USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 762 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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 4 LYS NZ :NH3+ -162:sc= 0.729 (180deg=0) USER MOD Set 2.2: A 67 THR OG1 : rot -120:sc= -2.05! USER MOD Single : A 1 MET CE :methyl -155:sc= -0.645 (180deg=-2.26!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0859 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 75:sc= 1.1 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -137:sc= -1.15 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -158:sc= -0.912 USER MOD Single : A 37 THR OG1 : rot -32:sc= 0.49 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 41 CYS SG : rot -159:sc= -2.35 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 75:sc= 0.346 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 15:sc= -4.03! USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= 0.137 (180deg=0.104) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 53:sc= 0.0574 USER MOD Single : A 84 LYS NZ :NH3+ 147:sc= -0.0573 (180deg=-0.477) USER MOD Single : A 85 HIS : no HE2:sc= -4.45! C(o=-4.4!,f=-9.9!) USER MOD Single : A 86 TYR OH : rot 45:sc= 1.19 USER MOD Single : A 87 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.624 -12.614 -3.089 1.00 2.49 N ATOM 2 CA MET A 1 7.505 -11.300 -3.772 1.00 1.48 C ATOM 3 C MET A 1 6.262 -11.250 -4.659 1.00 1.01 C ATOM 4 O MET A 1 6.351 -11.025 -5.865 1.00 1.55 O ATOM 5 CB MET A 1 8.771 -11.069 -4.605 1.00 1.69 C ATOM 6 CG MET A 1 9.492 -9.774 -4.267 1.00 1.71 C ATOM 7 SD MET A 1 11.249 -9.831 -4.673 1.00 2.21 S ATOM 8 CE MET A 1 11.744 -11.336 -3.836 1.00 2.67 C ATOM 0 H1 MET A 1 8.477 -12.620 -2.494 1.00 2.49 H new ATOM 0 H2 MET A 1 6.786 -12.774 -2.495 1.00 2.49 H new ATOM 0 H3 MET A 1 7.693 -13.370 -3.800 1.00 2.49 H new ATOM 0 HA MET A 1 7.401 -10.512 -3.026 1.00 1.48 H new ATOM 0 HB2 MET A 1 9.453 -11.905 -4.454 1.00 1.69 H new ATOM 0 HB3 MET A 1 8.505 -11.062 -5.662 1.00 1.69 H new ATOM 0 HG2 MET A 1 9.025 -8.951 -4.807 1.00 1.71 H new ATOM 0 HG3 MET A 1 9.375 -9.564 -3.204 1.00 1.71 H new ATOM 0 HE1 MET A 1 12.808 -11.291 -3.606 1.00 2.67 H new ATOM 0 HE2 MET A 1 11.177 -11.441 -2.911 1.00 2.67 H new ATOM 0 HE3 MET A 1 11.548 -12.192 -4.481 1.00 2.67 H new ATOM 20 N GLU A 2 5.100 -11.460 -4.048 1.00 0.62 N ATOM 21 CA GLU A 2 3.836 -11.440 -4.777 1.00 0.43 C ATOM 22 C GLU A 2 3.151 -10.084 -4.643 1.00 0.39 C ATOM 23 O GLU A 2 2.040 -9.988 -4.123 1.00 0.56 O ATOM 24 CB GLU A 2 2.910 -12.543 -4.260 1.00 0.96 C ATOM 25 CG GLU A 2 3.367 -13.946 -4.629 1.00 1.73 C ATOM 26 CD GLU A 2 2.261 -14.972 -4.496 1.00 2.34 C ATOM 27 OE1 GLU A 2 1.275 -14.693 -3.782 1.00 2.92 O ATOM 28 OE2 GLU A 2 2.381 -16.056 -5.104 1.00 2.59 O ATOM 0 H GLU A 2 5.007 -11.646 -3.049 1.00 0.62 H new ATOM 0 HA GLU A 2 4.050 -11.616 -5.831 1.00 0.43 H new ATOM 0 HB2 GLU A 2 2.839 -12.467 -3.175 1.00 0.96 H new ATOM 0 HB3 GLU A 2 1.908 -12.380 -4.657 1.00 0.96 H new ATOM 0 HG2 GLU A 2 3.736 -13.946 -5.655 1.00 1.73 H new ATOM 0 HG3 GLU A 2 4.202 -14.232 -3.990 1.00 1.73 H new ATOM 35 N VAL A 3 3.824 -9.039 -5.115 1.00 0.37 N ATOM 36 CA VAL A 3 3.281 -7.687 -5.048 1.00 0.36 C ATOM 37 C VAL A 3 2.490 -7.356 -6.310 1.00 0.34 C ATOM 38 O VAL A 3 3.007 -7.459 -7.422 1.00 0.49 O ATOM 39 CB VAL A 3 4.398 -6.638 -4.869 1.00 0.46 C ATOM 40 CG1 VAL A 3 3.829 -5.336 -4.331 1.00 0.47 C ATOM 41 CG2 VAL A 3 5.494 -7.168 -3.956 1.00 0.66 C ATOM 0 H VAL A 3 4.746 -9.103 -5.548 1.00 0.37 H new ATOM 0 HA VAL A 3 2.620 -7.653 -4.182 1.00 0.36 H new ATOM 0 HB VAL A 3 4.839 -6.438 -5.846 1.00 0.46 H new ATOM 0 HG11 VAL A 3 4.633 -4.609 -4.212 1.00 0.47 H new ATOM 0 HG12 VAL A 3 3.088 -4.947 -5.029 1.00 0.47 H new ATOM 0 HG13 VAL A 3 3.357 -5.517 -3.365 1.00 0.47 H new ATOM 0 HG21 VAL A 3 6.271 -6.412 -3.844 1.00 0.66 H new ATOM 0 HG22 VAL A 3 5.072 -7.402 -2.979 1.00 0.66 H new ATOM 0 HG23 VAL A 3 5.925 -8.070 -4.391 1.00 0.66 H new ATOM 51 N LYS A 4 1.233 -6.959 -6.131 1.00 0.29 N ATOM 52 CA LYS A 4 0.372 -6.627 -7.261 1.00 0.31 C ATOM 53 C LYS A 4 -0.305 -5.274 -7.057 1.00 0.30 C ATOM 54 O LYS A 4 -0.507 -4.841 -5.930 1.00 0.30 O ATOM 55 CB LYS A 4 -0.675 -7.739 -7.466 1.00 0.32 C ATOM 56 CG LYS A 4 -1.945 -7.602 -6.628 1.00 0.31 C ATOM 57 CD LYS A 4 -1.737 -8.084 -5.203 1.00 0.40 C ATOM 58 CE LYS A 4 -3.000 -7.915 -4.372 1.00 0.44 C ATOM 59 NZ LYS A 4 -3.614 -9.226 -4.019 1.00 1.09 N ATOM 0 H LYS A 4 0.790 -6.860 -5.218 1.00 0.29 H new ATOM 0 HA LYS A 4 0.988 -6.554 -8.157 1.00 0.31 H new ATOM 0 HB2 LYS A 4 -0.955 -7.762 -8.519 1.00 0.32 H new ATOM 0 HB3 LYS A 4 -0.211 -8.699 -7.238 1.00 0.32 H new ATOM 0 HG2 LYS A 4 -2.261 -6.559 -6.616 1.00 0.31 H new ATOM 0 HG3 LYS A 4 -2.749 -8.174 -7.091 1.00 0.31 H new ATOM 0 HD2 LYS A 4 -1.442 -9.133 -5.211 1.00 0.40 H new ATOM 0 HD3 LYS A 4 -0.920 -7.527 -4.744 1.00 0.40 H new ATOM 0 HE2 LYS A 4 -2.763 -7.368 -3.459 1.00 0.44 H new ATOM 0 HE3 LYS A 4 -3.721 -7.314 -4.926 1.00 0.44 H new ATOM 0 HZ1 LYS A 4 -4.602 -9.080 -3.730 1.00 1.09 H new ATOM 0 HZ2 LYS A 4 -3.584 -9.857 -4.845 1.00 1.09 H new ATOM 0 HZ3 LYS A 4 -3.084 -9.657 -3.235 1.00 1.09 H new ATOM 73 N ILE A 5 -0.664 -4.616 -8.151 1.00 0.31 N ATOM 74 CA ILE A 5 -1.359 -3.336 -8.075 1.00 0.33 C ATOM 75 C ILE A 5 -2.664 -3.386 -8.862 1.00 0.33 C ATOM 76 O ILE A 5 -2.653 -3.606 -10.073 1.00 0.42 O ATOM 77 CB ILE A 5 -0.490 -2.185 -8.610 1.00 0.45 C ATOM 78 CG1 ILE A 5 0.958 -2.357 -8.148 1.00 0.50 C ATOM 79 CG2 ILE A 5 -1.044 -0.848 -8.148 1.00 0.47 C ATOM 80 CD1 ILE A 5 1.818 -3.130 -9.125 1.00 0.80 C ATOM 0 H ILE A 5 -0.487 -4.945 -9.100 1.00 0.31 H new ATOM 0 HA ILE A 5 -1.572 -3.150 -7.022 1.00 0.33 H new ATOM 0 HB ILE A 5 -0.509 -2.207 -9.700 1.00 0.45 H new ATOM 0 HG12 ILE A 5 1.399 -1.373 -7.988 1.00 0.50 H new ATOM 0 HG13 ILE A 5 0.965 -2.870 -7.186 1.00 0.50 H new ATOM 0 HG21 ILE A 5 -0.419 -0.042 -8.534 1.00 0.47 H new ATOM 0 HG22 ILE A 5 -2.062 -0.728 -8.520 1.00 0.47 H new ATOM 0 HG23 ILE A 5 -1.049 -0.813 -7.059 1.00 0.47 H new ATOM 0 HD11 ILE A 5 2.831 -3.213 -8.732 1.00 0.80 H new ATOM 0 HD12 ILE A 5 1.401 -4.127 -9.267 1.00 0.80 H new ATOM 0 HD13 ILE A 5 1.842 -2.607 -10.081 1.00 0.80 H new ATOM 92 N GLU A 6 -3.791 -3.192 -8.178 1.00 0.29 N ATOM 93 CA GLU A 6 -5.083 -3.240 -8.851 1.00 0.34 C ATOM 94 C GLU A 6 -6.101 -2.335 -8.171 1.00 0.31 C ATOM 95 O GLU A 6 -6.140 -2.235 -6.945 1.00 0.32 O ATOM 96 CB GLU A 6 -5.605 -4.678 -8.885 1.00 0.41 C ATOM 97 CG GLU A 6 -4.826 -5.582 -9.825 1.00 0.79 C ATOM 98 CD GLU A 6 -4.924 -5.142 -11.273 1.00 1.35 C ATOM 99 OE1 GLU A 6 -5.974 -4.584 -11.653 1.00 2.00 O ATOM 100 OE2 GLU A 6 -3.950 -5.353 -12.025 1.00 1.86 O ATOM 0 H GLU A 6 -3.834 -3.004 -7.176 1.00 0.29 H new ATOM 0 HA GLU A 6 -4.941 -2.881 -9.870 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -5.567 -5.094 -7.878 1.00 0.41 H new ATOM 0 HB3 GLU A 6 -6.652 -4.669 -9.187 1.00 0.41 H new ATOM 0 HG2 GLU A 6 -3.779 -5.597 -9.524 1.00 0.79 H new ATOM 0 HG3 GLU A 6 -5.198 -6.602 -9.733 1.00 0.79 H new ATOM 107 N LYS A 7 -6.930 -1.681 -8.980 1.00 0.36 N ATOM 108 CA LYS A 7 -7.968 -0.803 -8.459 1.00 0.36 C ATOM 109 C LYS A 7 -9.282 -1.568 -8.305 1.00 0.37 C ATOM 110 O LYS A 7 -10.038 -1.715 -9.266 1.00 0.43 O ATOM 111 CB LYS A 7 -8.167 0.395 -9.391 1.00 0.42 C ATOM 112 CG LYS A 7 -6.880 1.138 -9.712 1.00 0.51 C ATOM 113 CD LYS A 7 -6.684 1.292 -11.212 1.00 0.76 C ATOM 114 CE LYS A 7 -6.431 -0.047 -11.881 1.00 1.18 C ATOM 115 NZ LYS A 7 -5.807 0.111 -13.224 1.00 1.91 N ATOM 0 H LYS A 7 -6.902 -1.744 -9.998 1.00 0.36 H new ATOM 0 HA LYS A 7 -7.655 -0.440 -7.480 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -8.619 0.050 -10.321 1.00 0.42 H new ATOM 0 HB3 LYS A 7 -8.872 1.088 -8.932 1.00 0.42 H new ATOM 0 HG2 LYS A 7 -6.901 2.122 -9.244 1.00 0.51 H new ATOM 0 HG3 LYS A 7 -6.033 0.600 -9.287 1.00 0.51 H new ATOM 0 HD2 LYS A 7 -7.567 1.757 -11.649 1.00 0.76 H new ATOM 0 HD3 LYS A 7 -5.844 1.960 -11.403 1.00 0.76 H new ATOM 0 HE2 LYS A 7 -5.782 -0.652 -11.248 1.00 1.18 H new ATOM 0 HE3 LYS A 7 -7.373 -0.587 -11.980 1.00 1.18 H new ATOM 0 HZ1 LYS A 7 -5.651 -0.826 -13.647 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 -6.438 0.666 -13.837 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 -4.896 0.603 -13.128 1.00 1.91 H new ATOM 129 N PRO A 8 -9.590 -2.041 -7.084 1.00 0.35 N ATOM 130 CA PRO A 8 -10.801 -2.823 -6.824 1.00 0.39 C ATOM 131 C PRO A 8 -12.073 -2.094 -7.244 1.00 0.51 C ATOM 132 O PRO A 8 -12.321 -0.960 -6.834 1.00 0.72 O ATOM 133 CB PRO A 8 -10.786 -3.049 -5.303 1.00 0.44 C ATOM 134 CG PRO A 8 -9.719 -2.151 -4.769 1.00 0.60 C ATOM 135 CD PRO A 8 -8.744 -1.940 -5.888 1.00 0.33 C ATOM 0 HA PRO A 8 -10.804 -3.749 -7.398 1.00 0.39 H new ATOM 0 HB2 PRO A 8 -11.754 -2.811 -4.863 1.00 0.44 H new ATOM 0 HB3 PRO A 8 -10.575 -4.092 -5.065 1.00 0.44 H new ATOM 0 HG2 PRO A 8 -10.140 -1.202 -4.437 1.00 0.60 H new ATOM 0 HG3 PRO A 8 -9.228 -2.601 -3.906 1.00 0.60 H new ATOM 0 HD2 PRO A 8 -8.255 -0.968 -5.820 1.00 0.33 H new ATOM 0 HD3 PRO A 8 -7.957 -2.694 -5.885 1.00 0.33 H new ATOM 143 N THR A 9 -12.877 -2.765 -8.063 1.00 0.48 N ATOM 144 CA THR A 9 -14.136 -2.204 -8.540 1.00 0.63 C ATOM 145 C THR A 9 -15.154 -2.133 -7.405 1.00 0.87 C ATOM 146 O THR A 9 -15.148 -2.973 -6.508 1.00 1.46 O ATOM 147 CB THR A 9 -14.688 -3.065 -9.679 1.00 0.64 C ATOM 148 OG1 THR A 9 -13.694 -3.952 -10.160 1.00 1.47 O ATOM 149 CG2 THR A 9 -15.196 -2.263 -10.857 1.00 1.31 C ATOM 0 H THR A 9 -12.677 -3.703 -8.411 1.00 0.48 H new ATOM 0 HA THR A 9 -13.952 -1.194 -8.906 1.00 0.63 H new ATOM 0 HB THR A 9 -15.530 -3.605 -9.246 1.00 0.64 H new ATOM 0 HG1 THR A 9 -14.064 -4.496 -10.886 1.00 1.47 H new ATOM 0 HG21 THR A 9 -15.571 -2.941 -11.624 1.00 1.31 H new ATOM 0 HG22 THR A 9 -16.001 -1.605 -10.529 1.00 1.31 H new ATOM 0 HG23 THR A 9 -14.383 -1.665 -11.268 1.00 1.31 H new ATOM 157 N PRO A 10 -16.048 -1.130 -7.429 1.00 0.75 N ATOM 158 CA PRO A 10 -17.079 -0.963 -6.408 1.00 1.04 C ATOM 159 C PRO A 10 -17.687 -2.295 -5.972 1.00 0.88 C ATOM 160 O PRO A 10 -18.111 -2.446 -4.826 1.00 1.00 O ATOM 161 CB PRO A 10 -18.137 -0.082 -7.095 1.00 1.48 C ATOM 162 CG PRO A 10 -17.614 0.212 -8.471 1.00 1.30 C ATOM 163 CD PRO A 10 -16.141 -0.083 -8.446 1.00 0.69 C ATOM 0 HA PRO A 10 -16.676 -0.524 -5.495 1.00 1.04 H new ATOM 0 HB2 PRO A 10 -19.097 -0.596 -7.146 1.00 1.48 H new ATOM 0 HB3 PRO A 10 -18.298 0.839 -6.535 1.00 1.48 H new ATOM 0 HG2 PRO A 10 -18.119 -0.403 -9.216 1.00 1.30 H new ATOM 0 HG3 PRO A 10 -17.796 1.253 -8.740 1.00 1.30 H new ATOM 0 HD2 PRO A 10 -15.779 -0.425 -9.415 1.00 0.69 H new ATOM 0 HD3 PRO A 10 -15.555 0.796 -8.179 1.00 0.69 H new ATOM 171 N GLU A 11 -17.711 -3.263 -6.886 1.00 0.71 N ATOM 172 CA GLU A 11 -18.255 -4.583 -6.583 1.00 0.78 C ATOM 173 C GLU A 11 -17.329 -5.350 -5.645 1.00 0.67 C ATOM 174 O GLU A 11 -17.784 -6.015 -4.714 1.00 0.75 O ATOM 175 CB GLU A 11 -18.477 -5.382 -7.871 1.00 0.84 C ATOM 176 CG GLU A 11 -17.192 -5.871 -8.518 1.00 1.27 C ATOM 177 CD GLU A 11 -17.362 -6.175 -9.993 1.00 2.11 C ATOM 178 OE1 GLU A 11 -17.239 -5.239 -10.811 1.00 2.59 O ATOM 179 OE2 GLU A 11 -17.620 -7.350 -10.331 1.00 2.71 O ATOM 0 H GLU A 11 -17.361 -3.158 -7.838 1.00 0.71 H new ATOM 0 HA GLU A 11 -19.215 -4.445 -6.085 1.00 0.78 H new ATOM 0 HB2 GLU A 11 -19.111 -6.241 -7.650 1.00 0.84 H new ATOM 0 HB3 GLU A 11 -19.018 -4.761 -8.584 1.00 0.84 H new ATOM 0 HG2 GLU A 11 -16.416 -5.115 -8.393 1.00 1.27 H new ATOM 0 HG3 GLU A 11 -16.849 -6.768 -8.003 1.00 1.27 H new ATOM 186 N LYS A 12 -16.027 -5.255 -5.899 1.00 0.56 N ATOM 187 CA LYS A 12 -15.036 -5.919 -5.064 1.00 0.53 C ATOM 188 C LYS A 12 -14.859 -5.169 -3.749 1.00 0.48 C ATOM 189 O LYS A 12 -14.542 -5.763 -2.719 1.00 0.50 O ATOM 190 CB LYS A 12 -13.696 -6.009 -5.797 1.00 0.53 C ATOM 191 CG LYS A 12 -13.129 -7.418 -5.862 1.00 0.86 C ATOM 192 CD LYS A 12 -12.211 -7.594 -7.060 1.00 0.66 C ATOM 193 CE LYS A 12 -10.889 -6.870 -6.860 1.00 0.83 C ATOM 194 NZ LYS A 12 -9.745 -7.630 -7.436 1.00 1.47 N ATOM 0 H LYS A 12 -15.635 -4.724 -6.677 1.00 0.56 H new ATOM 0 HA LYS A 12 -15.389 -6.928 -4.849 1.00 0.53 H new ATOM 0 HB2 LYS A 12 -13.820 -5.630 -6.811 1.00 0.53 H new ATOM 0 HB3 LYS A 12 -12.976 -5.359 -5.300 1.00 0.53 H new ATOM 0 HG2 LYS A 12 -12.579 -7.632 -4.946 1.00 0.86 H new ATOM 0 HG3 LYS A 12 -13.946 -8.138 -5.919 1.00 0.86 H new ATOM 0 HD2 LYS A 12 -12.025 -8.655 -7.224 1.00 0.66 H new ATOM 0 HD3 LYS A 12 -12.703 -7.215 -7.956 1.00 0.66 H new ATOM 0 HE2 LYS A 12 -10.941 -5.885 -7.324 1.00 0.83 H new ATOM 0 HE3 LYS A 12 -10.720 -6.712 -5.795 1.00 0.83 H new ATOM 0 HZ1 LYS A 12 -8.863 -7.102 -7.278 1.00 1.47 H new ATOM 0 HZ2 LYS A 12 -9.679 -8.560 -6.975 1.00 1.47 H new ATOM 0 HZ3 LYS A 12 -9.893 -7.759 -8.457 1.00 1.47 H new ATOM 208 N LEU A 13 -15.069 -3.857 -3.798 1.00 0.48 N ATOM 209 CA LEU A 13 -14.942 -3.016 -2.615 1.00 0.48 C ATOM 210 C LEU A 13 -15.973 -3.400 -1.560 1.00 0.51 C ATOM 211 O LEU A 13 -15.734 -3.253 -0.362 1.00 0.50 O ATOM 212 CB LEU A 13 -15.103 -1.541 -2.993 1.00 0.60 C ATOM 213 CG LEU A 13 -14.031 -0.996 -3.940 1.00 0.61 C ATOM 214 CD1 LEU A 13 -14.356 0.434 -4.346 1.00 0.93 C ATOM 215 CD2 LEU A 13 -12.658 -1.070 -3.289 1.00 0.71 C ATOM 0 H LEU A 13 -15.328 -3.354 -4.646 1.00 0.48 H new ATOM 0 HA LEU A 13 -13.948 -3.170 -2.195 1.00 0.48 H new ATOM 0 HB2 LEU A 13 -16.080 -1.405 -3.457 1.00 0.60 H new ATOM 0 HB3 LEU A 13 -15.098 -0.945 -2.081 1.00 0.60 H new ATOM 0 HG LEU A 13 -14.018 -1.613 -4.839 1.00 0.61 H new ATOM 0 HD11 LEU A 13 -13.583 0.806 -5.019 1.00 0.93 H new ATOM 0 HD12 LEU A 13 -15.321 0.458 -4.852 1.00 0.93 H new ATOM 0 HD13 LEU A 13 -14.397 1.064 -3.458 1.00 0.93 H new ATOM 0 HD21 LEU A 13 -11.908 -0.679 -3.976 1.00 0.71 H new ATOM 0 HD22 LEU A 13 -12.657 -0.477 -2.374 1.00 0.71 H new ATOM 0 HD23 LEU A 13 -12.424 -2.107 -3.049 1.00 0.71 H new ATOM 227 N LYS A 14 -17.124 -3.887 -2.013 1.00 0.61 N ATOM 228 CA LYS A 14 -18.190 -4.294 -1.105 1.00 0.72 C ATOM 229 C LYS A 14 -17.669 -5.288 -0.072 1.00 0.73 C ATOM 230 O LYS A 14 -17.890 -5.126 1.128 1.00 0.79 O ATOM 231 CB LYS A 14 -19.347 -4.914 -1.887 1.00 0.82 C ATOM 232 CG LYS A 14 -20.689 -4.797 -1.182 1.00 0.86 C ATOM 233 CD LYS A 14 -21.660 -5.870 -1.649 1.00 1.29 C ATOM 234 CE LYS A 14 -22.194 -5.569 -3.040 1.00 1.57 C ATOM 235 NZ LYS A 14 -23.682 -5.566 -3.075 1.00 2.01 N ATOM 0 H LYS A 14 -17.342 -4.009 -3.002 1.00 0.61 H new ATOM 0 HA LYS A 14 -18.549 -3.407 -0.584 1.00 0.72 H new ATOM 0 HB2 LYS A 14 -19.415 -4.432 -2.862 1.00 0.82 H new ATOM 0 HB3 LYS A 14 -19.131 -5.967 -2.066 1.00 0.82 H new ATOM 0 HG2 LYS A 14 -20.544 -4.880 -0.105 1.00 0.86 H new ATOM 0 HG3 LYS A 14 -21.116 -3.812 -1.371 1.00 0.86 H new ATOM 0 HD2 LYS A 14 -21.160 -6.839 -1.651 1.00 1.29 H new ATOM 0 HD3 LYS A 14 -22.490 -5.942 -0.947 1.00 1.29 H new ATOM 0 HE2 LYS A 14 -21.821 -4.599 -3.370 1.00 1.57 H new ATOM 0 HE3 LYS A 14 -21.816 -6.312 -3.743 1.00 1.57 H new ATOM 0 HZ1 LYS A 14 -24.006 -5.357 -4.041 1.00 2.01 H new ATOM 0 HZ2 LYS A 14 -24.038 -6.499 -2.785 1.00 2.01 H new ATOM 0 HZ3 LYS A 14 -24.043 -4.840 -2.424 1.00 2.01 H new ATOM 249 N GLU A 15 -16.966 -6.313 -0.546 1.00 0.72 N ATOM 250 CA GLU A 15 -16.393 -7.322 0.339 1.00 0.79 C ATOM 251 C GLU A 15 -15.109 -6.804 0.978 1.00 0.73 C ATOM 252 O GLU A 15 -14.738 -7.214 2.077 1.00 0.77 O ATOM 253 CB GLU A 15 -16.107 -8.609 -0.436 1.00 0.85 C ATOM 254 CG GLU A 15 -17.156 -8.933 -1.485 1.00 1.40 C ATOM 255 CD GLU A 15 -17.711 -10.337 -1.342 1.00 1.73 C ATOM 256 OE1 GLU A 15 -16.971 -11.222 -0.864 1.00 1.86 O ATOM 257 OE2 GLU A 15 -18.886 -10.550 -1.707 1.00 2.35 O ATOM 0 H GLU A 15 -16.780 -6.466 -1.537 1.00 0.72 H new ATOM 0 HA GLU A 15 -17.115 -7.537 1.127 1.00 0.79 H new ATOM 0 HB2 GLU A 15 -15.135 -8.523 -0.921 1.00 0.85 H new ATOM 0 HB3 GLU A 15 -16.040 -9.439 0.267 1.00 0.85 H new ATOM 0 HG2 GLU A 15 -17.972 -8.215 -1.411 1.00 1.40 H new ATOM 0 HG3 GLU A 15 -16.720 -8.818 -2.477 1.00 1.40 H new ATOM 264 N LEU A 16 -14.438 -5.900 0.274 1.00 0.68 N ATOM 265 CA LEU A 16 -13.200 -5.306 0.759 1.00 0.64 C ATOM 266 C LEU A 16 -13.468 -4.011 1.526 1.00 0.55 C ATOM 267 O LEU A 16 -12.550 -3.218 1.730 1.00 0.51 O ATOM 268 CB LEU A 16 -12.251 -5.027 -0.409 1.00 0.68 C ATOM 269 CG LEU A 16 -11.921 -6.240 -1.280 1.00 0.99 C ATOM 270 CD1 LEU A 16 -11.043 -5.829 -2.452 1.00 1.21 C ATOM 271 CD2 LEU A 16 -11.241 -7.322 -0.456 1.00 1.54 C ATOM 0 H LEU A 16 -14.734 -5.561 -0.641 1.00 0.68 H new ATOM 0 HA LEU A 16 -12.735 -6.018 1.441 1.00 0.64 H new ATOM 0 HB2 LEU A 16 -12.693 -4.256 -1.040 1.00 0.68 H new ATOM 0 HB3 LEU A 16 -11.321 -4.620 -0.012 1.00 0.68 H new ATOM 0 HG LEU A 16 -12.853 -6.646 -1.673 1.00 0.99 H new ATOM 0 HD11 LEU A 16 -10.817 -6.704 -3.062 1.00 1.21 H new ATOM 0 HD12 LEU A 16 -11.567 -5.090 -3.058 1.00 1.21 H new ATOM 0 HD13 LEU A 16 -10.114 -5.398 -2.077 1.00 1.21 H new ATOM 0 HD21 LEU A 16 -11.014 -8.176 -1.094 1.00 1.54 H new ATOM 0 HD22 LEU A 16 -10.316 -6.930 -0.033 1.00 1.54 H new ATOM 0 HD23 LEU A 16 -11.904 -7.636 0.350 1.00 1.54 H new ATOM 283 N SER A 17 -14.740 -3.784 1.894 1.00 0.55 N ATOM 284 CA SER A 17 -15.170 -2.567 2.598 1.00 0.51 C ATOM 285 C SER A 17 -14.070 -1.963 3.465 1.00 0.44 C ATOM 286 O SER A 17 -13.953 -2.272 4.650 1.00 0.47 O ATOM 287 CB SER A 17 -16.390 -2.873 3.472 1.00 0.57 C ATOM 288 OG SER A 17 -17.493 -3.286 2.686 1.00 0.72 O ATOM 0 H SER A 17 -15.499 -4.441 1.711 1.00 0.55 H new ATOM 0 HA SER A 17 -15.422 -1.834 1.832 1.00 0.51 H new ATOM 0 HB2 SER A 17 -16.139 -3.654 4.190 1.00 0.57 H new ATOM 0 HB3 SER A 17 -16.661 -1.987 4.046 1.00 0.57 H new ATOM 0 HG SER A 17 -17.346 -4.203 2.372 1.00 0.72 H new ATOM 294 N VAL A 18 -13.275 -1.092 2.856 1.00 0.41 N ATOM 295 CA VAL A 18 -12.188 -0.428 3.556 1.00 0.39 C ATOM 296 C VAL A 18 -12.715 0.664 4.488 1.00 0.41 C ATOM 297 O VAL A 18 -12.010 1.119 5.387 1.00 0.63 O ATOM 298 CB VAL A 18 -11.174 0.178 2.564 1.00 0.45 C ATOM 299 CG1 VAL A 18 -10.708 -0.876 1.572 1.00 0.52 C ATOM 300 CG2 VAL A 18 -11.770 1.375 1.835 1.00 1.10 C ATOM 0 H VAL A 18 -13.365 -0.830 1.874 1.00 0.41 H new ATOM 0 HA VAL A 18 -11.682 -1.184 4.156 1.00 0.39 H new ATOM 0 HB VAL A 18 -10.311 0.527 3.131 1.00 0.45 H new ATOM 0 HG11 VAL A 18 -9.993 -0.433 0.879 1.00 0.52 H new ATOM 0 HG12 VAL A 18 -10.232 -1.696 2.109 1.00 0.52 H new ATOM 0 HG13 VAL A 18 -11.565 -1.256 1.016 1.00 0.52 H new ATOM 0 HG21 VAL A 18 -11.034 1.783 1.142 1.00 1.10 H new ATOM 0 HG22 VAL A 18 -12.654 1.060 1.281 1.00 1.10 H new ATOM 0 HG23 VAL A 18 -12.049 2.140 2.559 1.00 1.10 H new ATOM 310 N GLU A 19 -13.963 1.072 4.271 1.00 0.44 N ATOM 311 CA GLU A 19 -14.589 2.100 5.092 1.00 0.47 C ATOM 312 C GLU A 19 -14.523 1.739 6.572 1.00 0.44 C ATOM 313 O GLU A 19 -14.587 2.611 7.438 1.00 0.53 O ATOM 314 CB GLU A 19 -16.046 2.282 4.670 1.00 0.51 C ATOM 315 CG GLU A 19 -16.782 0.967 4.470 1.00 0.50 C ATOM 316 CD GLU A 19 -17.974 0.818 5.395 1.00 0.81 C ATOM 317 OE1 GLU A 19 -17.793 0.961 6.623 1.00 1.39 O ATOM 318 OE2 GLU A 19 -19.087 0.559 4.893 1.00 1.36 O ATOM 0 H GLU A 19 -14.561 0.704 3.531 1.00 0.44 H new ATOM 0 HA GLU A 19 -14.044 3.033 4.944 1.00 0.47 H new ATOM 0 HB2 GLU A 19 -16.566 2.870 5.427 1.00 0.51 H new ATOM 0 HB3 GLU A 19 -16.080 2.854 3.743 1.00 0.51 H new ATOM 0 HG2 GLU A 19 -17.119 0.897 3.436 1.00 0.50 H new ATOM 0 HG3 GLU A 19 -16.092 0.140 4.637 1.00 0.50 H new ATOM 325 N LYS A 20 -14.413 0.444 6.855 1.00 0.38 N ATOM 326 CA LYS A 20 -14.350 -0.033 8.235 1.00 0.38 C ATOM 327 C LYS A 20 -12.917 -0.358 8.660 1.00 0.34 C ATOM 328 O LYS A 20 -12.672 -0.703 9.816 1.00 0.39 O ATOM 329 CB LYS A 20 -15.238 -1.271 8.414 1.00 0.42 C ATOM 330 CG LYS A 20 -15.330 -2.150 7.177 1.00 0.51 C ATOM 331 CD LYS A 20 -16.185 -3.381 7.431 1.00 0.54 C ATOM 332 CE LYS A 20 -15.418 -4.661 7.137 1.00 1.69 C ATOM 333 NZ LYS A 20 -15.842 -5.778 8.026 1.00 2.00 N ATOM 0 H LYS A 20 -14.366 -0.292 6.151 1.00 0.38 H new ATOM 0 HA LYS A 20 -14.715 0.772 8.873 1.00 0.38 H new ATOM 0 HB2 LYS A 20 -14.852 -1.866 9.242 1.00 0.42 H new ATOM 0 HB3 LYS A 20 -16.241 -0.949 8.694 1.00 0.42 H new ATOM 0 HG2 LYS A 20 -15.752 -1.576 6.352 1.00 0.51 H new ATOM 0 HG3 LYS A 20 -14.330 -2.457 6.872 1.00 0.51 H new ATOM 0 HD2 LYS A 20 -16.519 -3.386 8.468 1.00 0.54 H new ATOM 0 HD3 LYS A 20 -17.079 -3.340 6.808 1.00 0.54 H new ATOM 0 HE2 LYS A 20 -15.573 -4.946 6.096 1.00 1.69 H new ATOM 0 HE3 LYS A 20 -14.350 -4.482 7.263 1.00 1.69 H new ATOM 0 HZ1 LYS A 20 -15.296 -6.632 7.794 1.00 2.00 H new ATOM 0 HZ2 LYS A 20 -15.671 -5.516 9.018 1.00 2.00 H new ATOM 0 HZ3 LYS A 20 -16.855 -5.966 7.887 1.00 2.00 H new ATOM 347 N TRP A 21 -11.969 -0.241 7.731 1.00 0.31 N ATOM 348 CA TRP A 21 -10.571 -0.527 8.032 1.00 0.32 C ATOM 349 C TRP A 21 -9.871 0.714 8.580 1.00 0.31 C ATOM 350 O TRP A 21 -10.345 1.834 8.392 1.00 0.39 O ATOM 351 CB TRP A 21 -9.844 -1.015 6.777 1.00 0.35 C ATOM 352 CG TRP A 21 -10.538 -2.137 6.064 1.00 0.33 C ATOM 353 CD1 TRP A 21 -11.737 -2.708 6.385 1.00 0.34 C ATOM 354 CD2 TRP A 21 -10.071 -2.821 4.894 1.00 0.35 C ATOM 355 NE1 TRP A 21 -12.042 -3.703 5.488 1.00 0.36 N ATOM 356 CE2 TRP A 21 -11.036 -3.789 4.561 1.00 0.37 C ATOM 357 CE3 TRP A 21 -8.934 -2.698 4.089 1.00 0.39 C ATOM 358 CZ2 TRP A 21 -10.892 -4.638 3.465 1.00 0.43 C ATOM 359 CZ3 TRP A 21 -8.792 -3.542 3.004 1.00 0.44 C ATOM 360 CH2 TRP A 21 -9.766 -4.499 2.699 1.00 0.46 C ATOM 0 H TRP A 21 -12.144 0.049 6.769 1.00 0.31 H new ATOM 0 HA TRP A 21 -10.543 -1.310 8.790 1.00 0.32 H new ATOM 0 HB2 TRP A 21 -9.728 -0.178 6.089 1.00 0.35 H new ATOM 0 HB3 TRP A 21 -8.841 -1.340 7.054 1.00 0.35 H new ATOM 0 HD1 TRP A 21 -12.355 -2.419 7.222 1.00 0.34 H new ATOM 0 HE1 TRP A 21 -12.881 -4.283 5.509 1.00 0.36 H new ATOM 0 HE3 TRP A 21 -8.181 -1.957 4.311 1.00 0.39 H new ATOM 0 HZ2 TRP A 21 -11.642 -5.379 3.229 1.00 0.43 H new ATOM 0 HZ3 TRP A 21 -7.914 -3.461 2.381 1.00 0.44 H new ATOM 0 HH2 TRP A 21 -9.627 -5.141 1.842 1.00 0.46 H new ATOM 371 N PRO A 22 -8.723 0.534 9.255 1.00 0.34 N ATOM 372 CA PRO A 22 -7.960 1.651 9.815 1.00 0.39 C ATOM 373 C PRO A 22 -7.756 2.774 8.807 1.00 0.34 C ATOM 374 O PRO A 22 -8.115 2.645 7.636 1.00 0.48 O ATOM 375 CB PRO A 22 -6.617 1.017 10.180 1.00 0.51 C ATOM 376 CG PRO A 22 -6.928 -0.418 10.430 1.00 0.42 C ATOM 377 CD PRO A 22 -8.079 -0.767 9.522 1.00 0.45 C ATOM 0 HA PRO A 22 -8.474 2.112 10.659 1.00 0.39 H new ATOM 0 HB2 PRO A 22 -5.894 1.130 9.372 1.00 0.51 H new ATOM 0 HB3 PRO A 22 -6.185 1.488 11.063 1.00 0.51 H new ATOM 0 HG2 PRO A 22 -6.062 -1.046 10.219 1.00 0.42 H new ATOM 0 HG3 PRO A 22 -7.193 -0.582 11.474 1.00 0.42 H new ATOM 0 HD2 PRO A 22 -7.734 -1.239 8.602 1.00 0.45 H new ATOM 0 HD3 PRO A 22 -8.768 -1.464 9.999 1.00 0.45 H new ATOM 385 N ILE A 23 -7.171 3.873 9.268 1.00 0.38 N ATOM 386 CA ILE A 23 -6.900 5.016 8.405 1.00 0.36 C ATOM 387 C ILE A 23 -5.454 5.473 8.561 1.00 0.31 C ATOM 388 O ILE A 23 -4.958 5.616 9.679 1.00 0.32 O ATOM 389 CB ILE A 23 -7.840 6.195 8.717 1.00 0.47 C ATOM 390 CG1 ILE A 23 -9.274 5.695 8.900 1.00 1.15 C ATOM 391 CG2 ILE A 23 -7.773 7.234 7.609 1.00 0.97 C ATOM 392 CD1 ILE A 23 -9.870 5.097 7.644 1.00 1.60 C ATOM 0 H ILE A 23 -6.875 3.997 10.236 1.00 0.38 H new ATOM 0 HA ILE A 23 -7.074 4.694 7.378 1.00 0.36 H new ATOM 0 HB ILE A 23 -7.516 6.663 9.646 1.00 0.47 H new ATOM 0 HG12 ILE A 23 -9.291 4.947 9.693 1.00 1.15 H new ATOM 0 HG13 ILE A 23 -9.900 6.524 9.231 1.00 1.15 H new ATOM 0 HG21 ILE A 23 -8.443 8.061 7.845 1.00 0.97 H new ATOM 0 HG22 ILE A 23 -6.753 7.607 7.522 1.00 0.97 H new ATOM 0 HG23 ILE A 23 -8.075 6.780 6.665 1.00 0.97 H new ATOM 0 HD11 ILE A 23 -10.888 4.764 7.847 1.00 1.60 H new ATOM 0 HD12 ILE A 23 -9.885 5.849 6.855 1.00 1.60 H new ATOM 0 HD13 ILE A 23 -9.267 4.247 7.324 1.00 1.60 H new ATOM 404 N TRP A 24 -4.777 5.685 7.438 1.00 0.31 N ATOM 405 CA TRP A 24 -3.380 6.099 7.465 1.00 0.31 C ATOM 406 C TRP A 24 -3.151 7.354 6.630 1.00 0.31 C ATOM 407 O TRP A 24 -3.611 7.452 5.493 1.00 0.44 O ATOM 408 CB TRP A 24 -2.487 4.966 6.953 1.00 0.38 C ATOM 409 CG TRP A 24 -1.163 4.898 7.649 1.00 0.38 C ATOM 410 CD1 TRP A 24 -0.944 4.900 8.997 1.00 0.47 C ATOM 411 CD2 TRP A 24 0.129 4.827 7.033 1.00 0.44 C ATOM 412 NE1 TRP A 24 0.404 4.831 9.255 1.00 0.55 N ATOM 413 CE2 TRP A 24 1.083 4.785 8.067 1.00 0.51 C ATOM 414 CE3 TRP A 24 0.570 4.792 5.706 1.00 0.55 C ATOM 415 CZ2 TRP A 24 2.450 4.710 7.816 1.00 0.61 C ATOM 416 CZ3 TRP A 24 1.928 4.718 5.460 1.00 0.66 C ATOM 417 CH2 TRP A 24 2.854 4.678 6.509 1.00 0.66 C ATOM 0 H TRP A 24 -5.170 5.578 6.503 1.00 0.31 H new ATOM 0 HA TRP A 24 -3.122 6.330 8.499 1.00 0.31 H new ATOM 0 HB2 TRP A 24 -3.007 4.016 7.081 1.00 0.38 H new ATOM 0 HB3 TRP A 24 -2.322 5.097 5.884 1.00 0.38 H new ATOM 0 HD1 TRP A 24 -1.717 4.949 9.750 1.00 0.47 H new ATOM 0 HE1 TRP A 24 0.830 4.816 10.182 1.00 0.55 H new ATOM 0 HE3 TRP A 24 -0.137 4.822 4.890 1.00 0.55 H new ATOM 0 HZ2 TRP A 24 3.166 4.678 8.624 1.00 0.61 H new ATOM 0 HZ3 TRP A 24 2.281 4.691 4.440 1.00 0.66 H new ATOM 0 HH2 TRP A 24 3.908 4.621 6.282 1.00 0.66 H new ATOM 428 N GLU A 25 -2.420 8.306 7.202 1.00 0.34 N ATOM 429 CA GLU A 25 -2.096 9.551 6.513 1.00 0.36 C ATOM 430 C GLU A 25 -0.585 9.765 6.494 1.00 0.37 C ATOM 431 O GLU A 25 0.079 9.629 7.521 1.00 0.42 O ATOM 432 CB GLU A 25 -2.785 10.733 7.198 1.00 0.39 C ATOM 433 CG GLU A 25 -2.858 10.603 8.711 1.00 0.98 C ATOM 434 CD GLU A 25 -1.533 10.902 9.385 1.00 1.52 C ATOM 435 OE1 GLU A 25 -1.038 12.038 9.241 1.00 1.91 O ATOM 436 OE2 GLU A 25 -0.992 9.998 10.056 1.00 2.05 O ATOM 0 H GLU A 25 -2.039 8.238 8.146 1.00 0.34 H new ATOM 0 HA GLU A 25 -2.456 9.484 5.486 1.00 0.36 H new ATOM 0 HB2 GLU A 25 -2.251 11.649 6.946 1.00 0.39 H new ATOM 0 HB3 GLU A 25 -3.795 10.833 6.801 1.00 0.39 H new ATOM 0 HG2 GLU A 25 -3.618 11.283 9.094 1.00 0.98 H new ATOM 0 HG3 GLU A 25 -3.174 9.593 8.971 1.00 0.98 H new ATOM 443 N LYS A 26 -0.042 10.083 5.322 1.00 0.39 N ATOM 444 CA LYS A 26 1.397 10.276 5.189 1.00 0.44 C ATOM 445 C LYS A 26 1.731 11.475 4.304 1.00 0.40 C ATOM 446 O LYS A 26 1.060 11.739 3.308 1.00 0.44 O ATOM 447 CB LYS A 26 2.045 9.015 4.613 1.00 0.51 C ATOM 448 CG LYS A 26 3.556 9.116 4.472 1.00 0.58 C ATOM 449 CD LYS A 26 4.255 8.890 5.802 1.00 1.19 C ATOM 450 CE LYS A 26 5.744 9.178 5.708 1.00 1.62 C ATOM 451 NZ LYS A 26 6.211 10.064 6.809 1.00 2.39 N ATOM 0 H LYS A 26 -0.571 10.211 4.459 1.00 0.39 H new ATOM 0 HA LYS A 26 1.794 10.473 6.185 1.00 0.44 H new ATOM 0 HB2 LYS A 26 1.804 8.168 5.255 1.00 0.51 H new ATOM 0 HB3 LYS A 26 1.610 8.808 3.635 1.00 0.51 H new ATOM 0 HG2 LYS A 26 3.905 8.381 3.747 1.00 0.58 H new ATOM 0 HG3 LYS A 26 3.821 10.099 4.083 1.00 0.58 H new ATOM 0 HD2 LYS A 26 3.807 9.530 6.562 1.00 1.19 H new ATOM 0 HD3 LYS A 26 4.103 7.860 6.123 1.00 1.19 H new ATOM 0 HE2 LYS A 26 6.297 8.239 5.738 1.00 1.62 H new ATOM 0 HE3 LYS A 26 5.963 9.646 4.748 1.00 1.62 H new ATOM 0 HZ1 LYS A 26 7.232 10.235 6.707 1.00 2.39 H new ATOM 0 HZ2 LYS A 26 5.702 10.970 6.765 1.00 2.39 H new ATOM 0 HZ3 LYS A 26 6.026 9.607 7.725 1.00 2.39 H new ATOM 465 N GLU A 27 2.796 12.180 4.676 1.00 0.49 N ATOM 466 CA GLU A 27 3.270 13.335 3.922 1.00 0.49 C ATOM 467 C GLU A 27 4.233 12.902 2.835 1.00 0.44 C ATOM 468 O GLU A 27 4.794 11.807 2.890 1.00 0.77 O ATOM 469 CB GLU A 27 3.945 14.344 4.854 1.00 0.72 C ATOM 470 CG GLU A 27 4.946 13.715 5.810 1.00 1.25 C ATOM 471 CD GLU A 27 5.754 14.745 6.576 1.00 1.93 C ATOM 472 OE1 GLU A 27 5.220 15.313 7.551 1.00 2.64 O ATOM 473 OE2 GLU A 27 6.918 14.988 6.195 1.00 2.20 O ATOM 0 H GLU A 27 3.352 11.968 5.504 1.00 0.49 H new ATOM 0 HA GLU A 27 2.410 13.814 3.454 1.00 0.49 H new ATOM 0 HB2 GLU A 27 4.454 15.098 4.253 1.00 0.72 H new ATOM 0 HB3 GLU A 27 3.179 14.861 5.432 1.00 0.72 H new ATOM 0 HG2 GLU A 27 4.415 13.077 6.517 1.00 1.25 H new ATOM 0 HG3 GLU A 27 5.624 13.073 5.248 1.00 1.25 H new ATOM 480 N VAL A 28 4.395 13.750 1.829 1.00 0.34 N ATOM 481 CA VAL A 28 5.241 13.447 0.678 1.00 0.26 C ATOM 482 C VAL A 28 6.736 13.291 1.024 1.00 0.28 C ATOM 483 O VAL A 28 7.589 13.882 0.361 1.00 0.43 O ATOM 484 CB VAL A 28 5.085 14.552 -0.386 1.00 0.29 C ATOM 485 CG1 VAL A 28 3.618 14.834 -0.640 1.00 0.37 C ATOM 486 CG2 VAL A 28 5.809 15.829 0.023 1.00 1.00 C ATOM 0 H VAL A 28 3.946 14.665 1.785 1.00 0.34 H new ATOM 0 HA VAL A 28 4.903 12.482 0.300 1.00 0.26 H new ATOM 0 HB VAL A 28 5.542 14.193 -1.308 1.00 0.29 H new ATOM 0 HG11 VAL A 28 3.523 15.616 -1.393 1.00 0.37 H new ATOM 0 HG12 VAL A 28 3.129 13.927 -0.995 1.00 0.37 H new ATOM 0 HG13 VAL A 28 3.145 15.162 0.286 1.00 0.37 H new ATOM 0 HG21 VAL A 28 5.677 16.586 -0.751 1.00 1.00 H new ATOM 0 HG22 VAL A 28 5.397 16.196 0.963 1.00 1.00 H new ATOM 0 HG23 VAL A 28 6.871 15.620 0.149 1.00 1.00 H new ATOM 496 N SER A 29 7.059 12.521 2.063 1.00 0.29 N ATOM 497 CA SER A 29 8.449 12.279 2.428 1.00 0.40 C ATOM 498 C SER A 29 8.962 11.002 1.769 1.00 0.35 C ATOM 499 O SER A 29 8.363 10.497 0.820 1.00 0.35 O ATOM 500 CB SER A 29 8.588 12.176 3.948 1.00 0.56 C ATOM 501 OG SER A 29 7.761 13.122 4.604 1.00 1.09 O ATOM 0 H SER A 29 6.377 12.057 2.663 1.00 0.29 H new ATOM 0 HA SER A 29 9.048 13.118 2.074 1.00 0.40 H new ATOM 0 HB2 SER A 29 8.322 11.170 4.273 1.00 0.56 H new ATOM 0 HB3 SER A 29 9.628 12.339 4.233 1.00 0.56 H new ATOM 0 HG SER A 29 8.259 13.538 5.338 1.00 1.09 H new ATOM 507 N GLU A 30 10.059 10.471 2.299 1.00 0.42 N ATOM 508 CA GLU A 30 10.615 9.211 1.818 1.00 0.41 C ATOM 509 C GLU A 30 11.192 8.424 2.990 1.00 0.50 C ATOM 510 O GLU A 30 12.014 8.941 3.747 1.00 0.70 O ATOM 511 CB GLU A 30 11.704 9.466 0.769 1.00 0.61 C ATOM 512 CG GLU A 30 11.452 10.691 -0.097 1.00 0.76 C ATOM 513 CD GLU A 30 12.065 11.951 0.481 1.00 1.14 C ATOM 514 OE1 GLU A 30 11.861 12.214 1.685 1.00 1.70 O ATOM 515 OE2 GLU A 30 12.750 12.676 -0.271 1.00 1.60 O ATOM 0 H GLU A 30 10.582 10.896 3.065 1.00 0.42 H new ATOM 0 HA GLU A 30 9.818 8.632 1.351 1.00 0.41 H new ATOM 0 HB2 GLU A 30 12.662 9.582 1.275 1.00 0.61 H new ATOM 0 HB3 GLU A 30 11.788 8.590 0.126 1.00 0.61 H new ATOM 0 HG2 GLU A 30 11.860 10.517 -1.093 1.00 0.76 H new ATOM 0 HG3 GLU A 30 10.378 10.834 -0.213 1.00 0.76 H new ATOM 522 N PHE A 31 10.744 7.184 3.154 1.00 0.46 N ATOM 523 CA PHE A 31 11.200 6.354 4.264 1.00 0.63 C ATOM 524 C PHE A 31 11.753 5.013 3.791 1.00 0.58 C ATOM 525 O PHE A 31 11.297 4.456 2.793 1.00 0.48 O ATOM 526 CB PHE A 31 10.057 6.120 5.256 1.00 0.83 C ATOM 527 CG PHE A 31 8.731 5.856 4.603 1.00 0.84 C ATOM 528 CD1 PHE A 31 8.070 6.861 3.915 1.00 0.79 C ATOM 529 CD2 PHE A 31 8.140 4.605 4.685 1.00 1.70 C ATOM 530 CE1 PHE A 31 6.849 6.622 3.316 1.00 1.49 C ATOM 531 CE2 PHE A 31 6.917 4.360 4.088 1.00 2.52 C ATOM 532 CZ PHE A 31 6.271 5.370 3.403 1.00 2.40 C ATOM 0 H PHE A 31 10.069 6.733 2.536 1.00 0.46 H new ATOM 0 HA PHE A 31 12.010 6.892 4.756 1.00 0.63 H new ATOM 0 HB2 PHE A 31 10.311 5.275 5.895 1.00 0.83 H new ATOM 0 HB3 PHE A 31 9.965 6.993 5.903 1.00 0.83 H new ATOM 0 HD1 PHE A 31 8.515 7.843 3.846 1.00 0.79 H new ATOM 0 HD2 PHE A 31 8.640 3.812 5.221 1.00 1.70 H new ATOM 0 HE1 PHE A 31 6.346 7.413 2.780 1.00 1.49 H new ATOM 0 HE2 PHE A 31 6.468 3.380 4.157 1.00 2.52 H new ATOM 0 HZ PHE A 31 5.316 5.182 2.936 1.00 2.40 H new ATOM 542 N ASP A 32 12.721 4.491 4.540 1.00 0.73 N ATOM 543 CA ASP A 32 13.298 3.182 4.256 1.00 0.74 C ATOM 544 C ASP A 32 12.839 2.186 5.315 1.00 0.90 C ATOM 545 O ASP A 32 13.405 2.122 6.406 1.00 1.42 O ATOM 546 CB ASP A 32 14.826 3.260 4.234 1.00 1.06 C ATOM 547 CG ASP A 32 15.435 2.363 3.174 1.00 2.02 C ATOM 548 OD1 ASP A 32 15.134 1.151 3.178 1.00 2.36 O ATOM 549 OD2 ASP A 32 16.214 2.872 2.341 1.00 2.89 O ATOM 0 H ASP A 32 13.123 4.958 5.352 1.00 0.73 H new ATOM 0 HA ASP A 32 12.959 2.851 3.274 1.00 0.74 H new ATOM 0 HB2 ASP A 32 15.132 4.291 4.054 1.00 1.06 H new ATOM 0 HB3 ASP A 32 15.216 2.978 5.212 1.00 1.06 H new ATOM 554 N TRP A 33 11.784 1.437 5.006 1.00 0.63 N ATOM 555 CA TRP A 33 11.204 0.507 5.968 1.00 0.93 C ATOM 556 C TRP A 33 11.352 -0.947 5.521 1.00 0.61 C ATOM 557 O TRP A 33 11.546 -1.237 4.341 1.00 0.45 O ATOM 558 CB TRP A 33 9.724 0.858 6.191 1.00 1.36 C ATOM 559 CG TRP A 33 8.930 -0.211 6.883 1.00 1.58 C ATOM 560 CD1 TRP A 33 9.000 -0.568 8.199 1.00 2.21 C ATOM 561 CD2 TRP A 33 7.948 -1.061 6.286 1.00 1.38 C ATOM 562 NE1 TRP A 33 8.118 -1.592 8.455 1.00 2.32 N ATOM 563 CE2 TRP A 33 7.460 -1.911 7.295 1.00 1.76 C ATOM 564 CE3 TRP A 33 7.435 -1.186 4.993 1.00 1.34 C ATOM 565 CZ2 TRP A 33 6.483 -2.872 7.050 1.00 1.72 C ATOM 566 CZ3 TRP A 33 6.465 -2.137 4.750 1.00 1.52 C ATOM 567 CH2 TRP A 33 5.997 -2.971 5.774 1.00 1.51 C ATOM 0 H TRP A 33 11.315 1.456 4.100 1.00 0.63 H new ATOM 0 HA TRP A 33 11.749 0.606 6.907 1.00 0.93 H new ATOM 0 HB2 TRP A 33 9.665 1.775 6.778 1.00 1.36 H new ATOM 0 HB3 TRP A 33 9.264 1.068 5.226 1.00 1.36 H new ATOM 0 HD1 TRP A 33 9.652 -0.114 8.931 1.00 2.21 H new ATOM 0 HE1 TRP A 33 7.977 -2.041 9.360 1.00 2.32 H new ATOM 0 HE3 TRP A 33 7.791 -0.549 4.197 1.00 1.34 H new ATOM 0 HZ2 TRP A 33 6.122 -3.516 7.838 1.00 1.72 H new ATOM 0 HZ3 TRP A 33 6.060 -2.240 3.754 1.00 1.52 H new ATOM 0 HH2 TRP A 33 5.238 -3.706 5.552 1.00 1.51 H new ATOM 578 N TYR A 34 11.247 -1.851 6.492 1.00 0.69 N ATOM 579 CA TYR A 34 11.355 -3.283 6.243 1.00 0.52 C ATOM 580 C TYR A 34 10.063 -3.990 6.653 1.00 0.54 C ATOM 581 O TYR A 34 9.455 -3.649 7.667 1.00 0.68 O ATOM 582 CB TYR A 34 12.556 -3.852 7.014 1.00 0.70 C ATOM 583 CG TYR A 34 12.546 -5.358 7.183 1.00 0.67 C ATOM 584 CD1 TYR A 34 12.774 -6.200 6.103 1.00 0.86 C ATOM 585 CD2 TYR A 34 12.319 -5.933 8.427 1.00 0.78 C ATOM 586 CE1 TYR A 34 12.772 -7.574 6.258 1.00 0.98 C ATOM 587 CE2 TYR A 34 12.315 -7.304 8.590 1.00 0.87 C ATOM 588 CZ TYR A 34 12.540 -8.120 7.502 1.00 0.88 C ATOM 589 OH TYR A 34 12.536 -9.487 7.659 1.00 1.07 O ATOM 0 H TYR A 34 11.085 -1.611 7.470 1.00 0.69 H new ATOM 0 HA TYR A 34 11.511 -3.453 5.178 1.00 0.52 H new ATOM 0 HB2 TYR A 34 13.471 -3.564 6.497 1.00 0.70 H new ATOM 0 HB3 TYR A 34 12.589 -3.390 8.001 1.00 0.70 H new ATOM 0 HD1 TYR A 34 12.956 -5.775 5.127 1.00 0.86 H new ATOM 0 HD2 TYR A 34 12.143 -5.297 9.282 1.00 0.78 H new ATOM 0 HE1 TYR A 34 12.951 -8.216 5.408 1.00 0.98 H new ATOM 0 HE2 TYR A 34 12.137 -7.735 9.564 1.00 0.87 H new ATOM 0 HH TYR A 34 12.359 -9.708 8.597 1.00 1.07 H new ATOM 599 N TYR A 35 9.650 -4.973 5.859 1.00 0.46 N ATOM 600 CA TYR A 35 8.421 -5.711 6.133 1.00 0.52 C ATOM 601 C TYR A 35 8.654 -6.821 7.152 1.00 0.55 C ATOM 602 O TYR A 35 9.734 -7.406 7.212 1.00 0.73 O ATOM 603 CB TYR A 35 7.865 -6.306 4.839 1.00 0.51 C ATOM 604 CG TYR A 35 6.497 -5.793 4.479 1.00 0.79 C ATOM 605 CD1 TYR A 35 5.364 -6.249 5.138 1.00 1.06 C ATOM 606 CD2 TYR A 35 6.340 -4.847 3.479 1.00 1.33 C ATOM 607 CE1 TYR A 35 4.111 -5.778 4.807 1.00 1.31 C ATOM 608 CE2 TYR A 35 5.092 -4.369 3.141 1.00 1.67 C ATOM 609 CZ TYR A 35 3.968 -4.856 3.822 1.00 1.50 C ATOM 610 OH TYR A 35 2.731 -4.365 3.473 1.00 1.87 O ATOM 0 H TYR A 35 10.147 -5.277 5.022 1.00 0.46 H new ATOM 0 HA TYR A 35 7.698 -5.011 6.552 1.00 0.52 H new ATOM 0 HB2 TYR A 35 8.553 -6.086 4.023 1.00 0.51 H new ATOM 0 HB3 TYR A 35 7.823 -7.391 4.936 1.00 0.51 H new ATOM 0 HD1 TYR A 35 5.465 -6.984 5.922 1.00 1.06 H new ATOM 0 HD2 TYR A 35 7.210 -4.478 2.956 1.00 1.33 H new ATOM 0 HE1 TYR A 35 3.242 -6.144 5.333 1.00 1.31 H new ATOM 0 HE2 TYR A 35 4.982 -3.629 2.362 1.00 1.67 H new ATOM 0 HH TYR A 35 2.767 -4.006 2.562 1.00 1.87 H new ATOM 620 N ASP A 36 7.623 -7.119 7.940 1.00 0.56 N ATOM 621 CA ASP A 36 7.716 -8.163 8.955 1.00 0.68 C ATOM 622 C ASP A 36 6.353 -8.796 9.241 1.00 0.67 C ATOM 623 O ASP A 36 6.176 -9.458 10.264 1.00 0.88 O ATOM 624 CB ASP A 36 8.302 -7.589 10.245 1.00 0.85 C ATOM 625 CG ASP A 36 9.187 -8.582 10.973 1.00 1.30 C ATOM 626 OD1 ASP A 36 9.747 -9.477 10.307 1.00 2.12 O ATOM 627 OD2 ASP A 36 9.318 -8.465 12.210 1.00 1.59 O ATOM 0 H ASP A 36 6.717 -6.653 7.895 1.00 0.56 H new ATOM 0 HA ASP A 36 8.373 -8.942 8.569 1.00 0.68 H new ATOM 0 HB2 ASP A 36 8.880 -6.695 10.011 1.00 0.85 H new ATOM 0 HB3 ASP A 36 7.490 -7.280 10.903 1.00 0.85 H new ATOM 632 N THR A 37 5.397 -8.605 8.330 1.00 0.64 N ATOM 633 CA THR A 37 4.058 -9.168 8.490 1.00 0.64 C ATOM 634 C THR A 37 3.257 -9.046 7.197 1.00 0.66 C ATOM 635 O THR A 37 3.242 -7.988 6.568 1.00 0.92 O ATOM 636 CB THR A 37 3.301 -8.456 9.618 1.00 0.72 C ATOM 637 OG1 THR A 37 4.072 -8.420 10.805 1.00 1.70 O ATOM 638 CG2 THR A 37 1.975 -9.102 9.949 1.00 1.49 C ATOM 0 H THR A 37 5.527 -8.065 7.475 1.00 0.64 H new ATOM 0 HA THR A 37 4.174 -10.222 8.741 1.00 0.64 H new ATOM 0 HB THR A 37 3.114 -7.449 9.244 1.00 0.72 H new ATOM 0 HG1 THR A 37 4.634 -9.221 10.854 1.00 1.70 H new ATOM 0 HG21 THR A 37 1.492 -8.549 10.755 1.00 1.49 H new ATOM 0 HG22 THR A 37 1.335 -9.091 9.067 1.00 1.49 H new ATOM 0 HG23 THR A 37 2.141 -10.132 10.265 1.00 1.49 H new ATOM 646 N ASN A 38 2.573 -10.121 6.818 1.00 0.52 N ATOM 647 CA ASN A 38 1.737 -10.102 5.622 1.00 0.56 C ATOM 648 C ASN A 38 0.667 -9.026 5.758 1.00 0.65 C ATOM 649 O ASN A 38 -0.230 -9.136 6.594 1.00 0.82 O ATOM 650 CB ASN A 38 1.086 -11.469 5.398 1.00 0.59 C ATOM 651 CG ASN A 38 2.030 -12.459 4.742 1.00 1.06 C ATOM 652 OD1 ASN A 38 2.969 -12.947 5.370 1.00 2.08 O ATOM 653 ND2 ASN A 38 1.785 -12.757 3.472 1.00 1.04 N ATOM 0 H ASN A 38 2.580 -11.010 7.317 1.00 0.52 H new ATOM 0 HA ASN A 38 2.364 -9.876 4.760 1.00 0.56 H new ATOM 0 HB2 ASN A 38 0.751 -11.870 6.355 1.00 0.59 H new ATOM 0 HB3 ASN A 38 0.200 -11.349 4.775 1.00 0.59 H new ATOM 0 HD21 ASN A 38 2.387 -13.415 2.977 1.00 1.04 H new ATOM 0 HD22 ASN A 38 0.995 -12.328 2.991 1.00 1.04 H new ATOM 660 N GLU A 39 0.784 -7.971 4.961 1.00 0.59 N ATOM 661 CA GLU A 39 -0.146 -6.851 5.051 1.00 0.69 C ATOM 662 C GLU A 39 -0.844 -6.573 3.722 1.00 0.54 C ATOM 663 O GLU A 39 -0.295 -6.818 2.648 1.00 0.60 O ATOM 664 CB GLU A 39 0.604 -5.598 5.522 1.00 0.94 C ATOM 665 CG GLU A 39 -0.197 -4.311 5.403 1.00 0.81 C ATOM 666 CD GLU A 39 0.224 -3.265 6.416 1.00 1.14 C ATOM 667 OE1 GLU A 39 0.991 -3.609 7.340 1.00 1.36 O ATOM 668 OE2 GLU A 39 -0.214 -2.102 6.287 1.00 1.45 O ATOM 0 H GLU A 39 1.508 -7.867 4.250 1.00 0.59 H new ATOM 0 HA GLU A 39 -0.918 -7.117 5.773 1.00 0.69 H new ATOM 0 HB2 GLU A 39 0.899 -5.734 6.562 1.00 0.94 H new ATOM 0 HB3 GLU A 39 1.521 -5.497 4.941 1.00 0.94 H new ATOM 0 HG2 GLU A 39 -0.079 -3.906 4.398 1.00 0.81 H new ATOM 0 HG3 GLU A 39 -1.256 -4.533 5.535 1.00 0.81 H new ATOM 675 N THR A 40 -2.053 -6.025 3.818 1.00 0.43 N ATOM 676 CA THR A 40 -2.837 -5.649 2.649 1.00 0.35 C ATOM 677 C THR A 40 -3.525 -4.309 2.898 1.00 0.36 C ATOM 678 O THR A 40 -4.350 -4.186 3.803 1.00 0.41 O ATOM 679 CB THR A 40 -3.875 -6.727 2.328 1.00 0.31 C ATOM 680 OG1 THR A 40 -3.247 -7.983 2.131 1.00 0.40 O ATOM 681 CG2 THR A 40 -4.694 -6.425 1.092 1.00 0.40 C ATOM 0 H THR A 40 -2.514 -5.830 4.707 1.00 0.43 H new ATOM 0 HA THR A 40 -2.168 -5.553 1.794 1.00 0.35 H new ATOM 0 HB THR A 40 -4.544 -6.748 3.188 1.00 0.31 H new ATOM 0 HG1 THR A 40 -3.926 -8.660 1.928 1.00 0.40 H new ATOM 0 HG21 THR A 40 -5.409 -7.230 0.924 1.00 0.40 H new ATOM 0 HG22 THR A 40 -5.230 -5.486 1.231 1.00 0.40 H new ATOM 0 HG23 THR A 40 -4.033 -6.341 0.229 1.00 0.40 H new ATOM 689 N CYS A 41 -3.146 -3.295 2.127 1.00 0.34 N ATOM 690 CA CYS A 41 -3.698 -1.955 2.302 1.00 0.33 C ATOM 691 C CYS A 41 -4.344 -1.452 1.015 1.00 0.30 C ATOM 692 O CYS A 41 -4.069 -1.960 -0.073 1.00 0.31 O ATOM 693 CB CYS A 41 -2.609 -0.978 2.752 1.00 0.36 C ATOM 694 SG CYS A 41 -0.954 -1.347 2.118 1.00 0.63 S ATOM 0 H CYS A 41 -2.460 -3.375 1.376 1.00 0.34 H new ATOM 0 HA CYS A 41 -4.466 -2.013 3.074 1.00 0.33 H new ATOM 0 HB2 CYS A 41 -2.889 0.027 2.436 1.00 0.36 H new ATOM 0 HB3 CYS A 41 -2.573 -0.972 3.841 1.00 0.36 H new ATOM 0 HG CYS A 41 -0.063 -0.773 2.871 1.00 0.63 H new ATOM 700 N TYR A 42 -5.205 -0.450 1.151 1.00 0.27 N ATOM 701 CA TYR A 42 -5.903 0.131 0.011 1.00 0.26 C ATOM 702 C TYR A 42 -5.620 1.631 -0.082 1.00 0.24 C ATOM 703 O TYR A 42 -5.910 2.384 0.847 1.00 0.26 O ATOM 704 CB TYR A 42 -7.415 -0.140 0.143 1.00 0.26 C ATOM 705 CG TYR A 42 -8.316 0.852 -0.572 1.00 0.27 C ATOM 706 CD1 TYR A 42 -8.554 2.114 -0.041 1.00 0.28 C ATOM 707 CD2 TYR A 42 -8.917 0.527 -1.784 1.00 0.39 C ATOM 708 CE1 TYR A 42 -9.369 3.020 -0.693 1.00 0.36 C ATOM 709 CE2 TYR A 42 -9.732 1.427 -2.440 1.00 0.43 C ATOM 710 CZ TYR A 42 -9.979 2.665 -1.870 1.00 0.39 C ATOM 711 OH TYR A 42 -10.768 3.572 -2.543 1.00 0.47 O ATOM 0 H TYR A 42 -5.437 -0.021 2.047 1.00 0.27 H new ATOM 0 HA TYR A 42 -5.542 -0.332 -0.908 1.00 0.26 H new ATOM 0 HB2 TYR A 42 -7.624 -1.138 -0.242 1.00 0.26 H new ATOM 0 HB3 TYR A 42 -7.676 -0.145 1.201 1.00 0.26 H new ATOM 0 HD1 TYR A 42 -8.095 2.391 0.896 1.00 0.28 H new ATOM 0 HD2 TYR A 42 -8.743 -0.446 -2.219 1.00 0.39 H new ATOM 0 HE1 TYR A 42 -9.525 4.005 -0.277 1.00 0.36 H new ATOM 0 HE2 TYR A 42 -10.174 1.168 -3.391 1.00 0.43 H new ATOM 0 HH TYR A 42 -11.121 3.157 -3.357 1.00 0.47 H new ATOM 721 N ILE A 43 -5.071 2.061 -1.213 1.00 0.23 N ATOM 722 CA ILE A 43 -4.803 3.476 -1.429 1.00 0.24 C ATOM 723 C ILE A 43 -6.113 4.233 -1.586 1.00 0.27 C ATOM 724 O ILE A 43 -7.027 3.781 -2.275 1.00 0.35 O ATOM 725 CB ILE A 43 -3.924 3.718 -2.675 1.00 0.25 C ATOM 726 CG1 ILE A 43 -2.545 3.074 -2.487 1.00 0.26 C ATOM 727 CG2 ILE A 43 -3.787 5.210 -2.972 1.00 0.29 C ATOM 728 CD1 ILE A 43 -1.593 3.893 -1.640 1.00 1.07 C ATOM 0 H ILE A 43 -4.805 1.454 -1.988 1.00 0.23 H new ATOM 0 HA ILE A 43 -4.259 3.839 -0.557 1.00 0.24 H new ATOM 0 HB ILE A 43 -4.412 3.252 -3.531 1.00 0.25 H new ATOM 0 HG12 ILE A 43 -2.673 2.094 -2.027 1.00 0.26 H new ATOM 0 HG13 ILE A 43 -2.095 2.911 -3.466 1.00 0.26 H new ATOM 0 HG21 ILE A 43 -3.163 5.349 -3.855 1.00 0.29 H new ATOM 0 HG22 ILE A 43 -4.773 5.637 -3.154 1.00 0.29 H new ATOM 0 HG23 ILE A 43 -3.327 5.710 -2.120 1.00 0.29 H new ATOM 0 HD11 ILE A 43 -0.640 3.370 -1.554 1.00 1.07 H new ATOM 0 HD12 ILE A 43 -1.433 4.864 -2.108 1.00 1.07 H new ATOM 0 HD13 ILE A 43 -2.020 4.035 -0.647 1.00 1.07 H new ATOM 740 N LEU A 44 -6.188 5.387 -0.953 1.00 0.26 N ATOM 741 CA LEU A 44 -7.382 6.209 -1.014 1.00 0.29 C ATOM 742 C LEU A 44 -7.107 7.503 -1.769 1.00 0.26 C ATOM 743 O LEU A 44 -8.000 8.075 -2.395 1.00 0.35 O ATOM 744 CB LEU A 44 -7.864 6.507 0.400 1.00 0.37 C ATOM 745 CG LEU A 44 -9.189 7.256 0.484 1.00 0.41 C ATOM 746 CD1 LEU A 44 -9.985 6.792 1.694 1.00 0.69 C ATOM 747 CD2 LEU A 44 -8.942 8.751 0.547 1.00 0.90 C ATOM 0 H LEU A 44 -5.434 5.778 -0.389 1.00 0.26 H new ATOM 0 HA LEU A 44 -8.160 5.667 -1.551 1.00 0.29 H new ATOM 0 HB2 LEU A 44 -7.961 5.566 0.941 1.00 0.37 H new ATOM 0 HB3 LEU A 44 -7.100 7.092 0.913 1.00 0.37 H new ATOM 0 HG LEU A 44 -9.771 7.039 -0.411 1.00 0.41 H new ATOM 0 HD11 LEU A 44 -10.928 7.336 1.740 1.00 0.69 H new ATOM 0 HD12 LEU A 44 -10.186 5.724 1.609 1.00 0.69 H new ATOM 0 HD13 LEU A 44 -9.412 6.983 2.601 1.00 0.69 H new ATOM 0 HD21 LEU A 44 -9.896 9.275 0.607 1.00 0.90 H new ATOM 0 HD22 LEU A 44 -8.344 8.984 1.428 1.00 0.90 H new ATOM 0 HD23 LEU A 44 -8.408 9.070 -0.348 1.00 0.90 H new ATOM 759 N GLU A 45 -5.855 7.943 -1.722 1.00 0.22 N ATOM 760 CA GLU A 45 -5.427 9.149 -2.417 1.00 0.23 C ATOM 761 C GLU A 45 -3.946 9.403 -2.156 1.00 0.23 C ATOM 762 O GLU A 45 -3.469 9.224 -1.038 1.00 0.38 O ATOM 763 CB GLU A 45 -6.263 10.357 -1.979 1.00 0.29 C ATOM 764 CG GLU A 45 -6.031 10.780 -0.537 1.00 0.52 C ATOM 765 CD GLU A 45 -5.884 12.281 -0.386 1.00 0.80 C ATOM 766 OE1 GLU A 45 -5.582 12.954 -1.396 1.00 1.44 O ATOM 767 OE2 GLU A 45 -6.069 12.786 0.741 1.00 1.12 O ATOM 0 H GLU A 45 -5.112 7.476 -1.203 1.00 0.22 H new ATOM 0 HA GLU A 45 -5.578 9.004 -3.487 1.00 0.23 H new ATOM 0 HB2 GLU A 45 -6.038 11.198 -2.634 1.00 0.29 H new ATOM 0 HB3 GLU A 45 -7.319 10.123 -2.113 1.00 0.29 H new ATOM 0 HG2 GLU A 45 -6.864 10.437 0.077 1.00 0.52 H new ATOM 0 HG3 GLU A 45 -5.133 10.291 -0.159 1.00 0.52 H new ATOM 774 N GLY A 46 -3.212 9.773 -3.199 1.00 0.18 N ATOM 775 CA GLY A 46 -1.789 10.015 -3.047 1.00 0.21 C ATOM 776 C GLY A 46 -0.961 9.301 -4.097 1.00 0.19 C ATOM 777 O GLY A 46 -1.488 8.521 -4.889 1.00 0.25 O ATOM 0 H GLY A 46 -3.574 9.909 -4.143 1.00 0.18 H new ATOM 0 HA2 GLY A 46 -1.598 11.087 -3.106 1.00 0.21 H new ATOM 0 HA3 GLY A 46 -1.472 9.689 -2.056 1.00 0.21 H new ATOM 781 N LYS A 47 0.343 9.564 -4.098 1.00 0.23 N ATOM 782 CA LYS A 47 1.249 8.942 -5.055 1.00 0.29 C ATOM 783 C LYS A 47 2.500 8.411 -4.362 1.00 0.25 C ATOM 784 O LYS A 47 3.213 9.158 -3.692 1.00 0.24 O ATOM 785 CB LYS A 47 1.645 9.944 -6.142 1.00 0.41 C ATOM 786 CG LYS A 47 1.246 9.509 -7.542 1.00 0.57 C ATOM 787 CD LYS A 47 2.365 9.750 -8.543 1.00 1.12 C ATOM 788 CE LYS A 47 3.423 8.662 -8.470 1.00 0.50 C ATOM 789 NZ LYS A 47 4.088 8.440 -9.784 1.00 1.10 N ATOM 0 H LYS A 47 0.795 10.205 -3.445 1.00 0.23 H new ATOM 0 HA LYS A 47 0.726 8.103 -5.514 1.00 0.29 H new ATOM 0 HB2 LYS A 47 1.182 10.907 -5.924 1.00 0.41 H new ATOM 0 HB3 LYS A 47 2.724 10.094 -6.111 1.00 0.41 H new ATOM 0 HG2 LYS A 47 0.985 8.451 -7.534 1.00 0.57 H new ATOM 0 HG3 LYS A 47 0.355 10.054 -7.853 1.00 0.57 H new ATOM 0 HD2 LYS A 47 1.951 9.789 -9.551 1.00 1.12 H new ATOM 0 HD3 LYS A 47 2.825 10.719 -8.350 1.00 1.12 H new ATOM 0 HE2 LYS A 47 4.172 8.934 -7.726 1.00 0.50 H new ATOM 0 HE3 LYS A 47 2.964 7.732 -8.135 1.00 0.50 H new ATOM 0 HZ1 LYS A 47 4.802 7.690 -9.689 1.00 1.10 H new ATOM 0 HZ2 LYS A 47 3.378 8.155 -10.489 1.00 1.10 H new ATOM 0 HZ3 LYS A 47 4.549 9.320 -10.093 1.00 1.10 H new ATOM 803 N VAL A 48 2.763 7.120 -4.534 1.00 0.31 N ATOM 804 CA VAL A 48 3.935 6.493 -3.931 1.00 0.32 C ATOM 805 C VAL A 48 4.681 5.637 -4.957 1.00 0.30 C ATOM 806 O VAL A 48 4.074 4.874 -5.709 1.00 0.34 O ATOM 807 CB VAL A 48 3.544 5.634 -2.695 1.00 0.39 C ATOM 808 CG1 VAL A 48 4.641 4.641 -2.307 1.00 0.52 C ATOM 809 CG2 VAL A 48 3.217 6.532 -1.513 1.00 0.64 C ATOM 0 H VAL A 48 2.182 6.488 -5.085 1.00 0.31 H new ATOM 0 HA VAL A 48 4.597 7.290 -3.594 1.00 0.32 H new ATOM 0 HB VAL A 48 2.662 5.056 -2.972 1.00 0.39 H new ATOM 0 HG11 VAL A 48 4.320 4.065 -1.439 1.00 0.52 H new ATOM 0 HG12 VAL A 48 4.831 3.965 -3.141 1.00 0.52 H new ATOM 0 HG13 VAL A 48 5.554 5.184 -2.065 1.00 0.52 H new ATOM 0 HG21 VAL A 48 2.945 5.918 -0.654 1.00 0.64 H new ATOM 0 HG22 VAL A 48 4.088 7.138 -1.264 1.00 0.64 H new ATOM 0 HG23 VAL A 48 2.383 7.184 -1.772 1.00 0.64 H new ATOM 819 N GLU A 49 6.003 5.755 -4.954 1.00 0.31 N ATOM 820 CA GLU A 49 6.848 4.965 -5.839 1.00 0.30 C ATOM 821 C GLU A 49 7.752 4.056 -5.014 1.00 0.30 C ATOM 822 O GLU A 49 8.636 4.528 -4.298 1.00 0.36 O ATOM 823 CB GLU A 49 7.685 5.880 -6.736 1.00 0.36 C ATOM 824 CG GLU A 49 6.875 6.982 -7.402 1.00 0.38 C ATOM 825 CD GLU A 49 7.735 7.928 -8.215 1.00 0.51 C ATOM 826 OE1 GLU A 49 8.664 8.532 -7.636 1.00 0.96 O ATOM 827 OE2 GLU A 49 7.482 8.067 -9.430 1.00 0.75 O ATOM 0 H GLU A 49 6.515 6.394 -4.345 1.00 0.31 H new ATOM 0 HA GLU A 49 6.214 4.349 -6.476 1.00 0.30 H new ATOM 0 HB2 GLU A 49 8.479 6.332 -6.141 1.00 0.36 H new ATOM 0 HB3 GLU A 49 8.167 5.278 -7.506 1.00 0.36 H new ATOM 0 HG2 GLU A 49 6.122 6.533 -8.050 1.00 0.38 H new ATOM 0 HG3 GLU A 49 6.341 7.548 -6.638 1.00 0.38 H new ATOM 834 N VAL A 50 7.503 2.755 -5.090 1.00 0.26 N ATOM 835 CA VAL A 50 8.252 1.787 -4.299 1.00 0.28 C ATOM 836 C VAL A 50 9.315 1.072 -5.126 1.00 0.26 C ATOM 837 O VAL A 50 9.038 0.568 -6.212 1.00 0.21 O ATOM 838 CB VAL A 50 7.309 0.736 -3.680 1.00 0.29 C ATOM 839 CG1 VAL A 50 8.093 -0.298 -2.883 1.00 0.35 C ATOM 840 CG2 VAL A 50 6.259 1.409 -2.810 1.00 0.33 C ATOM 0 H VAL A 50 6.788 2.346 -5.691 1.00 0.26 H new ATOM 0 HA VAL A 50 8.748 2.350 -3.508 1.00 0.28 H new ATOM 0 HB VAL A 50 6.800 0.216 -4.491 1.00 0.29 H new ATOM 0 HG11 VAL A 50 7.404 -1.028 -2.457 1.00 0.35 H new ATOM 0 HG12 VAL A 50 8.799 -0.806 -3.541 1.00 0.35 H new ATOM 0 HG13 VAL A 50 8.638 0.198 -2.080 1.00 0.35 H new ATOM 0 HG21 VAL A 50 5.602 0.652 -2.381 1.00 0.33 H new ATOM 0 HG22 VAL A 50 6.750 1.960 -2.008 1.00 0.33 H new ATOM 0 HG23 VAL A 50 5.671 2.098 -3.416 1.00 0.33 H new ATOM 850 N THR A 51 10.528 1.018 -4.586 1.00 0.32 N ATOM 851 CA THR A 51 11.627 0.308 -5.228 1.00 0.33 C ATOM 852 C THR A 51 12.254 -0.676 -4.244 1.00 0.37 C ATOM 853 O THR A 51 12.824 -0.273 -3.231 1.00 0.44 O ATOM 854 CB THR A 51 12.685 1.291 -5.734 1.00 0.40 C ATOM 855 OG1 THR A 51 12.095 2.283 -6.557 1.00 0.49 O ATOM 856 CG2 THR A 51 13.787 0.625 -6.531 1.00 0.42 C ATOM 0 H THR A 51 10.775 1.460 -3.701 1.00 0.32 H new ATOM 0 HA THR A 51 11.233 -0.241 -6.083 1.00 0.33 H new ATOM 0 HB THR A 51 13.123 1.732 -4.839 1.00 0.40 H new ATOM 0 HG1 THR A 51 12.787 2.903 -6.869 1.00 0.49 H new ATOM 0 HG21 THR A 51 14.504 1.377 -6.860 1.00 0.42 H new ATOM 0 HG22 THR A 51 14.294 -0.111 -5.907 1.00 0.42 H new ATOM 0 HG23 THR A 51 13.358 0.128 -7.401 1.00 0.42 H new ATOM 864 N THR A 52 12.141 -1.965 -4.544 1.00 0.33 N ATOM 865 CA THR A 52 12.681 -2.998 -3.667 1.00 0.39 C ATOM 866 C THR A 52 14.140 -3.293 -3.995 1.00 0.42 C ATOM 867 O THR A 52 14.530 -3.338 -5.162 1.00 0.42 O ATOM 868 CB THR A 52 11.850 -4.278 -3.782 1.00 0.37 C ATOM 869 OG1 THR A 52 12.219 -5.015 -4.935 1.00 0.39 O ATOM 870 CG2 THR A 52 10.361 -4.019 -3.855 1.00 0.36 C ATOM 0 H THR A 52 11.683 -2.319 -5.384 1.00 0.33 H new ATOM 0 HA THR A 52 12.630 -2.628 -2.643 1.00 0.39 H new ATOM 0 HB THR A 52 12.059 -4.842 -2.873 1.00 0.37 H new ATOM 0 HG1 THR A 52 13.080 -5.457 -4.779 1.00 0.39 H new ATOM 0 HG21 THR A 52 9.830 -4.968 -3.935 1.00 0.36 H new ATOM 0 HG22 THR A 52 10.038 -3.497 -2.954 1.00 0.36 H new ATOM 0 HG23 THR A 52 10.141 -3.405 -4.728 1.00 0.36 H new ATOM 878 N GLU A 53 14.943 -3.495 -2.955 1.00 0.59 N ATOM 879 CA GLU A 53 16.360 -3.793 -3.129 1.00 0.65 C ATOM 880 C GLU A 53 16.553 -4.966 -4.081 1.00 0.55 C ATOM 881 O GLU A 53 17.502 -4.993 -4.865 1.00 0.52 O ATOM 882 CB GLU A 53 17.006 -4.108 -1.777 1.00 0.79 C ATOM 883 CG GLU A 53 16.654 -3.112 -0.686 1.00 1.21 C ATOM 884 CD GLU A 53 17.850 -2.731 0.165 1.00 2.08 C ATOM 885 OE1 GLU A 53 18.854 -3.474 0.143 1.00 2.77 O ATOM 886 OE2 GLU A 53 17.783 -1.689 0.850 1.00 2.47 O ATOM 0 H GLU A 53 14.636 -3.458 -1.983 1.00 0.59 H new ATOM 0 HA GLU A 53 16.842 -2.915 -3.558 1.00 0.65 H new ATOM 0 HB2 GLU A 53 16.698 -5.104 -1.460 1.00 0.79 H new ATOM 0 HB3 GLU A 53 18.089 -4.133 -1.899 1.00 0.79 H new ATOM 0 HG2 GLU A 53 16.236 -2.214 -1.140 1.00 1.21 H new ATOM 0 HG3 GLU A 53 15.879 -3.537 -0.048 1.00 1.21 H new ATOM 893 N ASP A 54 15.646 -5.934 -4.007 1.00 0.52 N ATOM 894 CA ASP A 54 15.709 -7.107 -4.868 1.00 0.46 C ATOM 895 C ASP A 54 15.776 -6.696 -6.335 1.00 0.38 C ATOM 896 O ASP A 54 16.397 -7.373 -7.153 1.00 0.39 O ATOM 897 CB ASP A 54 14.492 -8.002 -4.630 1.00 0.49 C ATOM 898 CG ASP A 54 14.421 -8.515 -3.205 1.00 1.10 C ATOM 899 OD1 ASP A 54 15.483 -8.851 -2.641 1.00 1.43 O ATOM 900 OD2 ASP A 54 13.303 -8.577 -2.653 1.00 1.88 O ATOM 0 H ASP A 54 14.858 -5.928 -3.359 1.00 0.52 H new ATOM 0 HA ASP A 54 16.613 -7.664 -4.623 1.00 0.46 H new ATOM 0 HB2 ASP A 54 13.584 -7.444 -4.858 1.00 0.49 H new ATOM 0 HB3 ASP A 54 14.527 -8.848 -5.316 1.00 0.49 H new ATOM 905 N GLY A 55 15.133 -5.578 -6.657 1.00 0.35 N ATOM 906 CA GLY A 55 15.135 -5.087 -8.023 1.00 0.33 C ATOM 907 C GLY A 55 13.739 -4.986 -8.608 1.00 0.31 C ATOM 908 O GLY A 55 13.562 -5.070 -9.823 1.00 0.40 O ATOM 0 H GLY A 55 14.610 -5.003 -5.996 1.00 0.35 H new ATOM 0 HA2 GLY A 55 15.609 -4.106 -8.052 1.00 0.33 H new ATOM 0 HA3 GLY A 55 15.738 -5.751 -8.643 1.00 0.33 H new ATOM 912 N LYS A 56 12.747 -4.803 -7.742 1.00 0.26 N ATOM 913 CA LYS A 56 11.364 -4.677 -8.184 1.00 0.25 C ATOM 914 C LYS A 56 10.871 -3.248 -8.003 1.00 0.24 C ATOM 915 O LYS A 56 11.604 -2.386 -7.518 1.00 0.26 O ATOM 916 CB LYS A 56 10.464 -5.642 -7.409 1.00 0.26 C ATOM 917 CG LYS A 56 11.121 -6.978 -7.106 1.00 0.37 C ATOM 918 CD LYS A 56 10.251 -8.141 -7.557 1.00 0.81 C ATOM 919 CE LYS A 56 10.964 -9.007 -8.584 1.00 0.86 C ATOM 920 NZ LYS A 56 10.132 -10.168 -9.004 1.00 1.72 N ATOM 0 H LYS A 56 12.876 -4.739 -6.732 1.00 0.26 H new ATOM 0 HA LYS A 56 11.322 -4.930 -9.243 1.00 0.25 H new ATOM 0 HB2 LYS A 56 10.165 -5.173 -6.472 1.00 0.26 H new ATOM 0 HB3 LYS A 56 9.554 -5.816 -7.983 1.00 0.26 H new ATOM 0 HG2 LYS A 56 12.088 -7.031 -7.605 1.00 0.37 H new ATOM 0 HG3 LYS A 56 11.310 -7.057 -6.035 1.00 0.37 H new ATOM 0 HD2 LYS A 56 9.978 -8.749 -6.694 1.00 0.81 H new ATOM 0 HD3 LYS A 56 9.324 -7.759 -7.983 1.00 0.81 H new ATOM 0 HE2 LYS A 56 11.213 -8.404 -9.457 1.00 0.86 H new ATOM 0 HE3 LYS A 56 11.904 -9.366 -8.166 1.00 0.86 H new ATOM 0 HZ1 LYS A 56 10.653 -10.733 -9.704 1.00 1.72 H new ATOM 0 HZ2 LYS A 56 9.915 -10.758 -8.175 1.00 1.72 H new ATOM 0 HZ3 LYS A 56 9.246 -9.825 -9.426 1.00 1.72 H new ATOM 934 N LYS A 57 9.630 -2.999 -8.401 1.00 0.24 N ATOM 935 CA LYS A 57 9.045 -1.672 -8.282 1.00 0.23 C ATOM 936 C LYS A 57 7.524 -1.751 -8.230 1.00 0.26 C ATOM 937 O LYS A 57 6.901 -2.435 -9.043 1.00 0.36 O ATOM 938 CB LYS A 57 9.483 -0.792 -9.454 1.00 0.29 C ATOM 939 CG LYS A 57 9.769 0.649 -9.062 1.00 0.54 C ATOM 940 CD LYS A 57 10.479 1.400 -10.176 1.00 0.73 C ATOM 941 CE LYS A 57 11.812 0.755 -10.520 1.00 0.67 C ATOM 942 NZ LYS A 57 11.832 0.229 -11.914 1.00 1.32 N ATOM 0 H LYS A 57 9.010 -3.699 -8.809 1.00 0.24 H new ATOM 0 HA LYS A 57 9.399 -1.228 -7.352 1.00 0.23 H new ATOM 0 HB2 LYS A 57 10.378 -1.221 -9.905 1.00 0.29 H new ATOM 0 HB3 LYS A 57 8.705 -0.804 -10.217 1.00 0.29 H new ATOM 0 HG2 LYS A 57 8.834 1.154 -8.821 1.00 0.54 H new ATOM 0 HG3 LYS A 57 10.383 0.667 -8.161 1.00 0.54 H new ATOM 0 HD2 LYS A 57 9.845 1.423 -11.062 1.00 0.73 H new ATOM 0 HD3 LYS A 57 10.641 2.434 -9.873 1.00 0.73 H new ATOM 0 HE2 LYS A 57 12.611 1.486 -10.396 1.00 0.67 H new ATOM 0 HE3 LYS A 57 12.013 -0.058 -9.822 1.00 0.67 H new ATOM 0 HZ1 LYS A 57 12.758 -0.203 -12.109 1.00 1.32 H new ATOM 0 HZ2 LYS A 57 11.086 -0.487 -12.026 1.00 1.32 H new ATOM 0 HZ3 LYS A 57 11.666 1.009 -12.582 1.00 1.32 H new ATOM 956 N TYR A 58 6.932 -1.048 -7.273 1.00 0.23 N ATOM 957 CA TYR A 58 5.483 -1.040 -7.121 1.00 0.28 C ATOM 958 C TYR A 58 4.945 0.383 -7.083 1.00 0.23 C ATOM 959 O TYR A 58 5.185 1.123 -6.129 1.00 0.23 O ATOM 960 CB TYR A 58 5.067 -1.776 -5.845 1.00 0.37 C ATOM 961 CG TYR A 58 5.981 -2.917 -5.465 1.00 0.39 C ATOM 962 CD1 TYR A 58 6.214 -3.965 -6.345 1.00 0.43 C ATOM 963 CD2 TYR A 58 6.617 -2.941 -4.230 1.00 0.40 C ATOM 964 CE1 TYR A 58 7.054 -5.009 -6.004 1.00 0.47 C ATOM 965 CE2 TYR A 58 7.457 -3.981 -3.881 1.00 0.44 C ATOM 966 CZ TYR A 58 7.657 -5.020 -4.758 1.00 0.46 C ATOM 967 OH TYR A 58 8.507 -6.050 -4.427 1.00 0.51 O ATOM 0 H TYR A 58 7.432 -0.477 -6.592 1.00 0.23 H new ATOM 0 HA TYR A 58 5.060 -1.554 -7.984 1.00 0.28 H new ATOM 0 HB2 TYR A 58 5.033 -1.063 -5.022 1.00 0.37 H new ATOM 0 HB3 TYR A 58 4.056 -2.162 -5.974 1.00 0.37 H new ATOM 0 HD1 TYR A 58 5.732 -3.965 -7.311 1.00 0.43 H new ATOM 0 HD2 TYR A 58 6.452 -2.134 -3.532 1.00 0.40 H new ATOM 0 HE1 TYR A 58 7.238 -5.810 -6.705 1.00 0.47 H new ATOM 0 HE2 TYR A 58 7.955 -3.977 -2.922 1.00 0.44 H new ATOM 0 HH TYR A 58 8.758 -6.541 -5.237 1.00 0.51 H new ATOM 977 N VAL A 59 4.207 0.758 -8.120 1.00 0.27 N ATOM 978 CA VAL A 59 3.600 2.079 -8.182 1.00 0.26 C ATOM 979 C VAL A 59 2.138 2.000 -7.768 1.00 0.28 C ATOM 980 O VAL A 59 1.326 1.364 -8.439 1.00 0.37 O ATOM 981 CB VAL A 59 3.699 2.683 -9.595 1.00 0.37 C ATOM 982 CG1 VAL A 59 5.152 2.790 -10.029 1.00 1.24 C ATOM 983 CG2 VAL A 59 2.897 1.856 -10.588 1.00 0.47 C ATOM 0 H VAL A 59 4.015 0.166 -8.928 1.00 0.27 H new ATOM 0 HA VAL A 59 4.146 2.726 -7.495 1.00 0.26 H new ATOM 0 HB VAL A 59 3.276 3.687 -9.571 1.00 0.37 H new ATOM 0 HG11 VAL A 59 5.202 3.219 -11.030 1.00 1.24 H new ATOM 0 HG12 VAL A 59 5.694 3.430 -9.332 1.00 1.24 H new ATOM 0 HG13 VAL A 59 5.604 1.798 -10.036 1.00 1.24 H new ATOM 0 HG21 VAL A 59 2.979 2.299 -11.581 1.00 0.47 H new ATOM 0 HG22 VAL A 59 3.286 0.838 -10.611 1.00 0.47 H new ATOM 0 HG23 VAL A 59 1.850 1.838 -10.285 1.00 0.47 H new ATOM 993 N ILE A 60 1.808 2.643 -6.656 1.00 0.27 N ATOM 994 CA ILE A 60 0.449 2.614 -6.135 1.00 0.33 C ATOM 995 C ILE A 60 -0.126 4.019 -6.032 1.00 0.29 C ATOM 996 O ILE A 60 0.390 4.857 -5.292 1.00 0.40 O ATOM 997 CB ILE A 60 0.420 1.959 -4.745 1.00 0.42 C ATOM 998 CG1 ILE A 60 1.513 2.561 -3.863 1.00 0.43 C ATOM 999 CG2 ILE A 60 0.599 0.453 -4.864 1.00 0.52 C ATOM 1000 CD1 ILE A 60 1.082 2.778 -2.429 1.00 0.94 C ATOM 0 H ILE A 60 2.463 3.191 -6.098 1.00 0.27 H new ATOM 0 HA ILE A 60 -0.157 2.030 -6.828 1.00 0.33 H new ATOM 0 HB ILE A 60 -0.549 2.152 -4.284 1.00 0.42 H new ATOM 0 HG12 ILE A 60 2.383 1.904 -3.877 1.00 0.43 H new ATOM 0 HG13 ILE A 60 1.827 3.514 -4.288 1.00 0.43 H new ATOM 0 HG21 ILE A 60 0.576 0.004 -3.871 1.00 0.52 H new ATOM 0 HG22 ILE A 60 -0.207 0.037 -5.469 1.00 0.52 H new ATOM 0 HG23 ILE A 60 1.556 0.237 -5.338 1.00 0.52 H new ATOM 0 HD11 ILE A 60 1.908 3.208 -1.862 1.00 0.94 H new ATOM 0 HD12 ILE A 60 0.231 3.459 -2.404 1.00 0.94 H new ATOM 0 HD13 ILE A 60 0.796 1.824 -1.987 1.00 0.94 H new ATOM 1012 N GLU A 61 -1.193 4.281 -6.780 1.00 0.26 N ATOM 1013 CA GLU A 61 -1.807 5.601 -6.772 1.00 0.24 C ATOM 1014 C GLU A 61 -3.328 5.548 -6.785 1.00 0.23 C ATOM 1015 O GLU A 61 -3.930 4.815 -7.567 1.00 0.41 O ATOM 1016 CB GLU A 61 -1.317 6.415 -7.966 1.00 0.39 C ATOM 1017 CG GLU A 61 -1.554 7.906 -7.811 1.00 0.41 C ATOM 1018 CD GLU A 61 -1.202 8.686 -9.063 1.00 0.47 C ATOM 1019 OE1 GLU A 61 -0.511 8.124 -9.937 1.00 0.57 O ATOM 1020 OE2 GLU A 61 -1.614 9.861 -9.166 1.00 0.79 O ATOM 0 H GLU A 61 -1.646 3.603 -7.393 1.00 0.26 H new ATOM 0 HA GLU A 61 -1.507 6.079 -5.839 1.00 0.24 H new ATOM 0 HB2 GLU A 61 -0.251 6.236 -8.107 1.00 0.39 H new ATOM 0 HB3 GLU A 61 -1.821 6.065 -8.867 1.00 0.39 H new ATOM 0 HG2 GLU A 61 -2.601 8.080 -7.562 1.00 0.41 H new ATOM 0 HG3 GLU A 61 -0.961 8.279 -6.976 1.00 0.41 H new ATOM 1027 N LYS A 62 -3.923 6.395 -5.944 1.00 0.19 N ATOM 1028 CA LYS A 62 -5.376 6.576 -5.856 1.00 0.25 C ATOM 1029 C LYS A 62 -6.194 5.364 -6.301 1.00 0.28 C ATOM 1030 O LYS A 62 -6.314 5.080 -7.493 1.00 0.41 O ATOM 1031 CB LYS A 62 -5.789 7.788 -6.694 1.00 0.40 C ATOM 1032 CG LYS A 62 -6.773 8.712 -5.996 1.00 0.50 C ATOM 1033 CD LYS A 62 -7.889 7.936 -5.316 1.00 0.57 C ATOM 1034 CE LYS A 62 -9.031 8.849 -4.914 1.00 0.97 C ATOM 1035 NZ LYS A 62 -10.179 8.092 -4.344 1.00 0.82 N ATOM 0 H LYS A 62 -3.403 6.984 -5.294 1.00 0.19 H new ATOM 0 HA LYS A 62 -5.594 6.722 -4.798 1.00 0.25 H new ATOM 0 HB2 LYS A 62 -4.897 8.356 -6.958 1.00 0.40 H new ATOM 0 HB3 LYS A 62 -6.232 7.439 -7.627 1.00 0.40 H new ATOM 0 HG2 LYS A 62 -6.245 9.313 -5.256 1.00 0.50 H new ATOM 0 HG3 LYS A 62 -7.201 9.403 -6.722 1.00 0.50 H new ATOM 0 HD2 LYS A 62 -8.259 7.162 -5.989 1.00 0.57 H new ATOM 0 HD3 LYS A 62 -7.497 7.430 -4.433 1.00 0.57 H new ATOM 0 HE2 LYS A 62 -8.675 9.573 -4.181 1.00 0.97 H new ATOM 0 HE3 LYS A 62 -9.366 9.414 -5.784 1.00 0.97 H new ATOM 0 HZ1 LYS A 62 -11.011 8.713 -4.288 1.00 0.82 H new ATOM 0 HZ2 LYS A 62 -10.395 7.278 -4.954 1.00 0.82 H new ATOM 0 HZ3 LYS A 62 -9.934 7.755 -3.391 1.00 0.82 H new ATOM 1049 N GLY A 63 -6.861 4.733 -5.339 1.00 0.30 N ATOM 1050 CA GLY A 63 -7.757 3.628 -5.645 1.00 0.39 C ATOM 1051 C GLY A 63 -7.045 2.385 -6.141 1.00 0.39 C ATOM 1052 O GLY A 63 -7.429 1.807 -7.157 1.00 0.68 O ATOM 0 H GLY A 63 -6.797 4.967 -4.348 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -8.328 3.377 -4.751 1.00 0.39 H new ATOM 0 HA3 GLY A 63 -8.473 3.951 -6.400 1.00 0.39 H new ATOM 1056 N ASP A 64 -6.017 1.967 -5.419 1.00 0.33 N ATOM 1057 CA ASP A 64 -5.273 0.764 -5.773 1.00 0.35 C ATOM 1058 C ASP A 64 -4.754 0.063 -4.521 1.00 0.32 C ATOM 1059 O ASP A 64 -4.263 0.709 -3.596 1.00 0.49 O ATOM 1060 CB ASP A 64 -4.112 1.110 -6.705 1.00 0.41 C ATOM 1061 CG ASP A 64 -3.013 1.877 -6.001 1.00 1.12 C ATOM 1062 OD1 ASP A 64 -3.197 3.087 -5.753 1.00 1.51 O ATOM 1063 OD2 ASP A 64 -1.973 1.264 -5.689 1.00 2.00 O ATOM 0 H ASP A 64 -5.677 2.442 -4.583 1.00 0.33 H new ATOM 0 HA ASP A 64 -5.949 0.085 -6.293 1.00 0.35 H new ATOM 0 HB2 ASP A 64 -3.700 0.192 -7.123 1.00 0.41 H new ATOM 0 HB3 ASP A 64 -4.485 1.701 -7.541 1.00 0.41 H new ATOM 1068 N LEU A 65 -4.867 -1.261 -4.496 1.00 0.29 N ATOM 1069 CA LEU A 65 -4.404 -2.042 -3.356 1.00 0.26 C ATOM 1070 C LEU A 65 -3.296 -3.005 -3.764 1.00 0.24 C ATOM 1071 O LEU A 65 -3.242 -3.450 -4.910 1.00 0.27 O ATOM 1072 CB LEU A 65 -5.563 -2.799 -2.714 1.00 0.31 C ATOM 1073 CG LEU A 65 -6.510 -3.512 -3.674 1.00 0.53 C ATOM 1074 CD1 LEU A 65 -5.736 -4.360 -4.669 1.00 0.37 C ATOM 1075 CD2 LEU A 65 -7.498 -4.362 -2.892 1.00 0.47 C ATOM 0 H LEU A 65 -5.274 -1.814 -5.250 1.00 0.29 H new ATOM 0 HA LEU A 65 -3.995 -1.350 -2.620 1.00 0.26 H new ATOM 0 HB2 LEU A 65 -5.152 -3.537 -2.026 1.00 0.31 H new ATOM 0 HB3 LEU A 65 -6.144 -2.096 -2.117 1.00 0.31 H new ATOM 0 HG LEU A 65 -7.064 -2.762 -4.238 1.00 0.53 H new ATOM 0 HD11 LEU A 65 -6.433 -4.858 -5.342 1.00 0.37 H new ATOM 0 HD12 LEU A 65 -5.066 -3.723 -5.247 1.00 0.37 H new ATOM 0 HD13 LEU A 65 -5.152 -5.108 -4.133 1.00 0.37 H new ATOM 0 HD21 LEU A 65 -8.171 -4.868 -3.585 1.00 0.47 H new ATOM 0 HD22 LEU A 65 -6.956 -5.104 -2.306 1.00 0.47 H new ATOM 0 HD23 LEU A 65 -8.077 -3.725 -2.224 1.00 0.47 H new ATOM 1087 N VAL A 66 -2.382 -3.279 -2.839 1.00 0.22 N ATOM 1088 CA VAL A 66 -1.245 -4.138 -3.140 1.00 0.24 C ATOM 1089 C VAL A 66 -0.964 -5.146 -2.035 1.00 0.22 C ATOM 1090 O VAL A 66 -1.267 -4.916 -0.864 1.00 0.24 O ATOM 1091 CB VAL A 66 0.020 -3.303 -3.398 1.00 0.29 C ATOM 1092 CG1 VAL A 66 1.218 -4.193 -3.702 1.00 0.54 C ATOM 1093 CG2 VAL A 66 -0.226 -2.326 -4.531 1.00 0.30 C ATOM 0 H VAL A 66 -2.406 -2.922 -1.884 1.00 0.22 H new ATOM 0 HA VAL A 66 -1.512 -4.692 -4.040 1.00 0.24 H new ATOM 0 HB VAL A 66 0.251 -2.742 -2.493 1.00 0.29 H new ATOM 0 HG11 VAL A 66 2.096 -3.573 -3.880 1.00 0.54 H new ATOM 0 HG12 VAL A 66 1.405 -4.853 -2.855 1.00 0.54 H new ATOM 0 HG13 VAL A 66 1.011 -4.791 -4.589 1.00 0.54 H new ATOM 0 HG21 VAL A 66 0.675 -1.739 -4.707 1.00 0.30 H new ATOM 0 HG22 VAL A 66 -0.483 -2.876 -5.436 1.00 0.30 H new ATOM 0 HG23 VAL A 66 -1.047 -1.660 -4.265 1.00 0.30 H new ATOM 1103 N THR A 67 -0.397 -6.279 -2.437 1.00 0.24 N ATOM 1104 CA THR A 67 -0.029 -7.334 -1.508 1.00 0.24 C ATOM 1105 C THR A 67 1.450 -7.229 -1.167 1.00 0.27 C ATOM 1106 O THR A 67 2.263 -6.857 -2.013 1.00 0.32 O ATOM 1107 CB THR A 67 -0.328 -8.701 -2.126 1.00 0.22 C ATOM 1108 OG1 THR A 67 -1.725 -8.898 -2.247 1.00 0.29 O ATOM 1109 CG2 THR A 67 0.230 -9.863 -1.331 1.00 0.25 C ATOM 0 H THR A 67 -0.182 -6.488 -3.412 1.00 0.24 H new ATOM 0 HA THR A 67 -0.613 -7.224 -0.594 1.00 0.24 H new ATOM 0 HB THR A 67 0.160 -8.686 -3.100 1.00 0.22 H new ATOM 0 HG1 THR A 67 -1.990 -9.688 -1.731 1.00 0.29 H new ATOM 0 HG21 THR A 67 -0.021 -10.799 -1.830 1.00 0.25 H new ATOM 0 HG22 THR A 67 1.314 -9.769 -1.261 1.00 0.25 H new ATOM 0 HG23 THR A 67 -0.200 -9.859 -0.330 1.00 0.25 H new ATOM 1117 N PHE A 68 1.801 -7.562 0.065 1.00 0.31 N ATOM 1118 CA PHE A 68 3.186 -7.472 0.495 1.00 0.39 C ATOM 1119 C PHE A 68 3.587 -8.675 1.347 1.00 0.37 C ATOM 1120 O PHE A 68 2.885 -9.037 2.292 1.00 0.40 O ATOM 1121 CB PHE A 68 3.396 -6.175 1.269 1.00 0.55 C ATOM 1122 CG PHE A 68 3.015 -4.954 0.482 1.00 0.49 C ATOM 1123 CD1 PHE A 68 3.719 -4.599 -0.658 1.00 0.53 C ATOM 1124 CD2 PHE A 68 1.968 -4.148 0.897 1.00 0.62 C ATOM 1125 CE1 PHE A 68 3.373 -3.472 -1.379 1.00 0.55 C ATOM 1126 CE2 PHE A 68 1.616 -3.020 0.179 1.00 0.67 C ATOM 1127 CZ PHE A 68 2.301 -2.707 -0.991 1.00 0.57 C ATOM 0 H PHE A 68 1.152 -7.894 0.779 1.00 0.31 H new ATOM 0 HA PHE A 68 3.822 -7.473 -0.390 1.00 0.39 H new ATOM 0 HB2 PHE A 68 2.809 -6.207 2.187 1.00 0.55 H new ATOM 0 HB3 PHE A 68 4.443 -6.099 1.563 1.00 0.55 H new ATOM 0 HD1 PHE A 68 4.547 -5.210 -0.986 1.00 0.53 H new ATOM 0 HD2 PHE A 68 1.420 -4.404 1.792 1.00 0.62 H new ATOM 0 HE1 PHE A 68 3.947 -3.192 -2.250 1.00 0.55 H new ATOM 0 HE2 PHE A 68 0.814 -2.385 0.525 1.00 0.67 H new ATOM 0 HZ PHE A 68 1.990 -1.865 -1.592 1.00 0.57 H new ATOM 1137 N PRO A 69 4.727 -9.314 1.023 1.00 0.39 N ATOM 1138 CA PRO A 69 5.211 -10.484 1.749 1.00 0.43 C ATOM 1139 C PRO A 69 6.047 -10.119 2.966 1.00 0.48 C ATOM 1140 O PRO A 69 6.728 -9.093 2.980 1.00 0.63 O ATOM 1141 CB PRO A 69 6.082 -11.181 0.711 1.00 0.50 C ATOM 1142 CG PRO A 69 6.650 -10.070 -0.104 1.00 0.50 C ATOM 1143 CD PRO A 69 5.625 -8.961 -0.094 1.00 0.43 C ATOM 0 HA PRO A 69 4.393 -11.089 2.141 1.00 0.43 H new ATOM 0 HB2 PRO A 69 6.869 -11.770 1.183 1.00 0.50 H new ATOM 0 HB3 PRO A 69 5.497 -11.865 0.097 1.00 0.50 H new ATOM 0 HG2 PRO A 69 7.596 -9.727 0.314 1.00 0.50 H new ATOM 0 HG3 PRO A 69 6.853 -10.401 -1.122 1.00 0.50 H new ATOM 0 HD2 PRO A 69 6.091 -7.988 0.061 1.00 0.43 H new ATOM 0 HD3 PRO A 69 5.085 -8.909 -1.039 1.00 0.43 H new ATOM 1151 N LYS A 70 6.017 -10.982 3.972 1.00 0.44 N ATOM 1152 CA LYS A 70 6.804 -10.772 5.178 1.00 0.49 C ATOM 1153 C LYS A 70 8.278 -10.594 4.825 1.00 0.51 C ATOM 1154 O LYS A 70 8.857 -11.413 4.113 1.00 0.69 O ATOM 1155 CB LYS A 70 6.634 -11.955 6.132 1.00 0.61 C ATOM 1156 CG LYS A 70 5.981 -11.584 7.452 1.00 0.82 C ATOM 1157 CD LYS A 70 5.855 -12.790 8.368 1.00 0.78 C ATOM 1158 CE LYS A 70 6.817 -12.700 9.542 1.00 1.10 C ATOM 1159 NZ LYS A 70 7.014 -14.021 10.201 1.00 1.62 N ATOM 0 H LYS A 70 5.456 -11.834 3.976 1.00 0.44 H new ATOM 0 HA LYS A 70 6.449 -9.867 5.671 1.00 0.49 H new ATOM 0 HB2 LYS A 70 6.034 -12.722 5.643 1.00 0.61 H new ATOM 0 HB3 LYS A 70 7.612 -12.394 6.331 1.00 0.61 H new ATOM 0 HG2 LYS A 70 6.569 -10.810 7.946 1.00 0.82 H new ATOM 0 HG3 LYS A 70 4.993 -11.163 7.265 1.00 0.82 H new ATOM 0 HD2 LYS A 70 4.832 -12.862 8.739 1.00 0.78 H new ATOM 0 HD3 LYS A 70 6.054 -13.700 7.802 1.00 0.78 H new ATOM 0 HE2 LYS A 70 7.778 -12.320 9.195 1.00 1.10 H new ATOM 0 HE3 LYS A 70 6.435 -11.984 10.270 1.00 1.10 H new ATOM 0 HZ1 LYS A 70 7.676 -13.917 10.996 1.00 1.62 H new ATOM 0 HZ2 LYS A 70 6.101 -14.372 10.554 1.00 1.62 H new ATOM 0 HZ3 LYS A 70 7.402 -14.698 9.513 1.00 1.62 H new ATOM 1173 N GLY A 71 8.872 -9.508 5.304 1.00 0.46 N ATOM 1174 CA GLY A 71 10.278 -9.257 5.035 1.00 0.46 C ATOM 1175 C GLY A 71 10.511 -8.282 3.891 1.00 0.36 C ATOM 1176 O GLY A 71 11.612 -7.752 3.742 1.00 0.36 O ATOM 0 H GLY A 71 8.409 -8.798 5.872 1.00 0.46 H new ATOM 0 HA2 GLY A 71 10.748 -8.866 5.937 1.00 0.46 H new ATOM 0 HA3 GLY A 71 10.770 -10.202 4.803 1.00 0.46 H new ATOM 1180 N LEU A 72 9.485 -8.051 3.076 1.00 0.36 N ATOM 1181 CA LEU A 72 9.604 -7.152 1.926 1.00 0.34 C ATOM 1182 C LEU A 72 10.288 -5.835 2.303 1.00 0.31 C ATOM 1183 O LEU A 72 9.628 -4.857 2.654 1.00 0.60 O ATOM 1184 CB LEU A 72 8.215 -6.878 1.331 1.00 0.43 C ATOM 1185 CG LEU A 72 8.129 -5.688 0.365 1.00 0.51 C ATOM 1186 CD1 LEU A 72 9.344 -5.646 -0.549 1.00 1.13 C ATOM 1187 CD2 LEU A 72 6.848 -5.759 -0.453 1.00 1.08 C ATOM 0 H LEU A 72 8.563 -8.472 3.188 1.00 0.36 H new ATOM 0 HA LEU A 72 10.228 -7.644 1.180 1.00 0.34 H new ATOM 0 HB2 LEU A 72 7.881 -7.773 0.806 1.00 0.43 H new ATOM 0 HB3 LEU A 72 7.516 -6.709 2.150 1.00 0.43 H new ATOM 0 HG LEU A 72 8.114 -4.771 0.953 1.00 0.51 H new ATOM 0 HD11 LEU A 72 9.262 -4.795 -1.225 1.00 1.13 H new ATOM 0 HD12 LEU A 72 10.248 -5.546 0.052 1.00 1.13 H new ATOM 0 HD13 LEU A 72 9.394 -6.567 -1.130 1.00 1.13 H new ATOM 0 HD21 LEU A 72 6.803 -4.908 -1.133 1.00 1.08 H new ATOM 0 HD22 LEU A 72 6.835 -6.684 -1.029 1.00 1.08 H new ATOM 0 HD23 LEU A 72 5.988 -5.735 0.216 1.00 1.08 H new ATOM 1199 N ARG A 73 11.611 -5.790 2.157 1.00 0.26 N ATOM 1200 CA ARG A 73 12.371 -4.583 2.469 1.00 0.23 C ATOM 1201 C ARG A 73 12.468 -3.682 1.243 1.00 0.20 C ATOM 1202 O ARG A 73 13.058 -4.059 0.231 1.00 0.24 O ATOM 1203 CB ARG A 73 13.778 -4.949 2.949 1.00 0.27 C ATOM 1204 CG ARG A 73 14.334 -3.997 3.997 1.00 0.43 C ATOM 1205 CD ARG A 73 15.701 -3.464 3.598 1.00 0.68 C ATOM 1206 NE ARG A 73 16.662 -4.539 3.368 1.00 1.54 N ATOM 1207 CZ ARG A 73 17.183 -5.281 4.340 1.00 2.09 C ATOM 1208 NH1 ARG A 73 16.837 -5.062 5.602 1.00 2.73 N ATOM 1209 NH2 ARG A 73 18.049 -6.242 4.052 1.00 2.40 N ATOM 0 H ARG A 73 12.176 -6.572 1.826 1.00 0.26 H new ATOM 0 HA ARG A 73 11.850 -4.048 3.263 1.00 0.23 H new ATOM 0 HB2 ARG A 73 13.761 -5.958 3.361 1.00 0.27 H new ATOM 0 HB3 ARG A 73 14.452 -4.966 2.092 1.00 0.27 H new ATOM 0 HG2 ARG A 73 13.644 -3.164 4.136 1.00 0.43 H new ATOM 0 HG3 ARG A 73 14.409 -4.512 4.955 1.00 0.43 H new ATOM 0 HD2 ARG A 73 15.606 -2.863 2.693 1.00 0.68 H new ATOM 0 HD3 ARG A 73 16.075 -2.804 4.381 1.00 0.68 H new ATOM 0 HE ARG A 73 16.949 -4.731 2.408 1.00 1.54 H new ATOM 0 HH11 ARG A 73 16.170 -4.324 5.827 1.00 2.73 H new ATOM 0 HH12 ARG A 73 17.238 -5.632 6.347 1.00 2.73 H new ATOM 0 HH21 ARG A 73 18.317 -6.413 3.083 1.00 2.40 H new ATOM 0 HH22 ARG A 73 18.448 -6.810 4.799 1.00 2.40 H new ATOM 1223 N CYS A 74 11.868 -2.497 1.331 1.00 0.20 N ATOM 1224 CA CYS A 74 11.887 -1.555 0.217 1.00 0.22 C ATOM 1225 C CYS A 74 11.800 -0.114 0.707 1.00 0.24 C ATOM 1226 O CYS A 74 11.355 0.149 1.824 1.00 0.31 O ATOM 1227 CB CYS A 74 10.733 -1.848 -0.744 1.00 0.27 C ATOM 1228 SG CYS A 74 9.101 -1.830 0.035 1.00 0.63 S ATOM 0 H CYS A 74 11.366 -2.169 2.156 1.00 0.20 H new ATOM 0 HA CYS A 74 12.834 -1.679 -0.308 1.00 0.22 H new ATOM 0 HB2 CYS A 74 10.748 -1.112 -1.548 1.00 0.27 H new ATOM 0 HB3 CYS A 74 10.894 -2.824 -1.202 1.00 0.27 H new ATOM 0 HG CYS A 74 8.944 -0.717 0.688 1.00 0.63 H new ATOM 1234 N ARG A 75 12.224 0.816 -0.143 1.00 0.25 N ATOM 1235 CA ARG A 75 12.181 2.235 0.188 1.00 0.28 C ATOM 1236 C ARG A 75 10.869 2.858 -0.280 1.00 0.31 C ATOM 1237 O ARG A 75 10.370 2.536 -1.358 1.00 0.37 O ATOM 1238 CB ARG A 75 13.364 2.963 -0.454 1.00 0.33 C ATOM 1239 CG ARG A 75 13.649 4.325 0.157 1.00 0.54 C ATOM 1240 CD ARG A 75 12.869 5.423 -0.547 1.00 0.99 C ATOM 1241 NE ARG A 75 13.745 6.465 -1.075 1.00 1.50 N ATOM 1242 CZ ARG A 75 14.262 7.438 -0.332 1.00 1.80 C ATOM 1243 NH1 ARG A 75 13.990 7.500 0.964 1.00 2.25 N ATOM 1244 NH2 ARG A 75 15.050 8.348 -0.886 1.00 2.32 N ATOM 0 H ARG A 75 12.602 0.611 -1.068 1.00 0.25 H new ATOM 0 HA ARG A 75 12.246 2.337 1.271 1.00 0.28 H new ATOM 0 HB2 ARG A 75 14.254 2.341 -0.363 1.00 0.33 H new ATOM 0 HB3 ARG A 75 13.168 3.086 -1.519 1.00 0.33 H new ATOM 0 HG2 ARG A 75 13.388 4.312 1.215 1.00 0.54 H new ATOM 0 HG3 ARG A 75 14.716 4.537 0.094 1.00 0.54 H new ATOM 0 HD2 ARG A 75 12.289 4.990 -1.362 1.00 0.99 H new ATOM 0 HD3 ARG A 75 12.158 5.866 0.150 1.00 0.99 H new ATOM 0 HE ARG A 75 13.973 6.445 -2.069 1.00 1.50 H new ATOM 0 HH11 ARG A 75 13.383 6.800 1.392 1.00 2.25 H new ATOM 0 HH12 ARG A 75 14.387 8.247 1.533 1.00 2.25 H new ATOM 0 HH21 ARG A 75 15.260 8.302 -1.883 1.00 2.32 H new ATOM 0 HH22 ARG A 75 15.447 9.095 -0.315 1.00 2.32 H new ATOM 1258 N TRP A 76 10.309 3.743 0.538 1.00 0.41 N ATOM 1259 CA TRP A 76 9.049 4.397 0.205 1.00 0.48 C ATOM 1260 C TRP A 76 9.260 5.872 -0.117 1.00 0.38 C ATOM 1261 O TRP A 76 10.126 6.528 0.462 1.00 0.49 O ATOM 1262 CB TRP A 76 8.055 4.256 1.359 1.00 0.72 C ATOM 1263 CG TRP A 76 7.570 2.854 1.555 1.00 0.63 C ATOM 1264 CD1 TRP A 76 8.309 1.777 1.952 1.00 0.97 C ATOM 1265 CD2 TRP A 76 6.236 2.375 1.357 1.00 0.89 C ATOM 1266 NE1 TRP A 76 7.515 0.657 2.014 1.00 1.28 N ATOM 1267 CE2 TRP A 76 6.238 0.999 1.653 1.00 1.28 C ATOM 1268 CE3 TRP A 76 5.039 2.977 0.957 1.00 1.19 C ATOM 1269 CZ2 TRP A 76 5.091 0.217 1.563 1.00 1.78 C ATOM 1270 CZ3 TRP A 76 3.901 2.199 0.869 1.00 1.71 C ATOM 1271 CH2 TRP A 76 3.933 0.832 1.170 1.00 1.95 C ATOM 0 H TRP A 76 10.707 4.023 1.434 1.00 0.41 H new ATOM 0 HA TRP A 76 8.644 3.907 -0.681 1.00 0.48 H new ATOM 0 HB2 TRP A 76 8.526 4.602 2.279 1.00 0.72 H new ATOM 0 HB3 TRP A 76 7.200 4.906 1.174 1.00 0.72 H new ATOM 0 HD1 TRP A 76 9.364 1.802 2.184 1.00 0.97 H new ATOM 0 HE1 TRP A 76 7.825 -0.276 2.284 1.00 1.28 H new ATOM 0 HE3 TRP A 76 5.005 4.030 0.721 1.00 1.19 H new ATOM 0 HZ2 TRP A 76 5.113 -0.838 1.795 1.00 1.78 H new ATOM 0 HZ3 TRP A 76 2.970 2.653 0.563 1.00 1.71 H new ATOM 0 HH2 TRP A 76 3.026 0.251 1.091 1.00 1.95 H new ATOM 1282 N LYS A 77 8.456 6.389 -1.041 1.00 0.35 N ATOM 1283 CA LYS A 77 8.553 7.789 -1.445 1.00 0.32 C ATOM 1284 C LYS A 77 7.180 8.331 -1.822 1.00 0.28 C ATOM 1285 O LYS A 77 6.578 7.897 -2.803 1.00 0.37 O ATOM 1286 CB LYS A 77 9.517 7.965 -2.630 1.00 0.42 C ATOM 1287 CG LYS A 77 10.336 6.726 -2.972 1.00 0.62 C ATOM 1288 CD LYS A 77 10.883 6.794 -4.389 1.00 0.67 C ATOM 1289 CE LYS A 77 11.568 5.496 -4.786 1.00 0.84 C ATOM 1290 NZ LYS A 77 12.669 5.725 -5.760 1.00 1.58 N ATOM 0 H LYS A 77 7.730 5.860 -1.524 1.00 0.35 H new ATOM 0 HA LYS A 77 8.944 8.349 -0.595 1.00 0.32 H new ATOM 0 HB2 LYS A 77 8.942 8.258 -3.508 1.00 0.42 H new ATOM 0 HB3 LYS A 77 10.199 8.785 -2.407 1.00 0.42 H new ATOM 0 HG2 LYS A 77 11.161 6.628 -2.267 1.00 0.62 H new ATOM 0 HG3 LYS A 77 9.715 5.837 -2.863 1.00 0.62 H new ATOM 0 HD2 LYS A 77 10.070 7.005 -5.084 1.00 0.67 H new ATOM 0 HD3 LYS A 77 11.591 7.619 -4.467 1.00 0.67 H new ATOM 0 HE2 LYS A 77 11.966 5.009 -3.896 1.00 0.84 H new ATOM 0 HE3 LYS A 77 10.835 4.817 -5.220 1.00 0.84 H new ATOM 0 HZ1 LYS A 77 13.110 4.816 -6.005 1.00 1.58 H new ATOM 0 HZ2 LYS A 77 12.286 6.167 -6.620 1.00 1.58 H new ATOM 0 HZ3 LYS A 77 13.382 6.353 -5.337 1.00 1.58 H new ATOM 1304 N VAL A 78 6.685 9.276 -1.032 1.00 0.28 N ATOM 1305 CA VAL A 78 5.383 9.872 -1.287 1.00 0.27 C ATOM 1306 C VAL A 78 5.531 11.223 -1.982 1.00 0.25 C ATOM 1307 O VAL A 78 6.197 12.124 -1.475 1.00 0.35 O ATOM 1308 CB VAL A 78 4.581 10.043 0.020 1.00 0.39 C ATOM 1309 CG1 VAL A 78 3.248 10.730 -0.245 1.00 0.91 C ATOM 1310 CG2 VAL A 78 4.365 8.693 0.689 1.00 0.58 C ATOM 0 H VAL A 78 7.166 9.644 -0.211 1.00 0.28 H new ATOM 0 HA VAL A 78 4.837 9.194 -1.943 1.00 0.27 H new ATOM 0 HB VAL A 78 5.158 10.677 0.694 1.00 0.39 H new ATOM 0 HG11 VAL A 78 2.702 10.839 0.692 1.00 0.91 H new ATOM 0 HG12 VAL A 78 3.426 11.715 -0.678 1.00 0.91 H new ATOM 0 HG13 VAL A 78 2.661 10.129 -0.940 1.00 0.91 H new ATOM 0 HG21 VAL A 78 3.798 8.830 1.610 1.00 0.58 H new ATOM 0 HG22 VAL A 78 3.812 8.038 0.016 1.00 0.58 H new ATOM 0 HG23 VAL A 78 5.330 8.243 0.921 1.00 0.58 H new ATOM 1320 N LEU A 79 4.913 11.347 -3.153 1.00 0.21 N ATOM 1321 CA LEU A 79 4.979 12.579 -3.930 1.00 0.21 C ATOM 1322 C LEU A 79 3.852 13.528 -3.541 1.00 0.21 C ATOM 1323 O LEU A 79 3.967 14.744 -3.696 1.00 0.39 O ATOM 1324 CB LEU A 79 4.893 12.270 -5.429 1.00 0.24 C ATOM 1325 CG LEU A 79 5.412 10.892 -5.854 1.00 0.44 C ATOM 1326 CD1 LEU A 79 5.645 10.854 -7.356 1.00 0.38 C ATOM 1327 CD2 LEU A 79 6.689 10.541 -5.108 1.00 0.51 C ATOM 0 H LEU A 79 4.360 10.607 -3.585 1.00 0.21 H new ATOM 0 HA LEU A 79 5.933 13.060 -3.715 1.00 0.21 H new ATOM 0 HB2 LEU A 79 3.852 12.358 -5.740 1.00 0.24 H new ATOM 0 HB3 LEU A 79 5.453 13.032 -5.971 1.00 0.24 H new ATOM 0 HG LEU A 79 4.656 10.149 -5.600 1.00 0.44 H new ATOM 0 HD11 LEU A 79 6.013 9.869 -7.642 1.00 0.38 H new ATOM 0 HD12 LEU A 79 4.708 11.056 -7.875 1.00 0.38 H new ATOM 0 HD13 LEU A 79 6.381 11.610 -7.629 1.00 0.38 H new ATOM 0 HD21 LEU A 79 7.038 9.559 -5.426 1.00 0.51 H new ATOM 0 HD22 LEU A 79 7.454 11.286 -5.326 1.00 0.51 H new ATOM 0 HD23 LEU A 79 6.492 10.526 -4.036 1.00 0.51 H new ATOM 1339 N GLU A 80 2.759 12.960 -3.048 1.00 0.18 N ATOM 1340 CA GLU A 80 1.596 13.743 -2.658 1.00 0.18 C ATOM 1341 C GLU A 80 0.927 13.132 -1.431 1.00 0.16 C ATOM 1342 O GLU A 80 0.908 11.910 -1.279 1.00 0.19 O ATOM 1343 CB GLU A 80 0.607 13.804 -3.821 1.00 0.24 C ATOM 1344 CG GLU A 80 0.709 15.081 -4.639 1.00 0.93 C ATOM 1345 CD GLU A 80 0.256 16.306 -3.868 1.00 1.67 C ATOM 1346 OE1 GLU A 80 1.064 16.841 -3.078 1.00 2.24 O ATOM 1347 OE2 GLU A 80 -0.902 16.731 -4.054 1.00 2.16 O ATOM 0 H GLU A 80 2.655 11.955 -2.909 1.00 0.18 H new ATOM 0 HA GLU A 80 1.918 14.753 -2.405 1.00 0.18 H new ATOM 0 HB2 GLU A 80 0.775 12.949 -4.475 1.00 0.24 H new ATOM 0 HB3 GLU A 80 -0.407 13.712 -3.431 1.00 0.24 H new ATOM 0 HG2 GLU A 80 1.741 15.220 -4.961 1.00 0.93 H new ATOM 0 HG3 GLU A 80 0.105 14.980 -5.540 1.00 0.93 H new ATOM 1354 N PRO A 81 0.402 13.976 -0.516 1.00 0.20 N ATOM 1355 CA PRO A 81 -0.267 13.516 0.706 1.00 0.22 C ATOM 1356 C PRO A 81 -1.042 12.226 0.482 1.00 0.20 C ATOM 1357 O PRO A 81 -1.933 12.160 -0.364 1.00 0.22 O ATOM 1358 CB PRO A 81 -1.191 14.683 1.023 1.00 0.28 C ATOM 1359 CG PRO A 81 -0.398 15.875 0.602 1.00 0.33 C ATOM 1360 CD PRO A 81 0.385 15.447 -0.618 1.00 0.28 C ATOM 0 HA PRO A 81 0.424 13.273 1.513 1.00 0.22 H new ATOM 0 HB2 PRO A 81 -2.131 14.612 0.476 1.00 0.28 H new ATOM 0 HB3 PRO A 81 -1.442 14.721 2.083 1.00 0.28 H new ATOM 0 HG2 PRO A 81 -1.052 16.716 0.370 1.00 0.33 H new ATOM 0 HG3 PRO A 81 0.270 16.200 1.400 1.00 0.33 H new ATOM 0 HD2 PRO A 81 -0.093 15.780 -1.539 1.00 0.28 H new ATOM 0 HD3 PRO A 81 1.393 15.862 -0.614 1.00 0.28 H new ATOM 1368 N VAL A 82 -0.636 11.181 1.190 1.00 0.20 N ATOM 1369 CA VAL A 82 -1.190 9.858 0.970 1.00 0.19 C ATOM 1370 C VAL A 82 -2.196 9.450 2.053 1.00 0.18 C ATOM 1371 O VAL A 82 -1.988 9.688 3.244 1.00 0.24 O ATOM 1372 CB VAL A 82 -0.030 8.819 0.831 1.00 0.24 C ATOM 1373 CG1 VAL A 82 0.009 7.785 1.955 1.00 0.31 C ATOM 1374 CG2 VAL A 82 -0.101 8.134 -0.524 1.00 0.34 C ATOM 0 H VAL A 82 0.075 11.227 1.920 1.00 0.20 H new ATOM 0 HA VAL A 82 -1.756 9.881 0.039 1.00 0.19 H new ATOM 0 HB VAL A 82 0.899 9.383 0.912 1.00 0.24 H new ATOM 0 HG11 VAL A 82 0.840 7.099 1.790 1.00 0.31 H new ATOM 0 HG12 VAL A 82 0.141 8.292 2.911 1.00 0.31 H new ATOM 0 HG13 VAL A 82 -0.926 7.226 1.967 1.00 0.31 H new ATOM 0 HG21 VAL A 82 0.712 7.413 -0.610 1.00 0.34 H new ATOM 0 HG22 VAL A 82 -1.056 7.618 -0.621 1.00 0.34 H new ATOM 0 HG23 VAL A 82 -0.009 8.880 -1.314 1.00 0.34 H new ATOM 1384 N ARG A 83 -3.261 8.789 1.613 1.00 0.14 N ATOM 1385 CA ARG A 83 -4.275 8.248 2.509 1.00 0.17 C ATOM 1386 C ARG A 83 -4.484 6.775 2.180 1.00 0.22 C ATOM 1387 O ARG A 83 -4.877 6.432 1.065 1.00 0.25 O ATOM 1388 CB ARG A 83 -5.590 9.015 2.376 1.00 0.20 C ATOM 1389 CG ARG A 83 -5.624 10.301 3.184 1.00 0.62 C ATOM 1390 CD ARG A 83 -6.616 10.210 4.334 1.00 0.92 C ATOM 1391 NE ARG A 83 -7.197 11.509 4.659 1.00 1.25 N ATOM 1392 CZ ARG A 83 -7.822 11.769 5.803 1.00 1.71 C ATOM 1393 NH1 ARG A 83 -7.946 10.823 6.723 1.00 2.42 N ATOM 1394 NH2 ARG A 83 -8.326 12.975 6.025 1.00 2.02 N ATOM 0 H ARG A 83 -3.445 8.613 0.625 1.00 0.14 H new ATOM 0 HA ARG A 83 -3.936 8.353 3.540 1.00 0.17 H new ATOM 0 HB2 ARG A 83 -5.760 9.250 1.325 1.00 0.20 H new ATOM 0 HB3 ARG A 83 -6.411 8.372 2.695 1.00 0.20 H new ATOM 0 HG2 ARG A 83 -4.629 10.512 3.576 1.00 0.62 H new ATOM 0 HG3 ARG A 83 -5.894 11.133 2.534 1.00 0.62 H new ATOM 0 HD2 ARG A 83 -7.412 9.512 4.072 1.00 0.92 H new ATOM 0 HD3 ARG A 83 -6.115 9.807 5.214 1.00 0.92 H new ATOM 0 HE ARG A 83 -7.119 12.258 3.971 1.00 1.25 H new ATOM 0 HH11 ARG A 83 -7.561 9.894 6.554 1.00 2.42 H new ATOM 0 HH12 ARG A 83 -8.426 11.024 7.600 1.00 2.42 H new ATOM 0 HH21 ARG A 83 -8.234 13.704 5.318 1.00 2.02 H new ATOM 0 HH22 ARG A 83 -8.805 13.174 6.903 1.00 2.02 H new ATOM 1408 N LYS A 84 -4.146 5.904 3.121 1.00 0.28 N ATOM 1409 CA LYS A 84 -4.201 4.472 2.872 1.00 0.37 C ATOM 1410 C LYS A 84 -5.076 3.742 3.885 1.00 0.27 C ATOM 1411 O LYS A 84 -5.234 4.180 5.024 1.00 0.23 O ATOM 1412 CB LYS A 84 -2.776 3.909 2.902 1.00 0.56 C ATOM 1413 CG LYS A 84 -2.699 2.393 2.910 1.00 0.47 C ATOM 1414 CD LYS A 84 -1.262 1.923 3.065 1.00 0.91 C ATOM 1415 CE LYS A 84 -0.514 1.976 1.743 1.00 1.17 C ATOM 1416 NZ LYS A 84 0.958 2.067 1.941 1.00 1.63 N ATOM 0 H LYS A 84 -3.833 6.162 4.057 1.00 0.28 H new ATOM 0 HA LYS A 84 -4.652 4.314 1.892 1.00 0.37 H new ATOM 0 HB2 LYS A 84 -2.232 4.283 2.034 1.00 0.56 H new ATOM 0 HB3 LYS A 84 -2.266 4.291 3.787 1.00 0.56 H new ATOM 0 HG2 LYS A 84 -3.305 1.999 3.726 1.00 0.47 H new ATOM 0 HG3 LYS A 84 -3.117 1.999 1.984 1.00 0.47 H new ATOM 0 HD2 LYS A 84 -0.751 2.546 3.799 1.00 0.91 H new ATOM 0 HD3 LYS A 84 -1.251 0.903 3.450 1.00 0.91 H new ATOM 0 HE2 LYS A 84 -0.747 1.086 1.158 1.00 1.17 H new ATOM 0 HE3 LYS A 84 -0.856 2.835 1.166 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 1.444 1.566 1.170 1.00 1.63 H new ATOM 0 HZ2 LYS A 84 1.247 3.066 1.941 1.00 1.63 H new ATOM 0 HZ3 LYS A 84 1.213 1.633 2.851 1.00 1.63 H new ATOM 1430 N HIS A 85 -5.619 2.608 3.453 1.00 0.28 N ATOM 1431 CA HIS A 85 -6.441 1.767 4.310 1.00 0.22 C ATOM 1432 C HIS A 85 -5.655 0.524 4.715 1.00 0.22 C ATOM 1433 O HIS A 85 -4.636 0.206 4.102 1.00 0.27 O ATOM 1434 CB HIS A 85 -7.743 1.394 3.604 1.00 0.28 C ATOM 1435 CG HIS A 85 -8.803 2.441 3.748 1.00 0.31 C ATOM 1436 ND1 HIS A 85 -9.936 2.272 4.516 1.00 0.41 N ATOM 1437 CD2 HIS A 85 -8.878 3.691 3.239 1.00 0.37 C ATOM 1438 CE1 HIS A 85 -10.673 3.368 4.457 1.00 0.50 C ATOM 1439 NE2 HIS A 85 -10.051 4.244 3.691 1.00 0.48 N ATOM 0 H HIS A 85 -5.502 2.250 2.505 1.00 0.28 H new ATOM 0 HA HIS A 85 -6.703 2.320 5.212 1.00 0.22 H new ATOM 0 HB2 HIS A 85 -7.542 1.230 2.545 1.00 0.28 H new ATOM 0 HB3 HIS A 85 -8.113 0.452 4.008 1.00 0.28 H new ATOM 0 HD1 HIS A 85 -10.169 1.433 5.047 1.00 0.41 H new ATOM 0 HD2 HIS A 85 -8.151 4.166 2.597 1.00 0.37 H new ATOM 0 HE1 HIS A 85 -11.621 3.520 4.951 1.00 0.50 H new ATOM 1448 N TYR A 86 -6.117 -0.164 5.753 1.00 0.22 N ATOM 1449 CA TYR A 86 -5.370 -1.294 6.300 1.00 0.26 C ATOM 1450 C TYR A 86 -6.120 -2.614 6.210 1.00 0.26 C ATOM 1451 O TYR A 86 -7.348 -2.664 6.232 1.00 0.30 O ATOM 1452 CB TYR A 86 -5.037 -1.012 7.766 1.00 0.36 C ATOM 1453 CG TYR A 86 -3.816 -0.139 7.979 1.00 0.37 C ATOM 1454 CD1 TYR A 86 -3.127 0.420 6.908 1.00 0.52 C ATOM 1455 CD2 TYR A 86 -3.360 0.132 9.260 1.00 0.64 C ATOM 1456 CE1 TYR A 86 -2.022 1.213 7.107 1.00 0.53 C ATOM 1457 CE2 TYR A 86 -2.250 0.927 9.469 1.00 0.72 C ATOM 1458 CZ TYR A 86 -1.584 1.467 8.389 1.00 0.48 C ATOM 1459 OH TYR A 86 -0.479 2.260 8.592 1.00 0.57 O ATOM 0 H TYR A 86 -6.996 0.037 6.230 1.00 0.22 H new ATOM 0 HA TYR A 86 -4.467 -1.397 5.698 1.00 0.26 H new ATOM 0 HB2 TYR A 86 -5.896 -0.532 8.234 1.00 0.36 H new ATOM 0 HB3 TYR A 86 -4.883 -1.961 8.279 1.00 0.36 H new ATOM 0 HD1 TYR A 86 -3.467 0.227 5.901 1.00 0.52 H new ATOM 0 HD2 TYR A 86 -3.881 -0.286 10.109 1.00 0.64 H new ATOM 0 HE1 TYR A 86 -1.499 1.636 6.262 1.00 0.53 H new ATOM 0 HE2 TYR A 86 -1.905 1.125 10.473 1.00 0.72 H new ATOM 0 HH TYR A 86 -0.534 3.051 8.017 1.00 0.57 H new ATOM 1469 N ASN A 87 -5.339 -3.684 6.151 1.00 0.27 N ATOM 1470 CA ASN A 87 -5.864 -5.042 6.091 1.00 0.27 C ATOM 1471 C ASN A 87 -4.726 -6.042 6.260 1.00 0.32 C ATOM 1472 O ASN A 87 -4.440 -6.835 5.364 1.00 0.39 O ATOM 1473 CB ASN A 87 -6.587 -5.282 4.765 1.00 0.26 C ATOM 1474 CG ASN A 87 -7.822 -6.145 4.928 1.00 0.39 C ATOM 1475 OD1 ASN A 87 -8.731 -5.813 5.688 1.00 1.27 O ATOM 1476 ND2 ASN A 87 -7.862 -7.263 4.210 1.00 1.00 N ATOM 0 H ASN A 87 -4.320 -3.635 6.143 1.00 0.27 H new ATOM 0 HA ASN A 87 -6.582 -5.177 6.900 1.00 0.27 H new ATOM 0 HB2 ASN A 87 -6.872 -4.324 4.331 1.00 0.26 H new ATOM 0 HB3 ASN A 87 -5.904 -5.760 4.063 1.00 0.26 H new ATOM 0 HD21 ASN A 87 -8.669 -7.884 4.277 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -7.086 -7.500 3.592 1.00 1.00 H new ATOM 1483 N LEU A 88 -4.055 -5.967 7.407 1.00 0.36 N ATOM 1484 CA LEU A 88 -2.913 -6.832 7.687 1.00 0.43 C ATOM 1485 C LEU A 88 -3.251 -7.891 8.734 1.00 0.49 C ATOM 1486 O LEU A 88 -4.094 -7.678 9.605 1.00 0.52 O ATOM 1487 CB LEU A 88 -1.693 -6.012 8.139 1.00 0.53 C ATOM 1488 CG LEU A 88 -1.978 -4.642 8.773 1.00 0.62 C ATOM 1489 CD1 LEU A 88 -2.555 -3.681 7.748 1.00 1.21 C ATOM 1490 CD2 LEU A 88 -2.901 -4.773 9.975 1.00 1.56 C ATOM 0 H LEU A 88 -4.283 -5.315 8.158 1.00 0.36 H new ATOM 0 HA LEU A 88 -2.665 -7.343 6.757 1.00 0.43 H new ATOM 0 HB2 LEU A 88 -1.129 -6.608 8.857 1.00 0.53 H new ATOM 0 HB3 LEU A 88 -1.047 -5.859 7.275 1.00 0.53 H new ATOM 0 HG LEU A 88 -1.030 -4.234 9.125 1.00 0.62 H new ATOM 0 HD11 LEU A 88 -2.748 -2.718 8.221 1.00 1.21 H new ATOM 0 HD12 LEU A 88 -1.844 -3.549 6.933 1.00 1.21 H new ATOM 0 HD13 LEU A 88 -3.487 -4.086 7.354 1.00 1.21 H new ATOM 0 HD21 LEU A 88 -3.084 -3.787 10.402 1.00 1.56 H new ATOM 0 HD22 LEU A 88 -3.847 -5.214 9.661 1.00 1.56 H new ATOM 0 HD23 LEU A 88 -2.434 -5.412 10.724 1.00 1.56 H new ATOM 1502 N PHE A 89 -2.623 -9.056 8.607 1.00 0.57 N ATOM 1503 CA PHE A 89 -2.853 -10.156 9.538 1.00 0.67 C ATOM 1504 C PHE A 89 -1.636 -11.073 9.607 1.00 1.02 C ATOM 1505 O PHE A 89 -0.693 -10.864 8.814 1.00 1.77 O ATOM 1506 CB PHE A 89 -4.085 -10.958 9.117 1.00 1.01 C ATOM 1507 CG PHE A 89 -4.227 -11.107 7.629 1.00 0.71 C ATOM 1508 CD1 PHE A 89 -4.888 -10.144 6.883 1.00 1.05 C ATOM 1509 CD2 PHE A 89 -3.697 -12.209 6.975 1.00 1.00 C ATOM 1510 CE1 PHE A 89 -5.021 -10.278 5.514 1.00 1.19 C ATOM 1511 CE2 PHE A 89 -3.827 -12.347 5.606 1.00 1.03 C ATOM 1512 CZ PHE A 89 -4.491 -11.383 4.875 1.00 0.93 C ATOM 1513 OXT PHE A 89 -1.637 -11.993 10.452 1.00 1.45 O ATOM 0 H PHE A 89 -1.951 -9.263 7.868 1.00 0.57 H new ATOM 0 HA PHE A 89 -3.024 -9.732 10.528 1.00 0.67 H new ATOM 0 HB2 PHE A 89 -4.035 -11.948 9.570 1.00 1.01 H new ATOM 0 HB3 PHE A 89 -4.977 -10.471 9.512 1.00 1.01 H new ATOM 0 HD1 PHE A 89 -5.304 -9.279 7.377 1.00 1.05 H new ATOM 0 HD2 PHE A 89 -3.177 -12.967 7.541 1.00 1.00 H new ATOM 0 HE1 PHE A 89 -5.538 -9.520 4.944 1.00 1.19 H new ATOM 0 HE2 PHE A 89 -3.409 -13.209 5.108 1.00 1.03 H new ATOM 0 HZ PHE A 89 -4.596 -11.492 3.806 1.00 0.93 H new TER 1523 PHE A 89