USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 791 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 Single : A 1 MET CE :methyl 144:sc= -0.542 (180deg=-1) USER MOD Single : A 1 MET N :NH3+ -145:sc= 0.136 (180deg=-1.68) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.4!) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.164 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0793) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -60:sc= 0.988 USER MOD Single : A 60 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.1) USER MOD Single : A 63 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.014) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.578 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -160:sc= -0.747 (180deg=-2.08!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 85:sc= 0.154 USER MOD Single : A 84 MET CE :methyl -169:sc= -0.024 (180deg=-0.148) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -160:sc= 0 (180deg=-0.104) USER MOD Single : A 94 GLN : amide:sc= 0.232 X(o=0.23,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 34.917 21.238 -3.605 1.00 0.00 N ATOM 2 CA MET A 1 34.853 22.559 -3.003 1.00 0.00 C ATOM 3 C MET A 1 33.521 22.767 -2.278 1.00 0.00 C ATOM 4 O MET A 1 33.422 23.605 -1.384 1.00 0.00 O ATOM 5 CB MET A 1 35.014 23.624 -4.090 1.00 0.00 C ATOM 6 CG MET A 1 34.008 23.408 -5.222 1.00 0.00 C ATOM 7 SD MET A 1 34.670 22.260 -6.418 1.00 0.00 S ATOM 8 CE MET A 1 33.278 21.157 -6.594 1.00 0.00 C ATOM 0 H1 MET A 1 35.893 20.881 -3.556 1.00 0.00 H new ATOM 0 H2 MET A 1 34.285 20.591 -3.091 1.00 0.00 H new ATOM 0 H3 MET A 1 34.619 21.295 -4.600 1.00 0.00 H new ATOM 0 HA MET A 1 35.659 22.645 -2.275 1.00 0.00 H new ATOM 0 HB2 MET A 1 34.873 24.615 -3.657 1.00 0.00 H new ATOM 0 HB3 MET A 1 36.028 23.592 -4.489 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.071 23.025 -4.818 1.00 0.00 H new ATOM 0 HG3 MET A 1 33.782 24.359 -5.705 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.207 20.823 -7.629 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.413 20.294 -5.943 1.00 0.00 H new ATOM 0 HE3 MET A 1 32.362 21.680 -6.318 1.00 0.00 H new ATOM 18 N SER A 2 32.531 21.989 -2.691 1.00 0.00 N ATOM 19 CA SER A 2 31.210 22.078 -2.093 1.00 0.00 C ATOM 20 C SER A 2 30.339 20.915 -2.573 1.00 0.00 C ATOM 21 O SER A 2 29.956 20.054 -1.782 1.00 0.00 O ATOM 22 CB SER A 2 30.543 23.414 -2.425 1.00 0.00 C ATOM 23 OG SER A 2 29.857 23.962 -1.303 1.00 0.00 O ATOM 0 H SER A 2 32.617 21.294 -3.433 1.00 0.00 H new ATOM 0 HA SER A 2 31.320 22.018 -1.010 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.298 24.121 -2.769 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.840 23.274 -3.246 1.00 0.00 H new ATOM 0 HG SER A 2 29.446 24.815 -1.555 1.00 0.00 H new ATOM 29 N ALA A 3 30.052 20.928 -3.866 1.00 0.00 N ATOM 30 CA ALA A 3 29.233 19.886 -4.461 1.00 0.00 C ATOM 31 C ALA A 3 27.845 19.903 -3.817 1.00 0.00 C ATOM 32 O ALA A 3 27.664 20.469 -2.739 1.00 0.00 O ATOM 33 CB ALA A 3 29.932 18.534 -4.303 1.00 0.00 C ATOM 0 H ALA A 3 30.372 21.644 -4.518 1.00 0.00 H new ATOM 0 HA ALA A 3 29.103 20.063 -5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 3 29.317 17.752 -4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 3 30.900 18.564 -4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 3 30.077 18.321 -3.244 1.00 0.00 H new ATOM 39 N ASN A 4 26.901 19.277 -4.504 1.00 0.00 N ATOM 40 CA ASN A 4 25.535 19.214 -4.012 1.00 0.00 C ATOM 41 C ASN A 4 24.670 18.453 -5.019 1.00 0.00 C ATOM 42 O ASN A 4 24.178 19.035 -5.984 1.00 0.00 O ATOM 43 CB ASN A 4 24.944 20.615 -3.844 1.00 0.00 C ATOM 44 CG ASN A 4 23.834 20.620 -2.792 1.00 0.00 C ATOM 45 OD1 ASN A 4 23.846 19.862 -1.836 1.00 0.00 O ATOM 46 ND2 ASN A 4 22.876 21.514 -3.020 1.00 0.00 N ATOM 0 H ASN A 4 27.055 18.809 -5.397 1.00 0.00 H new ATOM 0 HA ASN A 4 25.548 18.711 -3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 4 25.729 21.312 -3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 4 24.547 20.963 -4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 4 22.090 21.595 -2.375 1.00 0.00 H new ATOM 0 HD22 ASN A 4 22.927 22.118 -3.840 1.00 0.00 H new ATOM 53 N ARG A 5 24.510 17.164 -4.759 1.00 0.00 N ATOM 54 CA ARG A 5 23.713 16.318 -5.630 1.00 0.00 C ATOM 55 C ARG A 5 23.733 14.872 -5.130 1.00 0.00 C ATOM 56 O ARG A 5 24.798 14.270 -5.002 1.00 0.00 O ATOM 57 CB ARG A 5 24.236 16.360 -7.067 1.00 0.00 C ATOM 58 CG ARG A 5 23.286 17.146 -7.973 1.00 0.00 C ATOM 59 CD ARG A 5 24.059 17.893 -9.062 1.00 0.00 C ATOM 60 NE ARG A 5 23.586 17.470 -10.399 1.00 0.00 N ATOM 61 CZ ARG A 5 23.995 16.347 -11.027 1.00 0.00 C ATOM 62 NH1 ARG A 5 24.891 15.523 -10.443 1.00 0.00 N ATOM 63 NH2 ARG A 5 23.506 16.067 -12.221 1.00 0.00 N ATOM 0 H ARG A 5 24.919 16.685 -3.957 1.00 0.00 H new ATOM 0 HA ARG A 5 22.691 16.697 -5.615 1.00 0.00 H new ATOM 0 HB2 ARG A 5 25.224 16.819 -7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 5 24.349 15.344 -7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 5 22.570 16.465 -8.433 1.00 0.00 H new ATOM 0 HG3 ARG A 5 22.713 17.856 -7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 5 23.924 18.968 -8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 5 25.126 17.693 -8.964 1.00 0.00 H new ATOM 0 HE ARG A 5 22.908 18.064 -10.876 1.00 0.00 H new ATOM 0 HH11 ARG A 5 25.264 15.747 -9.520 1.00 0.00 H new ATOM 0 HH12 ARG A 5 25.195 14.677 -10.924 1.00 0.00 H new ATOM 0 HH21 ARG A 5 22.830 16.695 -12.655 1.00 0.00 H new ATOM 0 HH22 ARG A 5 23.804 15.223 -12.709 1.00 0.00 H new ATOM 77 N ARG A 6 22.542 14.357 -4.860 1.00 0.00 N ATOM 78 CA ARG A 6 22.410 12.993 -4.376 1.00 0.00 C ATOM 79 C ARG A 6 20.933 12.599 -4.299 1.00 0.00 C ATOM 80 O ARG A 6 20.284 12.809 -3.275 1.00 0.00 O ATOM 81 CB ARG A 6 23.046 12.835 -2.993 1.00 0.00 C ATOM 82 CG ARG A 6 23.082 11.364 -2.572 1.00 0.00 C ATOM 83 CD ARG A 6 22.065 11.086 -1.464 1.00 0.00 C ATOM 84 NE ARG A 6 22.394 9.814 -0.782 1.00 0.00 N ATOM 85 CZ ARG A 6 23.421 9.661 0.080 1.00 0.00 C ATOM 86 NH1 ARG A 6 24.230 10.702 0.373 1.00 0.00 N ATOM 87 NH2 ARG A 6 23.624 8.479 0.631 1.00 0.00 N ATOM 0 H ARG A 6 21.661 14.859 -4.967 1.00 0.00 H new ATOM 0 HA ARG A 6 22.928 12.340 -5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 6 24.059 13.238 -3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 6 22.482 13.413 -2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 6 22.869 10.730 -3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 6 24.083 11.106 -2.225 1.00 0.00 H new ATOM 0 HD2 ARG A 6 22.066 11.905 -0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 6 21.061 11.033 -1.885 1.00 0.00 H new ATOM 0 HE ARG A 6 21.808 9.002 -0.976 1.00 0.00 H new ATOM 0 HH11 ARG A 6 24.067 11.612 -0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 6 25.004 10.578 1.026 1.00 0.00 H new ATOM 0 HH21 ARG A 6 23.009 7.698 0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 6 24.396 8.347 1.285 1.00 0.00 H new ATOM 101 N TRP A 7 20.446 12.034 -5.394 1.00 0.00 N ATOM 102 CA TRP A 7 19.059 11.608 -5.463 1.00 0.00 C ATOM 103 C TRP A 7 18.994 10.345 -6.323 1.00 0.00 C ATOM 104 O TRP A 7 18.093 10.196 -7.147 1.00 0.00 O ATOM 105 CB TRP A 7 18.165 12.735 -5.986 1.00 0.00 C ATOM 106 CG TRP A 7 16.753 12.283 -6.366 1.00 0.00 C ATOM 107 CD1 TRP A 7 15.780 11.849 -5.554 1.00 0.00 C ATOM 108 CD2 TRP A 7 16.193 12.240 -7.695 1.00 0.00 C ATOM 109 NE1 TRP A 7 14.638 11.530 -6.260 1.00 0.00 N ATOM 110 CE2 TRP A 7 14.897 11.775 -7.603 1.00 0.00 C ATOM 111 CE3 TRP A 7 16.762 12.582 -8.934 1.00 0.00 C ATOM 112 CZ2 TRP A 7 14.061 11.610 -8.714 1.00 0.00 C ATOM 113 CZ3 TRP A 7 15.914 12.412 -10.035 1.00 0.00 C ATOM 114 CH2 TRP A 7 14.607 11.945 -9.959 1.00 0.00 C ATOM 0 H TRP A 7 20.988 11.861 -6.241 1.00 0.00 H new ATOM 0 HA TRP A 7 18.678 11.372 -4.469 1.00 0.00 H new ATOM 0 HB2 TRP A 7 18.094 13.512 -5.225 1.00 0.00 H new ATOM 0 HB3 TRP A 7 18.638 13.186 -6.858 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.877 11.760 -4.482 1.00 0.00 H new ATOM 0 HE1 TRP A 7 13.764 11.179 -5.868 1.00 0.00 H new ATOM 0 HE3 TRP A 7 17.774 12.947 -9.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 13.050 11.244 -8.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 16.302 12.661 -11.011 1.00 0.00 H new ATOM 0 HH2 TRP A 7 14.015 11.841 -10.856 1.00 0.00 H new ATOM 125 N TRP A 8 19.962 9.467 -6.103 1.00 0.00 N ATOM 126 CA TRP A 8 20.026 8.222 -6.848 1.00 0.00 C ATOM 127 C TRP A 8 20.898 7.243 -6.059 1.00 0.00 C ATOM 128 O TRP A 8 21.548 7.629 -5.088 1.00 0.00 O ATOM 129 CB TRP A 8 20.533 8.460 -8.272 1.00 0.00 C ATOM 130 CG TRP A 8 22.023 8.799 -8.353 1.00 0.00 C ATOM 131 CD1 TRP A 8 22.672 9.811 -7.761 1.00 0.00 C ATOM 132 CD2 TRP A 8 23.029 8.081 -9.097 1.00 0.00 C ATOM 133 NE1 TRP A 8 24.018 9.797 -8.068 1.00 0.00 N ATOM 134 CE2 TRP A 8 24.242 8.711 -8.906 1.00 0.00 C ATOM 135 CE3 TRP A 8 22.919 6.935 -9.905 1.00 0.00 C ATOM 136 CZ2 TRP A 8 25.436 8.271 -9.490 1.00 0.00 C ATOM 137 CZ3 TRP A 8 24.121 6.507 -10.481 1.00 0.00 C ATOM 138 CH2 TRP A 8 25.350 7.131 -10.299 1.00 0.00 C ATOM 0 H TRP A 8 20.708 9.594 -5.419 1.00 0.00 H new ATOM 0 HA TRP A 8 19.032 7.789 -6.962 1.00 0.00 H new ATOM 0 HB2 TRP A 8 20.341 7.569 -8.869 1.00 0.00 H new ATOM 0 HB3 TRP A 8 19.961 9.273 -8.719 1.00 0.00 H new ATOM 0 HD1 TRP A 8 22.201 10.545 -7.124 1.00 0.00 H new ATOM 0 HE1 TRP A 8 24.719 10.461 -7.740 1.00 0.00 H new ATOM 0 HE3 TRP A 8 21.981 6.425 -10.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 26.373 8.783 -9.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 24.092 5.630 -11.111 1.00 0.00 H new ATOM 0 HH2 TRP A 8 26.234 6.738 -10.779 1.00 0.00 H new ATOM 149 N VAL A 9 20.885 5.996 -6.505 1.00 0.00 N ATOM 150 CA VAL A 9 21.666 4.959 -5.852 1.00 0.00 C ATOM 151 C VAL A 9 21.147 3.586 -6.285 1.00 0.00 C ATOM 152 O VAL A 9 21.921 2.736 -6.722 1.00 0.00 O ATOM 153 CB VAL A 9 21.637 5.158 -4.335 1.00 0.00 C ATOM 154 CG1 VAL A 9 21.413 3.829 -3.612 1.00 0.00 C ATOM 155 CG2 VAL A 9 22.917 5.839 -3.847 1.00 0.00 C ATOM 0 H VAL A 9 20.346 5.680 -7.311 1.00 0.00 H new ATOM 0 HA VAL A 9 22.711 5.021 -6.154 1.00 0.00 H new ATOM 0 HB VAL A 9 20.798 5.813 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 9 21.397 3.999 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 9 20.462 3.400 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 9 22.221 3.140 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 9 22.871 5.969 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.778 5.221 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 9 23.016 6.813 -4.325 1.00 0.00 H new ATOM 165 N PRO A 10 19.806 3.409 -6.146 1.00 0.00 N ATOM 166 CA PRO A 10 19.175 2.154 -6.517 1.00 0.00 C ATOM 167 C PRO A 10 19.069 2.023 -8.038 1.00 0.00 C ATOM 168 O PRO A 10 18.929 3.021 -8.743 1.00 0.00 O ATOM 169 CB PRO A 10 17.821 2.175 -5.827 1.00 0.00 C ATOM 170 CG PRO A 10 17.554 3.631 -5.479 1.00 0.00 C ATOM 171 CD PRO A 10 18.859 4.394 -5.632 1.00 0.00 C ATOM 0 HA PRO A 10 19.753 1.284 -6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.043 1.781 -6.481 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.829 1.554 -4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.790 4.046 -6.136 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.179 3.717 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 10 18.749 5.233 -6.319 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.192 4.804 -4.679 1.00 0.00 H new ATOM 179 N PRO A 11 19.142 0.750 -8.512 1.00 0.00 N ATOM 180 CA PRO A 11 19.056 0.475 -9.936 1.00 0.00 C ATOM 181 C PRO A 11 17.617 0.615 -10.435 1.00 0.00 C ATOM 182 O PRO A 11 17.305 1.534 -11.192 1.00 0.00 O ATOM 183 CB PRO A 11 19.607 -0.932 -10.099 1.00 0.00 C ATOM 184 CG PRO A 11 19.548 -1.565 -8.719 1.00 0.00 C ATOM 185 CD PRO A 11 19.308 -0.457 -7.707 1.00 0.00 C ATOM 0 HA PRO A 11 19.626 1.184 -10.537 1.00 0.00 H new ATOM 0 HB2 PRO A 11 19.016 -1.502 -10.816 1.00 0.00 H new ATOM 0 HB3 PRO A 11 20.630 -0.910 -10.475 1.00 0.00 H new ATOM 0 HG2 PRO A 11 18.748 -2.304 -8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 11 20.479 -2.088 -8.499 1.00 0.00 H new ATOM 0 HD2 PRO A 11 18.422 -0.656 -7.104 1.00 0.00 H new ATOM 0 HD3 PRO A 11 20.147 -0.361 -7.018 1.00 0.00 H new ATOM 193 N ASP A 12 16.778 -0.309 -9.992 1.00 0.00 N ATOM 194 CA ASP A 12 15.379 -0.301 -10.384 1.00 0.00 C ATOM 195 C ASP A 12 14.613 0.689 -9.504 1.00 0.00 C ATOM 196 O ASP A 12 15.196 1.326 -8.628 1.00 0.00 O ATOM 197 CB ASP A 12 14.747 -1.682 -10.202 1.00 0.00 C ATOM 198 CG ASP A 12 15.653 -2.860 -10.563 1.00 0.00 C ATOM 199 OD1 ASP A 12 16.592 -3.195 -9.825 1.00 0.00 O ATOM 200 OD2 ASP A 12 15.361 -3.454 -11.671 1.00 0.00 O ATOM 0 H ASP A 12 17.040 -1.069 -9.365 1.00 0.00 H new ATOM 0 HA ASP A 12 15.325 -0.016 -11.435 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.435 -1.788 -9.163 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.846 -1.736 -10.813 1.00 0.00 H new ATOM 205 N ASP A 13 13.318 0.788 -9.768 1.00 0.00 N ATOM 206 CA ASP A 13 12.466 1.689 -9.011 1.00 0.00 C ATOM 207 C ASP A 13 11.508 0.870 -8.144 1.00 0.00 C ATOM 208 O ASP A 13 11.452 1.055 -6.929 1.00 0.00 O ATOM 209 CB ASP A 13 11.629 2.568 -9.942 1.00 0.00 C ATOM 210 CG ASP A 13 12.109 4.014 -10.071 1.00 0.00 C ATOM 211 OD1 ASP A 13 13.307 4.304 -9.938 1.00 0.00 O ATOM 212 OD2 ASP A 13 11.182 4.876 -10.323 1.00 0.00 O ATOM 0 H ASP A 13 12.838 0.259 -10.496 1.00 0.00 H new ATOM 0 HA ASP A 13 13.106 2.323 -8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.619 2.115 -10.933 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.600 2.573 -9.584 1.00 0.00 H new ATOM 217 N GLU A 14 10.776 -0.017 -8.803 1.00 0.00 N ATOM 218 CA GLU A 14 9.822 -0.864 -8.107 1.00 0.00 C ATOM 219 C GLU A 14 9.593 -2.158 -8.890 1.00 0.00 C ATOM 220 O GLU A 14 9.837 -3.250 -8.378 1.00 0.00 O ATOM 221 CB GLU A 14 8.503 -0.126 -7.870 1.00 0.00 C ATOM 222 CG GLU A 14 8.280 0.132 -6.379 1.00 0.00 C ATOM 223 CD GLU A 14 6.999 0.936 -6.148 1.00 0.00 C ATOM 224 OE1 GLU A 14 7.052 2.168 -6.527 1.00 0.00 O ATOM 225 OE2 GLU A 14 6.012 0.394 -5.629 1.00 0.00 O ATOM 0 H GLU A 14 10.824 -0.167 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 14 10.237 -1.120 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.510 0.821 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.676 -0.714 -8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.219 -0.817 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.132 0.673 -5.968 1.00 0.00 H new ATOM 232 N ASP A 15 9.127 -1.994 -10.120 1.00 0.00 N ATOM 233 CA ASP A 15 8.862 -3.135 -10.979 1.00 0.00 C ATOM 234 C ASP A 15 7.818 -4.036 -10.315 1.00 0.00 C ATOM 235 O ASP A 15 8.058 -5.226 -10.113 1.00 0.00 O ATOM 236 CB ASP A 15 10.129 -3.964 -11.201 1.00 0.00 C ATOM 237 CG ASP A 15 11.381 -3.152 -11.537 1.00 0.00 C ATOM 238 OD1 ASP A 15 11.334 -2.211 -12.343 1.00 0.00 O ATOM 239 OD2 ASP A 15 12.454 -3.525 -10.926 1.00 0.00 O ATOM 0 H ASP A 15 8.926 -1.087 -10.542 1.00 0.00 H new ATOM 0 HA ASP A 15 8.504 -2.759 -11.938 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.324 -4.550 -10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.945 -4.672 -12.009 1.00 0.00 H new ATOM 244 N CYS A 16 6.682 -3.435 -9.993 1.00 0.00 N ATOM 245 CA CYS A 16 5.602 -4.168 -9.356 1.00 0.00 C ATOM 246 C CYS A 16 6.111 -4.708 -8.018 1.00 0.00 C ATOM 247 O CYS A 16 6.158 -3.980 -7.028 1.00 0.00 O ATOM 248 CB CYS A 16 5.068 -5.284 -10.256 1.00 0.00 C ATOM 249 SG CYS A 16 3.981 -4.579 -11.549 1.00 0.00 S ATOM 0 H CYS A 16 6.486 -2.448 -10.162 1.00 0.00 H new ATOM 0 HA CYS A 16 4.760 -3.499 -9.180 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.898 -5.818 -10.719 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.515 -6.010 -9.660 1.00 0.00 H new ATOM 0 HG CYS A 16 3.535 -5.535 -12.309 1.00 0.00 H new ATOM 255 N VAL A 17 6.479 -5.981 -8.032 1.00 0.00 N ATOM 256 CA VAL A 17 6.982 -6.627 -6.832 1.00 0.00 C ATOM 257 C VAL A 17 8.300 -7.335 -7.154 1.00 0.00 C ATOM 258 O VAL A 17 9.273 -7.212 -6.411 1.00 0.00 O ATOM 259 CB VAL A 17 5.921 -7.570 -6.260 1.00 0.00 C ATOM 260 CG1 VAL A 17 4.716 -6.786 -5.738 1.00 0.00 C ATOM 261 CG2 VAL A 17 5.492 -8.607 -7.300 1.00 0.00 C ATOM 0 H VAL A 17 6.439 -6.582 -8.855 1.00 0.00 H new ATOM 0 HA VAL A 17 7.190 -5.887 -6.059 1.00 0.00 H new ATOM 0 HB VAL A 17 6.364 -8.103 -5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.977 -7.479 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.039 -6.104 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.273 -6.215 -6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.738 -9.265 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.076 -8.099 -8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.357 -9.197 -7.604 1.00 0.00 H new ATOM 271 N SER A 18 8.290 -8.061 -8.262 1.00 0.00 N ATOM 272 CA SER A 18 9.472 -8.788 -8.692 1.00 0.00 C ATOM 273 C SER A 18 9.912 -9.763 -7.598 1.00 0.00 C ATOM 274 O SER A 18 9.344 -9.775 -6.507 1.00 0.00 O ATOM 275 CB SER A 18 10.613 -7.830 -9.039 1.00 0.00 C ATOM 276 OG SER A 18 11.377 -8.289 -10.150 1.00 0.00 O ATOM 0 H SER A 18 7.481 -8.161 -8.875 1.00 0.00 H new ATOM 0 HA SER A 18 9.220 -9.349 -9.592 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.204 -6.845 -9.263 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.265 -7.715 -8.173 1.00 0.00 H new ATOM 0 HG SER A 18 12.094 -7.649 -10.341 1.00 0.00 H new ATOM 282 N GLU A 19 10.920 -10.557 -7.928 1.00 0.00 N ATOM 283 CA GLU A 19 11.443 -11.533 -6.988 1.00 0.00 C ATOM 284 C GLU A 19 11.812 -10.854 -5.667 1.00 0.00 C ATOM 285 O GLU A 19 11.840 -11.499 -4.620 1.00 0.00 O ATOM 286 CB GLU A 19 12.645 -12.274 -7.577 1.00 0.00 C ATOM 287 CG GLU A 19 13.765 -11.298 -7.943 1.00 0.00 C ATOM 288 CD GLU A 19 14.840 -11.264 -6.855 1.00 0.00 C ATOM 289 OE1 GLU A 19 15.347 -12.321 -6.452 1.00 0.00 O ATOM 290 OE2 GLU A 19 15.146 -10.086 -6.427 1.00 0.00 O ATOM 0 H GLU A 19 11.389 -10.544 -8.834 1.00 0.00 H new ATOM 0 HA GLU A 19 10.665 -12.270 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.015 -13.004 -6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.336 -12.828 -8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.213 -11.592 -8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.351 -10.299 -8.082 1.00 0.00 H new ATOM 297 N LYS A 20 12.084 -9.561 -5.760 1.00 0.00 N ATOM 298 CA LYS A 20 12.450 -8.787 -4.586 1.00 0.00 C ATOM 299 C LYS A 20 11.360 -8.935 -3.523 1.00 0.00 C ATOM 300 O LYS A 20 11.599 -9.503 -2.458 1.00 0.00 O ATOM 301 CB LYS A 20 12.741 -7.335 -4.970 1.00 0.00 C ATOM 302 CG LYS A 20 13.748 -6.703 -4.007 1.00 0.00 C ATOM 303 CD LYS A 20 13.041 -6.113 -2.785 1.00 0.00 C ATOM 304 CE LYS A 20 13.419 -4.643 -2.590 1.00 0.00 C ATOM 305 NZ LYS A 20 12.901 -4.142 -1.297 1.00 0.00 N ATOM 0 H LYS A 20 12.058 -9.030 -6.630 1.00 0.00 H new ATOM 0 HA LYS A 20 13.374 -9.169 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.131 -7.296 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.815 -6.760 -4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.471 -7.453 -3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.307 -5.921 -4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.961 -6.202 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.309 -6.682 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.503 -4.533 -2.622 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.014 -4.046 -3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.166 -3.143 -1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.865 -4.229 -1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.308 -4.701 -0.520 1.00 0.00 H new ATOM 319 N LEU A 21 10.185 -8.415 -3.849 1.00 0.00 N ATOM 320 CA LEU A 21 9.058 -8.482 -2.935 1.00 0.00 C ATOM 321 C LEU A 21 8.631 -9.942 -2.766 1.00 0.00 C ATOM 322 O LEU A 21 8.400 -10.399 -1.647 1.00 0.00 O ATOM 323 CB LEU A 21 7.930 -7.563 -3.408 1.00 0.00 C ATOM 324 CG LEU A 21 7.692 -6.307 -2.568 1.00 0.00 C ATOM 325 CD1 LEU A 21 7.217 -6.671 -1.160 1.00 0.00 C ATOM 326 CD2 LEU A 21 8.939 -5.421 -2.540 1.00 0.00 C ATOM 0 H LEU A 21 9.990 -7.946 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 21 9.344 -8.116 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.143 -7.256 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.005 -8.139 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 21 6.896 -5.729 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.055 -5.760 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.284 -7.230 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.973 -7.282 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.742 -4.535 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.771 -5.977 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.193 -5.118 -3.556 1.00 0.00 H new ATOM 338 N LEU A 22 8.539 -10.633 -3.892 1.00 0.00 N ATOM 339 CA LEU A 22 8.144 -12.031 -3.882 1.00 0.00 C ATOM 340 C LEU A 22 8.830 -12.742 -2.714 1.00 0.00 C ATOM 341 O LEU A 22 8.169 -13.385 -1.899 1.00 0.00 O ATOM 342 CB LEU A 22 8.421 -12.676 -5.242 1.00 0.00 C ATOM 343 CG LEU A 22 7.231 -13.369 -5.910 1.00 0.00 C ATOM 344 CD1 LEU A 22 6.713 -12.548 -7.093 1.00 0.00 C ATOM 345 CD2 LEU A 22 7.588 -14.800 -6.318 1.00 0.00 C ATOM 0 H LEU A 22 8.731 -10.251 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 22 7.069 -12.122 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.794 -11.906 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.220 -13.407 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 22 6.421 -13.434 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.868 -13.062 -7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.394 -11.566 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.508 -12.430 -7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.725 -15.270 -6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.421 -14.781 -7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.873 -15.370 -5.434 1.00 0.00 H new ATOM 357 N ARG A 23 10.147 -12.602 -2.668 1.00 0.00 N ATOM 358 CA ARG A 23 10.929 -13.223 -1.613 1.00 0.00 C ATOM 359 C ARG A 23 10.699 -12.499 -0.285 1.00 0.00 C ATOM 360 O ARG A 23 10.590 -13.135 0.762 1.00 0.00 O ATOM 361 CB ARG A 23 12.422 -13.198 -1.947 1.00 0.00 C ATOM 362 CG ARG A 23 13.233 -13.953 -0.892 1.00 0.00 C ATOM 363 CD ARG A 23 14.649 -14.244 -1.392 1.00 0.00 C ATOM 364 NE ARG A 23 15.610 -14.161 -0.270 1.00 0.00 N ATOM 365 CZ ARG A 23 16.871 -14.641 -0.316 1.00 0.00 C ATOM 366 NH1 ARG A 23 17.335 -15.242 -1.432 1.00 0.00 N ATOM 367 NH2 ARG A 23 17.644 -14.513 0.747 1.00 0.00 N ATOM 0 H ARG A 23 10.692 -12.067 -3.345 1.00 0.00 H new ATOM 0 HA ARG A 23 10.604 -14.260 -1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.587 -13.646 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.768 -12.166 -2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.281 -13.365 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.732 -14.889 -0.644 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.688 -15.236 -1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.923 -13.531 -2.169 1.00 0.00 H new ATOM 0 HE ARG A 23 15.300 -13.713 0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.732 -15.336 -2.249 1.00 0.00 H new ATOM 0 HH12 ARG A 23 18.289 -15.602 -1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.286 -14.057 1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.599 -14.870 0.729 1.00 0.00 H new ATOM 381 N LYS A 24 10.631 -11.179 -0.372 1.00 0.00 N ATOM 382 CA LYS A 24 10.415 -10.361 0.810 1.00 0.00 C ATOM 383 C LYS A 24 9.377 -11.036 1.709 1.00 0.00 C ATOM 384 O LYS A 24 9.597 -11.191 2.909 1.00 0.00 O ATOM 385 CB LYS A 24 10.046 -8.931 0.412 1.00 0.00 C ATOM 386 CG LYS A 24 10.104 -7.993 1.620 1.00 0.00 C ATOM 387 CD LYS A 24 11.529 -7.489 1.855 1.00 0.00 C ATOM 388 CE LYS A 24 11.821 -7.346 3.350 1.00 0.00 C ATOM 389 NZ LYS A 24 13.014 -8.138 3.724 1.00 0.00 N ATOM 0 H LYS A 24 10.722 -10.655 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 24 11.335 -10.279 1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.729 -8.577 -0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.044 -8.916 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.437 -7.146 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.748 -8.515 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.242 -8.181 1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.664 -6.527 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.982 -6.296 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.960 -7.680 3.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.198 -8.029 4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.846 -9.141 3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.837 -7.801 3.186 1.00 0.00 H new ATOM 403 N THR A 25 8.268 -11.421 1.094 1.00 0.00 N ATOM 404 CA THR A 25 7.196 -12.075 1.824 1.00 0.00 C ATOM 405 C THR A 25 7.013 -13.511 1.327 1.00 0.00 C ATOM 406 O THR A 25 6.762 -13.736 0.144 1.00 0.00 O ATOM 407 CB THR A 25 5.937 -11.218 1.683 1.00 0.00 C ATOM 408 OG1 THR A 25 4.866 -12.144 1.851 1.00 0.00 O ATOM 409 CG2 THR A 25 5.748 -10.684 0.262 1.00 0.00 C ATOM 0 H THR A 25 8.089 -11.292 0.098 1.00 0.00 H new ATOM 0 HA THR A 25 7.432 -12.158 2.885 1.00 0.00 H new ATOM 0 HB THR A 25 5.987 -10.382 2.381 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.011 -11.672 1.776 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.840 -10.082 0.217 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.605 -10.069 -0.012 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.664 -11.520 -0.433 1.00 0.00 H new ATOM 417 N ARG A 26 7.144 -14.446 2.257 1.00 0.00 N ATOM 418 CA ARG A 26 6.996 -15.854 1.929 1.00 0.00 C ATOM 419 C ARG A 26 7.296 -16.718 3.156 1.00 0.00 C ATOM 420 O ARG A 26 8.440 -17.112 3.377 1.00 0.00 O ATOM 421 CB ARG A 26 7.934 -16.255 0.789 1.00 0.00 C ATOM 422 CG ARG A 26 7.251 -17.241 -0.161 1.00 0.00 C ATOM 423 CD ARG A 26 6.848 -16.553 -1.467 1.00 0.00 C ATOM 424 NE ARG A 26 5.384 -16.658 -1.663 1.00 0.00 N ATOM 425 CZ ARG A 26 4.734 -17.815 -1.907 1.00 0.00 C ATOM 426 NH1 ARG A 26 5.414 -18.979 -1.987 1.00 0.00 N ATOM 427 NH2 ARG A 26 3.424 -17.793 -2.066 1.00 0.00 N ATOM 0 H ARG A 26 7.351 -14.256 3.238 1.00 0.00 H new ATOM 0 HA ARG A 26 5.966 -16.015 1.610 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.242 -15.367 0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.838 -16.706 1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.924 -18.071 -0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.368 -17.663 0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.146 -15.505 -1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.370 -17.013 -2.306 1.00 0.00 H new ATOM 0 HE ARG A 26 4.832 -15.802 -1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.426 -18.988 -1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.915 -19.849 -2.172 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.917 -16.910 -2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.918 -18.659 -2.251 1.00 0.00 H new ATOM 441 N GLU A 27 6.248 -16.988 3.920 1.00 0.00 N ATOM 442 CA GLU A 27 6.384 -17.799 5.118 1.00 0.00 C ATOM 443 C GLU A 27 5.022 -17.990 5.788 1.00 0.00 C ATOM 444 O GLU A 27 4.596 -19.119 6.026 1.00 0.00 O ATOM 445 CB GLU A 27 7.390 -17.178 6.089 1.00 0.00 C ATOM 446 CG GLU A 27 7.103 -15.690 6.299 1.00 0.00 C ATOM 447 CD GLU A 27 8.403 -14.894 6.431 1.00 0.00 C ATOM 448 OE1 GLU A 27 9.471 -15.483 6.655 1.00 0.00 O ATOM 449 OE2 GLU A 27 8.277 -13.618 6.291 1.00 0.00 O ATOM 0 H GLU A 27 5.301 -16.659 3.733 1.00 0.00 H new ATOM 0 HA GLU A 27 6.765 -18.778 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.347 -17.699 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.401 -17.306 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.521 -15.306 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.498 -15.556 7.195 1.00 0.00 H new ATOM 456 N SER A 28 4.376 -16.868 6.073 1.00 0.00 N ATOM 457 CA SER A 28 3.071 -16.898 6.710 1.00 0.00 C ATOM 458 C SER A 28 1.990 -16.488 5.708 1.00 0.00 C ATOM 459 O SER A 28 2.297 -15.981 4.631 1.00 0.00 O ATOM 460 CB SER A 28 3.035 -15.981 7.934 1.00 0.00 C ATOM 461 OG SER A 28 4.257 -15.268 8.103 1.00 0.00 O ATOM 0 H SER A 28 4.732 -15.933 5.874 1.00 0.00 H new ATOM 0 HA SER A 28 2.878 -17.917 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.213 -15.272 7.832 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.835 -16.575 8.826 1.00 0.00 H new ATOM 0 HG SER A 28 4.193 -14.693 8.894 1.00 0.00 H new ATOM 467 N PRO A 29 0.713 -16.729 6.110 1.00 0.00 N ATOM 468 CA PRO A 29 -0.416 -16.390 5.260 1.00 0.00 C ATOM 469 C PRO A 29 -0.665 -14.881 5.255 1.00 0.00 C ATOM 470 O PRO A 29 -0.054 -14.144 6.028 1.00 0.00 O ATOM 471 CB PRO A 29 -1.584 -17.184 5.822 1.00 0.00 C ATOM 472 CG PRO A 29 -1.182 -17.572 7.236 1.00 0.00 C ATOM 473 CD PRO A 29 0.311 -17.327 7.380 1.00 0.00 C ATOM 0 HA PRO A 29 -0.246 -16.644 4.214 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.496 -16.588 5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.783 -18.068 5.216 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.738 -16.983 7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.417 -18.619 7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.524 -16.661 8.216 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.848 -18.257 7.568 1.00 0.00 H new ATOM 481 N LEU A 30 -1.565 -14.465 4.376 1.00 0.00 N ATOM 482 CA LEU A 30 -1.903 -13.056 4.260 1.00 0.00 C ATOM 483 C LEU A 30 -3.168 -12.771 5.072 1.00 0.00 C ATOM 484 O LEU A 30 -3.439 -11.624 5.424 1.00 0.00 O ATOM 485 CB LEU A 30 -2.012 -12.650 2.789 1.00 0.00 C ATOM 486 CG LEU A 30 -3.160 -13.284 2.002 1.00 0.00 C ATOM 487 CD1 LEU A 30 -4.095 -12.213 1.437 1.00 0.00 C ATOM 488 CD2 LEU A 30 -2.629 -14.215 0.910 1.00 0.00 C ATOM 0 H LEU A 30 -2.071 -15.079 3.737 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.109 -12.438 4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.118 -11.566 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.075 -12.902 2.293 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.747 -13.895 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.902 -12.691 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.514 -11.628 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.536 -11.556 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.466 -14.652 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.005 -13.647 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.037 -15.009 1.365 1.00 0.00 H new ATOM 500 N VAL A 31 -3.909 -13.835 5.346 1.00 0.00 N ATOM 501 CA VAL A 31 -5.139 -13.714 6.110 1.00 0.00 C ATOM 502 C VAL A 31 -4.908 -12.774 7.294 1.00 0.00 C ATOM 503 O VAL A 31 -5.674 -11.834 7.504 1.00 0.00 O ATOM 504 CB VAL A 31 -5.630 -15.100 6.534 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.112 -15.090 7.986 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.729 -15.602 5.595 1.00 0.00 C ATOM 0 H VAL A 31 -3.681 -14.785 5.052 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.928 -13.278 5.497 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.789 -15.790 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.456 -16.087 8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.291 -14.795 8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.933 -14.381 8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.061 -16.589 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.571 -14.910 5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.339 -15.665 4.579 1.00 0.00 H new ATOM 516 N PRO A 32 -3.821 -13.066 8.057 1.00 0.00 N ATOM 517 CA PRO A 32 -3.480 -12.257 9.215 1.00 0.00 C ATOM 518 C PRO A 32 -2.865 -10.923 8.790 1.00 0.00 C ATOM 519 O PRO A 32 -3.439 -9.863 9.037 1.00 0.00 O ATOM 520 CB PRO A 32 -2.527 -13.118 10.029 1.00 0.00 C ATOM 521 CG PRO A 32 -2.007 -14.181 9.075 1.00 0.00 C ATOM 522 CD PRO A 32 -2.891 -14.171 7.839 1.00 0.00 C ATOM 0 HA PRO A 32 -4.352 -11.982 9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.709 -12.521 10.432 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.039 -13.572 10.878 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.971 -13.977 8.805 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.026 -15.162 9.550 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.303 -14.021 6.933 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.420 -15.117 7.723 1.00 0.00 H new ATOM 530 N ILE A 33 -1.705 -11.017 8.156 1.00 0.00 N ATOM 531 CA ILE A 33 -1.006 -9.830 7.694 1.00 0.00 C ATOM 532 C ILE A 33 -2.019 -8.837 7.121 1.00 0.00 C ATOM 533 O ILE A 33 -1.890 -7.630 7.318 1.00 0.00 O ATOM 534 CB ILE A 33 0.105 -10.210 6.713 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.240 -10.947 7.428 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.608 -8.982 5.952 1.00 0.00 C ATOM 537 CD1 ILE A 33 1.967 -10.019 8.403 1.00 0.00 C ATOM 0 H ILE A 33 -1.232 -11.897 7.952 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.508 -9.333 8.527 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.310 -10.897 5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.838 -11.805 7.968 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.946 -11.334 6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.397 -9.280 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.215 -8.538 5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.001 -8.252 6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.769 -10.567 8.898 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.388 -9.175 7.857 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.263 -9.653 9.150 1.00 0.00 H new ATOM 549 N GLY A 34 -3.005 -9.383 6.424 1.00 0.00 N ATOM 550 CA GLY A 34 -4.040 -8.560 5.821 1.00 0.00 C ATOM 551 C GLY A 34 -4.989 -8.006 6.886 1.00 0.00 C ATOM 552 O GLY A 34 -5.256 -6.806 6.919 1.00 0.00 O ATOM 0 H GLY A 34 -3.109 -10.385 6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.582 -7.737 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.603 -9.150 5.098 1.00 0.00 H new ATOM 556 N LEU A 35 -5.471 -8.906 7.729 1.00 0.00 N ATOM 557 CA LEU A 35 -6.385 -8.522 8.792 1.00 0.00 C ATOM 558 C LEU A 35 -5.831 -7.293 9.515 1.00 0.00 C ATOM 559 O LEU A 35 -6.499 -6.263 9.598 1.00 0.00 O ATOM 560 CB LEU A 35 -6.658 -9.709 9.718 1.00 0.00 C ATOM 561 CG LEU A 35 -7.904 -9.599 10.599 1.00 0.00 C ATOM 562 CD1 LEU A 35 -9.101 -10.292 9.946 1.00 0.00 C ATOM 563 CD2 LEU A 35 -7.630 -10.134 12.006 1.00 0.00 C ATOM 0 H LEU A 35 -5.246 -9.900 7.698 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.353 -8.240 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.747 -10.608 9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.791 -9.847 10.364 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.158 -8.544 10.699 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.973 -10.199 10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.312 -9.825 8.984 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.873 -11.347 9.795 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.532 -10.044 12.611 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.336 -11.182 11.946 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.826 -9.558 12.464 1.00 0.00 H new ATOM 575 N GLY A 36 -4.615 -7.440 10.020 1.00 0.00 N ATOM 576 CA GLY A 36 -3.964 -6.355 10.733 1.00 0.00 C ATOM 577 C GLY A 36 -3.738 -5.153 9.814 1.00 0.00 C ATOM 578 O GLY A 36 -4.321 -4.090 10.022 1.00 0.00 O ATOM 0 H GLY A 36 -4.063 -8.295 9.949 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.575 -6.056 11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.009 -6.698 11.131 1.00 0.00 H new ATOM 582 N GLY A 37 -2.891 -5.361 8.817 1.00 0.00 N ATOM 583 CA GLY A 37 -2.581 -4.308 7.866 1.00 0.00 C ATOM 584 C GLY A 37 -3.841 -3.530 7.479 1.00 0.00 C ATOM 585 O GLY A 37 -3.764 -2.355 7.123 1.00 0.00 O ATOM 0 H GLY A 37 -2.410 -6.244 8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.847 -3.627 8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.128 -4.741 6.974 1.00 0.00 H new ATOM 589 N CYS A 38 -4.971 -4.217 7.563 1.00 0.00 N ATOM 590 CA CYS A 38 -6.245 -3.605 7.226 1.00 0.00 C ATOM 591 C CYS A 38 -6.655 -2.685 8.378 1.00 0.00 C ATOM 592 O CYS A 38 -6.794 -1.477 8.192 1.00 0.00 O ATOM 593 CB CYS A 38 -7.316 -4.656 6.927 1.00 0.00 C ATOM 594 SG CYS A 38 -8.717 -3.887 6.037 1.00 0.00 S ATOM 0 H CYS A 38 -5.031 -5.191 7.859 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.140 -3.019 6.313 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.890 -5.460 6.326 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.667 -5.104 7.857 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.619 -4.789 5.786 1.00 0.00 H new ATOM 600 N LEU A 39 -6.837 -3.291 9.542 1.00 0.00 N ATOM 601 CA LEU A 39 -7.228 -2.541 10.723 1.00 0.00 C ATOM 602 C LEU A 39 -6.471 -1.212 10.752 1.00 0.00 C ATOM 603 O LEU A 39 -7.041 -0.175 11.089 1.00 0.00 O ATOM 604 CB LEU A 39 -7.035 -3.387 11.983 1.00 0.00 C ATOM 605 CG LEU A 39 -8.232 -3.459 12.933 1.00 0.00 C ATOM 606 CD1 LEU A 39 -8.581 -2.073 13.481 1.00 0.00 C ATOM 607 CD2 LEU A 39 -9.430 -4.126 12.255 1.00 0.00 C ATOM 0 H LEU A 39 -6.721 -4.293 9.692 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.291 -2.302 10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.776 -4.401 11.679 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.182 -2.992 12.535 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.956 -4.082 13.784 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.435 -2.152 14.154 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.726 -1.671 14.025 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.830 -1.407 12.655 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.267 -4.165 12.952 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.717 -3.551 11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.161 -5.139 11.955 1.00 0.00 H new ATOM 619 N VAL A 40 -5.197 -1.285 10.394 1.00 0.00 N ATOM 620 CA VAL A 40 -4.356 -0.101 10.375 1.00 0.00 C ATOM 621 C VAL A 40 -4.790 0.810 9.225 1.00 0.00 C ATOM 622 O VAL A 40 -5.031 1.999 9.426 1.00 0.00 O ATOM 623 CB VAL A 40 -2.883 -0.507 10.292 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.989 0.715 10.068 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.455 -1.276 11.544 1.00 0.00 C ATOM 0 H VAL A 40 -4.727 -2.146 10.115 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.473 0.465 11.299 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.766 -1.170 9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.947 0.399 10.013 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.269 1.205 9.136 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.113 1.413 10.896 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.404 -1.553 11.459 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.595 -0.647 12.423 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.061 -2.177 11.642 1.00 0.00 H new ATOM 635 N VAL A 41 -4.878 0.216 8.043 1.00 0.00 N ATOM 636 CA VAL A 41 -5.279 0.959 6.861 1.00 0.00 C ATOM 637 C VAL A 41 -6.600 1.679 7.140 1.00 0.00 C ATOM 638 O VAL A 41 -6.633 2.903 7.248 1.00 0.00 O ATOM 639 CB VAL A 41 -5.352 0.021 5.654 1.00 0.00 C ATOM 640 CG1 VAL A 41 -6.074 0.691 4.482 1.00 0.00 C ATOM 641 CG2 VAL A 41 -3.957 -0.451 5.241 1.00 0.00 C ATOM 0 H VAL A 41 -4.678 -0.771 7.879 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.539 1.721 6.619 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.929 -0.856 5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.112 0.003 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.088 0.954 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.536 1.593 4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.038 -1.116 4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.345 0.411 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.493 -0.985 6.070 1.00 0.00 H new ATOM 651 N ALA A 42 -7.657 0.887 7.248 1.00 0.00 N ATOM 652 CA ALA A 42 -8.977 1.434 7.512 1.00 0.00 C ATOM 653 C ALA A 42 -8.881 2.467 8.636 1.00 0.00 C ATOM 654 O ALA A 42 -9.401 3.575 8.512 1.00 0.00 O ATOM 655 CB ALA A 42 -9.943 0.295 7.847 1.00 0.00 C ATOM 0 H ALA A 42 -7.626 -0.129 7.158 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.366 1.943 6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.934 0.704 8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.997 -0.395 7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.587 -0.236 8.730 1.00 0.00 H new ATOM 661 N ALA A 43 -8.212 2.068 9.708 1.00 0.00 N ATOM 662 CA ALA A 43 -8.042 2.945 10.853 1.00 0.00 C ATOM 663 C ALA A 43 -7.604 4.329 10.369 1.00 0.00 C ATOM 664 O ALA A 43 -8.222 5.336 10.715 1.00 0.00 O ATOM 665 CB ALA A 43 -7.038 2.325 11.827 1.00 0.00 C ATOM 0 H ALA A 43 -7.781 1.149 9.807 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.984 3.064 11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.911 2.983 12.686 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.408 1.357 12.164 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.079 2.193 11.326 1.00 0.00 H new ATOM 671 N TYR A 44 -6.543 4.336 9.576 1.00 0.00 N ATOM 672 CA TYR A 44 -6.016 5.579 9.041 1.00 0.00 C ATOM 673 C TYR A 44 -7.003 6.215 8.059 1.00 0.00 C ATOM 674 O TYR A 44 -7.059 7.438 7.934 1.00 0.00 O ATOM 675 CB TYR A 44 -4.736 5.207 8.289 1.00 0.00 C ATOM 676 CG TYR A 44 -4.145 6.350 7.463 1.00 0.00 C ATOM 677 CD1 TYR A 44 -3.646 7.471 8.094 1.00 0.00 C ATOM 678 CD2 TYR A 44 -4.110 6.261 6.086 1.00 0.00 C ATOM 679 CE1 TYR A 44 -3.088 8.548 7.317 1.00 0.00 C ATOM 680 CE2 TYR A 44 -3.553 7.337 5.308 1.00 0.00 C ATOM 681 CZ TYR A 44 -3.069 8.427 5.962 1.00 0.00 C ATOM 682 OH TYR A 44 -2.543 9.444 5.227 1.00 0.00 O ATOM 0 H TYR A 44 -6.034 3.499 9.291 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.836 6.296 9.842 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.990 4.869 9.008 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.946 4.366 7.628 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.674 7.541 9.171 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.501 5.384 5.592 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.694 9.431 7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.520 7.280 4.230 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.595 9.220 4.274 1.00 0.00 H new ATOM 692 N ARG A 45 -7.756 5.357 7.387 1.00 0.00 N ATOM 693 CA ARG A 45 -8.737 5.820 6.420 1.00 0.00 C ATOM 694 C ARG A 45 -9.779 6.707 7.105 1.00 0.00 C ATOM 695 O ARG A 45 -9.930 7.877 6.754 1.00 0.00 O ATOM 696 CB ARG A 45 -9.444 4.642 5.747 1.00 0.00 C ATOM 697 CG ARG A 45 -10.162 5.090 4.472 1.00 0.00 C ATOM 698 CD ARG A 45 -9.267 4.904 3.245 1.00 0.00 C ATOM 699 NE ARG A 45 -9.572 5.942 2.234 1.00 0.00 N ATOM 700 CZ ARG A 45 -8.934 6.055 1.050 1.00 0.00 C ATOM 701 NH1 ARG A 45 -7.950 5.194 0.716 1.00 0.00 N ATOM 702 NH2 ARG A 45 -9.288 7.021 0.222 1.00 0.00 N ATOM 0 H ARG A 45 -7.707 4.344 7.493 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.208 6.395 5.660 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.717 3.866 5.506 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.163 4.202 6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.081 4.517 4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.450 6.138 4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.219 4.966 3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.422 3.913 2.819 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.310 6.613 2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.683 4.450 1.361 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.474 5.287 -0.181 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.033 7.667 0.481 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.816 7.121 -0.677 1.00 0.00 H new ATOM 716 N ILE A 46 -10.470 6.118 8.069 1.00 0.00 N ATOM 717 CA ILE A 46 -11.493 6.840 8.805 1.00 0.00 C ATOM 718 C ILE A 46 -10.866 8.066 9.472 1.00 0.00 C ATOM 719 O ILE A 46 -11.351 9.184 9.304 1.00 0.00 O ATOM 720 CB ILE A 46 -12.209 5.907 9.784 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.973 4.811 9.038 1.00 0.00 C ATOM 722 CG2 ILE A 46 -13.116 6.696 10.730 1.00 0.00 C ATOM 723 CD1 ILE A 46 -12.654 3.430 9.614 1.00 0.00 C ATOM 0 H ILE A 46 -10.341 5.148 8.358 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.264 7.205 8.126 1.00 0.00 H new ATOM 0 HB ILE A 46 -11.456 5.413 10.398 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.045 4.999 9.107 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.712 4.837 7.980 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.613 6.009 11.415 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.517 7.407 11.300 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.865 7.235 10.150 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.210 2.670 9.066 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.586 3.235 9.522 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.939 3.400 10.666 1.00 0.00 H new ATOM 735 N TYR A 47 -9.797 7.815 10.213 1.00 0.00 N ATOM 736 CA TYR A 47 -9.098 8.884 10.905 1.00 0.00 C ATOM 737 C TYR A 47 -8.907 10.096 9.991 1.00 0.00 C ATOM 738 O TYR A 47 -9.269 11.215 10.353 1.00 0.00 O ATOM 739 CB TYR A 47 -7.726 8.320 11.278 1.00 0.00 C ATOM 740 CG TYR A 47 -6.666 9.389 11.548 1.00 0.00 C ATOM 741 CD1 TYR A 47 -5.889 9.868 10.513 1.00 0.00 C ATOM 742 CD2 TYR A 47 -6.486 9.875 12.827 1.00 0.00 C ATOM 743 CE1 TYR A 47 -4.891 10.875 10.767 1.00 0.00 C ATOM 744 CE2 TYR A 47 -5.488 10.881 13.082 1.00 0.00 C ATOM 745 CZ TYR A 47 -4.740 11.331 12.040 1.00 0.00 C ATOM 746 OH TYR A 47 -3.797 12.282 12.280 1.00 0.00 O ATOM 0 H TYR A 47 -9.398 6.886 10.349 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.665 9.212 11.776 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.831 7.695 12.165 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.379 7.674 10.472 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.029 9.488 9.512 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.094 9.501 13.637 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.277 11.259 9.966 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.337 11.269 14.078 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.801 12.514 13.232 1.00 0.00 H new ATOM 756 N ARG A 48 -8.338 9.833 8.824 1.00 0.00 N ATOM 757 CA ARG A 48 -8.094 10.888 7.855 1.00 0.00 C ATOM 758 C ARG A 48 -9.410 11.566 7.467 1.00 0.00 C ATOM 759 O ARG A 48 -9.543 12.783 7.584 1.00 0.00 O ATOM 760 CB ARG A 48 -7.422 10.335 6.596 1.00 0.00 C ATOM 761 CG ARG A 48 -6.449 11.355 6.002 1.00 0.00 C ATOM 762 CD ARG A 48 -7.135 12.212 4.936 1.00 0.00 C ATOM 763 NE ARG A 48 -7.508 13.526 5.506 1.00 0.00 N ATOM 764 CZ ARG A 48 -6.623 14.504 5.796 1.00 0.00 C ATOM 765 NH1 ARG A 48 -5.304 14.322 5.572 1.00 0.00 N ATOM 766 NH2 ARG A 48 -7.066 15.639 6.302 1.00 0.00 N ATOM 0 H ARG A 48 -8.039 8.904 8.527 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.428 11.617 8.318 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.888 9.416 6.838 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.181 10.078 5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.060 11.996 6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.596 10.837 5.564 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.468 12.352 4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.024 11.702 4.564 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.495 13.704 5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.970 13.441 5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.642 15.065 5.794 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.064 15.768 6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.411 16.388 6.527 1.00 0.00 H new ATOM 780 N LEU A 49 -10.348 10.749 7.013 1.00 0.00 N ATOM 781 CA LEU A 49 -11.649 11.255 6.607 1.00 0.00 C ATOM 782 C LEU A 49 -12.113 12.317 7.606 1.00 0.00 C ATOM 783 O LEU A 49 -12.439 13.438 7.218 1.00 0.00 O ATOM 784 CB LEU A 49 -12.640 10.103 6.429 1.00 0.00 C ATOM 785 CG LEU A 49 -13.745 10.323 5.394 1.00 0.00 C ATOM 786 CD1 LEU A 49 -14.536 9.036 5.155 1.00 0.00 C ATOM 787 CD2 LEU A 49 -14.652 11.486 5.799 1.00 0.00 C ATOM 0 H LEU A 49 -10.234 9.740 6.917 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.582 11.741 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.082 9.209 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.107 9.900 7.393 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.277 10.594 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.315 9.220 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.865 8.259 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.993 8.711 6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.429 11.621 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.114 11.269 6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.061 12.398 5.878 1.00 0.00 H new ATOM 799 N ARG A 50 -12.127 11.927 8.872 1.00 0.00 N ATOM 800 CA ARG A 50 -12.545 12.831 9.929 1.00 0.00 C ATOM 801 C ARG A 50 -11.434 13.837 10.238 1.00 0.00 C ATOM 802 O ARG A 50 -10.287 13.452 10.457 1.00 0.00 O ATOM 803 CB ARG A 50 -12.896 12.063 11.205 1.00 0.00 C ATOM 804 CG ARG A 50 -14.260 12.495 11.747 1.00 0.00 C ATOM 805 CD ARG A 50 -14.292 14.002 12.011 1.00 0.00 C ATOM 806 NE ARG A 50 -15.450 14.340 12.869 1.00 0.00 N ATOM 807 CZ ARG A 50 -15.716 15.583 13.325 1.00 0.00 C ATOM 808 NH1 ARG A 50 -14.907 16.617 13.009 1.00 0.00 N ATOM 809 NH2 ARG A 50 -16.778 15.772 14.085 1.00 0.00 N ATOM 0 H ARG A 50 -11.855 10.996 9.189 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.432 13.359 9.581 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.905 10.993 10.999 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.129 12.236 11.960 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.040 12.231 11.033 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.476 11.956 12.669 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.367 14.315 12.495 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.357 14.544 11.067 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.086 13.588 13.132 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.088 16.462 12.422 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.115 17.553 13.358 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.384 14.986 14.320 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.993 16.705 14.438 1.00 0.00 H new ATOM 823 N SER A 51 -11.814 15.106 10.245 1.00 0.00 N ATOM 824 CA SER A 51 -10.865 16.170 10.523 1.00 0.00 C ATOM 825 C SER A 51 -11.188 16.822 11.869 1.00 0.00 C ATOM 826 O SER A 51 -12.281 16.641 12.403 1.00 0.00 O ATOM 827 CB SER A 51 -10.872 17.220 9.410 1.00 0.00 C ATOM 828 OG SER A 51 -9.577 17.410 8.846 1.00 0.00 O ATOM 0 H SER A 51 -12.767 15.421 10.062 1.00 0.00 H new ATOM 0 HA SER A 51 -9.867 15.734 10.568 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.567 16.914 8.628 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.237 18.167 9.808 1.00 0.00 H new ATOM 0 HG SER A 51 -9.624 18.086 8.138 1.00 0.00 H new ATOM 834 N ARG A 52 -10.217 17.566 12.378 1.00 0.00 N ATOM 835 CA ARG A 52 -10.385 18.245 13.652 1.00 0.00 C ATOM 836 C ARG A 52 -9.793 19.654 13.584 1.00 0.00 C ATOM 837 O ARG A 52 -10.522 20.642 13.661 1.00 0.00 O ATOM 838 CB ARG A 52 -9.707 17.469 14.783 1.00 0.00 C ATOM 839 CG ARG A 52 -10.615 16.351 15.302 1.00 0.00 C ATOM 840 CD ARG A 52 -11.677 16.905 16.254 1.00 0.00 C ATOM 841 NE ARG A 52 -12.844 17.390 15.483 1.00 0.00 N ATOM 842 CZ ARG A 52 -13.751 18.270 15.957 1.00 0.00 C ATOM 843 NH1 ARG A 52 -13.633 18.770 17.205 1.00 0.00 N ATOM 844 NH2 ARG A 52 -14.755 18.635 15.181 1.00 0.00 N ATOM 0 H ARG A 52 -9.312 17.714 11.932 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.454 18.305 13.857 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.769 17.044 14.426 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.459 18.149 15.598 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.099 15.851 14.463 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.016 15.600 15.817 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.990 16.130 16.954 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.258 17.719 16.846 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.971 17.037 14.534 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.854 18.483 17.798 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.323 19.435 17.555 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.836 18.253 14.239 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.449 19.299 15.524 1.00 0.00 H new ATOM 858 N GLY A 53 -8.477 19.703 13.440 1.00 0.00 N ATOM 859 CA GLY A 53 -7.779 20.975 13.361 1.00 0.00 C ATOM 860 C GLY A 53 -6.354 20.786 12.835 1.00 0.00 C ATOM 861 O GLY A 53 -5.925 19.661 12.584 1.00 0.00 O ATOM 0 H GLY A 53 -7.875 18.882 13.376 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.325 21.654 12.706 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.748 21.439 14.347 1.00 0.00 H new ATOM 865 N SER A 54 -5.661 21.905 12.684 1.00 0.00 N ATOM 866 CA SER A 54 -4.294 21.878 12.193 1.00 0.00 C ATOM 867 C SER A 54 -3.414 22.796 13.044 1.00 0.00 C ATOM 868 O SER A 54 -3.846 23.873 13.451 1.00 0.00 O ATOM 869 CB SER A 54 -4.228 22.294 10.722 1.00 0.00 C ATOM 870 OG SER A 54 -4.997 21.431 9.889 1.00 0.00 O ATOM 0 H SER A 54 -6.021 22.836 12.893 1.00 0.00 H new ATOM 0 HA SER A 54 -3.924 20.856 12.270 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.591 23.317 10.618 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.190 22.288 10.390 1.00 0.00 H new ATOM 0 HG SER A 54 -4.931 21.730 8.958 1.00 0.00 H new ATOM 876 N THR A 55 -2.195 22.336 13.286 1.00 0.00 N ATOM 877 CA THR A 55 -1.250 23.103 14.081 1.00 0.00 C ATOM 878 C THR A 55 -0.329 23.919 13.173 1.00 0.00 C ATOM 879 O THR A 55 -0.052 25.085 13.450 1.00 0.00 O ATOM 880 CB THR A 55 -0.500 22.129 14.992 1.00 0.00 C ATOM 881 OG1 THR A 55 0.444 21.502 14.127 1.00 0.00 O ATOM 882 CG2 THR A 55 -1.385 20.979 15.475 1.00 0.00 C ATOM 0 H THR A 55 -1.840 21.442 12.946 1.00 0.00 H new ATOM 0 HA THR A 55 -1.761 23.831 14.711 1.00 0.00 H new ATOM 0 HB THR A 55 -0.105 22.668 15.853 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.975 20.855 14.636 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.804 20.318 16.118 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.229 21.380 16.036 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.754 20.418 14.616 1.00 0.00 H new ATOM 890 N LYS A 56 0.122 23.274 12.107 1.00 0.00 N ATOM 891 CA LYS A 56 1.006 23.926 11.156 1.00 0.00 C ATOM 892 C LYS A 56 1.094 23.080 9.885 1.00 0.00 C ATOM 893 O LYS A 56 1.906 22.159 9.802 1.00 0.00 O ATOM 894 CB LYS A 56 2.365 24.213 11.799 1.00 0.00 C ATOM 895 CG LYS A 56 3.192 25.164 10.931 1.00 0.00 C ATOM 896 CD LYS A 56 3.646 26.384 11.734 1.00 0.00 C ATOM 897 CE LYS A 56 4.764 27.134 11.007 1.00 0.00 C ATOM 898 NZ LYS A 56 6.048 26.410 11.142 1.00 0.00 N ATOM 0 H LYS A 56 -0.108 22.306 11.881 1.00 0.00 H new ATOM 0 HA LYS A 56 0.604 24.897 10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.219 24.650 12.787 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.909 23.279 11.941 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.062 24.639 10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.601 25.487 10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.800 27.052 11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.995 26.068 12.717 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.511 27.243 9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.862 28.139 11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.828 27.028 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.188 26.134 12.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.031 25.558 10.545 1.00 0.00 H new ATOM 912 N MET A 57 0.247 23.422 8.925 1.00 0.00 N ATOM 913 CA MET A 57 0.219 22.705 7.661 1.00 0.00 C ATOM 914 C MET A 57 0.071 21.199 7.888 1.00 0.00 C ATOM 915 O MET A 57 0.827 20.406 7.329 1.00 0.00 O ATOM 916 CB MET A 57 1.510 22.981 6.888 1.00 0.00 C ATOM 917 CG MET A 57 1.250 23.016 5.381 1.00 0.00 C ATOM 918 SD MET A 57 1.988 21.589 4.601 1.00 0.00 S ATOM 919 CE MET A 57 1.381 21.798 2.936 1.00 0.00 C ATOM 0 H MET A 57 -0.425 24.186 8.997 1.00 0.00 H new ATOM 0 HA MET A 57 -0.640 23.053 7.087 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.934 23.932 7.210 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.246 22.210 7.116 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.177 23.032 5.189 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.664 23.929 4.953 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.750 20.986 2.310 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.291 21.785 2.942 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.731 22.751 2.538 1.00 0.00 H new ATOM 929 N SER A 58 -0.907 20.850 8.711 1.00 0.00 N ATOM 930 CA SER A 58 -1.163 19.453 9.019 1.00 0.00 C ATOM 931 C SER A 58 0.005 18.870 9.816 1.00 0.00 C ATOM 932 O SER A 58 0.971 19.572 10.111 1.00 0.00 O ATOM 933 CB SER A 58 -1.393 18.641 7.742 1.00 0.00 C ATOM 934 OG SER A 58 -0.167 18.228 7.145 1.00 0.00 O ATOM 0 H SER A 58 -1.532 21.510 9.174 1.00 0.00 H new ATOM 0 HA SER A 58 -2.069 19.396 9.622 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.997 17.764 7.974 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.960 19.239 7.029 1.00 0.00 H new ATOM 0 HG SER A 58 0.365 19.017 6.912 1.00 0.00 H new ATOM 940 N ILE A 59 -0.122 17.593 10.143 1.00 0.00 N ATOM 941 CA ILE A 59 0.911 16.908 10.900 1.00 0.00 C ATOM 942 C ILE A 59 1.055 17.569 12.272 1.00 0.00 C ATOM 943 O ILE A 59 0.780 18.758 12.424 1.00 0.00 O ATOM 944 CB ILE A 59 2.216 16.857 10.102 1.00 0.00 C ATOM 945 CG1 ILE A 59 2.042 16.044 8.818 1.00 0.00 C ATOM 946 CG2 ILE A 59 3.365 16.330 10.964 1.00 0.00 C ATOM 947 CD1 ILE A 59 2.923 16.598 7.696 1.00 0.00 C ATOM 0 H ILE A 59 -0.925 17.014 9.897 1.00 0.00 H new ATOM 0 HA ILE A 59 0.630 15.869 11.074 1.00 0.00 H new ATOM 0 HB ILE A 59 2.476 17.873 9.806 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.298 15.001 9.006 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.997 16.065 8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.281 16.304 10.373 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.506 16.986 11.823 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.128 15.324 11.311 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.781 16.003 6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.647 17.633 7.495 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.969 16.553 7.999 1.00 0.00 H new ATOM 959 N HIS A 60 1.485 16.769 13.237 1.00 0.00 N ATOM 960 CA HIS A 60 1.668 17.261 14.592 1.00 0.00 C ATOM 961 C HIS A 60 2.265 16.155 15.464 1.00 0.00 C ATOM 962 O HIS A 60 3.307 16.346 16.089 1.00 0.00 O ATOM 963 CB HIS A 60 0.356 17.814 15.151 1.00 0.00 C ATOM 964 CG HIS A 60 -0.747 16.788 15.258 1.00 0.00 C ATOM 965 ND1 HIS A 60 -1.289 16.152 14.154 1.00 0.00 N ATOM 966 CD2 HIS A 60 -1.403 16.294 16.347 1.00 0.00 C ATOM 967 CE1 HIS A 60 -2.227 15.316 14.572 1.00 0.00 C ATOM 968 NE2 HIS A 60 -2.297 15.406 15.932 1.00 0.00 N ATOM 0 H HIS A 60 1.712 15.783 13.107 1.00 0.00 H new ATOM 0 HA HIS A 60 2.373 18.092 14.588 1.00 0.00 H new ATOM 0 HB2 HIS A 60 0.543 18.236 16.139 1.00 0.00 H new ATOM 0 HB3 HIS A 60 0.017 18.631 14.514 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.225 16.578 17.374 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.831 14.675 13.946 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.932 14.878 16.531 1.00 0.00 H new ATOM 976 N LEU A 61 1.578 15.022 15.478 1.00 0.00 N ATOM 977 CA LEU A 61 2.028 13.885 16.263 1.00 0.00 C ATOM 978 C LEU A 61 3.537 13.712 16.085 1.00 0.00 C ATOM 979 O LEU A 61 4.313 14.037 16.982 1.00 0.00 O ATOM 980 CB LEU A 61 1.219 12.635 15.908 1.00 0.00 C ATOM 981 CG LEU A 61 1.021 11.621 17.036 1.00 0.00 C ATOM 982 CD1 LEU A 61 -0.466 11.410 17.329 1.00 0.00 C ATOM 983 CD2 LEU A 61 1.736 10.305 16.722 1.00 0.00 C ATOM 0 H LEU A 61 0.714 14.867 14.959 1.00 0.00 H new ATOM 0 HA LEU A 61 1.851 14.061 17.324 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.238 12.950 15.553 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.712 12.132 15.076 1.00 0.00 H new ATOM 0 HG LEU A 61 1.473 12.025 17.942 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.579 10.685 18.135 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.916 12.357 17.628 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.964 11.038 16.434 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.579 9.602 17.540 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.335 9.884 15.800 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.803 10.490 16.602 1.00 0.00 H new ATOM 995 N ILE A 62 3.908 13.199 14.921 1.00 0.00 N ATOM 996 CA ILE A 62 5.311 12.979 14.613 1.00 0.00 C ATOM 997 C ILE A 62 5.747 13.951 13.516 1.00 0.00 C ATOM 998 O ILE A 62 4.915 14.464 12.770 1.00 0.00 O ATOM 999 CB ILE A 62 5.560 11.509 14.267 1.00 0.00 C ATOM 1000 CG1 ILE A 62 5.038 10.589 15.373 1.00 0.00 C ATOM 1001 CG2 ILE A 62 7.038 11.259 13.965 1.00 0.00 C ATOM 1002 CD1 ILE A 62 5.566 11.023 16.742 1.00 0.00 C ATOM 0 H ILE A 62 3.261 12.929 14.180 1.00 0.00 H new ATOM 0 HA ILE A 62 5.929 13.186 15.487 1.00 0.00 H new ATOM 0 HB ILE A 62 5.002 11.273 13.361 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.948 10.603 15.378 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.342 9.562 15.171 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.187 10.207 13.722 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.345 11.874 13.119 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.637 11.518 14.838 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.180 10.353 17.510 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.655 10.984 16.741 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.239 12.041 16.952 1.00 0.00 H new ATOM 1014 N HIS A 63 7.052 14.175 13.452 1.00 0.00 N ATOM 1015 CA HIS A 63 7.608 15.077 12.458 1.00 0.00 C ATOM 1016 C HIS A 63 8.320 14.268 11.372 1.00 0.00 C ATOM 1017 O HIS A 63 9.543 14.323 11.253 1.00 0.00 O ATOM 1018 CB HIS A 63 8.519 16.116 13.116 1.00 0.00 C ATOM 1019 CG HIS A 63 7.825 17.414 13.455 1.00 0.00 C ATOM 1020 ND1 HIS A 63 7.858 17.973 14.720 1.00 0.00 N ATOM 1021 CD2 HIS A 63 7.081 18.256 12.681 1.00 0.00 C ATOM 1022 CE1 HIS A 63 7.162 19.100 14.698 1.00 0.00 C ATOM 1023 NE2 HIS A 63 6.681 19.273 13.433 1.00 0.00 N ATOM 0 H HIS A 63 7.740 13.747 14.072 1.00 0.00 H new ATOM 0 HA HIS A 63 6.804 15.635 11.979 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.938 15.691 14.028 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.355 16.326 12.449 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.856 18.118 11.634 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.003 19.765 15.534 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.108 20.056 13.117 1.00 0.00 H new ATOM 1031 N THR A 64 7.524 13.536 10.607 1.00 0.00 N ATOM 1032 CA THR A 64 8.062 12.716 9.535 1.00 0.00 C ATOM 1033 C THR A 64 7.027 12.547 8.421 1.00 0.00 C ATOM 1034 O THR A 64 6.008 13.236 8.406 1.00 0.00 O ATOM 1035 CB THR A 64 8.526 11.390 10.141 1.00 0.00 C ATOM 1036 OG1 THR A 64 7.376 10.901 10.827 1.00 0.00 O ATOM 1037 CG2 THR A 64 9.566 11.582 11.246 1.00 0.00 C ATOM 0 H THR A 64 6.510 13.494 10.708 1.00 0.00 H new ATOM 0 HA THR A 64 8.922 13.193 9.066 1.00 0.00 H new ATOM 0 HB THR A 64 8.944 10.759 9.356 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.587 10.042 11.249 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.861 10.610 11.641 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.441 12.088 10.838 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.139 12.185 12.047 1.00 0.00 H new ATOM 1045 N ARG A 65 7.323 11.625 7.517 1.00 0.00 N ATOM 1046 CA ARG A 65 6.430 11.357 6.402 1.00 0.00 C ATOM 1047 C ARG A 65 5.422 10.270 6.780 1.00 0.00 C ATOM 1048 O ARG A 65 5.306 9.259 6.088 1.00 0.00 O ATOM 1049 CB ARG A 65 7.213 10.910 5.165 1.00 0.00 C ATOM 1050 CG ARG A 65 7.655 12.114 4.331 1.00 0.00 C ATOM 1051 CD ARG A 65 8.547 11.678 3.168 1.00 0.00 C ATOM 1052 NE ARG A 65 8.515 12.697 2.095 1.00 0.00 N ATOM 1053 CZ ARG A 65 8.864 12.457 0.813 1.00 0.00 C ATOM 1054 NH1 ARG A 65 9.276 11.229 0.433 1.00 0.00 N ATOM 1055 NH2 ARG A 65 8.797 13.442 -0.063 1.00 0.00 N ATOM 0 H ARG A 65 8.168 11.054 7.534 1.00 0.00 H new ATOM 0 HA ARG A 65 5.902 12.282 6.169 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.087 10.335 5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.594 10.250 4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.779 12.636 3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.194 12.820 4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.570 11.537 3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.208 10.718 2.779 1.00 0.00 H new ATOM 0 HE ARG A 65 8.210 13.639 2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.326 10.474 1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.538 11.057 -0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.485 14.367 0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.057 13.278 -1.036 1.00 0.00 H new ATOM 1069 N VAL A 66 4.719 10.514 7.875 1.00 0.00 N ATOM 1070 CA VAL A 66 3.724 9.569 8.353 1.00 0.00 C ATOM 1071 C VAL A 66 2.632 9.405 7.294 1.00 0.00 C ATOM 1072 O VAL A 66 2.445 8.317 6.752 1.00 0.00 O ATOM 1073 CB VAL A 66 3.179 10.023 9.709 1.00 0.00 C ATOM 1074 CG1 VAL A 66 1.979 9.172 10.130 1.00 0.00 C ATOM 1075 CG2 VAL A 66 4.274 9.994 10.777 1.00 0.00 C ATOM 0 H VAL A 66 4.818 11.353 8.446 1.00 0.00 H new ATOM 0 HA VAL A 66 4.174 8.589 8.511 1.00 0.00 H new ATOM 0 HB VAL A 66 2.839 11.053 9.606 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.611 9.515 11.097 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.188 9.266 9.386 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.283 8.128 10.207 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.861 10.321 11.731 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.658 8.979 10.877 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.085 10.661 10.485 1.00 0.00 H new ATOM 1085 N ALA A 67 1.939 10.504 7.030 1.00 0.00 N ATOM 1086 CA ALA A 67 0.870 10.496 6.046 1.00 0.00 C ATOM 1087 C ALA A 67 1.449 10.145 4.674 1.00 0.00 C ATOM 1088 O ALA A 67 0.881 9.333 3.946 1.00 0.00 O ATOM 1089 CB ALA A 67 0.162 11.852 6.050 1.00 0.00 C ATOM 0 H ALA A 67 2.097 11.405 7.481 1.00 0.00 H new ATOM 0 HA ALA A 67 0.126 9.739 6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.640 11.846 5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.256 12.041 7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.877 12.637 5.802 1.00 0.00 H new ATOM 1095 N ALA A 68 2.573 10.773 4.363 1.00 0.00 N ATOM 1096 CA ALA A 68 3.235 10.538 3.091 1.00 0.00 C ATOM 1097 C ALA A 68 3.378 9.031 2.867 1.00 0.00 C ATOM 1098 O ALA A 68 2.747 8.470 1.973 1.00 0.00 O ATOM 1099 CB ALA A 68 4.584 11.260 3.076 1.00 0.00 C ATOM 0 H ALA A 68 3.042 11.445 4.970 1.00 0.00 H new ATOM 0 HA ALA A 68 2.642 10.939 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.080 11.084 2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.426 12.330 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.208 10.881 3.885 1.00 0.00 H new ATOM 1105 N GLN A 69 4.212 8.418 3.695 1.00 0.00 N ATOM 1106 CA GLN A 69 4.445 6.987 3.598 1.00 0.00 C ATOM 1107 C GLN A 69 3.115 6.237 3.508 1.00 0.00 C ATOM 1108 O GLN A 69 2.824 5.601 2.496 1.00 0.00 O ATOM 1109 CB GLN A 69 5.278 6.487 4.780 1.00 0.00 C ATOM 1110 CG GLN A 69 6.773 6.530 4.455 1.00 0.00 C ATOM 1111 CD GLN A 69 7.607 6.061 5.649 1.00 0.00 C ATOM 1112 OE1 GLN A 69 7.103 5.508 6.613 1.00 0.00 O ATOM 1113 NE2 GLN A 69 8.908 6.311 5.532 1.00 0.00 N ATOM 0 H GLN A 69 4.734 8.886 4.436 1.00 0.00 H new ATOM 0 HA GLN A 69 5.011 6.791 2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.075 7.101 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.986 5.467 5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.980 5.897 3.592 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.061 7.545 4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.265 6.778 4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.549 6.036 6.276 1.00 0.00 H new ATOM 1122 N ALA A 70 2.343 6.336 4.580 1.00 0.00 N ATOM 1123 CA ALA A 70 1.050 5.675 4.635 1.00 0.00 C ATOM 1124 C ALA A 70 0.354 5.812 3.279 1.00 0.00 C ATOM 1125 O ALA A 70 -0.386 4.922 2.864 1.00 0.00 O ATOM 1126 CB ALA A 70 0.222 6.266 5.778 1.00 0.00 C ATOM 0 H ALA A 70 2.588 6.864 5.418 1.00 0.00 H new ATOM 0 HA ALA A 70 1.171 4.611 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.748 5.770 5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.746 6.117 6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.077 7.333 5.608 1.00 0.00 H new ATOM 1132 N CYS A 71 0.616 6.935 2.626 1.00 0.00 N ATOM 1133 CA CYS A 71 0.024 7.200 1.326 1.00 0.00 C ATOM 1134 C CYS A 71 0.650 6.243 0.309 1.00 0.00 C ATOM 1135 O CYS A 71 -0.043 5.410 -0.272 1.00 0.00 O ATOM 1136 CB CYS A 71 0.197 8.664 0.914 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.433 9.401 0.527 1.00 0.00 S ATOM 0 H CYS A 71 1.230 7.672 2.973 1.00 0.00 H new ATOM 0 HA CYS A 71 -1.051 7.028 1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.676 9.223 1.718 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.851 8.731 0.045 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.276 10.644 0.181 1.00 0.00 H new ATOM 1143 N ALA A 72 1.953 6.395 0.125 1.00 0.00 N ATOM 1144 CA ALA A 72 2.680 5.555 -0.811 1.00 0.00 C ATOM 1145 C ALA A 72 2.404 4.085 -0.490 1.00 0.00 C ATOM 1146 O ALA A 72 1.725 3.396 -1.250 1.00 0.00 O ATOM 1147 CB ALA A 72 4.170 5.896 -0.753 1.00 0.00 C ATOM 0 H ALA A 72 2.524 7.088 0.609 1.00 0.00 H new ATOM 0 HA ALA A 72 2.344 5.738 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.715 5.266 -1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.314 6.943 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.544 5.722 0.256 1.00 0.00 H new ATOM 1153 N VAL A 73 2.946 3.647 0.637 1.00 0.00 N ATOM 1154 CA VAL A 73 2.767 2.271 1.068 1.00 0.00 C ATOM 1155 C VAL A 73 1.293 1.886 0.933 1.00 0.00 C ATOM 1156 O VAL A 73 0.958 0.932 0.233 1.00 0.00 O ATOM 1157 CB VAL A 73 3.303 2.094 2.490 1.00 0.00 C ATOM 1158 CG1 VAL A 73 3.099 0.659 2.979 1.00 0.00 C ATOM 1159 CG2 VAL A 73 4.777 2.498 2.575 1.00 0.00 C ATOM 0 H VAL A 73 3.509 4.221 1.265 1.00 0.00 H new ATOM 0 HA VAL A 73 3.339 1.595 0.433 1.00 0.00 H new ATOM 0 HB VAL A 73 2.736 2.755 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.489 0.561 3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.035 0.421 2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.627 -0.029 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.133 2.363 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.364 1.875 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.885 3.544 2.289 1.00 0.00 H new ATOM 1169 N GLY A 74 0.450 2.649 1.615 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.981 2.399 1.580 1.00 0.00 C ATOM 1171 C GLY A 74 -1.440 2.040 0.165 1.00 0.00 C ATOM 1172 O GLY A 74 -2.114 1.030 -0.035 1.00 0.00 O ATOM 0 H GLY A 74 0.731 3.440 2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.229 1.587 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.517 3.283 1.927 1.00 0.00 H new ATOM 1176 N ALA A 75 -1.058 2.886 -0.780 1.00 0.00 N ATOM 1177 CA ALA A 75 -1.422 2.670 -2.170 1.00 0.00 C ATOM 1178 C ALA A 75 -0.813 1.352 -2.653 1.00 0.00 C ATOM 1179 O ALA A 75 -1.486 0.557 -3.309 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.966 3.865 -3.009 1.00 0.00 C ATOM 0 H ALA A 75 -0.500 3.723 -0.610 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.504 2.592 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.239 3.703 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.449 4.771 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.116 3.974 -2.930 1.00 0.00 H new ATOM 1186 N ILE A 76 0.452 1.161 -2.311 1.00 0.00 N ATOM 1187 CA ILE A 76 1.159 -0.047 -2.702 1.00 0.00 C ATOM 1188 C ILE A 76 0.367 -1.270 -2.234 1.00 0.00 C ATOM 1189 O ILE A 76 -0.139 -2.036 -3.053 1.00 0.00 O ATOM 1190 CB ILE A 76 2.600 -0.015 -2.188 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.447 0.972 -2.994 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.210 -1.418 -2.177 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.868 1.059 -2.435 1.00 0.00 C ATOM 0 H ILE A 76 1.006 1.822 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 76 1.233 -0.110 -3.788 1.00 0.00 H new ATOM 0 HB ILE A 76 2.587 0.338 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.481 0.659 -4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.983 1.958 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.234 -1.367 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.622 -2.065 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.209 -1.823 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.449 1.767 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.831 1.395 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.338 0.077 -2.481 1.00 0.00 H new ATOM 1205 N MET A 77 0.285 -1.415 -0.920 1.00 0.00 N ATOM 1206 CA MET A 77 -0.437 -2.531 -0.334 1.00 0.00 C ATOM 1207 C MET A 77 -1.875 -2.589 -0.855 1.00 0.00 C ATOM 1208 O MET A 77 -2.452 -3.668 -0.977 1.00 0.00 O ATOM 1209 CB MET A 77 -0.451 -2.388 1.189 1.00 0.00 C ATOM 1210 CG MET A 77 -1.195 -1.120 1.613 1.00 0.00 C ATOM 1211 SD MET A 77 -1.159 -0.957 3.391 1.00 0.00 S ATOM 1212 CE MET A 77 -1.781 -2.562 3.862 1.00 0.00 C ATOM 0 H MET A 77 0.707 -0.778 -0.244 1.00 0.00 H new ATOM 0 HA MET A 77 0.069 -3.454 -0.616 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.928 -3.260 1.636 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.572 -2.357 1.564 1.00 0.00 H new ATOM 0 HG2 MET A 77 -0.735 -0.247 1.150 1.00 0.00 H new ATOM 0 HG3 MET A 77 -2.227 -1.160 1.264 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.157 -2.521 4.884 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.589 -2.851 3.190 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.978 -3.296 3.800 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.412 -1.414 -1.147 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.771 -1.317 -1.652 1.00 0.00 C ATOM 1224 C LEU A 78 -3.875 -2.082 -2.973 1.00 0.00 C ATOM 1225 O LEU A 78 -4.689 -2.995 -3.102 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.201 0.148 -1.754 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.600 0.398 -2.321 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -5.708 -0.115 -3.759 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -6.675 -0.205 -1.415 1.00 0.00 C ATOM 0 H LEU A 78 -1.931 -0.521 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.470 -1.783 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.149 0.591 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.478 0.676 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.770 1.474 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.712 0.075 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.980 0.401 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.509 -1.187 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.660 -0.013 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.519 -1.281 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.613 0.248 -0.426 1.00 0.00 H new ATOM 1241 N GLY A 79 -3.040 -1.681 -3.920 1.00 0.00 N ATOM 1242 CA GLY A 79 -3.029 -2.317 -5.226 1.00 0.00 C ATOM 1243 C GLY A 79 -2.699 -3.806 -5.108 1.00 0.00 C ATOM 1244 O GLY A 79 -3.457 -4.653 -5.578 1.00 0.00 O ATOM 0 H GLY A 79 -2.366 -0.923 -3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.001 -2.193 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.295 -1.828 -5.866 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.567 -4.080 -4.476 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.127 -5.453 -4.290 1.00 0.00 C ATOM 1250 C ALA A 80 -2.262 -6.267 -3.666 1.00 0.00 C ATOM 1251 O ALA A 80 -2.837 -7.138 -4.318 1.00 0.00 O ATOM 1252 CB ALA A 80 0.141 -5.471 -3.434 1.00 0.00 C ATOM 0 H ALA A 80 -0.941 -3.375 -4.086 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.881 -5.910 -5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.471 -6.500 -3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.926 -4.903 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.069 -5.022 -2.463 1.00 0.00 H new ATOM 1258 N VAL A 81 -2.551 -5.955 -2.411 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.608 -6.647 -1.692 1.00 0.00 C ATOM 1260 C VAL A 81 -4.838 -6.767 -2.594 1.00 0.00 C ATOM 1261 O VAL A 81 -5.268 -7.872 -2.920 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.900 -5.929 -0.373 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -5.028 -6.626 0.392 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -2.638 -5.824 0.485 1.00 0.00 C ATOM 0 H VAL A 81 -2.072 -5.232 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.296 -7.659 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.230 -4.917 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.216 -6.096 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.934 -6.625 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.739 -7.654 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.873 -5.310 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.265 -6.824 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.876 -5.264 -0.056 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.371 -5.614 -2.971 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.543 -5.576 -3.828 1.00 0.00 C ATOM 1276 C TYR A 82 -6.482 -6.676 -4.890 1.00 0.00 C ATOM 1277 O TYR A 82 -7.398 -7.490 -4.998 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.515 -4.212 -4.521 1.00 0.00 C ATOM 1279 CG TYR A 82 -7.491 -4.089 -5.693 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -8.780 -3.649 -5.473 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -7.082 -4.418 -6.969 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -9.699 -3.533 -6.576 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -8.001 -4.302 -8.072 1.00 0.00 C ATOM 1284 CZ TYR A 82 -9.264 -3.865 -7.821 1.00 0.00 C ATOM 1285 OH TYR A 82 -10.132 -3.756 -8.862 1.00 0.00 O ATOM 0 H TYR A 82 -5.012 -4.699 -2.698 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.450 -5.730 -3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.744 -3.439 -3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.504 -4.020 -4.881 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.100 -3.392 -4.474 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.073 -4.762 -7.141 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.711 -3.190 -6.418 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.694 -4.556 -9.076 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.684 -4.026 -9.691 1.00 0.00 H new ATOM 1295 N THR A 83 -5.395 -6.664 -5.646 1.00 0.00 N ATOM 1296 CA THR A 83 -5.203 -7.650 -6.696 1.00 0.00 C ATOM 1297 C THR A 83 -5.331 -9.065 -6.128 1.00 0.00 C ATOM 1298 O THR A 83 -5.934 -9.936 -6.752 1.00 0.00 O ATOM 1299 CB THR A 83 -3.849 -7.381 -7.356 1.00 0.00 C ATOM 1300 OG1 THR A 83 -4.068 -6.206 -8.132 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.479 -8.446 -8.389 1.00 0.00 C ATOM 0 H THR A 83 -4.638 -5.987 -5.553 1.00 0.00 H new ATOM 0 HA THR A 83 -5.975 -7.569 -7.461 1.00 0.00 H new ATOM 0 HB THR A 83 -3.075 -7.335 -6.590 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.944 -5.414 -7.568 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.510 -8.207 -8.827 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.428 -9.421 -7.904 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.235 -8.470 -9.174 1.00 0.00 H new ATOM 1309 N MET A 84 -4.754 -9.250 -4.949 1.00 0.00 N ATOM 1310 CA MET A 84 -4.796 -10.544 -4.290 1.00 0.00 C ATOM 1311 C MET A 84 -6.221 -10.890 -3.853 1.00 0.00 C ATOM 1312 O MET A 84 -6.846 -11.787 -4.417 1.00 0.00 O ATOM 1313 CB MET A 84 -3.877 -10.524 -3.067 1.00 0.00 C ATOM 1314 CG MET A 84 -2.487 -11.059 -3.416 1.00 0.00 C ATOM 1315 SD MET A 84 -2.076 -12.432 -2.353 1.00 0.00 S ATOM 1316 CE MET A 84 -0.766 -11.696 -1.389 1.00 0.00 C ATOM 0 H MET A 84 -4.255 -8.525 -4.434 1.00 0.00 H new ATOM 0 HA MET A 84 -4.458 -11.302 -4.996 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.794 -9.506 -2.687 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.313 -11.127 -2.270 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.462 -11.376 -4.459 1.00 0.00 H new ATOM 0 HG3 MET A 84 -1.745 -10.268 -3.305 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.262 -12.470 -0.810 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.049 -11.216 -2.056 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.186 -10.952 -0.712 1.00 0.00 H new ATOM 1326 N TYR A 85 -6.693 -10.161 -2.852 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.032 -10.380 -2.333 1.00 0.00 C ATOM 1328 C TYR A 85 -9.018 -10.675 -3.466 1.00 0.00 C ATOM 1329 O TYR A 85 -9.837 -11.586 -3.359 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.437 -9.074 -1.648 1.00 0.00 C ATOM 1331 CG TYR A 85 -8.635 -9.200 -0.136 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -7.580 -9.577 0.669 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -9.869 -8.936 0.423 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -7.766 -9.696 2.092 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -10.056 -9.054 1.846 1.00 0.00 C ATOM 1336 CZ TYR A 85 -8.995 -9.428 2.610 1.00 0.00 C ATOM 1337 OH TYR A 85 -9.171 -9.540 3.954 1.00 0.00 O ATOM 0 H TYR A 85 -6.172 -9.418 -2.387 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.045 -11.231 -1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.673 -8.321 -1.843 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.362 -8.712 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.614 -9.783 0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.695 -8.641 -0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.949 -9.991 2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.016 -8.850 2.296 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.098 -9.318 4.182 1.00 0.00 H new ATOM 1347 N SER A 86 -8.905 -9.887 -4.525 1.00 0.00 N ATOM 1348 CA SER A 86 -9.776 -10.052 -5.676 1.00 0.00 C ATOM 1349 C SER A 86 -9.514 -11.405 -6.341 1.00 0.00 C ATOM 1350 O SER A 86 -10.412 -12.240 -6.433 1.00 0.00 O ATOM 1351 CB SER A 86 -9.578 -8.918 -6.684 1.00 0.00 C ATOM 1352 OG SER A 86 -10.489 -7.844 -6.465 1.00 0.00 O ATOM 0 H SER A 86 -8.224 -9.133 -4.610 1.00 0.00 H new ATOM 0 HA SER A 86 -10.809 -10.018 -5.330 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.556 -8.546 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.709 -9.304 -7.695 1.00 0.00 H new ATOM 0 HG SER A 86 -10.330 -7.140 -7.127 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.279 -11.579 -6.788 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.887 -12.817 -7.441 1.00 0.00 C ATOM 1360 C ASP A 87 -8.436 -14.004 -6.647 1.00 0.00 C ATOM 1361 O ASP A 87 -8.867 -14.998 -7.229 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.364 -12.950 -7.499 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.850 -14.154 -8.291 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -6.189 -15.304 -7.815 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -5.161 -14.002 -9.311 1.00 0.00 O ATOM 0 H ASP A 87 -7.537 -10.884 -6.711 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.287 -12.805 -8.455 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.951 -12.042 -7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.981 -13.014 -6.481 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.401 -13.861 -5.331 1.00 0.00 N ATOM 1371 CA TYR A 88 -8.890 -14.909 -4.451 1.00 0.00 C ATOM 1372 C TYR A 88 -10.173 -15.534 -5.003 1.00 0.00 C ATOM 1373 O TYR A 88 -10.319 -16.756 -5.011 1.00 0.00 O ATOM 1374 CB TYR A 88 -9.202 -14.229 -3.117 1.00 0.00 C ATOM 1375 CG TYR A 88 -9.003 -15.131 -1.897 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -7.744 -15.601 -1.584 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -10.083 -15.474 -1.109 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -7.556 -16.450 -0.436 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -9.896 -16.323 0.039 1.00 0.00 C ATOM 1380 CZ TYR A 88 -8.642 -16.769 0.318 1.00 0.00 C ATOM 1381 OH TYR A 88 -8.465 -17.571 1.403 1.00 0.00 O ATOM 0 H TYR A 88 -8.042 -13.035 -4.852 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.150 -15.703 -4.352 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.568 -13.349 -3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.234 -13.878 -3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.899 -15.332 -2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -11.068 -15.106 -1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.576 -16.824 -0.180 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.732 -16.599 0.664 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.326 -17.714 1.848 1.00 0.00 H new ATOM 1391 N VAL A 89 -11.070 -14.668 -5.451 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.336 -15.120 -6.003 1.00 0.00 C ATOM 1393 C VAL A 89 -12.090 -16.333 -6.903 1.00 0.00 C ATOM 1394 O VAL A 89 -11.298 -16.264 -7.842 1.00 0.00 O ATOM 1395 CB VAL A 89 -13.031 -13.967 -6.730 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -12.382 -13.706 -8.091 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -14.529 -14.237 -6.880 1.00 0.00 C ATOM 0 H VAL A 89 -10.945 -13.656 -5.443 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.009 -15.437 -5.207 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.912 -13.069 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.895 -12.882 -8.587 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.332 -13.448 -7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.456 -14.602 -8.707 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -14.999 -13.402 -7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -14.678 -15.152 -7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.979 -14.350 -5.894 1.00 0.00 H new ATOM 1407 N LYS A 90 -12.785 -17.416 -6.585 1.00 0.00 N ATOM 1408 CA LYS A 90 -12.652 -18.642 -7.353 1.00 0.00 C ATOM 1409 C LYS A 90 -11.231 -19.185 -7.197 1.00 0.00 C ATOM 1410 O LYS A 90 -10.995 -20.102 -6.412 1.00 0.00 O ATOM 1411 CB LYS A 90 -13.066 -18.410 -8.808 1.00 0.00 C ATOM 1412 CG LYS A 90 -14.046 -19.487 -9.278 1.00 0.00 C ATOM 1413 CD LYS A 90 -14.334 -19.351 -10.774 1.00 0.00 C ATOM 1414 CE LYS A 90 -15.588 -18.509 -11.017 1.00 0.00 C ATOM 1415 NZ LYS A 90 -16.176 -18.822 -12.338 1.00 0.00 N ATOM 0 H LYS A 90 -13.442 -17.469 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.329 -19.406 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.526 -17.427 -8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.182 -18.414 -9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.633 -20.474 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.977 -19.407 -8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.481 -18.891 -11.272 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.465 -20.340 -11.214 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -16.320 -18.701 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.337 -17.450 -10.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.026 -18.241 -12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.482 -18.616 -13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.434 -19.829 -12.373 1.00 0.00 H new ATOM 1429 N ARG A 91 -10.319 -18.597 -7.958 1.00 0.00 N ATOM 1430 CA ARG A 91 -8.927 -19.010 -7.914 1.00 0.00 C ATOM 1431 C ARG A 91 -8.124 -18.288 -8.998 1.00 0.00 C ATOM 1432 O ARG A 91 -7.249 -17.480 -8.692 1.00 0.00 O ATOM 1433 CB ARG A 91 -8.795 -20.521 -8.113 1.00 0.00 C ATOM 1434 CG ARG A 91 -7.855 -21.131 -7.071 1.00 0.00 C ATOM 1435 CD ARG A 91 -8.380 -22.484 -6.584 1.00 0.00 C ATOM 1436 NE ARG A 91 -7.717 -22.857 -5.314 1.00 0.00 N ATOM 1437 CZ ARG A 91 -7.915 -22.219 -4.141 1.00 0.00 C ATOM 1438 NH1 ARG A 91 -8.761 -21.170 -4.066 1.00 0.00 N ATOM 1439 NH2 ARG A 91 -7.270 -22.638 -3.068 1.00 0.00 N ATOM 0 H ARG A 91 -10.518 -17.837 -8.609 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.534 -18.748 -6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.777 -20.988 -8.040 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.417 -20.728 -9.114 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.861 -21.256 -7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.753 -20.451 -6.225 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.459 -22.434 -6.439 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.195 -23.248 -7.339 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.070 -23.645 -5.326 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.256 -20.854 -4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.905 -20.694 -3.176 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.634 -23.432 -3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.408 -22.167 -2.174 1.00 0.00 H new ATOM 1453 N MET A 92 -8.451 -18.605 -10.242 1.00 0.00 N ATOM 1454 CA MET A 92 -7.772 -17.997 -11.373 1.00 0.00 C ATOM 1455 C MET A 92 -6.348 -18.541 -11.514 1.00 0.00 C ATOM 1456 O MET A 92 -5.535 -18.406 -10.602 1.00 0.00 O ATOM 1457 CB MET A 92 -7.722 -16.480 -11.183 1.00 0.00 C ATOM 1458 CG MET A 92 -7.952 -15.753 -12.510 1.00 0.00 C ATOM 1459 SD MET A 92 -6.406 -15.113 -13.131 1.00 0.00 S ATOM 1460 CE MET A 92 -7.016 -13.953 -14.343 1.00 0.00 C ATOM 0 H MET A 92 -9.178 -19.276 -10.492 1.00 0.00 H new ATOM 0 HA MET A 92 -8.326 -18.241 -12.280 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.480 -16.175 -10.461 1.00 0.00 H new ATOM 0 HB3 MET A 92 -6.755 -16.193 -10.770 1.00 0.00 H new ATOM 0 HG2 MET A 92 -8.391 -16.436 -13.237 1.00 0.00 H new ATOM 0 HG3 MET A 92 -8.662 -14.938 -12.369 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.227 -13.728 -15.060 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.868 -14.387 -14.865 1.00 0.00 H new ATOM 0 HE3 MET A 92 -7.326 -13.035 -13.844 1.00 0.00 H new ATOM 1470 N ALA A 93 -6.091 -19.143 -12.666 1.00 0.00 N ATOM 1471 CA ALA A 93 -4.780 -19.708 -12.939 1.00 0.00 C ATOM 1472 C ALA A 93 -4.727 -20.183 -14.392 1.00 0.00 C ATOM 1473 O ALA A 93 -3.839 -19.787 -15.146 1.00 0.00 O ATOM 1474 CB ALA A 93 -4.494 -20.836 -11.946 1.00 0.00 C ATOM 0 H ALA A 93 -6.768 -19.252 -13.421 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.003 -18.955 -12.810 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.511 -21.260 -12.150 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.515 -20.441 -10.930 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -5.252 -21.612 -12.049 1.00 0.00 H new ATOM 1480 N GLN A 94 -5.688 -21.024 -14.742 1.00 0.00 N ATOM 1481 CA GLN A 94 -5.762 -21.557 -16.092 1.00 0.00 C ATOM 1482 C GLN A 94 -7.220 -21.798 -16.489 1.00 0.00 C ATOM 1483 O GLN A 94 -7.551 -22.845 -17.043 1.00 0.00 O ATOM 1484 CB GLN A 94 -4.940 -22.841 -16.220 1.00 0.00 C ATOM 1485 CG GLN A 94 -5.493 -23.940 -15.310 1.00 0.00 C ATOM 1486 CD GLN A 94 -5.570 -25.277 -16.048 1.00 0.00 C ATOM 1487 OE1 GLN A 94 -4.609 -26.023 -16.137 1.00 0.00 O ATOM 1488 NE2 GLN A 94 -6.764 -25.538 -16.572 1.00 0.00 N ATOM 0 H GLN A 94 -6.423 -21.350 -14.114 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.337 -20.822 -16.775 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -4.950 -23.182 -17.255 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.901 -22.639 -15.961 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.857 -24.042 -14.430 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.485 -23.659 -14.956 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.527 -24.870 -16.461 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.917 -26.406 -17.085 1.00 0.00 H new ATOM 1497 N ASP A 95 -8.052 -20.811 -16.190 1.00 0.00 N ATOM 1498 CA ASP A 95 -9.466 -20.902 -16.509 1.00 0.00 C ATOM 1499 C ASP A 95 -9.883 -19.670 -17.316 1.00 0.00 C ATOM 1500 O ASP A 95 -10.554 -19.792 -18.339 1.00 0.00 O ATOM 1501 CB ASP A 95 -10.316 -20.944 -15.238 1.00 0.00 C ATOM 1502 CG ASP A 95 -9.920 -19.932 -14.161 1.00 0.00 C ATOM 1503 OD1 ASP A 95 -8.873 -20.068 -13.511 1.00 0.00 O ATOM 1504 OD2 ASP A 95 -10.748 -18.957 -13.998 1.00 0.00 O ATOM 0 H ASP A 95 -7.773 -19.944 -15.730 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.624 -21.817 -17.079 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.358 -20.774 -15.510 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -10.257 -21.946 -14.813 1.00 0.00 H new ATOM 1509 N ALA A 96 -9.469 -18.512 -16.823 1.00 0.00 N ATOM 1510 CA ALA A 96 -9.791 -17.259 -17.485 1.00 0.00 C ATOM 1511 C ALA A 96 -9.513 -17.393 -18.984 1.00 0.00 C ATOM 1512 O ALA A 96 -8.503 -17.971 -19.383 1.00 0.00 O ATOM 1513 CB ALA A 96 -8.992 -16.122 -16.844 1.00 0.00 C ATOM 0 H ALA A 96 -8.913 -18.415 -15.973 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.848 -17.023 -17.365 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.234 -15.182 -17.341 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.247 -16.049 -15.787 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.926 -16.323 -16.947 1.00 0.00 H new ATOM 1519 N GLY A 97 -10.428 -16.849 -19.773 1.00 0.00 N ATOM 1520 CA GLY A 97 -10.295 -16.900 -21.219 1.00 0.00 C ATOM 1521 C GLY A 97 -9.138 -16.019 -21.695 1.00 0.00 C ATOM 1522 O GLY A 97 -8.100 -15.943 -21.039 1.00 0.00 O ATOM 0 H GLY A 97 -11.264 -16.371 -19.438 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.127 -17.929 -21.536 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.224 -16.570 -21.685 1.00 0.00 H new ATOM 1526 N GLU A 98 -9.355 -15.376 -22.833 1.00 0.00 N ATOM 1527 CA GLU A 98 -8.344 -14.503 -23.404 1.00 0.00 C ATOM 1528 C GLU A 98 -6.963 -15.154 -23.304 1.00 0.00 C ATOM 1529 O GLU A 98 -6.182 -14.829 -22.412 1.00 0.00 O ATOM 1530 CB GLU A 98 -8.354 -13.133 -22.723 1.00 0.00 C ATOM 1531 CG GLU A 98 -9.513 -12.275 -23.235 1.00 0.00 C ATOM 1532 CD GLU A 98 -9.091 -10.810 -23.372 1.00 0.00 C ATOM 1533 OE1 GLU A 98 -7.960 -10.528 -23.796 1.00 0.00 O ATOM 1534 OE2 GLU A 98 -9.987 -9.950 -23.022 1.00 0.00 O ATOM 0 H GLU A 98 -10.217 -15.442 -23.375 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.577 -14.350 -24.458 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.440 -13.260 -21.644 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.409 -12.623 -22.910 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.851 -12.652 -24.200 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.357 -12.352 -22.550 1.00 0.00 H new ATOM 1541 N LYS A 99 -6.704 -16.063 -24.233 1.00 0.00 N ATOM 1542 CA LYS A 99 -5.431 -16.763 -24.262 1.00 0.00 C ATOM 1543 C LYS A 99 -5.113 -17.291 -22.861 1.00 0.00 C ATOM 1544 O LYS A 99 -4.200 -18.097 -22.690 1.00 0.00 O ATOM 1545 CB LYS A 99 -4.338 -15.864 -24.843 1.00 0.00 C ATOM 1546 CG LYS A 99 -4.232 -16.040 -26.359 1.00 0.00 C ATOM 1547 CD LYS A 99 -5.395 -15.349 -27.074 1.00 0.00 C ATOM 1548 CE LYS A 99 -5.263 -13.827 -26.991 1.00 0.00 C ATOM 1549 NZ LYS A 99 -5.448 -13.217 -28.327 1.00 0.00 N ATOM 0 H LYS A 99 -7.355 -16.331 -24.972 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.486 -17.627 -24.924 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.556 -14.822 -24.609 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.381 -16.102 -24.378 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.287 -15.627 -26.711 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.228 -17.102 -26.606 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.420 -15.659 -28.119 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.339 -15.661 -26.626 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.004 -13.429 -26.297 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.282 -13.562 -26.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.355 -12.184 -28.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.725 -13.583 -28.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.394 -13.455 -28.689 1.00 0.00 H new TER 1563 LYS A 99