USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot 150:sc= -0.448 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -113:sc= 1.28 (180deg=-0.174) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.22 (180deg=0.998) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.11) USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.156 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0246 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.505 K(o=0.51,f=-2.2!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.12 (180deg=1.09) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ -109:sc= 0.195 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.567 K(o=0.57,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.51) USER MOD Single : A 55 THR OG1 : rot -78:sc= 1.3 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -50:sc= 0.78 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.00021) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 69:sc= 0.715 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.458 -6.921 -5.124 1.00 9.67 N ATOM 2 CA MET A 1 11.291 -7.307 -3.721 1.00 10.38 C ATOM 3 C MET A 1 9.846 -7.629 -3.388 1.00 9.62 C ATOM 4 O MET A 1 8.917 -7.289 -4.139 1.00 9.62 O ATOM 5 CB MET A 1 11.897 -6.220 -2.804 1.00 13.77 C ATOM 6 CG MET A 1 11.114 -4.931 -2.827 1.00 16.29 C ATOM 7 SD MET A 1 11.778 -3.557 -1.816 1.00 17.17 S ATOM 8 CE MET A 1 10.349 -2.530 -1.892 1.00 16.11 C ATOM 0 H1 MET A 1 12.264 -6.270 -5.211 1.00 9.67 H new ATOM 0 H2 MET A 1 11.634 -7.770 -5.699 1.00 9.67 H new ATOM 0 H3 MET A 1 10.594 -6.449 -5.459 1.00 9.67 H new ATOM 0 HA MET A 1 11.838 -8.233 -3.543 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.939 -6.596 -1.782 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.923 -6.022 -3.113 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.044 -4.592 -3.861 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.099 -5.142 -2.492 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.530 -1.613 -1.331 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.134 -2.283 -2.931 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.498 -3.058 -1.461 1.00 16.11 H new ATOM 20 N GLN A 2 9.640 -8.348 -2.242 1.00 9.27 N ATOM 21 CA GLN A 2 8.329 -8.768 -1.842 1.00 9.07 C ATOM 22 C GLN A 2 8.049 -8.013 -0.597 1.00 8.72 C ATOM 23 O GLN A 2 8.901 -7.654 0.194 1.00 8.22 O ATOM 24 CB GLN A 2 8.326 -10.255 -1.714 1.00 14.46 C ATOM 25 CG GLN A 2 8.342 -10.962 -3.058 1.00 17.01 C ATOM 26 CD GLN A 2 8.934 -12.372 -3.024 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.441 -13.296 -2.382 1.00 21.89 O ATOM 28 NE2 GLN A 2 10.075 -12.527 -3.686 1.00 19.49 N ATOM 0 H GLN A 2 10.385 -8.630 -1.605 1.00 9.27 H new ATOM 0 HA GLN A 2 7.532 -8.554 -2.554 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.195 -10.567 -1.134 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.443 -10.565 -1.156 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.322 -11.019 -3.437 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.912 -10.359 -3.765 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.469 -11.748 -4.213 1.00 19.49 H new ATOM 0 HE22 GLN A 2 10.558 -13.425 -3.667 1.00 19.49 H new ATOM 37 N ILE A 3 6.755 -7.667 -0.323 1.00 5.87 N ATOM 38 CA ILE A 3 6.280 -6.861 0.846 1.00 5.07 C ATOM 39 C ILE A 3 4.917 -7.403 1.230 1.00 4.01 C ATOM 40 O ILE A 3 4.185 -7.881 0.372 1.00 4.61 O ATOM 41 CB ILE A 3 6.253 -5.343 0.656 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.407 -4.770 -0.458 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.734 -4.871 0.519 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.290 -3.194 -0.488 1.00 10.83 C ATOM 0 H ILE A 3 5.987 -7.952 -0.931 1.00 5.87 H new ATOM 0 HA ILE A 3 7.014 -6.979 1.644 1.00 5.07 H new ATOM 0 HB ILE A 3 5.742 -4.953 1.536 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.819 -5.104 -1.411 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.404 -5.189 -0.380 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.760 -3.790 0.381 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.285 -5.135 1.422 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.193 -5.358 -0.342 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.662 -2.892 -1.326 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.845 -2.844 0.444 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.282 -2.758 -0.603 1.00 10.83 H new ATOM 56 N PHE A 4 4.524 -7.297 2.464 1.00 4.55 N ATOM 57 CA PHE A 4 3.319 -7.911 2.933 1.00 4.68 C ATOM 58 C PHE A 4 2.300 -6.823 3.187 1.00 5.30 C ATOM 59 O PHE A 4 2.447 -5.949 4.018 1.00 5.58 O ATOM 60 CB PHE A 4 3.497 -8.744 4.246 1.00 4.83 C ATOM 61 CG PHE A 4 4.488 -9.930 4.048 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.362 -10.871 2.989 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.525 -10.173 4.992 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.321 -11.863 2.737 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.470 -11.172 4.773 1.00 10.61 C ATOM 66 CZ PHE A 4 6.341 -12.021 3.681 1.00 8.90 C ATOM 0 H PHE A 4 5.035 -6.778 3.178 1.00 4.55 H new ATOM 0 HA PHE A 4 2.999 -8.611 2.161 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.861 -8.095 5.042 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.529 -9.129 4.567 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.491 -10.820 2.352 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.580 -9.575 5.890 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.274 -12.479 1.851 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.302 -11.287 5.451 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.049 -12.827 3.557 1.00 8.90 H new ATOM 76 N VAL A 5 1.174 -6.864 2.509 1.00 4.44 N ATOM 77 CA VAL A 5 0.072 -5.882 2.875 1.00 3.87 C ATOM 78 C VAL A 5 -0.815 -6.624 3.737 1.00 4.93 C ATOM 79 O VAL A 5 -1.064 -7.778 3.496 1.00 6.84 O ATOM 80 CB VAL A 5 -0.627 -5.296 1.679 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.831 -4.449 1.987 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.360 -4.403 0.894 1.00 9.13 C ATOM 0 H VAL A 5 0.964 -7.505 1.744 1.00 4.44 H new ATOM 0 HA VAL A 5 0.477 -5.002 3.375 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.975 -6.160 1.113 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.261 -4.076 1.057 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.573 -5.049 2.514 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.534 -3.608 2.613 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.145 -3.978 0.027 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.714 -3.599 1.538 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.208 -5.002 0.562 1.00 9.13 H new ATOM 92 N LYS A 6 -1.354 -5.933 4.723 1.00 6.04 N ATOM 93 CA LYS A 6 -2.170 -6.538 5.681 1.00 6.12 C ATOM 94 C LYS A 6 -3.585 -5.836 5.740 1.00 6.57 C ATOM 95 O LYS A 6 -3.658 -4.594 5.806 1.00 5.76 O ATOM 96 CB LYS A 6 -1.525 -6.541 7.133 1.00 7.45 C ATOM 97 CG LYS A 6 -2.215 -7.535 8.061 1.00 11.12 C ATOM 98 CD LYS A 6 -1.502 -7.768 9.458 1.00 14.54 C ATOM 99 CE LYS A 6 -2.113 -8.933 10.268 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.950 -10.193 9.569 1.00 20.55 N ATOM 0 H LYS A 6 -1.219 -4.931 4.857 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.283 -7.576 5.367 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.466 -6.789 7.059 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.589 -5.540 7.561 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.232 -7.189 8.245 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.292 -8.493 7.547 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.444 -7.967 9.289 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.564 -6.853 10.047 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.635 -8.991 11.246 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.172 -8.744 10.442 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.881 -10.549 9.273 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.352 -10.050 8.730 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.500 -10.885 10.201 1.00 20.55 H new ATOM 114 N THR A 7 -4.638 -6.631 5.692 1.00 7.41 N ATOM 115 CA THR A 7 -5.965 -6.135 5.521 1.00 7.48 C ATOM 116 C THR A 7 -6.659 -5.965 6.886 1.00 8.75 C ATOM 117 O THR A 7 -6.138 -6.453 7.920 1.00 8.58 O ATOM 118 CB THR A 7 -6.723 -7.006 4.520 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.018 -8.271 5.088 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.867 -7.275 3.325 1.00 9.17 C ATOM 0 H THR A 7 -4.581 -7.646 5.773 1.00 7.41 H new ATOM 0 HA THR A 7 -5.945 -5.135 5.087 1.00 7.48 H new ATOM 0 HB THR A 7 -7.635 -6.474 4.249 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.849 -8.618 4.701 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.415 -7.896 2.617 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.600 -6.332 2.849 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.960 -7.794 3.636 1.00 9.17 H new ATOM 128 N LEU A 8 -7.916 -5.424 7.018 1.00 9.84 N ATOM 129 CA LEU A 8 -8.811 -5.232 8.128 1.00 14.15 C ATOM 130 C LEU A 8 -9.179 -6.564 8.827 1.00 17.37 C ATOM 131 O LEU A 8 -9.356 -6.580 10.043 1.00 17.01 O ATOM 132 CB LEU A 8 -10.066 -4.496 7.603 1.00 16.63 C ATOM 133 CG LEU A 8 -11.042 -4.066 8.764 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.286 -3.358 9.896 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.194 -3.179 8.245 1.00 18.59 C ATOM 0 H LEU A 8 -8.364 -5.062 6.176 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.316 -4.632 8.892 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.758 -3.612 7.045 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.598 -5.143 6.906 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.480 -4.980 9.165 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.988 -3.075 10.680 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.534 -4.031 10.308 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.799 -2.465 9.505 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.844 -2.904 9.076 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.783 -2.277 7.792 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.770 -3.729 7.500 1.00 18.59 H new ATOM 147 N THR A 9 -9.335 -7.670 8.107 1.00 18.33 N ATOM 148 CA THR A 9 -9.756 -8.914 8.586 1.00 19.24 C ATOM 149 C THR A 9 -8.605 -9.822 9.095 1.00 19.48 C ATOM 150 O THR A 9 -8.775 -10.951 9.492 1.00 23.14 O ATOM 151 CB THR A 9 -10.444 -9.747 7.486 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.660 -9.924 6.314 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.756 -9.049 7.101 1.00 19.70 C ATOM 0 H THR A 9 -9.148 -7.686 7.104 1.00 18.33 H new ATOM 0 HA THR A 9 -10.426 -8.649 9.404 1.00 19.24 H new ATOM 0 HB THR A 9 -10.608 -10.742 7.900 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.160 -10.461 5.664 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.259 -9.623 6.323 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.402 -8.980 7.976 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.540 -8.047 6.730 1.00 19.70 H new ATOM 161 N GLY A 10 -7.417 -9.153 9.057 1.00 19.43 N ATOM 162 CA GLY A 10 -6.184 -9.850 9.397 1.00 18.74 C ATOM 163 C GLY A 10 -5.430 -10.492 8.231 1.00 17.62 C ATOM 164 O GLY A 10 -4.304 -10.938 8.385 1.00 19.74 O ATOM 0 H GLY A 10 -7.307 -8.171 8.803 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.516 -9.144 9.890 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.419 -10.628 10.124 1.00 18.74 H new ATOM 168 N LYS A 11 -6.039 -10.577 7.047 1.00 13.56 N ATOM 169 CA LYS A 11 -5.543 -11.153 5.805 1.00 11.91 C ATOM 170 C LYS A 11 -4.267 -10.530 5.219 1.00 10.18 C ATOM 171 O LYS A 11 -4.059 -9.283 5.330 1.00 9.10 O ATOM 172 CB LYS A 11 -6.543 -11.338 4.621 1.00 13.43 C ATOM 173 CG LYS A 11 -6.230 -12.383 3.565 1.00 16.69 C ATOM 174 CD LYS A 11 -7.206 -12.126 2.319 1.00 17.92 C ATOM 175 CE LYS A 11 -6.909 -13.009 1.154 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.071 -12.942 0.193 1.00 21.93 N ATOM 0 H LYS A 11 -6.982 -10.207 6.927 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.326 -12.138 6.219 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.518 -11.577 5.045 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.642 -10.377 4.117 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.187 -12.313 3.255 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.377 -13.386 3.965 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.237 -12.284 2.634 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.123 -11.084 2.009 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.991 -12.689 0.661 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.752 -14.035 1.487 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.943 -13.652 -0.556 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.956 -13.134 0.704 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.115 -11.994 -0.232 1.00 21.93 H new ATOM 190 N THR A 12 -3.354 -11.397 4.737 1.00 9.63 N ATOM 191 CA THR A 12 -2.038 -10.846 4.513 1.00 9.85 C ATOM 192 C THR A 12 -1.864 -11.167 3.070 1.00 11.66 C ATOM 193 O THR A 12 -2.300 -12.260 2.621 1.00 12.33 O ATOM 194 CB THR A 12 -0.919 -11.380 5.368 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.154 -11.296 6.774 1.00 10.91 O ATOM 196 CG2 THR A 12 0.344 -10.634 5.100 1.00 9.63 C ATOM 0 H THR A 12 -3.494 -12.383 4.518 1.00 9.63 H new ATOM 0 HA THR A 12 -1.981 -9.792 4.786 1.00 9.85 H new ATOM 0 HB THR A 12 -0.849 -12.433 5.095 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.384 -11.663 7.257 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.142 -11.033 5.726 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.616 -10.745 4.050 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.198 -9.578 5.327 1.00 9.63 H new ATOM 204 N ILE A 13 -1.448 -10.149 2.267 1.00 10.42 N ATOM 205 CA ILE A 13 -1.304 -10.386 0.804 1.00 11.84 C ATOM 206 C ILE A 13 0.140 -10.069 0.473 1.00 10.55 C ATOM 207 O ILE A 13 0.726 -9.089 0.961 1.00 11.92 O ATOM 208 CB ILE A 13 -2.369 -9.558 0.031 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.885 -8.277 0.748 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.494 -10.553 -0.332 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.644 -7.343 -0.227 1.00 16.46 C ATOM 0 H ILE A 13 -1.218 -9.207 2.584 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.500 -11.414 0.499 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.909 -9.124 -0.857 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.544 -8.560 1.569 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -2.043 -7.740 1.185 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.278 -10.031 -0.880 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.087 -11.351 -0.953 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.911 -10.979 0.580 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.989 -6.459 0.310 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.977 -7.040 -1.034 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.501 -7.872 -0.644 1.00 16.46 H new ATOM 223 N THR A 14 0.819 -10.982 -0.297 1.00 9.39 N ATOM 224 CA THR A 14 2.226 -10.709 -0.664 1.00 9.63 C ATOM 225 C THR A 14 2.249 -9.927 -1.952 1.00 11.20 C ATOM 226 O THR A 14 1.635 -10.295 -2.954 1.00 11.63 O ATOM 227 CB THR A 14 3.112 -11.957 -0.979 1.00 10.38 C ATOM 228 OG1 THR A 14 3.127 -12.745 0.171 1.00 16.30 O ATOM 229 CG2 THR A 14 4.591 -11.495 -1.193 1.00 11.66 C ATOM 0 H THR A 14 0.433 -11.857 -0.650 1.00 9.39 H new ATOM 0 HA THR A 14 2.627 -10.204 0.215 1.00 9.63 H new ATOM 0 HB THR A 14 2.728 -12.478 -1.856 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.597 -12.269 0.887 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.215 -12.361 -1.413 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.636 -10.794 -2.027 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.954 -11.007 -0.289 1.00 11.66 H new ATOM 237 N LEU A 15 2.929 -8.752 -1.961 1.00 8.29 N ATOM 238 CA LEU A 15 3.067 -7.974 -3.127 1.00 9.03 C ATOM 239 C LEU A 15 4.513 -7.990 -3.576 1.00 8.59 C ATOM 240 O LEU A 15 5.381 -7.941 -2.771 1.00 7.79 O ATOM 241 CB LEU A 15 2.645 -6.504 -2.926 1.00 11.08 C ATOM 242 CG LEU A 15 1.126 -6.261 -3.154 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.185 -6.796 -2.079 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.861 -4.792 -3.439 1.00 15.27 C ATOM 0 H LEU A 15 3.382 -8.354 -1.138 1.00 8.29 H new ATOM 0 HA LEU A 15 2.408 -8.415 -3.875 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.907 -6.193 -1.915 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.213 -5.874 -3.610 1.00 11.08 H new ATOM 0 HG LEU A 15 0.882 -6.866 -4.027 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.845 -6.566 -2.350 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.305 -7.876 -1.995 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.422 -6.329 -1.123 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.207 -4.639 -3.596 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.193 -4.191 -2.592 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.406 -4.491 -4.333 1.00 15.27 H new ATOM 256 N GLU A 16 4.810 -8.057 -4.960 1.00 11.04 N ATOM 257 CA GLU A 16 6.065 -7.979 -5.572 1.00 11.50 C ATOM 258 C GLU A 16 6.206 -6.633 -6.310 1.00 10.13 C ATOM 259 O GLU A 16 5.500 -6.287 -7.238 1.00 9.83 O ATOM 260 CB GLU A 16 6.392 -9.151 -6.500 1.00 17.22 C ATOM 261 CG GLU A 16 7.735 -8.996 -7.316 1.00 23.33 C ATOM 262 CD GLU A 16 8.219 -10.242 -8.129 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.292 -10.894 -8.727 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.422 -10.532 -8.050 1.00 28.90 O ATOM 0 H GLU A 16 4.066 -8.176 -5.648 1.00 11.04 H new ATOM 0 HA GLU A 16 6.799 -8.043 -4.769 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.448 -10.062 -5.905 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.569 -9.280 -7.203 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.616 -8.164 -8.010 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.525 -8.719 -6.618 1.00 23.33 H new ATOM 271 N VAL A 17 7.153 -5.827 -5.795 1.00 8.99 N ATOM 272 CA VAL A 17 7.411 -4.484 -6.170 1.00 8.85 C ATOM 273 C VAL A 17 8.951 -4.216 -6.264 1.00 8.04 C ATOM 274 O VAL A 17 9.800 -4.969 -5.786 1.00 8.99 O ATOM 275 CB VAL A 17 6.844 -3.552 -5.148 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.298 -3.541 -5.243 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.321 -3.845 -3.683 1.00 10.54 C ATOM 0 H VAL A 17 7.783 -6.148 -5.060 1.00 8.99 H new ATOM 0 HA VAL A 17 6.949 -4.317 -7.143 1.00 8.85 H new ATOM 0 HB VAL A 17 7.232 -2.561 -5.381 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.892 -2.860 -4.495 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.997 -3.210 -6.237 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.915 -4.546 -5.064 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.866 -3.126 -3.002 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.023 -4.854 -3.398 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.406 -3.759 -3.630 1.00 10.54 H new ATOM 287 N GLU A 18 9.329 -3.097 -6.881 1.00 7.29 N ATOM 288 CA GLU A 18 10.708 -2.601 -6.848 1.00 7.08 C ATOM 289 C GLU A 18 10.905 -1.551 -5.744 1.00 6.45 C ATOM 290 O GLU A 18 9.924 -1.104 -5.211 1.00 5.28 O ATOM 291 CB GLU A 18 11.156 -2.068 -8.259 1.00 10.28 C ATOM 292 CG GLU A 18 10.942 -3.112 -9.314 1.00 12.65 C ATOM 293 CD GLU A 18 11.917 -4.220 -9.142 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.026 -4.128 -8.519 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.468 -5.339 -9.517 1.00 14.33 O ATOM 0 H GLU A 18 8.691 -2.509 -7.417 1.00 7.29 H new ATOM 0 HA GLU A 18 11.357 -3.442 -6.601 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.592 -1.170 -8.510 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.208 -1.785 -8.229 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.925 -3.499 -9.252 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.055 -2.669 -10.303 1.00 12.65 H new ATOM 302 N PRO A 19 12.036 -1.050 -5.380 1.00 7.24 N ATOM 303 CA PRO A 19 12.109 -0.023 -4.394 1.00 7.07 C ATOM 304 C PRO A 19 11.689 1.358 -4.978 1.00 6.65 C ATOM 305 O PRO A 19 11.380 2.319 -4.227 1.00 6.37 O ATOM 306 CB PRO A 19 13.622 0.062 -3.970 1.00 7.61 C ATOM 307 CG PRO A 19 14.346 -0.459 -5.221 1.00 8.16 C ATOM 308 CD PRO A 19 13.382 -1.494 -5.744 1.00 7.49 C ATOM 0 HA PRO A 19 11.442 -0.253 -3.563 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.918 1.082 -3.725 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.833 -0.551 -3.094 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.524 0.334 -5.947 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.316 -0.893 -4.978 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.475 -1.596 -6.825 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.595 -2.472 -5.312 1.00 7.49 H new ATOM 316 N SER A 20 11.715 1.379 -6.329 1.00 6.80 N ATOM 317 CA SER A 20 11.611 2.542 -7.146 1.00 6.28 C ATOM 318 C SER A 20 10.244 2.714 -7.710 1.00 8.45 C ATOM 319 O SER A 20 9.978 3.672 -8.395 1.00 7.26 O ATOM 320 CB SER A 20 12.618 2.464 -8.353 1.00 8.57 C ATOM 321 OG SER A 20 12.931 1.119 -8.769 1.00 11.13 O ATOM 0 H SER A 20 11.815 0.525 -6.878 1.00 6.80 H new ATOM 0 HA SER A 20 11.843 3.389 -6.500 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.197 3.007 -9.200 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.542 2.972 -8.076 1.00 8.57 H new ATOM 0 HG SER A 20 13.558 1.147 -9.521 1.00 11.13 H new ATOM 327 N ASP A 21 9.294 1.812 -7.395 1.00 7.50 N ATOM 328 CA ASP A 21 7.916 1.854 -7.614 1.00 7.70 C ATOM 329 C ASP A 21 7.269 2.917 -6.738 1.00 7.08 C ATOM 330 O ASP A 21 7.503 3.133 -5.544 1.00 8.11 O ATOM 331 CB ASP A 21 7.196 0.433 -7.413 1.00 11.00 C ATOM 332 CG ASP A 21 7.102 -0.442 -8.607 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.524 0.066 -9.572 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.527 -1.626 -8.537 1.00 14.36 O ATOM 0 H ASP A 21 9.555 0.946 -6.924 1.00 7.50 H new ATOM 0 HA ASP A 21 7.777 2.119 -8.662 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.729 -0.111 -6.634 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.187 0.613 -7.043 1.00 11.00 H new ATOM 339 N THR A 22 6.281 3.665 -7.286 1.00 5.37 N ATOM 340 CA THR A 22 5.546 4.604 -6.576 1.00 6.01 C ATOM 341 C THR A 22 4.436 3.971 -5.711 1.00 8.01 C ATOM 342 O THR A 22 3.969 2.840 -5.988 1.00 8.11 O ATOM 343 CB THR A 22 4.907 5.726 -7.352 1.00 8.92 C ATOM 344 OG1 THR A 22 4.118 5.193 -8.409 1.00 10.22 O ATOM 345 CG2 THR A 22 6.006 6.662 -7.948 1.00 9.65 C ATOM 0 H THR A 22 6.006 3.590 -8.265 1.00 5.37 H new ATOM 0 HA THR A 22 6.340 5.046 -5.974 1.00 6.01 H new ATOM 0 HB THR A 22 4.273 6.301 -6.678 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.703 5.926 -8.910 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.532 7.469 -8.507 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.604 7.082 -7.139 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.650 6.088 -8.615 1.00 9.65 H new ATOM 353 N ILE A 23 3.962 4.733 -4.727 1.00 8.32 N ATOM 354 CA ILE A 23 2.931 4.315 -3.744 1.00 9.92 C ATOM 355 C ILE A 23 1.676 3.977 -4.536 1.00 10.01 C ATOM 356 O ILE A 23 0.970 2.963 -4.306 1.00 8.71 O ATOM 357 CB ILE A 23 2.696 5.324 -2.643 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.023 5.642 -1.899 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.691 4.692 -1.615 1.00 10.90 C ATOM 360 CD1 ILE A 23 5.102 4.578 -1.557 1.00 12.30 C ATOM 0 H ILE A 23 4.286 5.688 -4.576 1.00 8.32 H new ATOM 0 HA ILE A 23 3.275 3.438 -3.196 1.00 9.92 H new ATOM 0 HB ILE A 23 2.303 6.245 -3.074 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.527 6.408 -2.488 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.739 6.103 -0.953 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.503 5.400 -0.808 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.753 4.459 -2.119 1.00 10.90 H new ATOM 0 HG23 ILE A 23 2.118 3.778 -1.203 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.932 5.056 -1.036 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.666 3.810 -0.918 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.466 4.120 -2.477 1.00 12.30 H new ATOM 372 N GLU A 24 1.310 4.757 -5.628 1.00 9.54 N ATOM 373 CA GLU A 24 0.271 4.375 -6.606 1.00 11.81 C ATOM 374 C GLU A 24 0.413 2.928 -7.156 1.00 11.14 C ATOM 375 O GLU A 24 -0.552 2.168 -7.126 1.00 10.62 O ATOM 376 CB GLU A 24 0.227 5.410 -7.778 1.00 19.24 C ATOM 377 CG GLU A 24 -1.111 5.323 -8.608 1.00 27.76 C ATOM 378 CD GLU A 24 -0.997 6.200 -9.872 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.346 7.392 -9.844 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.608 5.599 -10.918 1.00 34.80 O ATOM 0 H GLU A 24 1.741 5.659 -5.830 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.674 4.388 -6.063 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.336 6.417 -7.374 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.075 5.239 -8.442 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.310 4.289 -8.888 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.951 5.655 -7.998 1.00 27.76 H new ATOM 387 N ASN A 25 1.615 2.486 -7.508 1.00 9.43 N ATOM 388 CA ASN A 25 1.824 1.142 -8.003 1.00 10.96 C ATOM 389 C ASN A 25 1.600 -0.021 -6.997 1.00 9.68 C ATOM 390 O ASN A 25 1.187 -1.108 -7.365 1.00 9.33 O ATOM 391 CB ASN A 25 3.224 0.951 -8.600 1.00 16.78 C ATOM 392 CG ASN A 25 3.292 1.795 -9.906 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.279 2.242 -10.432 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.463 1.930 -10.525 1.00 24.70 N ATOM 0 H ASN A 25 2.463 3.050 -7.457 1.00 9.43 H new ATOM 0 HA ASN A 25 1.040 1.072 -8.757 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.990 1.274 -7.894 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.410 -0.102 -8.813 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.511 2.402 -11.428 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.312 1.562 -10.096 1.00 24.70 H new ATOM 401 N VAL A 26 1.940 0.210 -5.702 1.00 6.52 N ATOM 402 CA VAL A 26 1.481 -0.655 -4.663 1.00 5.53 C ATOM 403 C VAL A 26 -0.065 -0.612 -4.506 1.00 4.42 C ATOM 404 O VAL A 26 -0.700 -1.599 -4.338 1.00 3.40 O ATOM 405 CB VAL A 26 2.136 -0.310 -3.370 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.840 -1.501 -2.425 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.670 -0.062 -3.523 1.00 8.12 C ATOM 0 H VAL A 26 2.524 0.985 -5.388 1.00 6.52 H new ATOM 0 HA VAL A 26 1.755 -1.671 -4.946 1.00 5.53 H new ATOM 0 HB VAL A 26 1.744 0.627 -2.974 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.294 -1.315 -1.452 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.762 -1.613 -2.307 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.256 -2.415 -2.850 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.097 0.186 -2.551 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.147 -0.962 -3.910 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.838 0.764 -4.214 1.00 8.12 H new ATOM 417 N LYS A 27 -0.745 0.553 -4.657 1.00 2.64 N ATOM 418 CA LYS A 27 -2.236 0.536 -4.694 1.00 4.14 C ATOM 419 C LYS A 27 -2.767 -0.236 -5.854 1.00 5.58 C ATOM 420 O LYS A 27 -3.756 -0.925 -5.785 1.00 4.11 O ATOM 421 CB LYS A 27 -2.893 1.901 -4.575 1.00 3.97 C ATOM 422 CG LYS A 27 -2.636 2.697 -3.256 1.00 7.45 C ATOM 423 CD LYS A 27 -3.491 4.013 -3.251 1.00 9.02 C ATOM 424 CE LYS A 27 -3.491 4.830 -1.941 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.038 6.204 -2.200 1.00 15.47 N ATOM 0 H LYS A 27 -0.316 1.473 -4.751 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.521 0.008 -3.784 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.557 2.513 -5.412 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.969 1.770 -4.688 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.894 2.082 -2.394 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.577 2.941 -3.168 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.132 4.656 -4.054 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.522 3.751 -3.490 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.094 4.325 -1.186 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.478 4.900 -1.545 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.821 6.822 -1.392 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.603 6.594 -3.061 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.069 6.149 -2.327 1.00 15.47 H new ATOM 439 N ALA A 28 -2.149 -0.094 -7.010 1.00 6.61 N ATOM 440 CA ALA A 28 -2.570 -0.818 -8.175 1.00 7.74 C ATOM 441 C ALA A 28 -2.484 -2.281 -8.120 1.00 9.17 C ATOM 442 O ALA A 28 -3.303 -3.018 -8.810 1.00 11.45 O ATOM 443 CB ALA A 28 -1.860 -0.281 -9.474 1.00 7.68 C ATOM 0 H ALA A 28 -1.350 0.522 -7.159 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.641 -0.615 -8.208 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.202 -0.851 -10.338 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.106 0.772 -9.614 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.781 -0.391 -9.371 1.00 7.68 H new ATOM 449 N LYS A 29 -1.437 -2.787 -7.395 1.00 8.96 N ATOM 450 CA LYS A 29 -1.257 -4.244 -7.165 1.00 7.90 C ATOM 451 C LYS A 29 -2.105 -4.840 -5.999 1.00 6.92 C ATOM 452 O LYS A 29 -2.402 -6.069 -5.903 1.00 6.87 O ATOM 453 CB LYS A 29 0.267 -4.419 -6.900 1.00 10.28 C ATOM 454 CG LYS A 29 1.214 -4.297 -8.083 1.00 14.94 C ATOM 455 CD LYS A 29 2.676 -4.626 -7.733 1.00 19.69 C ATOM 456 CE LYS A 29 3.649 -4.211 -8.868 1.00 22.63 C ATOM 457 NZ LYS A 29 3.493 -5.109 -10.011 1.00 24.98 N ATOM 0 H LYS A 29 -0.716 -2.207 -6.967 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.615 -4.797 -8.033 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.564 -3.679 -6.156 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.418 -5.401 -6.451 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.879 -4.965 -8.877 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.162 -3.282 -8.477 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.953 -4.114 -6.812 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.773 -5.695 -7.545 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.450 -3.183 -9.172 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.677 -4.243 -8.507 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.148 -4.825 -10.767 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.705 -6.084 -9.718 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.515 -5.058 -10.362 1.00 24.98 H new ATOM 471 N ILE A 30 -2.575 -3.996 -5.009 1.00 4.57 N ATOM 472 CA ILE A 30 -3.593 -4.499 -4.076 1.00 5.58 C ATOM 473 C ILE A 30 -4.940 -4.789 -4.768 1.00 7.26 C ATOM 474 O ILE A 30 -5.707 -5.693 -4.413 1.00 9.46 O ATOM 475 CB ILE A 30 -3.614 -3.438 -2.958 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.333 -3.558 -2.100 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.965 -3.523 -2.228 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.979 -2.391 -1.259 1.00 2.00 C ATOM 0 H ILE A 30 -2.274 -3.033 -4.861 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.366 -5.480 -3.659 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.569 -2.417 -3.336 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.441 -4.425 -1.449 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.496 -3.762 -2.767 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.996 -2.778 -1.433 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.773 -3.334 -2.935 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.084 -4.518 -1.798 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.062 -2.604 -0.709 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.827 -1.518 -1.894 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.787 -2.192 -0.555 1.00 2.00 H new ATOM 490 N GLN A 31 -5.314 -3.992 -5.772 1.00 7.06 N ATOM 491 CA GLN A 31 -6.478 -4.252 -6.622 1.00 8.67 C ATOM 492 C GLN A 31 -6.332 -5.586 -7.295 1.00 10.90 C ATOM 493 O GLN A 31 -7.272 -6.306 -7.429 1.00 9.63 O ATOM 494 CB GLN A 31 -6.598 -3.116 -7.682 1.00 9.12 C ATOM 495 CG GLN A 31 -7.999 -3.119 -8.301 1.00 10.76 C ATOM 496 CD GLN A 31 -8.237 -1.970 -9.295 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.271 -1.277 -9.648 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.472 -1.869 -9.765 1.00 14.76 N ATOM 0 H GLN A 31 -4.812 -3.139 -6.020 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.382 -4.272 -6.014 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.400 -2.151 -7.216 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.848 -3.254 -8.461 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.159 -4.069 -8.812 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.739 -3.057 -7.503 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.204 -2.486 -9.412 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.691 -1.175 -10.480 1.00 14.76 H new ATOM 507 N ASP A 32 -5.096 -5.989 -7.697 1.00 10.93 N ATOM 508 CA ASP A 32 -4.875 -7.301 -8.365 1.00 14.01 C ATOM 509 C ASP A 32 -5.047 -8.539 -7.410 1.00 14.04 C ATOM 510 O ASP A 32 -5.504 -9.616 -7.883 1.00 13.39 O ATOM 511 CB ASP A 32 -3.492 -7.195 -8.982 1.00 18.01 C ATOM 512 CG ASP A 32 -3.124 -8.456 -9.853 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.514 -8.466 -11.053 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.520 -9.398 -9.267 1.00 26.29 O ATOM 0 H ASP A 32 -4.250 -5.434 -7.573 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.636 -7.492 -9.122 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.442 -6.301 -9.603 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.752 -7.075 -8.190 1.00 18.01 H new ATOM 519 N LYS A 33 -4.749 -8.384 -6.131 1.00 14.22 N ATOM 520 CA LYS A 33 -5.096 -9.216 -5.009 1.00 14.00 C ATOM 521 C LYS A 33 -6.573 -9.239 -4.510 1.00 12.37 C ATOM 522 O LYS A 33 -7.110 -10.351 -4.368 1.00 12.17 O ATOM 523 CB LYS A 33 -4.193 -8.675 -3.855 1.00 18.62 C ATOM 524 CG LYS A 33 -2.734 -8.837 -4.081 1.00 24.00 C ATOM 525 CD LYS A 33 -2.159 -10.228 -3.983 1.00 27.61 C ATOM 526 CE LYS A 33 -0.866 -10.335 -4.756 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.372 -11.691 -4.683 1.00 30.06 N ATOM 0 H LYS A 33 -4.197 -7.581 -5.829 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.951 -10.249 -5.326 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.409 -7.617 -3.709 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.463 -9.186 -2.931 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.503 -8.448 -5.073 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.211 -8.207 -3.362 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.983 -10.480 -2.937 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.878 -10.951 -4.369 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.027 -10.051 -5.796 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.128 -9.645 -4.348 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.474 -11.720 -4.078 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.107 -12.307 -4.281 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.127 -12.023 -5.638 1.00 30.06 H new ATOM 541 N GLU A 34 -7.300 -8.088 -4.311 1.00 10.11 N ATOM 542 CA GLU A 34 -8.612 -8.035 -3.630 1.00 10.07 C ATOM 543 C GLU A 34 -9.671 -7.250 -4.305 1.00 9.32 C ATOM 544 O GLU A 34 -10.843 -7.327 -3.921 1.00 11.61 O ATOM 545 CB GLU A 34 -8.517 -7.479 -2.180 1.00 14.77 C ATOM 546 CG GLU A 34 -7.484 -8.177 -1.234 1.00 18.75 C ATOM 547 CD GLU A 34 -8.153 -9.406 -0.692 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.041 -9.212 0.195 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.900 -10.567 -1.091 1.00 25.19 O ATOM 0 H GLU A 34 -6.976 -7.174 -4.627 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.900 -9.086 -3.649 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.268 -6.419 -2.236 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.503 -7.550 -1.721 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.577 -8.439 -1.779 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.188 -7.509 -0.425 1.00 18.75 H new ATOM 556 N GLY A 35 -9.358 -6.529 -5.413 1.00 7.22 N ATOM 557 CA GLY A 35 -10.410 -5.975 -6.243 1.00 6.29 C ATOM 558 C GLY A 35 -10.873 -4.646 -5.733 1.00 6.93 C ATOM 559 O GLY A 35 -11.838 -4.004 -6.295 1.00 7.41 O ATOM 0 H GLY A 35 -8.408 -6.333 -5.729 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.048 -5.867 -7.266 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.252 -6.667 -6.274 1.00 6.29 H new ATOM 563 N ILE A 36 -10.241 -4.197 -4.663 1.00 5.86 N ATOM 564 CA ILE A 36 -10.394 -2.872 -4.076 1.00 6.07 C ATOM 565 C ILE A 36 -9.798 -1.839 -5.078 1.00 6.36 C ATOM 566 O ILE A 36 -8.562 -1.865 -5.305 1.00 6.18 O ATOM 567 CB ILE A 36 -9.679 -2.804 -2.780 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.139 -3.751 -1.695 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.013 -1.330 -2.251 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.206 -3.810 -0.490 1.00 9.49 C ATOM 0 H ILE A 36 -9.573 -4.774 -4.152 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.446 -2.655 -3.890 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.636 -3.064 -2.962 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.131 -3.449 -1.360 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.236 -4.752 -2.117 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.529 -1.171 -1.288 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.647 -0.595 -2.967 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.091 -1.220 -2.137 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.604 -4.510 0.244 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.219 -4.142 -0.810 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.128 -2.820 -0.042 1.00 9.49 H new ATOM 582 N PRO A 37 -10.518 -0.871 -5.697 1.00 8.65 N ATOM 583 CA PRO A 37 -9.829 0.105 -6.608 1.00 9.18 C ATOM 584 C PRO A 37 -8.943 1.025 -5.842 1.00 9.85 C ATOM 585 O PRO A 37 -9.307 1.400 -4.730 1.00 8.51 O ATOM 586 CB PRO A 37 -10.994 0.775 -7.273 1.00 11.42 C ATOM 587 CG PRO A 37 -12.217 0.699 -6.370 1.00 9.27 C ATOM 588 CD PRO A 37 -11.937 -0.584 -5.522 1.00 8.33 C ATOM 0 HA PRO A 37 -9.145 -0.338 -7.331 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.753 1.816 -7.487 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.205 0.294 -8.228 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.314 1.586 -5.743 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.140 0.612 -6.944 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.176 -0.419 -4.472 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.550 -1.419 -5.861 1.00 8.33 H new ATOM 596 N PRO A 38 -7.890 1.586 -6.383 1.00 8.71 N ATOM 597 CA PRO A 38 -7.073 2.622 -5.741 1.00 9.08 C ATOM 598 C PRO A 38 -7.812 3.827 -5.094 1.00 9.28 C ATOM 599 O PRO A 38 -7.216 4.312 -4.141 1.00 6.50 O ATOM 600 CB PRO A 38 -6.113 3.009 -6.881 1.00 10.31 C ATOM 601 CG PRO A 38 -5.913 1.758 -7.722 1.00 10.81 C ATOM 602 CD PRO A 38 -7.198 0.990 -7.522 1.00 12.00 C ATOM 0 HA PRO A 38 -6.590 2.243 -4.840 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.530 3.817 -7.482 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.163 3.365 -6.483 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.750 2.002 -8.772 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.047 1.185 -7.390 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.818 1.040 -8.417 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.990 -0.064 -7.336 1.00 12.00 H new ATOM 610 N ASP A 39 -8.950 4.289 -5.631 1.00 11.20 N ATOM 611 CA ASP A 39 -9.866 5.259 -5.135 1.00 14.96 C ATOM 612 C ASP A 39 -10.505 5.057 -3.775 1.00 13.99 C ATOM 613 O ASP A 39 -10.845 6.009 -3.039 1.00 13.75 O ATOM 614 CB ASP A 39 -11.090 5.390 -6.130 1.00 24.16 C ATOM 615 CG ASP A 39 -10.501 6.000 -7.450 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.025 7.165 -7.430 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.689 5.354 -8.507 1.00 35.55 O ATOM 0 H ASP A 39 -9.264 3.931 -6.533 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.213 6.126 -5.040 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.548 4.419 -6.318 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.866 6.033 -5.714 1.00 24.16 H new ATOM 622 N GLN A 40 -10.679 3.753 -3.383 1.00 11.60 N ATOM 623 CA GLN A 40 -11.201 3.362 -2.093 1.00 10.76 C ATOM 624 C GLN A 40 -10.127 2.803 -1.261 1.00 8.01 C ATOM 625 O GLN A 40 -10.363 2.107 -0.222 1.00 8.96 O ATOM 626 CB GLN A 40 -12.139 2.150 -2.309 1.00 11.14 C ATOM 627 CG GLN A 40 -13.408 2.563 -3.106 1.00 14.85 C ATOM 628 CD GLN A 40 -14.559 1.537 -3.175 1.00 16.11 C ATOM 629 OE1 GLN A 40 -15.105 1.253 -2.076 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.005 1.085 -4.354 1.00 18.16 N ATOM 0 H GLN A 40 -10.449 2.961 -3.983 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.675 4.232 -1.639 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.607 1.365 -2.847 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.430 1.734 -1.344 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.799 3.481 -2.668 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.105 2.801 -4.126 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.525 1.346 -5.215 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.825 0.480 -4.391 1.00 18.16 H new ATOM 639 N GLN A 41 -8.846 3.141 -1.521 1.00 6.52 N ATOM 640 CA GLN A 41 -7.715 2.673 -0.715 1.00 3.87 C ATOM 641 C GLN A 41 -6.976 3.886 -0.094 1.00 4.79 C ATOM 642 O GLN A 41 -6.656 4.905 -0.747 1.00 6.34 O ATOM 643 CB GLN A 41 -6.623 2.041 -1.561 1.00 4.20 C ATOM 644 CG GLN A 41 -6.985 0.669 -2.215 1.00 3.20 C ATOM 645 CD GLN A 41 -5.738 -0.027 -2.838 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.621 -0.116 -2.294 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.965 -0.684 -4.023 1.00 7.13 N ATOM 0 H GLN A 41 -8.575 3.746 -2.296 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.146 1.976 0.003 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.351 2.740 -2.352 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.739 1.904 -0.938 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.428 0.015 -1.464 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.738 0.823 -2.988 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.876 -0.618 -4.477 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.222 -1.238 -4.449 1.00 7.13 H new ATOM 656 N ARG A 42 -6.627 3.720 1.183 1.00 5.73 N ATOM 657 CA ARG A 42 -5.686 4.518 1.954 1.00 6.97 C ATOM 658 C ARG A 42 -4.600 3.645 2.428 1.00 7.15 C ATOM 659 O ARG A 42 -4.834 2.516 2.750 1.00 7.33 O ATOM 660 CB ARG A 42 -6.475 5.190 3.058 1.00 13.23 C ATOM 661 CG ARG A 42 -5.566 6.024 3.988 1.00 21.27 C ATOM 662 CD ARG A 42 -6.364 6.936 5.038 1.00 26.14 C ATOM 663 NE ARG A 42 -7.305 7.940 4.409 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.486 8.344 4.940 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.860 7.869 6.110 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.159 9.355 4.364 1.00 36.39 N ATOM 0 H ARG A 42 -7.027 2.967 1.742 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.204 5.301 1.369 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.236 5.835 2.620 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.997 4.433 3.644 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.908 5.349 4.536 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.929 6.664 3.377 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.936 6.288 5.702 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.643 7.471 5.657 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.029 8.345 3.514 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.264 7.206 6.605 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.746 8.164 6.521 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.781 9.812 3.534 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.048 9.665 4.757 1.00 36.39 H new ATOM 680 N LEU A 43 -3.356 4.150 2.417 1.00 4.65 N ATOM 681 CA LEU A 43 -2.229 3.211 2.735 1.00 3.51 C ATOM 682 C LEU A 43 -1.444 3.778 3.852 1.00 5.56 C ATOM 683 O LEU A 43 -1.082 4.958 3.919 1.00 4.19 O ATOM 684 CB LEU A 43 -1.257 2.924 1.521 1.00 3.74 C ATOM 685 CG LEU A 43 -1.736 2.018 0.392 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.572 1.475 -0.440 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.692 0.863 0.772 1.00 6.41 C ATOM 0 H LEU A 43 -3.100 5.116 2.212 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.685 2.255 2.994 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.987 3.884 1.081 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.343 2.490 1.926 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.348 2.698 -0.201 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.959 0.835 -1.233 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.021 2.306 -0.881 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.094 0.897 0.200 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.954 0.298 -0.123 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.199 0.203 1.486 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.597 1.272 1.221 1.00 6.41 H new ATOM 699 N ILE A 44 -1.109 2.895 4.756 1.00 4.58 N ATOM 700 CA ILE A 44 -0.451 3.214 6.060 1.00 5.55 C ATOM 701 C ILE A 44 0.866 2.438 6.176 1.00 5.46 C ATOM 702 O ILE A 44 0.937 1.160 5.993 1.00 6.04 O ATOM 703 CB ILE A 44 -1.349 2.953 7.286 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.679 3.510 7.070 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.633 3.432 8.614 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.959 4.981 7.069 1.00 13.90 C ATOM 0 H ILE A 44 -1.278 1.897 4.631 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.254 4.286 6.062 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.503 1.882 7.417 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.020 3.130 6.107 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.324 3.073 7.832 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.283 3.239 9.468 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.303 2.887 8.740 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.425 4.500 8.550 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.021 5.149 6.887 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.685 5.404 8.035 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.376 5.462 6.283 1.00 13.90 H new ATOM 718 N PHE A 45 1.905 3.103 6.566 1.00 6.75 N ATOM 719 CA PHE A 45 3.112 2.393 6.961 1.00 4.70 C ATOM 720 C PHE A 45 3.595 2.880 8.309 1.00 6.34 C ATOM 721 O PHE A 45 3.962 4.009 8.402 1.00 5.45 O ATOM 722 CB PHE A 45 4.205 2.627 5.832 1.00 5.51 C ATOM 723 CG PHE A 45 5.459 1.833 6.122 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.450 0.495 6.476 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.653 2.555 5.988 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.699 -0.084 6.709 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.921 1.940 6.201 1.00 6.64 C ATOM 728 CZ PHE A 45 7.965 0.617 6.646 1.00 6.84 C ATOM 0 H PHE A 45 1.959 4.120 6.625 1.00 6.75 H new ATOM 0 HA PHE A 45 2.914 1.326 7.062 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.801 2.335 4.863 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.448 3.688 5.769 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.532 -0.067 6.567 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.611 3.600 5.718 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.723 -1.135 6.955 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.834 2.489 6.021 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.893 0.142 6.928 1.00 6.84 H new ATOM 738 N ALA A 46 3.542 2.031 9.378 1.00 6.53 N ATOM 739 CA ALA A 46 3.992 2.359 10.697 1.00 7.15 C ATOM 740 C ALA A 46 3.417 3.710 11.212 1.00 9.00 C ATOM 741 O ALA A 46 4.156 4.575 11.679 1.00 11.15 O ATOM 742 CB ALA A 46 5.521 2.393 10.862 1.00 8.99 C ATOM 0 H ALA A 46 3.170 1.084 9.307 1.00 6.53 H new ATOM 0 HA ALA A 46 3.606 1.536 11.298 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.770 2.650 11.892 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.935 1.414 10.622 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.943 3.140 10.190 1.00 8.99 H new ATOM 748 N GLY A 47 2.086 3.859 11.088 1.00 9.35 N ATOM 749 CA GLY A 47 1.452 5.001 11.587 1.00 11.68 C ATOM 750 C GLY A 47 1.514 6.264 10.719 1.00 11.14 C ATOM 751 O GLY A 47 0.823 7.270 11.028 1.00 13.93 O ATOM 0 H GLY A 47 1.467 3.182 10.642 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.403 4.759 11.759 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.889 5.235 12.558 1.00 11.68 H new ATOM 755 N LYS A 48 2.229 6.177 9.596 1.00 10.47 N ATOM 756 CA LYS A 48 2.360 7.259 8.730 1.00 8.82 C ATOM 757 C LYS A 48 1.691 6.940 7.401 1.00 7.68 C ATOM 758 O LYS A 48 2.016 5.900 6.757 1.00 6.47 O ATOM 759 CB LYS A 48 3.812 7.559 8.548 1.00 9.74 C ATOM 760 CG LYS A 48 4.086 8.777 7.582 1.00 14.14 C ATOM 761 CD LYS A 48 5.566 9.072 7.332 1.00 16.32 C ATOM 762 CE LYS A 48 6.405 9.244 8.640 1.00 20.04 C ATOM 763 NZ LYS A 48 7.775 9.734 8.294 1.00 23.92 N ATOM 0 H LYS A 48 2.720 5.334 9.296 1.00 10.47 H new ATOM 0 HA LYS A 48 1.870 8.138 9.147 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.256 7.770 9.521 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.311 6.674 8.155 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.602 8.581 6.625 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.617 9.668 8.000 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.994 8.262 6.741 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.650 9.980 6.735 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.913 9.950 9.310 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.470 8.294 9.170 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.333 9.848 9.164 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.243 9.045 7.671 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.703 10.650 7.806 1.00 23.92 H new ATOM 777 N GLN A 49 0.773 7.746 6.920 1.00 8.89 N ATOM 778 CA GLN A 49 0.128 7.589 5.623 1.00 7.18 C ATOM 779 C GLN A 49 1.020 7.845 4.422 1.00 8.23 C ATOM 780 O GLN A 49 1.790 8.810 4.425 1.00 9.70 O ATOM 781 CB GLN A 49 -1.118 8.506 5.585 1.00 11.67 C ATOM 782 CG GLN A 49 -1.854 8.356 4.196 1.00 15.82 C ATOM 783 CD GLN A 49 -3.192 9.090 3.948 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.856 8.852 2.909 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.620 10.000 4.825 1.00 20.67 N ATOM 0 H GLN A 49 0.438 8.561 7.435 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.145 6.537 5.533 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.797 8.245 6.396 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.822 9.544 5.739 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.158 8.681 3.423 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.033 7.293 4.037 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.078 10.191 5.668 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.489 10.505 4.653 1.00 20.67 H new ATOM 794 N LEU A 50 1.005 6.877 3.426 1.00 6.51 N ATOM 795 CA LEU A 50 1.789 6.801 2.219 1.00 7.41 C ATOM 796 C LEU A 50 1.117 7.525 1.036 1.00 8.27 C ATOM 797 O LEU A 50 0.050 7.106 0.539 1.00 8.34 O ATOM 798 CB LEU A 50 2.062 5.380 1.683 1.00 7.13 C ATOM 799 CG LEU A 50 2.799 4.326 2.570 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.791 2.963 1.842 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.206 4.889 2.773 1.00 9.11 C ATOM 0 H LEU A 50 0.372 6.080 3.498 1.00 6.51 H new ATOM 0 HA LEU A 50 2.722 7.264 2.541 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.099 4.950 1.406 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.639 5.488 0.765 1.00 7.13 H new ATOM 0 HG LEU A 50 2.326 4.154 3.537 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.304 2.221 2.454 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.762 2.646 1.674 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.302 3.059 0.884 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.787 4.203 3.389 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.693 5.009 1.805 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.142 5.857 3.270 1.00 9.11 H new ATOM 813 N GLU A 51 1.758 8.611 0.627 1.00 9.43 N ATOM 814 CA GLU A 51 1.408 9.474 -0.504 1.00 11.90 C ATOM 815 C GLU A 51 1.765 8.963 -1.875 1.00 11.49 C ATOM 816 O GLU A 51 2.929 8.822 -2.209 1.00 9.88 O ATOM 817 CB GLU A 51 2.020 10.823 -0.259 1.00 16.56 C ATOM 818 CG GLU A 51 1.649 11.896 -1.342 1.00 26.06 C ATOM 819 CD GLU A 51 2.306 13.234 -0.968 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.907 13.931 0.006 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.292 13.530 -1.708 1.00 33.44 O ATOM 0 H GLU A 51 2.596 8.939 1.107 1.00 9.43 H new ATOM 0 HA GLU A 51 0.319 9.511 -0.535 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.701 11.183 0.719 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.104 10.718 -0.222 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.990 11.571 -2.325 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.567 12.012 -1.402 1.00 26.06 H new ATOM 828 N ASP A 52 0.639 8.720 -2.648 1.00 12.71 N ATOM 829 CA ASP A 52 0.482 8.092 -3.957 1.00 16.56 C ATOM 830 C ASP A 52 1.796 8.370 -4.835 1.00 15.83 C ATOM 831 O ASP A 52 2.493 7.444 -5.264 1.00 17.21 O ATOM 832 CB ASP A 52 -0.802 8.581 -4.787 1.00 21.05 C ATOM 833 CG ASP A 52 -2.009 8.714 -3.908 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.242 9.804 -3.361 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.825 7.757 -3.838 1.00 25.82 O ATOM 0 H ASP A 52 -0.273 9.008 -2.293 1.00 12.71 H new ATOM 0 HA ASP A 52 0.334 7.030 -3.761 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.587 9.540 -5.259 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.011 7.871 -5.588 1.00 21.05 H new ATOM 840 N GLY A 53 2.140 9.630 -5.190 1.00 15.00 N ATOM 841 CA GLY A 53 3.168 9.957 -6.196 1.00 11.77 C ATOM 842 C GLY A 53 4.568 9.820 -5.789 1.00 11.10 C ATOM 843 O GLY A 53 5.500 9.974 -6.602 1.00 11.25 O ATOM 0 H GLY A 53 1.704 10.455 -4.779 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.005 9.320 -7.065 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.009 10.986 -6.520 1.00 11.77 H new ATOM 847 N ARG A 54 4.804 9.424 -4.518 1.00 8.53 N ATOM 848 CA ARG A 54 6.119 9.249 -3.970 1.00 9.05 C ATOM 849 C ARG A 54 6.636 7.797 -4.065 1.00 8.96 C ATOM 850 O ARG A 54 5.847 6.876 -4.332 1.00 11.60 O ATOM 851 CB ARG A 54 6.223 9.547 -2.421 1.00 7.97 C ATOM 852 CG ARG A 54 5.752 10.964 -2.012 1.00 9.62 C ATOM 853 CD ARG A 54 6.095 11.367 -0.592 1.00 12.20 C ATOM 854 NE ARG A 54 5.398 12.611 -0.350 1.00 18.23 N ATOM 855 CZ ARG A 54 5.561 13.381 0.705 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.567 13.134 1.553 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.734 14.394 0.912 1.00 23.38 N ATOM 0 H ARG A 54 4.057 9.220 -3.854 1.00 8.53 H new ATOM 0 HA ARG A 54 6.695 9.953 -4.570 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.630 8.809 -1.880 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.258 9.416 -2.106 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.193 11.689 -2.696 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.671 11.022 -2.139 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.782 10.601 0.117 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.171 11.493 -0.471 1.00 12.20 H new ATOM 0 HE ARG A 54 4.726 12.916 -1.054 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.201 12.354 1.379 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.700 13.726 2.373 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.975 14.575 0.255 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.856 14.994 1.728 1.00 23.38 H new ATOM 871 N THR A 55 7.976 7.522 -3.800 1.00 9.05 N ATOM 872 CA THR A 55 8.598 6.120 -3.950 1.00 9.03 C ATOM 873 C THR A 55 8.470 5.292 -2.704 1.00 8.15 C ATOM 874 O THR A 55 8.293 5.822 -1.598 1.00 5.91 O ATOM 875 CB THR A 55 9.926 5.899 -4.634 1.00 11.15 C ATOM 876 OG1 THR A 55 11.031 6.211 -3.807 1.00 11.95 O ATOM 877 CG2 THR A 55 9.953 6.761 -5.905 1.00 11.71 C ATOM 0 H THR A 55 8.639 8.232 -3.488 1.00 9.05 H new ATOM 0 HA THR A 55 7.943 5.765 -4.745 1.00 9.03 H new ATOM 0 HB THR A 55 10.018 4.840 -4.874 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.151 7.183 -3.774 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.903 6.620 -6.420 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.136 6.464 -6.563 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.838 7.811 -5.635 1.00 11.71 H new ATOM 885 N LEU A 56 8.718 3.990 -2.781 1.00 6.91 N ATOM 886 CA LEU A 56 8.861 3.103 -1.628 1.00 8.29 C ATOM 887 C LEU A 56 10.215 3.453 -0.892 1.00 8.05 C ATOM 888 O LEU A 56 10.298 3.551 0.327 1.00 10.17 O ATOM 889 CB LEU A 56 8.723 1.627 -2.033 1.00 6.60 C ATOM 890 CG LEU A 56 7.298 1.222 -2.326 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.297 -0.235 -2.799 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.381 1.303 -1.090 1.00 8.64 C ATOM 0 H LEU A 56 8.829 3.506 -3.672 1.00 6.91 H new ATOM 0 HA LEU A 56 8.050 3.263 -0.917 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.336 1.440 -2.915 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.115 0.999 -1.233 1.00 6.60 H new ATOM 0 HG LEU A 56 6.917 1.912 -3.079 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.275 -0.546 -3.016 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.903 -0.325 -3.701 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.712 -0.872 -2.018 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.371 1.000 -1.366 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.759 0.640 -0.312 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.363 2.327 -0.717 1.00 8.64 H new ATOM 904 N SER A 57 11.304 3.661 -1.590 1.00 8.92 N ATOM 905 CA SER A 57 12.594 4.141 -1.082 1.00 9.00 C ATOM 906 C SER A 57 12.472 5.474 -0.245 1.00 9.44 C ATOM 907 O SER A 57 13.160 5.602 0.730 1.00 10.91 O ATOM 908 CB SER A 57 13.711 4.240 -2.077 1.00 10.32 C ATOM 909 OG SER A 57 14.987 4.343 -1.482 1.00 13.59 O ATOM 0 H SER A 57 11.329 3.493 -2.596 1.00 8.92 H new ATOM 0 HA SER A 57 12.888 3.330 -0.415 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.690 3.363 -2.724 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.544 5.109 -2.713 1.00 10.32 H new ATOM 0 HG SER A 57 15.670 4.403 -2.182 1.00 13.59 H new ATOM 915 N ASP A 58 11.555 6.392 -0.546 1.00 9.11 N ATOM 916 CA ASP A 58 11.378 7.611 0.144 1.00 7.91 C ATOM 917 C ASP A 58 10.591 7.455 1.420 1.00 9.12 C ATOM 918 O ASP A 58 10.603 8.371 2.206 1.00 8.61 O ATOM 919 CB ASP A 58 10.540 8.578 -0.761 1.00 8.41 C ATOM 920 CG ASP A 58 11.288 8.985 -1.940 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.320 9.639 -1.754 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.908 8.676 -3.104 1.00 11.70 O ATOM 0 H ASP A 58 10.899 6.274 -1.318 1.00 9.11 H new ATOM 0 HA ASP A 58 12.374 7.985 0.379 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.617 8.084 -1.066 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.255 9.460 -0.187 1.00 8.41 H new ATOM 927 N TYR A 59 9.943 6.275 1.695 1.00 7.97 N ATOM 928 CA TYR A 59 9.251 6.017 2.962 1.00 8.45 C ATOM 929 C TYR A 59 9.891 4.941 3.748 1.00 10.98 C ATOM 930 O TYR A 59 9.329 4.465 4.692 1.00 12.95 O ATOM 931 CB TYR A 59 7.774 5.540 2.656 1.00 7.94 C ATOM 932 CG TYR A 59 6.973 6.769 2.459 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.560 7.491 3.592 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.387 7.172 1.206 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.509 8.402 3.537 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.436 8.179 1.151 1.00 6.52 C ATOM 937 CZ TYR A 59 4.943 8.730 2.296 1.00 6.76 C ATOM 938 OH TYR A 59 3.941 9.724 2.197 1.00 7.63 O ATOM 0 H TYR A 59 9.898 5.497 1.037 1.00 7.97 H new ATOM 0 HA TYR A 59 9.282 6.945 3.533 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.745 4.910 1.767 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.379 4.946 3.480 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.072 7.335 4.530 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.694 6.681 0.294 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.132 8.853 4.443 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.083 8.530 0.193 1.00 6.52 H new ATOM 0 HH TYR A 59 3.236 9.544 2.854 1.00 7.63 H new ATOM 948 N ASN A 60 11.152 4.572 3.462 1.00 12.38 N ATOM 949 CA ASN A 60 11.927 3.500 4.080 1.00 13.94 C ATOM 950 C ASN A 60 11.355 2.116 4.033 1.00 14.16 C ATOM 951 O ASN A 60 11.370 1.448 5.073 1.00 14.26 O ATOM 952 CB ASN A 60 12.284 3.890 5.588 1.00 19.23 C ATOM 953 CG ASN A 60 12.846 5.347 5.681 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.436 6.125 6.512 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.872 5.672 4.890 1.00 24.09 N ATOM 0 H ASN A 60 11.688 5.054 2.740 1.00 12.38 H new ATOM 0 HA ASN A 60 12.814 3.430 3.451 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.393 3.801 6.209 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.019 3.189 5.983 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.319 6.584 4.983 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.209 5.008 4.193 1.00 24.09 H new ATOM 962 N ILE A 61 10.738 1.779 2.931 1.00 11.08 N ATOM 963 CA ILE A 61 10.121 0.488 2.674 1.00 11.78 C ATOM 964 C ILE A 61 11.200 -0.439 2.090 1.00 13.74 C ATOM 965 O ILE A 61 11.972 -0.010 1.217 1.00 14.60 O ATOM 966 CB ILE A 61 8.786 0.567 1.993 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.869 1.416 2.895 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.212 -0.876 1.780 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.482 1.685 2.252 1.00 11.42 C ATOM 0 H ILE A 61 10.643 2.423 2.146 1.00 11.08 H new ATOM 0 HA ILE A 61 9.789 0.013 3.597 1.00 11.78 H new ATOM 0 HB ILE A 61 8.864 1.028 1.008 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.731 0.906 3.848 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.356 2.367 3.110 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.243 -0.813 1.285 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.899 -1.453 1.160 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.095 -1.367 2.746 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.877 2.287 2.930 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.614 2.220 1.312 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.979 0.737 2.062 1.00 11.42 H new ATOM 981 N GLN A 62 11.205 -1.759 2.469 1.00 13.97 N ATOM 982 CA GLN A 62 12.214 -2.708 2.065 1.00 15.52 C ATOM 983 C GLN A 62 11.603 -4.104 2.120 1.00 13.94 C ATOM 984 O GLN A 62 10.504 -4.286 2.547 1.00 12.15 O ATOM 985 CB GLN A 62 13.490 -2.600 2.932 1.00 19.53 C ATOM 986 CG GLN A 62 13.166 -2.900 4.395 1.00 26.38 C ATOM 987 CD GLN A 62 14.338 -2.765 5.356 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.466 -3.264 5.077 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.089 -2.132 6.487 1.00 32.71 N ATOM 0 H GLN A 62 10.487 -2.164 3.070 1.00 13.97 H new ATOM 0 HA GLN A 62 12.533 -2.490 1.046 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.244 -3.298 2.569 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.914 -1.599 2.844 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.371 -2.229 4.720 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.775 -3.915 4.464 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.161 -1.748 6.663 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.825 -2.027 7.185 1.00 32.71 H new ATOM 998 N LYS A 63 12.340 -5.088 1.587 1.00 11.73 N ATOM 999 CA LYS A 63 12.112 -6.518 1.629 1.00 11.97 C ATOM 1000 C LYS A 63 11.327 -6.926 2.876 1.00 10.41 C ATOM 1001 O LYS A 63 11.661 -6.535 3.991 1.00 9.59 O ATOM 1002 CB LYS A 63 13.328 -7.385 1.429 1.00 13.73 C ATOM 1003 CG LYS A 63 13.181 -8.911 1.624 1.00 16.98 C ATOM 1004 CD LYS A 63 14.407 -9.812 1.296 1.00 20.19 C ATOM 1005 CE LYS A 63 14.140 -11.314 1.525 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.349 -12.115 1.689 1.00 25.97 N ATOM 0 H LYS A 63 13.190 -4.869 1.068 1.00 11.73 H new ATOM 0 HA LYS A 63 11.503 -6.714 0.746 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.696 -7.213 0.417 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.101 -7.036 2.113 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.904 -9.090 2.663 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.346 -9.247 1.009 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.696 -9.656 0.257 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.252 -9.502 1.912 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.517 -11.430 2.412 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.570 -11.704 0.681 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.088 -13.111 1.838 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.937 -12.035 0.835 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.885 -11.771 2.511 1.00 25.97 H new ATOM 1020 N GLU A 64 10.261 -7.662 2.705 1.00 10.04 N ATOM 1021 CA GLU A 64 9.348 -8.165 3.720 1.00 10.94 C ATOM 1022 C GLU A 64 8.862 -7.206 4.790 1.00 9.74 C ATOM 1023 O GLU A 64 8.561 -7.575 5.920 1.00 9.42 O ATOM 1024 CB GLU A 64 9.868 -9.399 4.378 1.00 18.31 C ATOM 1025 CG GLU A 64 9.911 -10.538 3.324 1.00 24.16 C ATOM 1026 CD GLU A 64 10.211 -11.938 3.889 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.340 -12.142 5.143 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.370 -12.865 3.053 1.00 32.61 O ATOM 0 H GLU A 64 9.976 -7.956 1.771 1.00 10.04 H new ATOM 0 HA GLU A 64 8.464 -8.368 3.115 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.864 -9.221 4.784 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.228 -9.681 5.214 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.952 -10.570 2.806 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.668 -10.294 2.578 1.00 24.16 H new ATOM 1035 N SER A 65 8.768 -5.861 4.507 1.00 6.85 N ATOM 1036 CA SER A 65 8.044 -4.900 5.331 1.00 6.90 C ATOM 1037 C SER A 65 6.499 -5.231 5.339 1.00 4.72 C ATOM 1038 O SER A 65 5.908 -5.495 4.294 1.00 3.91 O ATOM 1039 CB SER A 65 8.077 -3.424 4.780 1.00 7.28 C ATOM 1040 OG SER A 65 9.432 -2.994 4.826 1.00 10.56 O ATOM 0 H SER A 65 9.206 -5.439 3.688 1.00 6.85 H new ATOM 0 HA SER A 65 8.535 -4.973 6.301 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.694 -3.384 3.760 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.445 -2.773 5.384 1.00 7.28 H new ATOM 0 HG SER A 65 9.956 -3.491 4.164 1.00 10.56 H new ATOM 1046 N THR A 66 5.914 -5.139 6.531 1.00 4.48 N ATOM 1047 CA THR A 66 4.502 -5.392 6.697 1.00 3.80 C ATOM 1048 C THR A 66 3.827 -4.041 6.567 1.00 4.60 C ATOM 1049 O THR A 66 4.158 -3.073 7.304 1.00 5.33 O ATOM 1050 CB THR A 66 4.087 -5.972 8.052 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.731 -7.270 8.315 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.573 -6.118 8.196 1.00 3.40 C ATOM 0 H THR A 66 6.404 -4.891 7.391 1.00 4.48 H new ATOM 0 HA THR A 66 4.218 -6.138 5.955 1.00 3.80 H new ATOM 0 HB THR A 66 4.429 -5.249 8.792 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.443 -7.607 9.189 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.339 -6.534 9.176 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.102 -5.140 8.095 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.196 -6.784 7.420 1.00 3.40 H new ATOM 1060 N LEU A 67 2.867 -3.833 5.639 1.00 4.17 N ATOM 1061 CA LEU A 67 2.230 -2.554 5.352 1.00 3.85 C ATOM 1062 C LEU A 67 0.755 -2.681 5.683 1.00 3.80 C ATOM 1063 O LEU A 67 0.152 -3.734 5.551 1.00 5.54 O ATOM 1064 CB LEU A 67 2.320 -2.339 3.864 1.00 7.18 C ATOM 1065 CG LEU A 67 3.465 -1.359 3.496 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.855 -2.067 3.498 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.291 -0.759 2.127 1.00 11.66 C ATOM 0 H LEU A 67 2.510 -4.588 5.054 1.00 4.17 H new ATOM 0 HA LEU A 67 2.698 -1.748 5.916 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.485 -3.295 3.367 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.372 -1.947 3.495 1.00 7.18 H new ATOM 0 HG LEU A 67 3.423 -0.580 4.257 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.630 -1.347 3.236 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.056 -2.471 4.490 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.851 -2.878 2.770 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.119 -0.081 1.919 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.276 -1.553 1.381 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.352 -0.207 2.088 1.00 11.66 H new ATOM 1079 N HIS A 68 0.025 -1.599 5.971 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.386 -1.568 6.392 1.00 4.17 C ATOM 1081 C HIS A 68 -2.233 -0.860 5.379 1.00 5.32 C ATOM 1082 O HIS A 68 -1.956 0.225 4.840 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.539 -0.916 7.823 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.146 -1.855 8.948 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.676 -3.139 9.204 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.234 -1.634 9.973 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.062 -3.565 10.367 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.198 -2.699 10.844 1.00 16.30 N ATOM 0 H HIS A 68 0.425 -0.662 5.914 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.738 -2.597 6.459 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.923 -0.018 7.875 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.573 -0.602 7.964 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.368 -0.743 10.073 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.272 -4.515 10.836 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.377 -2.795 11.681 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.316 -1.536 5.003 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.324 -1.066 4.080 1.00 3.97 C ATOM 1098 C LEU A 69 -5.622 -0.703 4.877 1.00 5.07 C ATOM 1099 O LEU A 69 -6.083 -1.489 5.665 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.621 -2.174 3.083 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.844 -2.094 2.078 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.764 -1.005 1.037 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.023 -3.522 1.548 1.00 9.96 C ATOM 0 H LEU A 69 -3.516 -2.472 5.356 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.972 -0.181 3.551 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.724 -2.300 2.477 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.748 -3.090 3.660 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.747 -1.763 2.590 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.650 -1.041 0.404 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.709 -0.034 1.530 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.874 -1.152 0.425 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.854 -3.547 0.844 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.110 -3.840 1.044 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.231 -4.195 2.379 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.109 0.522 4.617 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.215 1.102 5.370 1.00 6.26 C ATOM 1117 C VAL A 70 -8.295 1.394 4.386 1.00 9.22 C ATOM 1118 O VAL A 70 -8.045 2.089 3.392 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.811 2.439 6.000 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.000 3.283 6.503 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.880 2.123 7.162 1.00 8.54 C ATOM 0 H VAL A 70 -5.744 1.128 3.882 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.521 0.412 6.157 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.331 3.044 5.230 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.629 4.213 6.935 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.664 3.509 5.669 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.548 2.724 7.262 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.567 3.051 7.640 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.402 1.499 7.887 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.003 1.592 6.792 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.554 1.004 4.609 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.624 1.260 3.667 1.00 16.06 C ATOM 1133 C LEU A 71 -11.196 2.697 3.676 1.00 18.09 C ATOM 1134 O LEU A 71 -11.238 3.256 4.755 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.827 0.316 3.880 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.524 -1.157 3.585 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.760 -1.463 2.257 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.873 -1.950 4.744 1.00 19.57 C ATOM 0 H LEU A 71 -9.849 0.504 5.448 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.130 1.090 2.710 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.168 0.406 4.911 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.649 0.642 3.242 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.544 -1.519 3.454 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.607 -2.538 2.165 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.345 -1.106 1.410 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -9.794 -0.959 2.269 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.701 -2.979 4.429 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.922 -1.489 5.011 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -11.536 -1.941 5.609 1.00 19.57 H new