USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 619 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 24 LYS NZ :NH3+ -156:sc= 1.11 (180deg=0) USER MOD Set 1.2: A 60 GLN : amide:sc= 2.18 K(o=3.3,f=-13!) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.176 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -135:sc= 1.16 (180deg=0.788) USER MOD Single : A 7 MET CE :methyl -176:sc= 0 (180deg=-0.0137) USER MOD Single : A 8 LYS NZ :NH3+ 153:sc= 1.22 (180deg=1.03) USER MOD Single : A 12 MET CE :methyl 159:sc= -1.22 (180deg=-2.62) USER MOD Single : A 13 THR OG1 : rot -5:sc= 0.571 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 82:sc= 0.199 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 32 GLN : amide:sc= 0.429 K(o=0.43,f=-3.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 41 GLN : amide:sc= 0.428 K(o=0.43,f=-4.4!) USER MOD Single : A 44 THR OG1 : rot 86:sc= 0.585 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0154 K(o=-0.015,f=-1.1) USER MOD Single : A 50 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.27) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -161:sc= -1.83 (180deg=-2.81) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= 1.19 (180deg=0.998) USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00706) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.328 2.332 17.725 1.00 0.00 N ATOM 2 CA GLY A 1 0.824 2.011 16.872 1.00 0.00 C ATOM 3 C GLY A 1 0.330 1.812 15.449 1.00 0.00 C ATOM 4 O GLY A 1 -0.762 2.283 15.133 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.123 3.190 18.276 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.166 2.494 17.130 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.512 1.540 18.373 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.558 2.816 16.909 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.321 1.109 17.230 1.00 0.00 H new ATOM 10 N GLU A 2 1.120 1.120 14.637 1.00 0.00 N ATOM 11 CA GLU A 2 0.970 0.952 13.204 1.00 0.00 C ATOM 12 C GLU A 2 0.815 -0.524 12.838 1.00 0.00 C ATOM 13 O GLU A 2 1.034 -1.411 13.663 1.00 0.00 O ATOM 14 CB GLU A 2 2.202 1.550 12.506 1.00 0.00 C ATOM 15 CG GLU A 2 3.517 1.152 13.197 1.00 0.00 C ATOM 16 CD GLU A 2 3.835 2.098 14.347 1.00 0.00 C ATOM 17 OE1 GLU A 2 4.252 3.234 14.033 1.00 0.00 O ATOM 18 OE2 GLU A 2 3.553 1.695 15.499 1.00 0.00 O ATOM 0 H GLU A 2 1.940 0.628 14.992 1.00 0.00 H new ATOM 0 HA GLU A 2 0.069 1.469 12.874 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.225 1.218 11.468 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.117 2.637 12.491 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.441 0.131 13.571 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.332 1.167 12.473 1.00 0.00 H new ATOM 25 N VAL A 3 0.447 -0.774 11.581 1.00 0.00 N ATOM 26 CA VAL A 3 0.346 -2.089 10.979 1.00 0.00 C ATOM 27 C VAL A 3 0.957 -2.009 9.582 1.00 0.00 C ATOM 28 O VAL A 3 0.757 -1.029 8.863 1.00 0.00 O ATOM 29 CB VAL A 3 -1.127 -2.516 10.930 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.372 -3.764 10.080 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.660 -2.784 12.343 1.00 0.00 C ATOM 0 H VAL A 3 0.202 -0.027 10.932 1.00 0.00 H new ATOM 0 HA VAL A 3 0.884 -2.836 11.562 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.656 -1.684 10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.434 -4.008 10.090 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.053 -3.575 9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.804 -4.600 10.488 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.706 -3.085 12.286 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.078 -3.580 12.807 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.576 -1.877 12.942 1.00 0.00 H new ATOM 41 N VAL A 4 1.685 -3.062 9.210 1.00 0.00 N ATOM 42 CA VAL A 4 2.172 -3.303 7.862 1.00 0.00 C ATOM 43 C VAL A 4 1.077 -4.074 7.128 1.00 0.00 C ATOM 44 O VAL A 4 0.580 -5.086 7.628 1.00 0.00 O ATOM 45 CB VAL A 4 3.532 -4.045 7.895 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.547 -5.384 7.146 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.645 -3.200 7.278 1.00 0.00 C ATOM 0 H VAL A 4 1.959 -3.793 9.866 1.00 0.00 H new ATOM 0 HA VAL A 4 2.370 -2.373 7.330 1.00 0.00 H new ATOM 0 HB VAL A 4 3.694 -4.230 8.957 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.538 -5.832 7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.810 -6.056 7.586 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.304 -5.217 6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.585 -3.751 7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.399 -2.976 6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.746 -2.269 7.835 1.00 0.00 H new ATOM 57 N LEU A 5 0.710 -3.598 5.942 1.00 0.00 N ATOM 58 CA LEU A 5 -0.143 -4.295 5.004 1.00 0.00 C ATOM 59 C LEU A 5 0.744 -4.658 3.820 1.00 0.00 C ATOM 60 O LEU A 5 1.629 -3.877 3.463 1.00 0.00 O ATOM 61 CB LEU A 5 -1.309 -3.371 4.632 1.00 0.00 C ATOM 62 CG LEU A 5 -2.141 -3.898 3.458 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.592 -3.458 3.648 1.00 0.00 C ATOM 64 CD2 LEU A 5 -1.640 -3.380 2.105 1.00 0.00 C ATOM 0 H LEU A 5 1.012 -2.685 5.603 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.586 -5.207 5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.956 -3.244 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.918 -2.386 4.379 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.052 -4.984 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.196 -3.827 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.976 -3.863 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.641 -2.369 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.264 -3.783 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.691 -2.291 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.608 -3.697 1.954 1.00 0.00 H new ATOM 76 N LYS A 6 0.527 -5.838 3.230 1.00 0.00 N ATOM 77 CA LYS A 6 1.261 -6.314 2.074 1.00 0.00 C ATOM 78 C LYS A 6 0.208 -6.738 1.053 1.00 0.00 C ATOM 79 O LYS A 6 -0.584 -7.648 1.322 1.00 0.00 O ATOM 80 CB LYS A 6 2.166 -7.491 2.481 1.00 0.00 C ATOM 81 CG LYS A 6 3.583 -7.427 1.920 1.00 0.00 C ATOM 82 CD LYS A 6 4.503 -6.591 2.815 1.00 0.00 C ATOM 83 CE LYS A 6 5.953 -6.579 2.309 1.00 0.00 C ATOM 84 NZ LYS A 6 6.569 -7.921 2.274 1.00 0.00 N ATOM 0 H LYS A 6 -0.181 -6.496 3.557 1.00 0.00 H new ATOM 0 HA LYS A 6 1.913 -5.549 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.222 -7.530 3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.701 -8.420 2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.984 -8.436 1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.560 -6.998 0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.129 -5.568 2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.478 -6.988 3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.978 -6.149 1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.549 -5.929 2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.528 -7.873 2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.993 -8.582 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.620 -8.254 1.290 1.00 0.00 H new ATOM 98 N MET A 7 0.180 -6.063 -0.096 1.00 0.00 N ATOM 99 CA MET A 7 -0.666 -6.422 -1.213 1.00 0.00 C ATOM 100 C MET A 7 0.198 -6.879 -2.381 1.00 0.00 C ATOM 101 O MET A 7 1.157 -6.202 -2.739 1.00 0.00 O ATOM 102 CB MET A 7 -1.584 -5.257 -1.603 1.00 0.00 C ATOM 103 CG MET A 7 -0.898 -3.898 -1.562 1.00 0.00 C ATOM 104 SD MET A 7 -1.751 -2.542 -2.407 1.00 0.00 S ATOM 105 CE MET A 7 -3.234 -2.379 -1.388 1.00 0.00 C ATOM 0 H MET A 7 0.757 -5.240 -0.271 1.00 0.00 H new ATOM 0 HA MET A 7 -1.313 -7.249 -0.922 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.969 -5.430 -2.608 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.442 -5.241 -0.931 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.759 -3.617 -0.518 1.00 0.00 H new ATOM 0 HG3 MET A 7 0.095 -4.003 -1.999 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.895 -1.630 -1.824 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.752 -3.337 -1.343 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.952 -2.071 -0.381 1.00 0.00 H new ATOM 115 N LYS A 8 -0.142 -8.019 -2.985 1.00 0.00 N ATOM 116 CA LYS A 8 0.430 -8.359 -4.283 1.00 0.00 C ATOM 117 C LYS A 8 -0.135 -7.367 -5.281 1.00 0.00 C ATOM 118 O LYS A 8 -1.325 -7.080 -5.209 1.00 0.00 O ATOM 119 CB LYS A 8 0.032 -9.773 -4.709 1.00 0.00 C ATOM 120 CG LYS A 8 0.986 -10.831 -4.188 1.00 0.00 C ATOM 121 CD LYS A 8 1.101 -10.793 -2.663 1.00 0.00 C ATOM 122 CE LYS A 8 1.966 -11.964 -2.186 1.00 0.00 C ATOM 123 NZ LYS A 8 2.334 -11.812 -0.769 1.00 0.00 N ATOM 0 H LYS A 8 -0.794 -8.705 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 8 1.518 -8.320 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.974 -9.987 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.002 -9.824 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.642 -11.817 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.971 -10.681 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.542 -9.848 -2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.111 -10.851 -2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.425 -12.900 -2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.868 -12.024 -2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.498 -12.750 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.201 -11.243 -0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.563 -11.336 -0.259 1.00 0.00 H new ATOM 137 N VAL A 9 0.684 -6.853 -6.190 1.00 0.00 N ATOM 138 CA VAL A 9 0.212 -6.044 -7.294 1.00 0.00 C ATOM 139 C VAL A 9 0.654 -6.728 -8.577 1.00 0.00 C ATOM 140 O VAL A 9 1.671 -7.413 -8.578 1.00 0.00 O ATOM 141 CB VAL A 9 0.765 -4.621 -7.187 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.045 -3.852 -6.074 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.281 -4.574 -6.961 1.00 0.00 C ATOM 0 H VAL A 9 1.695 -6.989 -6.178 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.874 -5.956 -7.281 1.00 0.00 H new ATOM 0 HB VAL A 9 0.576 -4.145 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.449 -2.842 -6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.021 -3.803 -6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.194 -4.364 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.607 -3.536 -6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.527 -5.092 -6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.788 -5.061 -7.794 1.00 0.00 H new ATOM 153 N GLU A 10 -0.099 -6.530 -9.656 1.00 0.00 N ATOM 154 CA GLU A 10 0.221 -7.098 -10.956 1.00 0.00 C ATOM 155 C GLU A 10 0.451 -5.950 -11.936 1.00 0.00 C ATOM 156 O GLU A 10 -0.197 -4.908 -11.835 1.00 0.00 O ATOM 157 CB GLU A 10 -0.905 -8.020 -11.439 1.00 0.00 C ATOM 158 CG GLU A 10 -1.356 -9.021 -10.362 1.00 0.00 C ATOM 159 CD GLU A 10 -0.290 -10.036 -9.961 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.506 -10.408 -10.848 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.332 -10.452 -8.782 1.00 0.00 O ATOM 0 H GLU A 10 -0.951 -5.969 -9.650 1.00 0.00 H new ATOM 0 HA GLU A 10 1.123 -7.705 -10.885 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.758 -7.415 -11.747 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.568 -8.567 -12.320 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.666 -8.468 -9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.233 -9.557 -10.725 1.00 0.00 H new ATOM 168 N GLY A 11 1.369 -6.127 -12.886 1.00 0.00 N ATOM 169 CA GLY A 11 1.571 -5.210 -13.998 1.00 0.00 C ATOM 170 C GLY A 11 2.693 -4.209 -13.735 1.00 0.00 C ATOM 171 O GLY A 11 3.471 -3.915 -14.641 1.00 0.00 O ATOM 0 H GLY A 11 2.002 -6.927 -12.901 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.801 -5.781 -14.898 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.644 -4.669 -14.192 1.00 0.00 H new ATOM 175 N MET A 12 2.778 -3.663 -12.517 1.00 0.00 N ATOM 176 CA MET A 12 3.824 -2.705 -12.176 1.00 0.00 C ATOM 177 C MET A 12 5.205 -3.308 -12.429 1.00 0.00 C ATOM 178 O MET A 12 5.592 -4.279 -11.783 1.00 0.00 O ATOM 179 CB MET A 12 3.721 -2.267 -10.713 1.00 0.00 C ATOM 180 CG MET A 12 2.555 -1.309 -10.473 1.00 0.00 C ATOM 181 SD MET A 12 2.675 -0.478 -8.868 1.00 0.00 S ATOM 182 CE MET A 12 1.114 -1.019 -8.152 1.00 0.00 C ATOM 0 H MET A 12 2.133 -3.871 -11.754 1.00 0.00 H new ATOM 0 HA MET A 12 3.687 -1.830 -12.812 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.601 -3.147 -10.081 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.652 -1.784 -10.415 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.531 -0.562 -11.267 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.616 -1.861 -10.526 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.162 -0.933 -7.066 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.305 -0.394 -8.530 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.929 -2.058 -8.426 1.00 0.00 H new ATOM 192 N THR A 13 5.953 -2.742 -13.377 1.00 0.00 N ATOM 193 CA THR A 13 7.293 -3.174 -13.726 1.00 0.00 C ATOM 194 C THR A 13 8.095 -1.942 -14.190 1.00 0.00 C ATOM 195 O THR A 13 8.906 -2.008 -15.109 1.00 0.00 O ATOM 196 CB THR A 13 7.165 -4.345 -14.723 1.00 0.00 C ATOM 197 OG1 THR A 13 6.682 -5.494 -14.048 1.00 0.00 O ATOM 198 CG2 THR A 13 8.459 -4.775 -15.409 1.00 0.00 C ATOM 0 H THR A 13 5.629 -1.951 -13.933 1.00 0.00 H new ATOM 0 HA THR A 13 7.868 -3.574 -12.891 1.00 0.00 H new ATOM 0 HB THR A 13 6.492 -3.964 -15.491 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.614 -5.305 -13.089 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.254 -5.603 -16.087 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.867 -3.937 -15.974 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.181 -5.092 -14.657 1.00 0.00 H new ATOM 206 N CYS A 14 7.900 -0.799 -13.522 1.00 0.00 N ATOM 207 CA CYS A 14 8.766 0.358 -13.660 1.00 0.00 C ATOM 208 C CYS A 14 8.705 1.149 -12.360 1.00 0.00 C ATOM 209 O CYS A 14 7.739 1.029 -11.604 1.00 0.00 O ATOM 210 CB CYS A 14 8.373 1.216 -14.873 1.00 0.00 C ATOM 211 SG CYS A 14 6.867 2.208 -14.699 1.00 0.00 S ATOM 0 H CYS A 14 7.130 -0.659 -12.868 1.00 0.00 H new ATOM 0 HA CYS A 14 9.791 0.036 -13.843 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.201 1.888 -15.100 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.252 0.558 -15.733 1.00 0.00 H new ATOM 216 N HIS A 15 9.735 1.960 -12.114 1.00 0.00 N ATOM 217 CA HIS A 15 9.803 2.815 -10.939 1.00 0.00 C ATOM 218 C HIS A 15 8.742 3.922 -10.974 1.00 0.00 C ATOM 219 O HIS A 15 8.447 4.532 -9.949 1.00 0.00 O ATOM 220 CB HIS A 15 11.216 3.393 -10.785 1.00 0.00 C ATOM 221 CG HIS A 15 11.566 4.477 -11.777 1.00 0.00 C ATOM 222 ND1 HIS A 15 11.817 4.313 -13.122 1.00 0.00 N ATOM 223 CD2 HIS A 15 11.723 5.807 -11.488 1.00 0.00 C ATOM 224 CE1 HIS A 15 12.112 5.523 -13.628 1.00 0.00 C ATOM 225 NE2 HIS A 15 12.069 6.465 -12.672 1.00 0.00 N ATOM 0 H HIS A 15 10.545 2.039 -12.729 1.00 0.00 H new ATOM 0 HA HIS A 15 9.584 2.203 -10.064 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.322 3.794 -9.777 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.938 2.582 -10.883 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.601 6.266 -10.518 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.351 5.712 -14.664 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.252 7.462 -12.787 1.00 0.00 H new ATOM 233 N SER A 16 8.197 4.218 -12.161 1.00 0.00 N ATOM 234 CA SER A 16 7.213 5.275 -12.328 1.00 0.00 C ATOM 235 C SER A 16 5.983 4.951 -11.478 1.00 0.00 C ATOM 236 O SER A 16 5.632 5.724 -10.591 1.00 0.00 O ATOM 237 CB SER A 16 6.872 5.475 -13.815 1.00 0.00 C ATOM 238 OG SER A 16 6.601 6.838 -14.072 1.00 0.00 O ATOM 0 H SER A 16 8.430 3.729 -13.025 1.00 0.00 H new ATOM 0 HA SER A 16 7.622 6.224 -11.981 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.703 5.138 -14.435 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.008 4.868 -14.083 1.00 0.00 H new ATOM 0 HG SER A 16 6.387 6.956 -15.021 1.00 0.00 H new ATOM 244 N CYS A 17 5.357 3.792 -11.715 1.00 0.00 N ATOM 245 CA CYS A 17 4.158 3.386 -10.998 1.00 0.00 C ATOM 246 C CYS A 17 4.403 3.375 -9.489 1.00 0.00 C ATOM 247 O CYS A 17 3.649 3.982 -8.724 1.00 0.00 O ATOM 248 CB CYS A 17 3.692 2.009 -11.480 1.00 0.00 C ATOM 249 SG CYS A 17 3.417 1.849 -13.264 1.00 0.00 S ATOM 0 H CYS A 17 5.673 3.115 -12.410 1.00 0.00 H new ATOM 0 HA CYS A 17 3.371 4.111 -11.206 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.433 1.269 -11.178 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.764 1.759 -10.965 1.00 0.00 H new ATOM 254 N THR A 18 5.462 2.678 -9.067 1.00 0.00 N ATOM 255 CA THR A 18 5.805 2.547 -7.666 1.00 0.00 C ATOM 256 C THR A 18 5.938 3.931 -7.036 1.00 0.00 C ATOM 257 O THR A 18 5.221 4.237 -6.089 1.00 0.00 O ATOM 258 CB THR A 18 7.069 1.692 -7.483 1.00 0.00 C ATOM 259 OG1 THR A 18 8.186 2.324 -8.067 1.00 0.00 O ATOM 260 CG2 THR A 18 6.926 0.311 -8.133 1.00 0.00 C ATOM 0 H THR A 18 6.101 2.191 -9.696 1.00 0.00 H new ATOM 0 HA THR A 18 5.003 2.022 -7.147 1.00 0.00 H new ATOM 0 HB THR A 18 7.208 1.576 -6.408 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.981 1.766 -7.939 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.842 -0.260 -7.980 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.088 -0.219 -7.680 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.746 0.429 -9.202 1.00 0.00 H new ATOM 268 N SER A 19 6.800 4.781 -7.600 1.00 0.00 N ATOM 269 CA SER A 19 7.025 6.135 -7.116 1.00 0.00 C ATOM 270 C SER A 19 5.718 6.939 -7.089 1.00 0.00 C ATOM 271 O SER A 19 5.429 7.608 -6.101 1.00 0.00 O ATOM 272 CB SER A 19 8.091 6.809 -7.990 1.00 0.00 C ATOM 273 OG SER A 19 8.438 8.081 -7.479 1.00 0.00 O ATOM 0 H SER A 19 7.365 4.540 -8.414 1.00 0.00 H new ATOM 0 HA SER A 19 7.387 6.097 -6.089 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.979 6.178 -8.038 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.718 6.912 -9.009 1.00 0.00 H new ATOM 0 HG SER A 19 9.120 8.489 -8.053 1.00 0.00 H new ATOM 279 N THR A 20 4.902 6.873 -8.145 1.00 0.00 N ATOM 280 CA THR A 20 3.599 7.528 -8.187 1.00 0.00 C ATOM 281 C THR A 20 2.737 7.107 -6.994 1.00 0.00 C ATOM 282 O THR A 20 2.175 7.959 -6.304 1.00 0.00 O ATOM 283 CB THR A 20 2.909 7.240 -9.533 1.00 0.00 C ATOM 284 OG1 THR A 20 3.569 7.953 -10.559 1.00 0.00 O ATOM 285 CG2 THR A 20 1.429 7.637 -9.551 1.00 0.00 C ATOM 0 H THR A 20 5.131 6.361 -8.997 1.00 0.00 H new ATOM 0 HA THR A 20 3.739 8.606 -8.109 1.00 0.00 H new ATOM 0 HB THR A 20 2.966 6.163 -9.688 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.362 7.454 -10.847 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.003 7.408 -10.528 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.894 7.081 -8.782 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.337 8.706 -9.356 1.00 0.00 H new ATOM 293 N ILE A 21 2.609 5.804 -6.747 1.00 0.00 N ATOM 294 CA ILE A 21 1.826 5.283 -5.646 1.00 0.00 C ATOM 295 C ILE A 21 2.430 5.737 -4.314 1.00 0.00 C ATOM 296 O ILE A 21 1.706 6.241 -3.458 1.00 0.00 O ATOM 297 CB ILE A 21 1.772 3.761 -5.838 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.599 3.396 -6.749 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.631 2.996 -4.537 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.916 2.132 -7.540 1.00 0.00 C ATOM 0 H ILE A 21 3.052 5.081 -7.314 1.00 0.00 H new ATOM 0 HA ILE A 21 0.805 5.663 -5.628 1.00 0.00 H new ATOM 0 HB ILE A 21 2.724 3.475 -6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.300 3.243 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.392 4.219 -7.433 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.599 1.927 -4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.482 3.215 -3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.710 3.296 -4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.072 1.884 -8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.803 2.298 -8.152 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.100 1.308 -6.851 1.00 0.00 H new ATOM 312 N GLU A 22 3.746 5.581 -4.154 1.00 0.00 N ATOM 313 CA GLU A 22 4.514 6.076 -3.021 1.00 0.00 C ATOM 314 C GLU A 22 4.123 7.524 -2.723 1.00 0.00 C ATOM 315 O GLU A 22 3.712 7.838 -1.609 1.00 0.00 O ATOM 316 CB GLU A 22 6.018 5.899 -3.298 1.00 0.00 C ATOM 317 CG GLU A 22 6.554 4.660 -2.571 1.00 0.00 C ATOM 318 CD GLU A 22 8.025 4.413 -2.865 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.294 3.781 -3.909 1.00 0.00 O ATOM 320 OE2 GLU A 22 8.848 4.839 -2.028 1.00 0.00 O ATOM 0 H GLU A 22 4.322 5.088 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 22 4.287 5.499 -2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.188 5.801 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.561 6.785 -2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.416 4.783 -1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.974 3.787 -2.869 1.00 0.00 H new ATOM 327 N GLY A 23 4.191 8.385 -3.737 1.00 0.00 N ATOM 328 CA GLY A 23 3.742 9.761 -3.666 1.00 0.00 C ATOM 329 C GLY A 23 2.297 9.848 -3.183 1.00 0.00 C ATOM 330 O GLY A 23 2.024 10.493 -2.173 1.00 0.00 O ATOM 0 H GLY A 23 4.570 8.132 -4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.388 10.322 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.828 10.225 -4.649 1.00 0.00 H new ATOM 334 N LYS A 24 1.362 9.224 -3.909 1.00 0.00 N ATOM 335 CA LYS A 24 -0.059 9.348 -3.620 1.00 0.00 C ATOM 336 C LYS A 24 -0.357 8.952 -2.178 1.00 0.00 C ATOM 337 O LYS A 24 -0.871 9.752 -1.401 1.00 0.00 O ATOM 338 CB LYS A 24 -0.900 8.521 -4.611 1.00 0.00 C ATOM 339 CG LYS A 24 -2.389 8.914 -4.558 1.00 0.00 C ATOM 340 CD LYS A 24 -2.666 10.211 -5.340 1.00 0.00 C ATOM 341 CE LYS A 24 -3.990 10.883 -4.948 1.00 0.00 C ATOM 342 NZ LYS A 24 -5.170 10.021 -5.172 1.00 0.00 N ATOM 0 H LYS A 24 1.574 8.624 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.338 10.394 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.520 8.668 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.795 7.461 -4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.993 8.105 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.694 9.043 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.847 10.911 -5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.681 9.988 -6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.949 11.165 -3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.106 11.803 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.016 10.614 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.026 9.452 -6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.299 9.389 -4.356 1.00 0.00 H new ATOM 356 N ILE A 25 -0.059 7.700 -1.851 1.00 0.00 N ATOM 357 CA ILE A 25 -0.350 7.114 -0.556 1.00 0.00 C ATOM 358 C ILE A 25 0.443 7.849 0.522 1.00 0.00 C ATOM 359 O ILE A 25 -0.119 8.245 1.539 1.00 0.00 O ATOM 360 CB ILE A 25 -0.073 5.605 -0.585 1.00 0.00 C ATOM 361 CG1 ILE A 25 -1.152 4.783 -1.291 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.112 5.047 0.829 1.00 0.00 C ATOM 363 CD1 ILE A 25 -1.550 5.275 -2.664 1.00 0.00 C ATOM 0 H ILE A 25 0.400 7.055 -2.494 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.407 7.229 -0.315 1.00 0.00 H new ATOM 0 HB ILE A 25 0.886 5.522 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.801 3.755 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.040 4.763 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.085 3.975 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.647 5.541 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.096 5.224 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.320 4.622 -3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.938 6.291 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.679 5.267 -3.320 1.00 0.00 H new ATOM 375 N GLY A 26 1.737 8.061 0.289 1.00 0.00 N ATOM 376 CA GLY A 26 2.591 8.833 1.182 1.00 0.00 C ATOM 377 C GLY A 26 1.978 10.189 1.535 1.00 0.00 C ATOM 378 O GLY A 26 2.049 10.627 2.679 1.00 0.00 O ATOM 0 H GLY A 26 2.223 7.698 -0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.766 8.266 2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.562 8.986 0.711 1.00 0.00 H new ATOM 382 N LYS A 27 1.373 10.860 0.551 1.00 0.00 N ATOM 383 CA LYS A 27 0.748 12.153 0.723 1.00 0.00 C ATOM 384 C LYS A 27 -0.585 12.075 1.487 1.00 0.00 C ATOM 385 O LYS A 27 -1.124 13.120 1.851 1.00 0.00 O ATOM 386 CB LYS A 27 0.630 12.786 -0.672 1.00 0.00 C ATOM 387 CG LYS A 27 0.037 14.190 -0.629 1.00 0.00 C ATOM 388 CD LYS A 27 0.447 14.991 -1.874 1.00 0.00 C ATOM 389 CE LYS A 27 -0.127 16.416 -1.864 1.00 0.00 C ATOM 390 NZ LYS A 27 -1.570 16.446 -2.173 1.00 0.00 N ATOM 0 H LYS A 27 1.308 10.503 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 27 1.361 12.792 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.617 12.826 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.008 12.152 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.050 14.129 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.376 14.706 0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.534 15.040 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.105 14.470 -2.768 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.041 16.865 -0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.410 17.026 -2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.909 17.429 -2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.731 16.043 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.088 15.887 -1.465 1.00 0.00 H new ATOM 404 N LEU A 28 -1.139 10.885 1.743 1.00 0.00 N ATOM 405 CA LEU A 28 -2.342 10.746 2.538 1.00 0.00 C ATOM 406 C LEU A 28 -1.990 10.691 4.020 1.00 0.00 C ATOM 407 O LEU A 28 -1.135 9.913 4.443 1.00 0.00 O ATOM 408 CB LEU A 28 -3.078 9.478 2.160 1.00 0.00 C ATOM 409 CG LEU A 28 -3.513 9.429 0.687 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.681 8.462 0.619 1.00 0.00 C ATOM 411 CD2 LEU A 28 -3.982 10.766 0.091 1.00 0.00 C ATOM 0 H LEU A 28 -0.761 10.001 1.402 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.980 11.608 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.437 8.621 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.960 9.378 2.793 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.638 9.137 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.032 8.388 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.360 7.479 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.490 8.824 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.266 10.620 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.841 11.134 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.173 11.494 0.148 1.00 0.00 H new ATOM 423 N GLN A 29 -2.698 11.477 4.826 1.00 0.00 N ATOM 424 CA GLN A 29 -2.638 11.326 6.266 1.00 0.00 C ATOM 425 C GLN A 29 -3.203 9.958 6.644 1.00 0.00 C ATOM 426 O GLN A 29 -4.248 9.567 6.131 1.00 0.00 O ATOM 427 CB GLN A 29 -3.416 12.473 6.922 1.00 0.00 C ATOM 428 CG GLN A 29 -3.559 12.299 8.441 1.00 0.00 C ATOM 429 CD GLN A 29 -4.118 13.555 9.108 1.00 0.00 C ATOM 430 OE1 GLN A 29 -4.411 14.549 8.453 1.00 0.00 O ATOM 431 NE2 GLN A 29 -4.264 13.528 10.429 1.00 0.00 N ATOM 0 H GLN A 29 -3.316 12.221 4.502 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.609 11.374 6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.910 13.416 6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.407 12.538 6.473 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.216 11.454 8.649 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.587 12.061 8.872 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.013 12.689 10.953 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.627 14.346 10.919 1.00 0.00 H new ATOM 440 N GLY A 30 -2.515 9.241 7.540 1.00 0.00 N ATOM 441 CA GLY A 30 -2.911 7.908 7.976 1.00 0.00 C ATOM 442 C GLY A 30 -1.762 6.911 7.916 1.00 0.00 C ATOM 443 O GLY A 30 -1.810 5.860 8.560 1.00 0.00 O ATOM 0 H GLY A 30 -1.661 9.578 7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.290 7.960 8.997 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.730 7.553 7.350 1.00 0.00 H new ATOM 447 N VAL A 31 -0.746 7.240 7.118 1.00 0.00 N ATOM 448 CA VAL A 31 0.367 6.373 6.795 1.00 0.00 C ATOM 449 C VAL A 31 1.627 6.829 7.528 1.00 0.00 C ATOM 450 O VAL A 31 1.863 8.030 7.649 1.00 0.00 O ATOM 451 CB VAL A 31 0.515 6.385 5.261 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.901 5.962 4.765 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.543 5.459 4.652 1.00 0.00 C ATOM 0 H VAL A 31 -0.681 8.153 6.667 1.00 0.00 H new ATOM 0 HA VAL A 31 0.195 5.349 7.126 1.00 0.00 H new ATOM 0 HB VAL A 31 0.377 7.418 4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.924 5.997 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.654 6.641 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.113 4.947 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.446 5.461 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.399 4.446 5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.537 5.811 4.928 1.00 0.00 H new ATOM 463 N GLN A 32 2.433 5.871 8.008 1.00 0.00 N ATOM 464 CA GLN A 32 3.731 6.136 8.613 1.00 0.00 C ATOM 465 C GLN A 32 4.879 5.813 7.654 1.00 0.00 C ATOM 466 O GLN A 32 5.939 6.434 7.727 1.00 0.00 O ATOM 467 CB GLN A 32 3.856 5.432 9.963 1.00 0.00 C ATOM 468 CG GLN A 32 3.973 3.914 9.935 1.00 0.00 C ATOM 469 CD GLN A 32 5.334 3.410 10.426 1.00 0.00 C ATOM 470 OE1 GLN A 32 6.212 3.091 9.627 1.00 0.00 O ATOM 471 NE2 GLN A 32 5.565 3.335 11.731 1.00 0.00 N ATOM 0 H GLN A 32 2.192 4.880 7.983 1.00 0.00 H new ATOM 0 HA GLN A 32 3.805 7.205 8.811 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.732 5.831 10.475 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.987 5.695 10.566 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.187 3.483 10.555 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.806 3.561 8.917 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.836 3.600 12.394 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.471 3.013 12.071 1.00 0.00 H new ATOM 480 N ARG A 33 4.688 4.830 6.769 1.00 0.00 N ATOM 481 CA ARG A 33 5.696 4.386 5.816 1.00 0.00 C ATOM 482 C ARG A 33 5.005 3.550 4.752 1.00 0.00 C ATOM 483 O ARG A 33 3.831 3.213 4.861 1.00 0.00 O ATOM 484 CB ARG A 33 6.805 3.614 6.547 1.00 0.00 C ATOM 485 CG ARG A 33 8.190 3.750 5.900 1.00 0.00 C ATOM 486 CD ARG A 33 9.251 3.056 6.767 1.00 0.00 C ATOM 487 NE ARG A 33 9.211 3.509 8.170 1.00 0.00 N ATOM 488 CZ ARG A 33 9.718 4.661 8.640 1.00 0.00 C ATOM 489 NH1 ARG A 33 10.324 5.513 7.806 1.00 0.00 N ATOM 490 NH2 ARG A 33 9.619 4.952 9.941 1.00 0.00 N ATOM 0 H ARG A 33 3.811 4.315 6.698 1.00 0.00 H new ATOM 0 HA ARG A 33 6.178 5.234 5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.860 3.966 7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.535 2.559 6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.179 3.309 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.441 4.804 5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.097 1.977 6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.240 3.251 6.353 1.00 0.00 H new ATOM 0 HE ARG A 33 8.758 2.892 8.844 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.401 5.288 6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.709 6.388 8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.159 4.300 10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.004 5.826 10.299 1.00 0.00 H new ATOM 504 N ILE A 34 5.724 3.255 3.684 1.00 0.00 N ATOM 505 CA ILE A 34 5.248 2.588 2.512 1.00 0.00 C ATOM 506 C ILE A 34 6.501 2.014 1.856 1.00 0.00 C ATOM 507 O ILE A 34 7.570 2.617 1.964 1.00 0.00 O ATOM 508 CB ILE A 34 4.461 3.607 1.674 1.00 0.00 C ATOM 509 CG1 ILE A 34 4.138 3.013 0.309 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.129 4.991 1.526 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.987 3.753 -0.371 1.00 0.00 C ATOM 0 H ILE A 34 6.713 3.494 3.620 1.00 0.00 H new ATOM 0 HA ILE A 34 4.550 1.768 2.681 1.00 0.00 H new ATOM 0 HB ILE A 34 3.545 3.803 2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.023 3.056 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.878 1.961 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.496 5.637 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.263 5.437 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.100 4.877 1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.786 3.300 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.094 3.688 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.258 4.800 -0.508 1.00 0.00 H new ATOM 523 N LYS A 35 6.395 0.822 1.269 1.00 0.00 N ATOM 524 CA LYS A 35 7.491 0.150 0.589 1.00 0.00 C ATOM 525 C LYS A 35 7.008 -0.646 -0.637 1.00 0.00 C ATOM 526 O LYS A 35 6.607 -1.806 -0.522 1.00 0.00 O ATOM 527 CB LYS A 35 8.327 -0.695 1.570 1.00 0.00 C ATOM 528 CG LYS A 35 9.551 -0.008 2.188 1.00 0.00 C ATOM 529 CD LYS A 35 10.585 0.351 1.112 1.00 0.00 C ATOM 530 CE LYS A 35 11.926 0.805 1.706 1.00 0.00 C ATOM 531 NZ LYS A 35 12.744 -0.332 2.180 1.00 0.00 N ATOM 0 H LYS A 35 5.525 0.290 1.255 1.00 0.00 H new ATOM 0 HA LYS A 35 8.159 0.917 0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.675 -1.024 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.665 -1.590 1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.239 0.895 2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.006 -0.666 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.751 -0.514 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.185 1.144 0.480 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.484 1.362 0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.741 1.487 2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.639 0.024 2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.225 -0.850 2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.945 -0.971 1.384 1.00 0.00 H new ATOM 545 N VAL A 36 7.051 -0.026 -1.819 1.00 0.00 N ATOM 546 CA VAL A 36 6.508 -0.601 -3.043 1.00 0.00 C ATOM 547 C VAL A 36 7.589 -1.366 -3.825 1.00 0.00 C ATOM 548 O VAL A 36 8.444 -0.747 -4.453 1.00 0.00 O ATOM 549 CB VAL A 36 5.821 0.503 -3.868 1.00 0.00 C ATOM 550 CG1 VAL A 36 5.085 -0.139 -5.049 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.780 1.255 -3.029 1.00 0.00 C ATOM 0 H VAL A 36 7.468 0.896 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 36 5.748 -1.342 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 36 6.589 1.199 -4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.596 0.637 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.799 -0.674 -5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.336 -0.837 -4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.312 2.028 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.019 0.556 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.269 1.716 -2.170 1.00 0.00 H new ATOM 561 N SER A 37 7.553 -2.706 -3.798 1.00 0.00 N ATOM 562 CA SER A 37 8.543 -3.568 -4.441 1.00 0.00 C ATOM 563 C SER A 37 8.066 -4.035 -5.821 1.00 0.00 C ATOM 564 O SER A 37 7.002 -4.647 -5.924 1.00 0.00 O ATOM 565 CB SER A 37 8.818 -4.784 -3.560 1.00 0.00 C ATOM 566 OG SER A 37 8.958 -4.421 -2.198 1.00 0.00 O ATOM 0 H SER A 37 6.819 -3.227 -3.318 1.00 0.00 H new ATOM 0 HA SER A 37 9.457 -2.989 -4.573 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.004 -5.501 -3.664 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.726 -5.282 -3.900 1.00 0.00 H new ATOM 0 HG SER A 37 9.131 -5.223 -1.662 1.00 0.00 H new ATOM 572 N LEU A 38 8.868 -3.802 -6.866 1.00 0.00 N ATOM 573 CA LEU A 38 8.540 -4.217 -8.229 1.00 0.00 C ATOM 574 C LEU A 38 8.874 -5.700 -8.427 1.00 0.00 C ATOM 575 O LEU A 38 8.074 -6.450 -8.985 1.00 0.00 O ATOM 576 CB LEU A 38 9.188 -3.259 -9.258 1.00 0.00 C ATOM 577 CG LEU A 38 10.445 -3.744 -10.003 1.00 0.00 C ATOM 578 CD1 LEU A 38 10.102 -4.663 -11.188 1.00 0.00 C ATOM 579 CD2 LEU A 38 11.222 -2.540 -10.553 1.00 0.00 C ATOM 0 H LEU A 38 9.763 -3.320 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 38 7.467 -4.136 -8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.433 -3.009 -10.004 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.442 -2.334 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 38 11.041 -4.305 -9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.021 -4.979 -11.681 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.565 -5.540 -10.825 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.476 -4.123 -11.898 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.110 -2.890 -11.079 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.588 -1.982 -11.242 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.520 -1.892 -9.729 1.00 0.00 H new ATOM 591 N ASP A 39 10.050 -6.123 -7.951 1.00 0.00 N ATOM 592 CA ASP A 39 10.662 -7.424 -8.201 1.00 0.00 C ATOM 593 C ASP A 39 9.672 -8.540 -7.933 1.00 0.00 C ATOM 594 O ASP A 39 9.316 -9.316 -8.816 1.00 0.00 O ATOM 595 CB ASP A 39 11.871 -7.637 -7.276 1.00 0.00 C ATOM 596 CG ASP A 39 12.842 -6.463 -7.272 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.361 -5.348 -6.960 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.030 -6.700 -7.565 1.00 0.00 O ATOM 0 H ASP A 39 10.627 -5.534 -7.351 1.00 0.00 H new ATOM 0 HA ASP A 39 10.976 -7.442 -9.245 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.516 -7.809 -6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.402 -8.537 -7.585 1.00 0.00 H new ATOM 603 N ASN A 40 9.233 -8.600 -6.673 1.00 0.00 N ATOM 604 CA ASN A 40 8.309 -9.614 -6.208 1.00 0.00 C ATOM 605 C ASN A 40 6.864 -9.106 -6.344 1.00 0.00 C ATOM 606 O ASN A 40 5.968 -9.599 -5.665 1.00 0.00 O ATOM 607 CB ASN A 40 8.668 -10.044 -4.787 1.00 0.00 C ATOM 608 CG ASN A 40 8.333 -11.509 -4.501 1.00 0.00 C ATOM 609 OD1 ASN A 40 7.303 -12.033 -4.908 1.00 0.00 O ATOM 610 ND2 ASN A 40 9.225 -12.208 -3.803 1.00 0.00 N ATOM 0 H ASN A 40 9.516 -7.938 -5.950 1.00 0.00 H new ATOM 0 HA ASN A 40 8.389 -10.506 -6.829 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.733 -9.882 -4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.137 -9.411 -4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.055 -13.193 -3.601 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.078 -11.758 -3.471 1.00 0.00 H new ATOM 617 N GLN A 41 6.670 -8.070 -7.177 1.00 0.00 N ATOM 618 CA GLN A 41 5.439 -7.340 -7.439 1.00 0.00 C ATOM 619 C GLN A 41 4.530 -7.272 -6.204 1.00 0.00 C ATOM 620 O GLN A 41 3.412 -7.788 -6.179 1.00 0.00 O ATOM 621 CB GLN A 41 4.825 -7.864 -8.755 1.00 0.00 C ATOM 622 CG GLN A 41 4.592 -6.734 -9.777 1.00 0.00 C ATOM 623 CD GLN A 41 4.648 -7.231 -11.217 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.635 -7.316 -11.907 1.00 0.00 O ATOM 625 NE2 GLN A 41 5.851 -7.537 -11.695 1.00 0.00 N ATOM 0 H GLN A 41 7.444 -7.697 -7.727 1.00 0.00 H new ATOM 0 HA GLN A 41 5.630 -6.281 -7.615 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.486 -8.614 -9.189 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.878 -8.359 -8.541 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.621 -6.275 -9.592 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.344 -5.958 -9.634 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.673 -7.456 -11.097 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.951 -7.853 -12.660 1.00 0.00 H new ATOM 634 N GLU A 42 5.046 -6.622 -5.154 1.00 0.00 N ATOM 635 CA GLU A 42 4.423 -6.577 -3.842 1.00 0.00 C ATOM 636 C GLU A 42 4.569 -5.178 -3.253 1.00 0.00 C ATOM 637 O GLU A 42 5.671 -4.650 -3.112 1.00 0.00 O ATOM 638 CB GLU A 42 5.012 -7.659 -2.930 1.00 0.00 C ATOM 639 CG GLU A 42 4.365 -7.638 -1.540 1.00 0.00 C ATOM 640 CD GLU A 42 4.756 -8.830 -0.680 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.851 -8.783 -0.081 1.00 0.00 O ATOM 642 OE2 GLU A 42 3.905 -9.731 -0.521 1.00 0.00 O ATOM 0 H GLU A 42 5.924 -6.106 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 42 3.358 -6.789 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.866 -8.639 -3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.087 -7.509 -2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.650 -6.719 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.281 -7.618 -1.651 1.00 0.00 H new ATOM 649 N ALA A 43 3.430 -4.594 -2.896 1.00 0.00 N ATOM 650 CA ALA A 43 3.312 -3.268 -2.326 1.00 0.00 C ATOM 651 C ALA A 43 3.089 -3.370 -0.815 1.00 0.00 C ATOM 652 O ALA A 43 2.048 -3.850 -0.360 1.00 0.00 O ATOM 653 CB ALA A 43 2.223 -2.481 -3.065 1.00 0.00 C ATOM 0 H ALA A 43 2.528 -5.057 -3.003 1.00 0.00 H new ATOM 0 HA ALA A 43 4.237 -2.708 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.138 -1.484 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.486 -2.398 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.270 -3.001 -2.969 1.00 0.00 H new ATOM 659 N THR A 44 4.082 -2.917 -0.044 1.00 0.00 N ATOM 660 CA THR A 44 3.998 -2.720 1.394 1.00 0.00 C ATOM 661 C THR A 44 3.371 -1.359 1.639 1.00 0.00 C ATOM 662 O THR A 44 3.843 -0.380 1.063 1.00 0.00 O ATOM 663 CB THR A 44 5.411 -2.686 1.993 1.00 0.00 C ATOM 664 OG1 THR A 44 6.222 -3.695 1.432 1.00 0.00 O ATOM 665 CG2 THR A 44 5.382 -2.807 3.518 1.00 0.00 C ATOM 0 H THR A 44 4.996 -2.671 -0.424 1.00 0.00 H new ATOM 0 HA THR A 44 3.417 -3.525 1.844 1.00 0.00 H new ATOM 0 HB THR A 44 5.844 -1.717 1.745 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.621 -3.368 0.599 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.401 -2.779 3.905 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.812 -1.979 3.938 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.913 -3.750 3.799 1.00 0.00 H new ATOM 673 N ILE A 45 2.376 -1.269 2.518 1.00 0.00 N ATOM 674 CA ILE A 45 1.821 0.006 2.944 1.00 0.00 C ATOM 675 C ILE A 45 1.774 -0.044 4.471 1.00 0.00 C ATOM 676 O ILE A 45 1.240 -1.009 5.016 1.00 0.00 O ATOM 677 CB ILE A 45 0.427 0.223 2.324 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.319 -0.135 0.824 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.003 1.674 2.585 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.878 0.906 -0.145 1.00 0.00 C ATOM 0 H ILE A 45 1.934 -2.079 2.953 1.00 0.00 H new ATOM 0 HA ILE A 45 2.428 0.848 2.611 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.252 -0.477 2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.839 -1.078 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.731 -0.302 0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.989 1.845 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.042 1.854 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.716 2.354 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.752 0.555 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.344 1.847 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.938 1.059 0.058 1.00 0.00 H new ATOM 692 N VAL A 46 2.380 0.929 5.159 1.00 0.00 N ATOM 693 CA VAL A 46 2.493 0.918 6.622 1.00 0.00 C ATOM 694 C VAL A 46 1.636 2.027 7.232 1.00 0.00 C ATOM 695 O VAL A 46 1.959 3.213 7.102 1.00 0.00 O ATOM 696 CB VAL A 46 3.958 1.009 7.081 1.00 0.00 C ATOM 697 CG1 VAL A 46 4.062 0.507 8.526 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.886 0.193 6.173 1.00 0.00 C ATOM 0 H VAL A 46 2.805 1.745 4.719 1.00 0.00 H new ATOM 0 HA VAL A 46 2.113 -0.038 6.983 1.00 0.00 H new ATOM 0 HB VAL A 46 4.275 2.050 7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.098 0.568 8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.436 1.124 9.171 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.725 -0.529 8.577 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.913 0.281 6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.584 -0.854 6.192 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.821 0.571 5.153 1.00 0.00 H new ATOM 708 N TYR A 47 0.536 1.645 7.891 1.00 0.00 N ATOM 709 CA TYR A 47 -0.533 2.564 8.257 1.00 0.00 C ATOM 710 C TYR A 47 -0.930 2.471 9.717 1.00 0.00 C ATOM 711 O TYR A 47 -0.576 1.521 10.411 1.00 0.00 O ATOM 712 CB TYR A 47 -1.752 2.334 7.364 1.00 0.00 C ATOM 713 CG TYR A 47 -2.622 1.150 7.759 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.180 -0.171 7.540 1.00 0.00 C ATOM 715 CD2 TYR A 47 -3.891 1.368 8.330 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.042 -1.253 7.786 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.754 0.286 8.567 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.336 -1.022 8.281 1.00 0.00 C ATOM 719 OH TYR A 47 -5.198 -2.061 8.468 1.00 0.00 O ATOM 0 H TYR A 47 0.367 0.683 8.184 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.144 3.571 8.105 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.365 3.235 7.372 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.411 2.190 6.339 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.177 -0.351 7.182 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.201 2.370 8.586 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.710 -2.263 7.594 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.741 0.461 8.970 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.049 -1.722 8.817 1.00 0.00 H new ATOM 729 N GLN A 48 -1.697 3.468 10.155 1.00 0.00 N ATOM 730 CA GLN A 48 -2.212 3.577 11.503 1.00 0.00 C ATOM 731 C GLN A 48 -3.686 3.136 11.534 1.00 0.00 C ATOM 732 O GLN A 48 -4.545 3.893 11.064 1.00 0.00 O ATOM 733 CB GLN A 48 -2.011 5.027 11.945 1.00 0.00 C ATOM 734 CG GLN A 48 -2.531 5.210 13.380 1.00 0.00 C ATOM 735 CD GLN A 48 -2.058 6.499 14.045 1.00 0.00 C ATOM 736 OE1 GLN A 48 -1.096 7.124 13.614 1.00 0.00 O ATOM 737 NE2 GLN A 48 -2.726 6.900 15.123 1.00 0.00 N ATOM 0 H GLN A 48 -1.982 4.243 9.556 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.686 2.922 12.198 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.954 5.289 11.895 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.538 5.700 11.269 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.621 5.198 13.366 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.210 4.361 13.984 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.523 6.360 15.459 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.441 7.748 15.613 1.00 0.00 H new ATOM 746 N PRO A 49 -4.005 1.946 12.083 1.00 0.00 N ATOM 747 CA PRO A 49 -5.359 1.407 12.111 1.00 0.00 C ATOM 748 C PRO A 49 -6.229 2.206 13.085 1.00 0.00 C ATOM 749 O PRO A 49 -6.430 1.812 14.232 1.00 0.00 O ATOM 750 CB PRO A 49 -5.212 -0.059 12.532 1.00 0.00 C ATOM 751 CG PRO A 49 -3.983 -0.017 13.433 1.00 0.00 C ATOM 752 CD PRO A 49 -3.094 1.009 12.728 1.00 0.00 C ATOM 0 HA PRO A 49 -5.855 1.478 11.143 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.093 -0.420 13.063 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.065 -0.716 11.674 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.234 0.292 14.448 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.500 -0.991 13.506 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.446 1.520 13.440 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.445 0.527 11.996 1.00 0.00 H new ATOM 760 N HIS A 50 -6.721 3.344 12.605 1.00 0.00 N ATOM 761 CA HIS A 50 -7.593 4.293 13.289 1.00 0.00 C ATOM 762 C HIS A 50 -7.786 5.495 12.370 1.00 0.00 C ATOM 763 O HIS A 50 -8.895 6.004 12.243 1.00 0.00 O ATOM 764 CB HIS A 50 -7.011 4.758 14.639 1.00 0.00 C ATOM 765 CG HIS A 50 -7.605 4.061 15.839 1.00 0.00 C ATOM 766 ND1 HIS A 50 -6.919 3.304 16.761 1.00 0.00 N ATOM 767 CD2 HIS A 50 -8.912 4.120 16.245 1.00 0.00 C ATOM 768 CE1 HIS A 50 -7.799 2.915 17.700 1.00 0.00 C ATOM 769 NE2 HIS A 50 -9.025 3.390 17.432 1.00 0.00 N ATOM 0 H HIS A 50 -6.504 3.650 11.656 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.541 3.802 13.508 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.933 4.594 14.634 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.170 5.832 14.740 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.713 4.638 15.738 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.552 2.303 18.555 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -9.871 3.247 17.984 1.00 0.00 H new ATOM 777 N LEU A 51 -6.700 5.948 11.737 1.00 0.00 N ATOM 778 CA LEU A 51 -6.761 7.078 10.825 1.00 0.00 C ATOM 779 C LEU A 51 -7.328 6.625 9.480 1.00 0.00 C ATOM 780 O LEU A 51 -8.316 7.182 9.010 1.00 0.00 O ATOM 781 CB LEU A 51 -5.389 7.730 10.691 1.00 0.00 C ATOM 782 CG LEU A 51 -4.895 8.398 11.986 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.434 8.831 11.813 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.720 9.634 12.365 1.00 0.00 C ATOM 0 H LEU A 51 -5.770 5.544 11.844 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.432 7.838 11.225 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.666 6.975 10.383 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.427 8.477 9.898 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.000 7.661 12.783 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.084 9.304 12.730 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.819 7.957 11.598 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.360 9.539 10.988 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.328 10.065 13.286 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.659 10.371 11.565 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.760 9.345 12.514 1.00 0.00 H new ATOM 796 N ILE A 52 -6.697 5.620 8.863 1.00 0.00 N ATOM 797 CA ILE A 52 -7.055 5.080 7.565 1.00 0.00 C ATOM 798 C ILE A 52 -7.253 3.566 7.660 1.00 0.00 C ATOM 799 O ILE A 52 -6.903 2.956 8.672 1.00 0.00 O ATOM 800 CB ILE A 52 -5.966 5.516 6.561 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.610 6.240 5.385 1.00 0.00 C ATOM 802 CG2 ILE A 52 -5.051 4.398 6.044 1.00 0.00 C ATOM 803 CD1 ILE A 52 -7.155 7.622 5.761 1.00 0.00 C ATOM 0 H ILE A 52 -5.893 5.149 9.278 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.009 5.469 7.209 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.310 6.177 7.127 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.876 6.349 4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.422 5.630 4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.325 4.815 5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.527 3.940 6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.651 3.643 5.535 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.601 8.088 4.883 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.911 7.516 6.539 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.341 8.246 6.129 1.00 0.00 H new ATOM 815 N SER A 53 -7.833 2.971 6.614 1.00 0.00 N ATOM 816 CA SER A 53 -8.173 1.560 6.538 1.00 0.00 C ATOM 817 C SER A 53 -7.643 0.961 5.233 1.00 0.00 C ATOM 818 O SER A 53 -7.295 1.684 4.296 1.00 0.00 O ATOM 819 CB SER A 53 -9.699 1.431 6.606 1.00 0.00 C ATOM 820 OG SER A 53 -10.277 2.086 5.490 1.00 0.00 O ATOM 0 H SER A 53 -8.085 3.484 5.769 1.00 0.00 H new ATOM 0 HA SER A 53 -7.718 1.017 7.366 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.986 0.380 6.613 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.071 1.870 7.532 1.00 0.00 H new ATOM 0 HG SER A 53 -11.253 2.003 5.531 1.00 0.00 H new ATOM 826 N VAL A 54 -7.638 -0.374 5.163 1.00 0.00 N ATOM 827 CA VAL A 54 -7.315 -1.140 3.964 1.00 0.00 C ATOM 828 C VAL A 54 -8.048 -0.595 2.734 1.00 0.00 C ATOM 829 O VAL A 54 -7.469 -0.469 1.653 1.00 0.00 O ATOM 830 CB VAL A 54 -7.679 -2.616 4.198 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.544 -3.430 2.906 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.806 -3.225 5.303 1.00 0.00 C ATOM 0 H VAL A 54 -7.865 -0.964 5.963 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.246 -1.050 3.769 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.720 -2.653 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.808 -4.469 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.213 -3.023 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.516 -3.378 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.082 -4.269 5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.757 -3.164 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.958 -2.675 6.232 1.00 0.00 H new ATOM 842 N GLU A 55 -9.342 -0.315 2.888 1.00 0.00 N ATOM 843 CA GLU A 55 -10.176 0.062 1.765 1.00 0.00 C ATOM 844 C GLU A 55 -9.665 1.339 1.103 1.00 0.00 C ATOM 845 O GLU A 55 -9.681 1.420 -0.112 1.00 0.00 O ATOM 846 CB GLU A 55 -11.634 0.181 2.194 1.00 0.00 C ATOM 847 CG GLU A 55 -12.580 0.350 1.002 1.00 0.00 C ATOM 848 CD GLU A 55 -13.622 -0.757 0.928 1.00 0.00 C ATOM 849 OE1 GLU A 55 -13.205 -1.894 0.621 1.00 0.00 O ATOM 850 OE2 GLU A 55 -14.802 -0.443 1.186 1.00 0.00 O ATOM 0 H GLU A 55 -9.829 -0.344 3.784 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.121 -0.727 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.918 -0.708 2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.744 1.032 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.083 1.314 1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.000 0.361 0.079 1.00 0.00 H new ATOM 857 N GLU A 56 -9.194 2.323 1.866 1.00 0.00 N ATOM 858 CA GLU A 56 -8.705 3.579 1.350 1.00 0.00 C ATOM 859 C GLU A 56 -7.511 3.276 0.447 1.00 0.00 C ATOM 860 O GLU A 56 -7.484 3.712 -0.698 1.00 0.00 O ATOM 861 CB GLU A 56 -8.380 4.499 2.538 1.00 0.00 C ATOM 862 CG GLU A 56 -8.652 5.973 2.219 1.00 0.00 C ATOM 863 CD GLU A 56 -7.713 6.529 1.162 1.00 0.00 C ATOM 864 OE1 GLU A 56 -6.537 6.113 1.181 1.00 0.00 O ATOM 865 OE2 GLU A 56 -8.187 7.354 0.351 1.00 0.00 O ATOM 0 H GLU A 56 -9.145 2.258 2.883 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.441 4.108 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.975 4.200 3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.333 4.376 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.681 6.082 1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.554 6.562 3.131 1.00 0.00 H new ATOM 872 N MET A 57 -6.579 2.433 0.913 1.00 0.00 N ATOM 873 CA MET A 57 -5.492 1.951 0.097 1.00 0.00 C ATOM 874 C MET A 57 -5.992 1.364 -1.219 1.00 0.00 C ATOM 875 O MET A 57 -5.610 1.847 -2.280 1.00 0.00 O ATOM 876 CB MET A 57 -4.674 0.923 0.851 1.00 0.00 C ATOM 877 CG MET A 57 -4.261 1.324 2.259 1.00 0.00 C ATOM 878 SD MET A 57 -3.097 0.135 2.937 1.00 0.00 S ATOM 879 CE MET A 57 -2.772 0.938 4.502 1.00 0.00 C ATOM 0 H MET A 57 -6.571 2.075 1.868 1.00 0.00 H new ATOM 0 HA MET A 57 -4.858 2.805 -0.138 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.248 -0.002 0.908 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.775 0.705 0.275 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.809 2.316 2.243 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.141 1.385 2.899 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.843 0.553 4.922 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.682 2.013 4.348 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.592 0.738 5.191 1.00 0.00 H new ATOM 889 N LYS A 58 -6.823 0.315 -1.175 1.00 0.00 N ATOM 890 CA LYS A 58 -7.312 -0.279 -2.409 1.00 0.00 C ATOM 891 C LYS A 58 -8.017 0.756 -3.272 1.00 0.00 C ATOM 892 O LYS A 58 -7.637 0.926 -4.417 1.00 0.00 O ATOM 893 CB LYS A 58 -8.121 -1.554 -2.161 1.00 0.00 C ATOM 894 CG LYS A 58 -9.205 -1.801 -3.220 1.00 0.00 C ATOM 895 CD LYS A 58 -9.906 -3.158 -3.097 1.00 0.00 C ATOM 896 CE LYS A 58 -8.971 -4.324 -3.464 1.00 0.00 C ATOM 897 NZ LYS A 58 -9.614 -5.282 -4.384 1.00 0.00 N ATOM 0 H LYS A 58 -7.159 -0.125 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.453 -0.614 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.443 -2.407 -2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.590 -1.493 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.953 -1.011 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.754 -1.726 -4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.266 -3.289 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.780 -3.175 -3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.065 -3.931 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.666 -4.843 -2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.145 -6.207 -4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.619 -5.381 -4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.531 -4.934 -5.361 1.00 0.00 H new ATOM 911 N LYS A 59 -9.024 1.441 -2.746 1.00 0.00 N ATOM 912 CA LYS A 59 -9.765 2.465 -3.456 1.00 0.00 C ATOM 913 C LYS A 59 -8.786 3.385 -4.180 1.00 0.00 C ATOM 914 O LYS A 59 -8.889 3.550 -5.393 1.00 0.00 O ATOM 915 CB LYS A 59 -10.701 3.202 -2.483 1.00 0.00 C ATOM 916 CG LYS A 59 -11.967 3.766 -3.139 1.00 0.00 C ATOM 917 CD LYS A 59 -11.720 5.078 -3.897 1.00 0.00 C ATOM 918 CE LYS A 59 -12.798 5.319 -4.962 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.154 5.421 -4.386 1.00 0.00 N ATOM 0 H LYS A 59 -9.353 1.294 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.406 2.023 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.992 2.517 -1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.152 4.019 -2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.372 3.026 -3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.723 3.934 -2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.709 5.910 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.739 5.048 -4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.568 6.236 -5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.776 4.505 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.839 5.617 -5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.401 4.525 -3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.178 6.193 -3.689 1.00 0.00 H new ATOM 933 N GLN A 60 -7.811 3.942 -3.460 1.00 0.00 N ATOM 934 CA GLN A 60 -6.808 4.797 -4.095 1.00 0.00 C ATOM 935 C GLN A 60 -6.029 4.058 -5.191 1.00 0.00 C ATOM 936 O GLN A 60 -5.820 4.590 -6.279 1.00 0.00 O ATOM 937 CB GLN A 60 -5.831 5.317 -3.044 1.00 0.00 C ATOM 938 CG GLN A 60 -6.489 6.303 -2.075 1.00 0.00 C ATOM 939 CD GLN A 60 -6.680 7.710 -2.630 1.00 0.00 C ATOM 940 OE1 GLN A 60 -6.101 8.089 -3.649 1.00 0.00 O ATOM 941 NE2 GLN A 60 -7.484 8.518 -1.952 1.00 0.00 N ATOM 0 H GLN A 60 -7.695 3.820 -2.454 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.337 5.627 -4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.424 4.476 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.992 5.805 -3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.461 5.908 -1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.883 6.363 -1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.953 8.182 -1.111 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.633 9.475 -2.272 1.00 0.00 H new ATOM 950 N ILE A 61 -5.531 2.863 -4.879 1.00 0.00 N ATOM 951 CA ILE A 61 -4.633 2.109 -5.739 1.00 0.00 C ATOM 952 C ILE A 61 -5.382 1.552 -6.951 1.00 0.00 C ATOM 953 O ILE A 61 -5.070 1.924 -8.081 1.00 0.00 O ATOM 954 CB ILE A 61 -3.854 1.070 -4.923 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.951 1.868 -3.961 1.00 0.00 C ATOM 956 CG2 ILE A 61 -3.015 0.186 -5.859 1.00 0.00 C ATOM 957 CD1 ILE A 61 -2.214 0.991 -2.958 1.00 0.00 C ATOM 0 H ILE A 61 -5.747 2.386 -4.004 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.875 2.771 -6.158 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.520 0.408 -4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.223 2.433 -4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.559 2.593 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.466 -0.548 -5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.673 -0.329 -6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.311 0.808 -6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.597 1.616 -2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.937 0.445 -2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.580 0.283 -3.491 1.00 0.00 H new ATOM 969 N GLU A 62 -6.384 0.692 -6.743 1.00 0.00 N ATOM 970 CA GLU A 62 -7.262 0.235 -7.800 1.00 0.00 C ATOM 971 C GLU A 62 -7.786 1.400 -8.653 1.00 0.00 C ATOM 972 O GLU A 62 -7.891 1.238 -9.866 1.00 0.00 O ATOM 973 CB GLU A 62 -8.415 -0.566 -7.176 1.00 0.00 C ATOM 974 CG GLU A 62 -8.444 -2.030 -7.620 1.00 0.00 C ATOM 975 CD GLU A 62 -9.646 -2.761 -7.037 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.738 -2.160 -7.003 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.446 -3.907 -6.575 1.00 0.00 O ATOM 0 H GLU A 62 -6.602 0.297 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.698 -0.408 -8.475 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.331 -0.524 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.361 -0.094 -7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.477 -2.082 -8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.526 -2.526 -7.305 1.00 0.00 H new ATOM 984 N ALA A 63 -8.086 2.573 -8.069 1.00 0.00 N ATOM 985 CA ALA A 63 -8.523 3.718 -8.873 1.00 0.00 C ATOM 986 C ALA A 63 -7.521 4.087 -9.971 1.00 0.00 C ATOM 987 O ALA A 63 -7.934 4.543 -11.034 1.00 0.00 O ATOM 988 CB ALA A 63 -8.806 4.944 -8.005 1.00 0.00 C ATOM 0 H ALA A 63 -8.035 2.748 -7.065 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.448 3.402 -9.355 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.127 5.771 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.593 4.709 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.900 5.227 -7.469 1.00 0.00 H new ATOM 994 N MET A 64 -6.216 3.912 -9.733 1.00 0.00 N ATOM 995 CA MET A 64 -5.222 4.085 -10.777 1.00 0.00 C ATOM 996 C MET A 64 -5.481 3.102 -11.921 1.00 0.00 C ATOM 997 O MET A 64 -5.377 3.462 -13.093 1.00 0.00 O ATOM 998 CB MET A 64 -3.825 3.838 -10.217 1.00 0.00 C ATOM 999 CG MET A 64 -3.431 4.744 -9.052 1.00 0.00 C ATOM 1000 SD MET A 64 -3.514 6.522 -9.381 1.00 0.00 S ATOM 1001 CE MET A 64 -2.691 7.141 -7.902 1.00 0.00 C ATOM 0 H MET A 64 -5.832 3.651 -8.825 1.00 0.00 H new ATOM 0 HA MET A 64 -5.291 5.106 -11.152 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.758 2.800 -9.890 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.099 3.966 -11.020 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.079 4.519 -8.205 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.414 4.496 -8.750 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.652 8.230 -7.936 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.245 6.825 -7.018 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.677 6.743 -7.856 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.780 1.851 -11.562 1.00 0.00 N ATOM 1012 CA GLY A 65 -6.052 0.760 -12.487 1.00 0.00 C ATOM 1013 C GLY A 65 -5.356 -0.523 -12.038 1.00 0.00 C ATOM 1014 O GLY A 65 -5.694 -1.609 -12.501 1.00 0.00 O ATOM 0 H GLY A 65 -5.840 1.565 -10.585 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.127 0.592 -12.551 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.712 1.032 -13.486 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.364 -0.405 -11.152 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.527 -1.517 -10.736 1.00 0.00 C ATOM 1020 C PHE A 66 -4.322 -2.466 -9.834 1.00 0.00 C ATOM 1021 O PHE A 66 -4.699 -2.055 -8.737 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.328 -0.952 -9.971 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.551 0.119 -10.712 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.998 -0.145 -11.979 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.430 1.404 -10.153 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.379 0.887 -12.705 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.772 2.424 -10.860 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.282 2.174 -12.150 1.00 0.00 C ATOM 0 H PHE A 66 -4.122 0.478 -10.702 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.188 -2.077 -11.608 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.680 -0.538 -9.026 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.651 -1.771 -9.728 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.049 -1.141 -12.394 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.845 1.607 -9.177 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.022 0.691 -13.689 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.644 3.398 -10.411 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.171 2.973 -12.718 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.574 -3.722 -10.234 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.249 -4.667 -9.364 1.00 0.00 C ATOM 1040 C PRO A 67 -4.311 -5.021 -8.211 1.00 0.00 C ATOM 1041 O PRO A 67 -3.106 -5.180 -8.425 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.561 -5.878 -10.245 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.423 -5.862 -11.264 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.135 -4.372 -11.461 1.00 0.00 C ATOM 0 HA PRO A 67 -6.166 -4.277 -8.923 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.575 -6.803 -9.669 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.535 -5.787 -10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.546 -6.394 -10.894 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.715 -6.341 -12.199 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.074 -4.198 -11.638 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.671 -3.980 -12.325 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.855 -5.127 -6.993 1.00 0.00 N ATOM 1053 CA ALA A 68 -4.071 -5.420 -5.803 1.00 0.00 C ATOM 1054 C ALA A 68 -4.750 -6.459 -4.910 1.00 0.00 C ATOM 1055 O ALA A 68 -5.956 -6.383 -4.670 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.819 -4.141 -5.012 1.00 0.00 C ATOM 0 H ALA A 68 -5.852 -5.011 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.121 -5.839 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.231 -4.372 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.273 -3.431 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.772 -3.704 -4.713 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.955 -7.395 -4.379 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.374 -8.424 -3.441 1.00 0.00 C ATOM 1064 C PHE A 69 -3.716 -8.179 -2.090 1.00 0.00 C ATOM 1065 O PHE A 69 -2.750 -8.863 -1.745 1.00 0.00 O ATOM 1066 CB PHE A 69 -4.010 -9.804 -3.980 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.885 -10.328 -5.096 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -6.058 -11.037 -4.774 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -4.471 -10.232 -6.440 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -6.797 -11.674 -5.785 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -5.216 -10.864 -7.450 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.372 -11.593 -7.122 1.00 0.00 C ATOM 0 H PHE A 69 -2.962 -7.452 -4.605 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.456 -8.383 -3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.980 -9.774 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.042 -10.515 -3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.390 -11.091 -3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.582 -9.673 -6.693 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.691 -12.226 -5.535 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.900 -10.789 -8.480 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.934 -12.091 -7.898 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.267 -7.225 -1.334 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.057 -7.082 0.106 1.00 0.00 C ATOM 1084 C VAL A 70 -4.317 -8.429 0.783 1.00 0.00 C ATOM 1085 O VAL A 70 -5.457 -8.887 0.807 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.907 -5.946 0.707 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.276 -5.809 0.048 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -5.069 -6.120 2.225 1.00 0.00 C ATOM 0 H VAL A 70 -4.888 -6.513 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.022 -6.794 0.288 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.360 -5.025 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.825 -4.992 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.149 -5.599 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.833 -6.738 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.673 -5.304 2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.561 -7.070 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.088 -6.109 2.699 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.276 -9.064 1.329 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.421 -10.259 2.138 1.00 0.00 C ATOM 1100 C LYS A 71 -2.251 -10.452 3.110 1.00 0.00 C ATOM 1101 O LYS A 71 -1.549 -11.462 3.070 1.00 0.00 O ATOM 1102 CB LYS A 71 -3.754 -11.463 1.265 1.00 0.00 C ATOM 1103 CG LYS A 71 -2.663 -11.773 0.259 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.193 -12.798 -0.757 1.00 0.00 C ATOM 1105 CE LYS A 71 -2.068 -13.633 -1.383 1.00 0.00 C ATOM 1106 NZ LYS A 71 -2.579 -14.581 -2.399 1.00 0.00 N ATOM 0 H LYS A 71 -2.310 -8.756 1.217 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.279 -10.137 2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.916 -12.334 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.689 -11.276 0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.353 -10.862 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.783 -12.168 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.903 -13.461 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.737 -12.277 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.337 -12.969 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.549 -14.186 -0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.786 -15.125 -2.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.258 -15.232 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.052 -14.053 -3.160 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.038 -9.482 4.000 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.067 -9.582 5.079 1.00 0.00 C ATOM 1122 C LYS A 72 -1.486 -8.603 6.176 1.00 0.00 C ATOM 1123 O LYS A 72 -2.208 -7.649 5.882 1.00 0.00 O ATOM 1124 CB LYS A 72 0.325 -9.226 4.543 1.00 0.00 C ATOM 1125 CG LYS A 72 1.478 -9.983 5.218 1.00 0.00 C ATOM 1126 CD LYS A 72 1.661 -11.406 4.654 1.00 0.00 C ATOM 1127 CE LYS A 72 3.002 -11.547 3.908 1.00 0.00 C ATOM 1128 NZ LYS A 72 3.415 -12.956 3.769 1.00 0.00 N ATOM 0 H LYS A 72 -2.543 -8.596 3.988 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.031 -10.595 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.351 -9.429 3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.487 -8.155 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.403 -9.422 5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.291 -10.042 6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.618 -12.130 5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.840 -11.639 3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.915 -11.096 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.774 -10.995 4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.322 -13.004 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.523 -13.381 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.692 -13.479 3.235 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.013 -8.818 7.406 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.225 -7.913 8.530 1.00 0.00 C ATOM 1144 C ILE A 73 -0.033 -8.066 9.490 1.00 0.00 C ATOM 1145 O ILE A 73 -0.177 -8.351 10.678 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.613 -8.205 9.146 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -3.008 -7.181 10.225 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.778 -9.643 9.665 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -4.143 -6.277 9.732 1.00 0.00 C ATOM 0 H ILE A 73 -0.463 -9.642 7.649 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.251 -6.863 8.239 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.308 -8.100 8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.320 -7.702 11.130 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.143 -6.573 10.490 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.778 -9.767 10.081 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.638 -10.345 8.843 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.036 -9.838 10.439 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.404 -5.562 10.512 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.819 -5.739 8.841 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.015 -6.886 9.491 1.00 0.00 H new ATOM 1161 N GLU A 74 1.175 -7.866 8.956 1.00 0.00 N ATOM 1162 CA GLU A 74 2.428 -8.140 9.656 1.00 0.00 C ATOM 1163 C GLU A 74 2.784 -6.946 10.551 1.00 0.00 C ATOM 1164 O GLU A 74 3.731 -6.211 10.291 1.00 0.00 O ATOM 1165 CB GLU A 74 3.521 -8.513 8.628 1.00 0.00 C ATOM 1166 CG GLU A 74 4.087 -9.918 8.857 1.00 0.00 C ATOM 1167 CD GLU A 74 4.992 -10.324 7.703 1.00 0.00 C ATOM 1168 OE1 GLU A 74 4.430 -10.541 6.607 1.00 0.00 O ATOM 1169 OE2 GLU A 74 6.219 -10.397 7.915 1.00 0.00 O ATOM 0 H GLU A 74 1.309 -7.504 8.012 1.00 0.00 H new ATOM 0 HA GLU A 74 2.331 -8.999 10.320 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.105 -8.452 7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.331 -7.785 8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.647 -9.943 9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.271 -10.633 8.955 1.00 0.00 H new ATOM 1176 N GLY A 75 1.981 -6.718 11.591 1.00 0.00 N ATOM 1177 CA GLY A 75 2.157 -5.572 12.473 1.00 0.00 C ATOM 1178 C GLY A 75 3.479 -5.591 13.252 1.00 0.00 C ATOM 1179 O GLY A 75 4.034 -6.658 13.511 1.00 0.00 O ATOM 0 H GLY A 75 1.197 -7.320 11.842 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.107 -4.658 11.881 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.329 -5.539 13.181 1.00 0.00 H new ATOM 1183 N ARG A 76 3.913 -4.396 13.676 1.00 0.00 N ATOM 1184 CA ARG A 76 5.031 -4.108 14.574 1.00 0.00 C ATOM 1185 C ARG A 76 6.346 -3.882 13.812 1.00 0.00 C ATOM 1186 O ARG A 76 7.419 -4.134 14.411 1.00 0.00 O ATOM 1187 CB ARG A 76 5.167 -5.158 15.691 1.00 0.00 C ATOM 1188 CG ARG A 76 5.686 -4.531 16.996 1.00 0.00 C ATOM 1189 CD ARG A 76 6.761 -5.411 17.641 1.00 0.00 C ATOM 1190 NE ARG A 76 8.028 -5.284 16.903 1.00 0.00 N ATOM 1191 CZ ARG A 76 8.904 -4.274 17.036 1.00 0.00 C ATOM 1192 NH1 ARG A 76 8.666 -3.298 17.921 1.00 0.00 N ATOM 1193 NH2 ARG A 76 10.017 -4.249 16.298 1.00 0.00 N ATOM 1194 OXT ARG A 76 6.257 -3.423 12.653 1.00 0.00 O ATOM 0 H ARG A 76 3.451 -3.539 13.373 1.00 0.00 H new ATOM 0 HA ARG A 76 4.799 -3.165 15.069 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.199 -5.626 15.871 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.848 -5.946 15.369 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.096 -3.542 16.790 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.858 -4.394 17.692 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.906 -5.118 18.681 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.436 -6.451 17.645 1.00 0.00 H new ATOM 0 HE ARG A 76 8.260 -6.022 16.238 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.821 -3.322 18.492 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.329 -2.530 18.024 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.204 -4.998 15.631 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.680 -3.481 16.401 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 5.135 0.958 -14.285 1.00 0.00 CU