88 -2.975 -3.620 9.653 1.00 1.21 H new ATOM 0 HD21 LEU A 88 -0.013 -3.185 8.948 1.00 1.56 H new ATOM 0 HD22 LEU A 88 -0.566 -4.132 10.349 1.00 1.56 H new ATOM 0 HD23 LEU A 88 0.528 -4.868 9.153 1.00 1.56 H new ATOM 1502 N PHE A 89 -2.748 -9.155 8.564 1.00 0.57 N ATOM 1503 CA PHE A 89 -3.167 -10.408 9.182 1.00 0.67 C ATOM 1504 C PHE A 89 -2.426 -10.644 10.493 1.00 1.02 C ATOM 1505 O PHE A 89 -2.988 -10.311 11.558 1.00 1.77 O ATOM 1506 CB PHE A 89 -2.923 -11.581 8.226 1.00 1.01 C ATOM 1507 CG PHE A 89 -3.622 -11.448 6.898 1.00 0.71 C ATOM 1508 CD1 PHE A 89 -4.743 -10.641 6.760 1.00 1.05 C ATOM 1509 CD2 PHE A 89 -3.162 -12.141 5.790 1.00 1.00 C ATOM 1510 CE1 PHE A 89 -5.385 -10.524 5.540 1.00 1.19 C ATOM 1511 CE2 PHE A 89 -3.801 -12.029 4.569 1.00 1.03 C ATOM 1512 CZ PHE A 89 -4.913 -11.219 4.444 1.00 0.93 C ATOM 1513 OXT PHE A 89 -1.291 -11.163 10.446 1.00 1.45 O ATOM 0 H PHE A 89 -1.893 -9.222 8.011 1.00 0.57 H new ATOM 0 HA PHE A 89 -4.233 -10.338 9.396 1.00 0.67 H new ATOM 0 HB2 PHE A 89 -1.851 -11.677 8.052 1.00 1.01 H new ATOM 0 HB3 PHE A 89 -3.252 -12.502 8.707 1.00 1.01 H new ATOM 0 HD1 PHE A 89 -5.118 -10.098 7.615 1.00 1.05 H new ATOM 0 HD2 PHE A 89 -2.294 -12.777 5.881 1.00 1.00 H new ATOM 0 HE1 PHE A 89 -6.254 -9.890 5.445 1.00 1.19 H new ATOM 0 HE2 PHE A 89 -3.431 -12.574 3.713 1.00 1.03 H new ATOM 0 HZ PHE A 89 -5.412 -11.129 3.491 1.00 0.93 H new