USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 432 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -178:sc= 0 (180deg=-0.00965) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -136:sc= 0 (180deg=-0.0911) USER MOD Single : A 6 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.078) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00849 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -9.12! C(o=-9.1!,f=-12!) USER MOD Single : A 25 THR OG1 : rot 84:sc= 1.08 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.404 USER MOD Single : A 31 MET CE :methyl -108:sc= -0.027 (180deg=-0.292) USER MOD Single : A 32 GLN : amide:sc= -0.0141 K(o=-0.014,f=-0.66) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00179 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -52:sc= -0.159 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -114:sc=-0.000183 (180deg=-0.442) USER MOD Single : A 47 THR OG1 : rot 62:sc= 0.801 USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.867) USER MOD Single : A 51 HIS : no HD1:sc= -0.0599 X(o=-0.06,f=-0.06) USER MOD Single : A 52 THR OG1 : rot -130:sc= -0.323 USER MOD Single : A 55 SER OG : rot -82:sc= -4.49! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.995 4.256 -22.450 1.00 0.00 N ATOM 2 CA GLY A 1 4.568 5.560 -23.033 1.00 0.00 C ATOM 3 C GLY A 1 3.814 6.369 -21.976 1.00 0.00 C ATOM 4 O GLY A 1 4.043 7.550 -21.807 1.00 0.00 O ATOM 0 H1 GLY A 1 5.537 3.720 -23.158 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.591 4.428 -21.615 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.156 3.709 -22.170 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.438 6.117 -23.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.930 5.391 -23.901 1.00 0.00 H new ATOM 10 N SER A 2 2.919 5.743 -21.263 1.00 0.00 N ATOM 11 CA SER A 2 2.151 6.479 -20.217 1.00 0.00 C ATOM 12 C SER A 2 3.008 6.660 -18.961 1.00 0.00 C ATOM 13 O SER A 2 2.766 6.048 -17.940 1.00 0.00 O ATOM 14 CB SER A 2 0.940 5.595 -19.919 1.00 0.00 C ATOM 15 OG SER A 2 -0.154 6.010 -20.726 1.00 0.00 O ATOM 0 H SER A 2 2.686 4.755 -21.358 1.00 0.00 H new ATOM 0 HA SER A 2 1.856 7.476 -20.545 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.179 4.551 -20.120 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.675 5.664 -18.864 1.00 0.00 H new ATOM 0 HG SER A 2 -0.932 5.444 -20.539 1.00 0.00 H new ATOM 21 N HIS A 3 4.006 7.497 -19.029 1.00 0.00 N ATOM 22 CA HIS A 3 4.880 7.721 -17.842 1.00 0.00 C ATOM 23 C HIS A 3 5.530 6.407 -17.400 1.00 0.00 C ATOM 24 O HIS A 3 6.607 6.060 -17.842 1.00 0.00 O ATOM 25 CB HIS A 3 3.945 8.250 -16.753 1.00 0.00 C ATOM 26 CG HIS A 3 4.005 9.752 -16.727 1.00 0.00 C ATOM 27 ND1 HIS A 3 4.942 10.442 -15.975 1.00 0.00 N ATOM 28 CD2 HIS A 3 3.253 10.711 -17.360 1.00 0.00 C ATOM 29 CE1 HIS A 3 4.732 11.756 -16.170 1.00 0.00 C ATOM 30 NE2 HIS A 3 3.713 11.976 -17.006 1.00 0.00 N ATOM 0 H HIS A 3 4.255 8.037 -19.858 1.00 0.00 H new ATOM 0 HA HIS A 3 5.691 8.417 -18.057 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.924 7.919 -16.943 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.235 7.847 -15.783 1.00 0.00 H new ATOM 0 HD2 HIS A 3 2.430 10.514 -18.031 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.316 12.538 -15.707 1.00 0.00 H new ATOM 0 HE2 HIS A 3 3.350 12.877 -17.318 1.00 0.00 H new ATOM 38 N MET A 4 4.890 5.676 -16.529 1.00 0.00 N ATOM 39 CA MET A 4 5.482 4.390 -16.059 1.00 0.00 C ATOM 40 C MET A 4 4.816 3.201 -16.760 1.00 0.00 C ATOM 41 O MET A 4 5.457 2.456 -17.475 1.00 0.00 O ATOM 42 CB MET A 4 5.205 4.349 -14.555 1.00 0.00 C ATOM 43 CG MET A 4 5.745 5.621 -13.899 1.00 0.00 C ATOM 44 SD MET A 4 6.064 5.305 -12.145 1.00 0.00 S ATOM 45 CE MET A 4 7.686 4.530 -12.347 1.00 0.00 C ATOM 0 H MET A 4 3.985 5.912 -16.123 1.00 0.00 H new ATOM 0 HA MET A 4 6.547 4.327 -16.281 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.134 4.261 -14.375 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.676 3.471 -14.112 1.00 0.00 H new ATOM 0 HG2 MET A 4 6.662 5.938 -14.395 1.00 0.00 H new ATOM 0 HG3 MET A 4 5.026 6.433 -14.009 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.748 3.645 -11.714 1.00 0.00 H new ATOM 0 HE2 MET A 4 7.824 4.241 -13.389 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.465 5.236 -12.060 1.00 0.00 H new ATOM 55 N GLU A 5 3.540 3.011 -16.556 1.00 0.00 N ATOM 56 CA GLU A 5 2.848 1.861 -17.209 1.00 0.00 C ATOM 57 C GLU A 5 1.336 2.099 -17.272 1.00 0.00 C ATOM 58 O GLU A 5 0.733 2.591 -16.338 1.00 0.00 O ATOM 59 CB GLU A 5 3.159 0.657 -16.318 1.00 0.00 C ATOM 60 CG GLU A 5 2.997 1.049 -14.848 1.00 0.00 C ATOM 61 CD GLU A 5 3.195 -0.184 -13.963 1.00 0.00 C ATOM 62 OE1 GLU A 5 2.937 -1.277 -14.439 1.00 0.00 O ATOM 63 OE2 GLU A 5 3.601 -0.014 -12.825 1.00 0.00 O ATOM 0 H GLU A 5 2.949 3.599 -15.968 1.00 0.00 H new ATOM 0 HA GLU A 5 3.184 1.715 -18.236 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.491 -0.169 -16.560 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.175 0.309 -16.502 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.722 1.819 -14.584 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.007 1.474 -14.681 1.00 0.00 H new ATOM 70 N GLN A 6 0.720 1.744 -18.367 1.00 0.00 N ATOM 71 CA GLN A 6 -0.754 1.937 -18.498 1.00 0.00 C ATOM 72 C GLN A 6 -1.166 3.316 -17.977 1.00 0.00 C ATOM 73 O GLN A 6 -0.337 4.159 -17.697 1.00 0.00 O ATOM 74 CB GLN A 6 -1.372 0.831 -17.641 1.00 0.00 C ATOM 75 CG GLN A 6 -2.016 -0.219 -18.549 1.00 0.00 C ATOM 76 CD GLN A 6 -3.264 0.373 -19.208 1.00 0.00 C ATOM 77 OE1 GLN A 6 -3.338 0.472 -20.416 1.00 0.00 O ATOM 78 NE2 GLN A 6 -4.254 0.773 -18.459 1.00 0.00 N ATOM 0 H GLN A 6 1.175 1.327 -19.179 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.084 1.886 -19.536 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.606 0.368 -17.018 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.119 1.252 -16.968 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.307 -0.540 -19.312 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.282 -1.103 -17.969 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.192 0.690 -17.444 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.090 1.169 -18.888 1.00 0.00 H new ATOM 87 N ASP A 7 -2.444 3.550 -17.848 1.00 0.00 N ATOM 88 CA ASP A 7 -2.918 4.873 -17.348 1.00 0.00 C ATOM 89 C ASP A 7 -3.179 4.811 -15.841 1.00 0.00 C ATOM 90 O ASP A 7 -4.107 5.411 -15.338 1.00 0.00 O ATOM 91 CB ASP A 7 -4.221 5.135 -18.106 1.00 0.00 C ATOM 92 CG ASP A 7 -4.400 6.640 -18.310 1.00 0.00 C ATOM 93 OD1 ASP A 7 -4.179 7.377 -17.362 1.00 0.00 O ATOM 94 OD2 ASP A 7 -4.754 7.030 -19.410 1.00 0.00 O ATOM 0 H ASP A 7 -3.182 2.881 -18.068 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.183 5.662 -17.509 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.202 4.627 -19.070 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.066 4.730 -17.549 1.00 0.00 H new ATOM 99 N LEU A 8 -2.369 4.090 -15.115 1.00 0.00 N ATOM 100 CA LEU A 8 -2.577 3.995 -13.642 1.00 0.00 C ATOM 101 C LEU A 8 -3.900 3.288 -13.340 1.00 0.00 C ATOM 102 O LEU A 8 -4.459 3.435 -12.270 1.00 0.00 O ATOM 103 CB LEU A 8 -2.621 5.443 -13.155 1.00 0.00 C ATOM 104 CG LEU A 8 -1.692 5.607 -11.952 1.00 0.00 C ATOM 105 CD1 LEU A 8 -1.229 7.063 -11.855 1.00 0.00 C ATOM 106 CD2 LEU A 8 -2.443 5.223 -10.674 1.00 0.00 C ATOM 0 H LEU A 8 -1.574 3.564 -15.477 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.791 3.422 -13.150 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.317 6.116 -13.956 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.640 5.714 -12.880 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.823 4.960 -12.073 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.567 7.178 -10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.695 7.336 -12.765 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.096 7.713 -11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.782 5.339 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.312 5.870 -10.554 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.770 4.186 -10.742 1.00 0.00 H new ATOM 118 N LYS A 9 -4.401 2.525 -14.277 1.00 0.00 N ATOM 119 CA LYS A 9 -5.692 1.801 -14.061 1.00 0.00 C ATOM 120 C LYS A 9 -6.671 2.669 -13.264 1.00 0.00 C ATOM 121 O LYS A 9 -6.611 3.881 -13.299 1.00 0.00 O ATOM 122 CB LYS A 9 -5.319 0.541 -13.276 1.00 0.00 C ATOM 123 CG LYS A 9 -4.811 0.928 -11.886 1.00 0.00 C ATOM 124 CD LYS A 9 -4.860 -0.295 -10.967 1.00 0.00 C ATOM 125 CE LYS A 9 -3.495 -0.990 -10.967 1.00 0.00 C ATOM 126 NZ LYS A 9 -3.479 -1.831 -9.734 1.00 0.00 N ATOM 0 H LYS A 9 -3.969 2.371 -15.188 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.187 1.560 -15.002 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.186 -0.113 -13.187 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.551 -0.018 -13.811 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.791 1.306 -11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.422 1.731 -11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.125 0.008 -9.954 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.632 -0.986 -11.305 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.365 -1.600 -11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.684 -0.262 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.572 -2.336 -9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.597 -1.224 -8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.257 -2.520 -9.774 1.00 0.00 H new ATOM 140 N THR A 10 -7.574 2.055 -12.547 1.00 0.00 N ATOM 141 CA THR A 10 -8.558 2.846 -11.751 1.00 0.00 C ATOM 142 C THR A 10 -8.487 2.452 -10.274 1.00 0.00 C ATOM 143 O THR A 10 -8.280 1.304 -9.937 1.00 0.00 O ATOM 144 CB THR A 10 -9.926 2.485 -12.335 1.00 0.00 C ATOM 145 OG1 THR A 10 -10.234 1.134 -12.018 1.00 0.00 O ATOM 146 CG2 THR A 10 -9.900 2.662 -13.854 1.00 0.00 C ATOM 0 H THR A 10 -7.673 1.042 -12.478 1.00 0.00 H new ATOM 0 HA THR A 10 -8.361 3.917 -11.804 1.00 0.00 H new ATOM 0 HB THR A 10 -10.686 3.141 -11.910 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.111 0.902 -12.390 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.875 2.404 -14.267 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.666 3.699 -14.096 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.140 2.009 -14.283 1.00 0.00 H new ATOM 154 N LEU A 11 -8.663 3.397 -9.390 1.00 0.00 N ATOM 155 CA LEU A 11 -8.613 3.077 -7.934 1.00 0.00 C ATOM 156 C LEU A 11 -9.115 4.275 -7.115 1.00 0.00 C ATOM 157 O LEU A 11 -8.749 5.400 -7.391 1.00 0.00 O ATOM 158 CB LEU A 11 -7.137 2.810 -7.634 1.00 0.00 C ATOM 159 CG LEU A 11 -6.277 3.911 -8.259 1.00 0.00 C ATOM 160 CD1 LEU A 11 -4.972 4.046 -7.472 1.00 0.00 C ATOM 161 CD2 LEU A 11 -5.960 3.547 -9.710 1.00 0.00 C ATOM 0 H LEU A 11 -8.839 4.377 -9.613 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.242 2.224 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.975 2.776 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.845 1.838 -8.031 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.819 4.856 -8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.359 4.830 -7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.196 4.304 -6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.430 3.101 -7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.348 4.331 -10.156 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.417 2.602 -9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.889 3.449 -10.272 1.00 0.00 H new ATOM 173 N PRO A 12 -9.937 4.003 -6.128 1.00 0.00 N ATOM 174 CA PRO A 12 -10.477 5.086 -5.273 1.00 0.00 C ATOM 175 C PRO A 12 -9.344 5.777 -4.512 1.00 0.00 C ATOM 176 O PRO A 12 -8.190 5.416 -4.638 1.00 0.00 O ATOM 177 CB PRO A 12 -11.401 4.330 -4.314 1.00 0.00 C ATOM 178 CG PRO A 12 -11.351 2.829 -4.657 1.00 0.00 C ATOM 179 CD PRO A 12 -10.369 2.620 -5.817 1.00 0.00 C ATOM 0 HA PRO A 12 -10.987 5.872 -5.829 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.089 4.492 -3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.421 4.703 -4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.035 2.253 -3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -12.343 2.472 -4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.529 1.988 -5.528 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.848 2.143 -6.672 1.00 0.00 H new ATOM 187 N THR A 13 -9.659 6.765 -3.720 1.00 0.00 N ATOM 188 CA THR A 13 -8.593 7.468 -2.952 1.00 0.00 C ATOM 189 C THR A 13 -8.858 7.361 -1.451 1.00 0.00 C ATOM 190 O THR A 13 -9.969 7.130 -1.019 1.00 0.00 O ATOM 191 CB THR A 13 -8.673 8.931 -3.388 1.00 0.00 C ATOM 192 OG1 THR A 13 -10.012 9.389 -3.255 1.00 0.00 O ATOM 193 CG2 THR A 13 -8.228 9.067 -4.841 1.00 0.00 C ATOM 0 H THR A 13 -10.606 7.115 -3.572 1.00 0.00 H new ATOM 0 HA THR A 13 -7.611 7.035 -3.142 1.00 0.00 H new ATOM 0 HB THR A 13 -8.016 9.530 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.066 10.327 -3.532 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.288 10.112 -5.144 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.200 8.719 -4.941 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.878 8.467 -5.478 1.00 0.00 H new ATOM 201 N THR A 14 -7.844 7.544 -0.656 1.00 0.00 N ATOM 202 CA THR A 14 -8.027 7.472 0.820 1.00 0.00 C ATOM 203 C THR A 14 -7.336 8.669 1.474 1.00 0.00 C ATOM 204 O THR A 14 -6.364 9.189 0.963 1.00 0.00 O ATOM 205 CB THR A 14 -7.360 6.163 1.248 1.00 0.00 C ATOM 206 OG1 THR A 14 -7.635 5.920 2.620 1.00 0.00 O ATOM 207 CG2 THR A 14 -5.850 6.266 1.040 1.00 0.00 C ATOM 0 H THR A 14 -6.892 7.741 -0.965 1.00 0.00 H new ATOM 0 HA THR A 14 -9.076 7.497 1.115 1.00 0.00 H new ATOM 0 HB THR A 14 -7.752 5.342 0.647 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.210 5.081 2.895 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.376 5.333 1.345 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.640 6.452 -0.013 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.455 7.086 1.639 1.00 0.00 H new ATOM 215 N LYS A 15 -7.825 9.114 2.597 1.00 0.00 N ATOM 216 CA LYS A 15 -7.183 10.281 3.265 1.00 0.00 C ATOM 217 C LYS A 15 -5.932 9.824 4.015 1.00 0.00 C ATOM 218 O LYS A 15 -6.007 9.157 5.028 1.00 0.00 O ATOM 219 CB LYS A 15 -8.236 10.818 4.238 1.00 0.00 C ATOM 220 CG LYS A 15 -9.380 11.464 3.451 1.00 0.00 C ATOM 221 CD LYS A 15 -8.899 12.780 2.832 1.00 0.00 C ATOM 222 CE LYS A 15 -9.794 13.927 3.308 1.00 0.00 C ATOM 223 NZ LYS A 15 -10.737 14.173 2.182 1.00 0.00 N ATOM 0 H LYS A 15 -8.635 8.724 3.079 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.869 11.047 2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.620 10.008 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.786 11.548 4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.725 10.787 2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.229 11.649 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.864 12.971 3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.924 12.713 1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.329 13.658 4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.208 14.818 3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.384 14.947 2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.200 14.433 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.286 13.310 1.995 1.00 0.00 H new ATOM 237 N ILE A 16 -4.782 10.182 3.519 1.00 0.00 N ATOM 238 CA ILE A 16 -3.512 9.779 4.185 1.00 0.00 C ATOM 239 C ILE A 16 -2.445 10.835 3.910 1.00 0.00 C ATOM 240 O ILE A 16 -2.617 11.686 3.064 1.00 0.00 O ATOM 241 CB ILE A 16 -3.132 8.443 3.551 1.00 0.00 C ATOM 242 CG1 ILE A 16 -2.012 7.794 4.365 1.00 0.00 C ATOM 243 CG2 ILE A 16 -2.650 8.673 2.117 1.00 0.00 C ATOM 244 CD1 ILE A 16 -2.088 6.277 4.206 1.00 0.00 C ATOM 0 H ILE A 16 -4.666 10.741 2.674 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.611 9.688 5.267 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.003 7.788 3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.042 8.159 4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.106 8.066 5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.379 7.718 1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.447 9.136 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.780 9.329 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.291 5.810 4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.054 5.921 4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.974 6.015 3.154 1.00 0.00 H new ATOM 256 N THR A 17 -1.350 10.804 4.611 1.00 0.00 N ATOM 257 CA THR A 17 -0.310 11.838 4.362 1.00 0.00 C ATOM 258 C THR A 17 0.820 11.294 3.491 1.00 0.00 C ATOM 259 O THR A 17 0.988 10.101 3.332 1.00 0.00 O ATOM 260 CB THR A 17 0.210 12.240 5.737 1.00 0.00 C ATOM 261 OG1 THR A 17 -0.695 11.795 6.738 1.00 0.00 O ATOM 262 CG2 THR A 17 0.328 13.763 5.784 1.00 0.00 C ATOM 0 H THR A 17 -1.131 10.120 5.335 1.00 0.00 H new ATOM 0 HA THR A 17 -0.723 12.690 3.822 1.00 0.00 H new ATOM 0 HB THR A 17 1.184 11.786 5.918 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.358 12.053 7.621 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.699 14.069 6.762 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.020 14.098 5.012 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.651 14.209 5.612 1.00 0.00 H new ATOM 270 N CYS A 18 1.581 12.179 2.912 1.00 0.00 N ATOM 271 CA CYS A 18 2.697 11.754 2.023 1.00 0.00 C ATOM 272 C CYS A 18 4.059 12.113 2.643 1.00 0.00 C ATOM 273 O CYS A 18 4.351 13.275 2.841 1.00 0.00 O ATOM 274 CB CYS A 18 2.469 12.569 0.758 1.00 0.00 C ATOM 275 SG CYS A 18 3.779 12.232 -0.442 1.00 0.00 S ATOM 0 H CYS A 18 1.477 13.188 3.018 1.00 0.00 H new ATOM 0 HA CYS A 18 2.712 10.678 1.851 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.498 12.323 0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.450 13.632 0.999 1.00 0.00 H new ATOM 280 N PRO A 19 4.856 11.108 2.922 1.00 0.00 N ATOM 281 CA PRO A 19 6.198 11.341 3.511 1.00 0.00 C ATOM 282 C PRO A 19 7.104 12.071 2.514 1.00 0.00 C ATOM 283 O PRO A 19 8.206 12.467 2.837 1.00 0.00 O ATOM 284 CB PRO A 19 6.708 9.919 3.762 1.00 0.00 C ATOM 285 CG PRO A 19 5.634 8.918 3.295 1.00 0.00 C ATOM 286 CD PRO A 19 4.468 9.699 2.675 1.00 0.00 C ATOM 0 HA PRO A 19 6.178 11.960 4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.640 9.752 3.223 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.922 9.776 4.821 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.055 8.226 2.566 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.283 8.321 4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.359 9.489 1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.517 9.451 3.147 1.00 0.00 H new ATOM 294 N LYS A 20 6.652 12.244 1.302 1.00 0.00 N ATOM 295 CA LYS A 20 7.493 12.936 0.283 1.00 0.00 C ATOM 296 C LYS A 20 7.206 14.440 0.276 1.00 0.00 C ATOM 297 O LYS A 20 8.051 15.243 0.618 1.00 0.00 O ATOM 298 CB LYS A 20 7.088 12.310 -1.051 1.00 0.00 C ATOM 299 CG LYS A 20 8.330 11.750 -1.752 1.00 0.00 C ATOM 300 CD LYS A 20 9.107 12.896 -2.406 1.00 0.00 C ATOM 301 CE LYS A 20 10.324 12.336 -3.146 1.00 0.00 C ATOM 302 NZ LYS A 20 11.476 12.595 -2.238 1.00 0.00 N ATOM 0 H LYS A 20 5.737 11.936 0.973 1.00 0.00 H new ATOM 0 HA LYS A 20 8.558 12.822 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.361 11.515 -0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.606 13.056 -1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.963 11.231 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.037 11.019 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.463 13.435 -3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.427 13.611 -1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.210 11.270 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.462 12.827 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.350 12.239 -2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.564 13.618 -2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.320 12.109 -1.332 1.00 0.00 H new ATOM 316 N CYS A 21 6.025 14.831 -0.122 1.00 0.00 N ATOM 317 CA CYS A 21 5.698 16.287 -0.162 1.00 0.00 C ATOM 318 C CYS A 21 4.730 16.657 0.969 1.00 0.00 C ATOM 319 O CYS A 21 4.107 17.701 0.948 1.00 0.00 O ATOM 320 CB CYS A 21 5.053 16.508 -1.533 1.00 0.00 C ATOM 321 SG CYS A 21 3.364 15.854 -1.538 1.00 0.00 S ATOM 0 H CYS A 21 5.274 14.208 -0.420 1.00 0.00 H new ATOM 0 HA CYS A 21 6.580 16.912 -0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.040 17.572 -1.770 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.644 16.016 -2.305 1.00 0.00 H new ATOM 326 N GLY A 22 4.608 15.816 1.958 1.00 0.00 N ATOM 327 CA GLY A 22 3.690 16.125 3.095 1.00 0.00 C ATOM 328 C GLY A 22 2.246 16.225 2.596 1.00 0.00 C ATOM 329 O GLY A 22 1.368 16.677 3.303 1.00 0.00 O ATOM 0 H GLY A 22 5.103 14.927 2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.767 15.348 3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.985 17.062 3.566 1.00 0.00 H new ATOM 333 N ASN A 23 1.988 15.804 1.388 1.00 0.00 N ATOM 334 CA ASN A 23 0.593 15.874 0.860 1.00 0.00 C ATOM 335 C ASN A 23 -0.386 15.359 1.930 1.00 0.00 C ATOM 336 O ASN A 23 0.019 14.817 2.939 1.00 0.00 O ATOM 337 CB ASN A 23 0.608 14.991 -0.403 1.00 0.00 C ATOM 338 CG ASN A 23 -0.658 14.131 -0.489 1.00 0.00 C ATOM 339 OD1 ASN A 23 -0.862 13.248 0.321 1.00 0.00 O ATOM 340 ND2 ASN A 23 -1.522 14.353 -1.442 1.00 0.00 N ATOM 0 H ASN A 23 2.678 15.416 0.745 1.00 0.00 H new ATOM 0 HA ASN A 23 0.267 16.885 0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.685 15.620 -1.290 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.488 14.348 -0.391 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.367 13.786 -1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.352 15.094 -2.122 1.00 0.00 H new ATOM 347 N ASP A 24 -1.666 15.537 1.729 1.00 0.00 N ATOM 348 CA ASP A 24 -2.646 15.069 2.755 1.00 0.00 C ATOM 349 C ASP A 24 -3.510 13.921 2.222 1.00 0.00 C ATOM 350 O ASP A 24 -4.272 13.318 2.954 1.00 0.00 O ATOM 351 CB ASP A 24 -3.512 16.293 3.058 1.00 0.00 C ATOM 352 CG ASP A 24 -4.389 16.612 1.847 1.00 0.00 C ATOM 353 OD1 ASP A 24 -4.108 16.088 0.782 1.00 0.00 O ATOM 354 OD2 ASP A 24 -5.328 17.374 2.005 1.00 0.00 O ATOM 0 H ASP A 24 -2.073 15.982 0.906 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.143 14.683 3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.136 16.103 3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.880 17.148 3.298 1.00 0.00 H new ATOM 359 N THR A 25 -3.402 13.600 0.965 1.00 0.00 N ATOM 360 CA THR A 25 -4.225 12.480 0.423 1.00 0.00 C ATOM 361 C THR A 25 -3.403 11.615 -0.536 1.00 0.00 C ATOM 362 O THR A 25 -2.354 12.005 -1.007 1.00 0.00 O ATOM 363 CB THR A 25 -5.374 13.144 -0.333 1.00 0.00 C ATOM 364 OG1 THR A 25 -5.921 14.192 0.456 1.00 0.00 O ATOM 365 CG2 THR A 25 -6.454 12.104 -0.634 1.00 0.00 C ATOM 0 H THR A 25 -2.786 14.058 0.293 1.00 0.00 H new ATOM 0 HA THR A 25 -4.579 11.827 1.221 1.00 0.00 H new ATOM 0 HB THR A 25 -5.002 13.558 -1.270 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.390 15.006 0.332 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.274 12.577 -1.174 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.031 11.306 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.828 11.686 0.301 1.00 0.00 H new ATOM 373 N ALA A 26 -3.889 10.443 -0.826 1.00 0.00 N ATOM 374 CA ALA A 26 -3.166 9.526 -1.756 1.00 0.00 C ATOM 375 C ALA A 26 -4.120 8.441 -2.263 1.00 0.00 C ATOM 376 O ALA A 26 -5.057 8.067 -1.585 1.00 0.00 O ATOM 377 CB ALA A 26 -2.053 8.905 -0.910 1.00 0.00 C ATOM 0 H ALA A 26 -4.765 10.075 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.773 10.044 -2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.472 8.215 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.401 9.692 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.492 8.364 -0.071 1.00 0.00 H new ATOM 383 N TYR A 27 -3.879 7.904 -3.428 1.00 0.00 N ATOM 384 CA TYR A 27 -4.770 6.819 -3.930 1.00 0.00 C ATOM 385 C TYR A 27 -4.375 5.527 -3.217 1.00 0.00 C ATOM 386 O TYR A 27 -3.352 5.476 -2.565 1.00 0.00 O ATOM 387 CB TYR A 27 -4.488 6.708 -5.431 1.00 0.00 C ATOM 388 CG TYR A 27 -4.490 8.081 -6.059 1.00 0.00 C ATOM 389 CD1 TYR A 27 -5.698 8.678 -6.433 1.00 0.00 C ATOM 390 CD2 TYR A 27 -3.283 8.754 -6.269 1.00 0.00 C ATOM 391 CE1 TYR A 27 -5.700 9.950 -7.017 1.00 0.00 C ATOM 392 CE2 TYR A 27 -3.283 10.027 -6.853 1.00 0.00 C ATOM 393 CZ TYR A 27 -4.491 10.625 -7.227 1.00 0.00 C ATOM 394 OH TYR A 27 -4.491 11.879 -7.803 1.00 0.00 O ATOM 0 H TYR A 27 -3.113 8.166 -4.048 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.827 7.013 -3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.524 6.226 -5.594 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.242 6.081 -5.906 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.630 8.157 -6.271 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.350 8.292 -5.981 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.633 10.411 -7.305 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.350 10.547 -7.015 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.570 12.206 -7.876 1.00 0.00 H new ATOM 404 N TRP A 28 -5.151 4.484 -3.310 1.00 0.00 N ATOM 405 CA TRP A 28 -4.743 3.241 -2.596 1.00 0.00 C ATOM 406 C TRP A 28 -5.277 1.975 -3.266 1.00 0.00 C ATOM 407 O TRP A 28 -6.374 1.930 -3.784 1.00 0.00 O ATOM 408 CB TRP A 28 -5.330 3.366 -1.190 1.00 0.00 C ATOM 409 CG TRP A 28 -6.804 3.121 -1.232 1.00 0.00 C ATOM 410 CD1 TRP A 28 -7.751 4.077 -1.365 1.00 0.00 C ATOM 411 CD2 TRP A 28 -7.512 1.852 -1.141 1.00 0.00 C ATOM 412 NE1 TRP A 28 -8.997 3.474 -1.363 1.00 0.00 N ATOM 413 CE2 TRP A 28 -8.900 2.102 -1.227 1.00 0.00 C ATOM 414 CE3 TRP A 28 -7.084 0.520 -0.995 1.00 0.00 C ATOM 415 CZ2 TRP A 28 -9.834 1.067 -1.170 1.00 0.00 C ATOM 416 CZ3 TRP A 28 -8.021 -0.525 -0.935 1.00 0.00 C ATOM 417 CH2 TRP A 28 -9.393 -0.252 -1.023 1.00 0.00 C ATOM 0 H TRP A 28 -6.025 4.435 -3.833 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.657 3.147 -2.599 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.852 2.650 -0.522 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.129 4.359 -0.789 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.566 5.137 -1.458 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.878 3.980 -1.451 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.029 0.299 -0.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.890 1.283 -1.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.682 -1.544 -0.820 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -10.109 -1.059 -0.977 1.00 0.00 H new ATOM 428 N TRP A 29 -4.495 0.939 -3.206 1.00 0.00 N ATOM 429 CA TRP A 29 -4.898 -0.374 -3.774 1.00 0.00 C ATOM 430 C TRP A 29 -4.099 -1.459 -3.053 1.00 0.00 C ATOM 431 O TRP A 29 -3.189 -1.163 -2.303 1.00 0.00 O ATOM 432 CB TRP A 29 -4.543 -0.313 -5.259 1.00 0.00 C ATOM 433 CG TRP A 29 -3.073 -0.111 -5.413 1.00 0.00 C ATOM 434 CD1 TRP A 29 -2.176 -1.091 -5.663 1.00 0.00 C ATOM 435 CD2 TRP A 29 -2.318 1.129 -5.330 1.00 0.00 C ATOM 436 NE1 TRP A 29 -0.914 -0.527 -5.743 1.00 0.00 N ATOM 437 CE2 TRP A 29 -0.951 0.839 -5.544 1.00 0.00 C ATOM 438 CE3 TRP A 29 -2.686 2.464 -5.092 1.00 0.00 C ATOM 439 CZ2 TRP A 29 0.019 1.843 -5.522 1.00 0.00 C ATOM 440 CZ3 TRP A 29 -1.713 3.475 -5.069 1.00 0.00 C ATOM 441 CH2 TRP A 29 -0.364 3.166 -5.284 1.00 0.00 C ATOM 0 H TRP A 29 -3.570 0.947 -2.776 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.958 -0.594 -3.652 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.848 -1.235 -5.754 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.085 0.501 -5.740 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.406 -2.140 -5.781 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.061 -1.056 -5.926 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.724 2.713 -4.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 1.058 1.599 -5.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.006 4.498 -4.884 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.380 3.949 -5.266 1.00 0.00 H new ATOM 452 N GLU A 30 -4.417 -2.702 -3.249 1.00 0.00 N ATOM 453 CA GLU A 30 -3.649 -3.763 -2.538 1.00 0.00 C ATOM 454 C GLU A 30 -2.710 -4.486 -3.514 1.00 0.00 C ATOM 455 O GLU A 30 -2.886 -4.430 -4.714 1.00 0.00 O ATOM 456 CB GLU A 30 -4.711 -4.717 -1.968 1.00 0.00 C ATOM 457 CG GLU A 30 -5.094 -5.787 -2.999 1.00 0.00 C ATOM 458 CD GLU A 30 -5.839 -5.138 -4.166 1.00 0.00 C ATOM 459 OE1 GLU A 30 -5.179 -4.658 -5.072 1.00 0.00 O ATOM 460 OE2 GLU A 30 -7.059 -5.133 -4.135 1.00 0.00 O ATOM 0 H GLU A 30 -5.164 -3.031 -3.861 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.016 -3.359 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.330 -5.195 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.597 -4.151 -1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.199 -6.292 -3.363 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.721 -6.547 -2.533 1.00 0.00 H new ATOM 467 N MET A 31 -1.718 -5.164 -3.006 1.00 0.00 N ATOM 468 CA MET A 31 -0.775 -5.889 -3.907 1.00 0.00 C ATOM 469 C MET A 31 -0.385 -7.236 -3.294 1.00 0.00 C ATOM 470 O MET A 31 -0.541 -7.458 -2.109 1.00 0.00 O ATOM 471 CB MET A 31 0.449 -4.980 -4.017 1.00 0.00 C ATOM 472 CG MET A 31 0.129 -3.797 -4.929 1.00 0.00 C ATOM 473 SD MET A 31 1.561 -2.693 -5.010 1.00 0.00 S ATOM 474 CE MET A 31 2.541 -3.674 -6.173 1.00 0.00 C ATOM 0 H MET A 31 -1.519 -5.248 -2.009 1.00 0.00 H new ATOM 0 HA MET A 31 -1.217 -6.098 -4.881 1.00 0.00 H new ATOM 0 HB2 MET A 31 0.739 -4.622 -3.029 1.00 0.00 H new ATOM 0 HB3 MET A 31 1.296 -5.540 -4.414 1.00 0.00 H new ATOM 0 HG2 MET A 31 -0.127 -4.152 -5.927 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.739 -3.257 -4.551 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.379 -4.131 -5.647 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.916 -4.454 -6.607 1.00 0.00 H new ATOM 0 HE3 MET A 31 2.919 -3.028 -6.966 1.00 0.00 H new ATOM 484 N GLN A 32 0.122 -8.136 -4.092 1.00 0.00 N ATOM 485 CA GLN A 32 0.523 -9.468 -3.555 1.00 0.00 C ATOM 486 C GLN A 32 1.980 -9.435 -3.087 1.00 0.00 C ATOM 487 O GLN A 32 2.838 -8.870 -3.738 1.00 0.00 O ATOM 488 CB GLN A 32 0.362 -10.433 -4.729 1.00 0.00 C ATOM 489 CG GLN A 32 -1.124 -10.682 -4.988 1.00 0.00 C ATOM 490 CD GLN A 32 -1.283 -11.587 -6.210 1.00 0.00 C ATOM 491 OE1 GLN A 32 -0.585 -11.429 -7.192 1.00 0.00 O ATOM 492 NE2 GLN A 32 -2.177 -12.538 -6.192 1.00 0.00 N ATOM 0 H GLN A 32 0.276 -8.007 -5.092 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.080 -9.764 -2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.832 -10.019 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.866 -11.374 -4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.583 -11.147 -4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.639 -9.736 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.763 -12.671 -5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.289 -13.148 -7.002 1.00 0.00 H new ATOM 501 N THR A 33 2.268 -10.039 -1.968 1.00 0.00 N ATOM 502 CA THR A 33 3.670 -10.046 -1.465 1.00 0.00 C ATOM 503 C THR A 33 4.342 -11.377 -1.807 1.00 0.00 C ATOM 504 O THR A 33 5.532 -11.443 -2.042 1.00 0.00 O ATOM 505 CB THR A 33 3.550 -9.879 0.051 1.00 0.00 C ATOM 506 OG1 THR A 33 2.838 -10.987 0.592 1.00 0.00 O ATOM 507 CG2 THR A 33 2.806 -8.577 0.365 1.00 0.00 C ATOM 0 H THR A 33 1.593 -10.528 -1.380 1.00 0.00 H new ATOM 0 HA THR A 33 4.275 -9.258 -1.913 1.00 0.00 H new ATOM 0 HB THR A 33 4.544 -9.838 0.496 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.761 -10.884 1.563 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.721 -8.458 1.445 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.357 -7.734 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.810 -8.612 -0.076 1.00 0.00 H new ATOM 515 N ARG A 34 3.585 -12.440 -1.838 1.00 0.00 N ATOM 516 CA ARG A 34 4.175 -13.769 -2.166 1.00 0.00 C ATOM 517 C ARG A 34 3.645 -14.265 -3.513 1.00 0.00 C ATOM 518 O ARG A 34 3.102 -13.509 -4.295 1.00 0.00 O ATOM 519 CB ARG A 34 3.713 -14.692 -1.038 1.00 0.00 C ATOM 520 CG ARG A 34 4.826 -14.822 0.002 1.00 0.00 C ATOM 521 CD ARG A 34 4.231 -14.672 1.403 1.00 0.00 C ATOM 522 NE ARG A 34 5.398 -14.752 2.324 1.00 0.00 N ATOM 523 CZ ARG A 34 5.933 -13.660 2.797 1.00 0.00 C ATOM 524 NH1 ARG A 34 5.352 -13.020 3.774 1.00 0.00 N ATOM 525 NH2 ARG A 34 7.045 -13.207 2.289 1.00 0.00 N ATOM 0 H ARG A 34 2.582 -12.445 -1.650 1.00 0.00 H new ATOM 0 HA ARG A 34 5.261 -13.731 -2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.811 -14.293 -0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.458 -15.673 -1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.318 -15.790 -0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.587 -14.060 -0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.707 -13.722 1.510 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.508 -15.460 1.612 1.00 0.00 H new ATOM 0 HE ARG A 34 5.780 -15.661 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.480 -13.373 4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.770 -12.166 4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.496 -13.706 1.522 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.464 -12.353 2.658 1.00 0.00 H new ATOM 539 N ALA A 35 3.794 -15.533 -3.788 1.00 0.00 N ATOM 540 CA ALA A 35 3.295 -16.077 -5.083 1.00 0.00 C ATOM 541 C ALA A 35 1.880 -15.561 -5.359 1.00 0.00 C ATOM 542 O ALA A 35 1.514 -15.296 -6.487 1.00 0.00 O ATOM 543 CB ALA A 35 3.285 -17.594 -4.896 1.00 0.00 C ATOM 0 H ALA A 35 4.239 -16.214 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 35 3.915 -15.775 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.928 -18.071 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.295 -17.940 -4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.624 -17.854 -4.069 1.00 0.00 H new ATOM 549 N GLY A 36 1.085 -15.416 -4.334 1.00 0.00 N ATOM 550 CA GLY A 36 -0.306 -14.918 -4.532 1.00 0.00 C ATOM 551 C GLY A 36 -1.102 -15.102 -3.239 1.00 0.00 C ATOM 552 O GLY A 36 -0.897 -14.402 -2.267 1.00 0.00 O ATOM 0 H GLY A 36 1.339 -15.621 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.290 -13.866 -4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.785 -15.460 -5.347 1.00 0.00 H new ATOM 556 N ASP A 37 -2.010 -16.040 -3.219 1.00 0.00 N ATOM 557 CA ASP A 37 -2.820 -16.271 -1.987 1.00 0.00 C ATOM 558 C ASP A 37 -3.455 -14.959 -1.517 1.00 0.00 C ATOM 559 O ASP A 37 -3.283 -14.547 -0.388 1.00 0.00 O ATOM 560 CB ASP A 37 -1.826 -16.793 -0.948 1.00 0.00 C ATOM 561 CG ASP A 37 -1.691 -18.310 -1.090 1.00 0.00 C ATOM 562 OD1 ASP A 37 -2.712 -18.969 -1.194 1.00 0.00 O ATOM 563 OD2 ASP A 37 -0.567 -18.787 -1.093 1.00 0.00 O ATOM 0 H ASP A 37 -2.226 -16.657 -4.002 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.636 -16.974 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.856 -16.316 -1.086 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.166 -16.540 0.056 1.00 0.00 H new ATOM 568 N GLU A 38 -4.190 -14.309 -2.380 1.00 0.00 N ATOM 569 CA GLU A 38 -4.850 -13.022 -2.003 1.00 0.00 C ATOM 570 C GLU A 38 -3.804 -11.986 -1.557 1.00 0.00 C ATOM 571 O GLU A 38 -2.898 -12.306 -0.814 1.00 0.00 O ATOM 572 CB GLU A 38 -5.788 -13.379 -0.843 1.00 0.00 C ATOM 573 CG GLU A 38 -6.155 -12.110 -0.068 1.00 0.00 C ATOM 574 CD GLU A 38 -7.666 -12.070 0.161 1.00 0.00 C ATOM 575 OE1 GLU A 38 -8.189 -13.030 0.701 1.00 0.00 O ATOM 576 OE2 GLU A 38 -8.275 -11.078 -0.207 1.00 0.00 O ATOM 0 H GLU A 38 -4.363 -14.616 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.388 -12.579 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.690 -13.857 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.305 -14.096 -0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.631 -12.091 0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.837 -11.228 -0.623 1.00 0.00 H new ATOM 583 N PRO A 39 -3.963 -10.766 -2.019 1.00 0.00 N ATOM 584 CA PRO A 39 -3.021 -9.685 -1.648 1.00 0.00 C ATOM 585 C PRO A 39 -3.102 -9.396 -0.146 1.00 0.00 C ATOM 586 O PRO A 39 -3.724 -10.122 0.603 1.00 0.00 O ATOM 587 CB PRO A 39 -3.534 -8.496 -2.464 1.00 0.00 C ATOM 588 CG PRO A 39 -4.763 -8.944 -3.276 1.00 0.00 C ATOM 589 CD PRO A 39 -5.075 -10.405 -2.929 1.00 0.00 C ATOM 0 HA PRO A 39 -1.977 -9.925 -1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.799 -7.671 -1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.753 -8.132 -3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.619 -8.310 -3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.568 -8.842 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.046 -10.508 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.094 -11.037 -3.817 1.00 0.00 H new ATOM 597 N SER A 40 -2.479 -8.341 0.297 1.00 0.00 N ATOM 598 CA SER A 40 -2.519 -8.004 1.748 1.00 0.00 C ATOM 599 C SER A 40 -1.832 -6.658 1.994 1.00 0.00 C ATOM 600 O SER A 40 -2.220 -5.900 2.860 1.00 0.00 O ATOM 601 CB SER A 40 -1.756 -9.134 2.437 1.00 0.00 C ATOM 602 OG SER A 40 -1.098 -8.623 3.589 1.00 0.00 O ATOM 0 H SER A 40 -1.943 -7.696 -0.283 1.00 0.00 H new ATOM 0 HA SER A 40 -3.537 -7.913 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.443 -9.932 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.028 -9.568 1.751 1.00 0.00 H new ATOM 0 HG SER A 40 -0.609 -9.346 4.034 1.00 0.00 H new ATOM 608 N THR A 41 -0.817 -6.355 1.233 1.00 0.00 N ATOM 609 CA THR A 41 -0.108 -5.056 1.418 1.00 0.00 C ATOM 610 C THR A 41 -0.760 -3.974 0.552 1.00 0.00 C ATOM 611 O THR A 41 -0.960 -4.152 -0.634 1.00 0.00 O ATOM 612 CB THR A 41 1.330 -5.318 0.965 1.00 0.00 C ATOM 613 OG1 THR A 41 1.939 -6.247 1.851 1.00 0.00 O ATOM 614 CG2 THR A 41 2.120 -4.008 0.975 1.00 0.00 C ATOM 0 H THR A 41 -0.447 -6.950 0.491 1.00 0.00 H new ATOM 0 HA THR A 41 -0.148 -4.705 2.449 1.00 0.00 H new ATOM 0 HB THR A 41 1.324 -5.726 -0.046 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.830 -5.938 2.775 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.144 -4.198 0.652 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.652 -3.295 0.296 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.129 -3.596 1.984 1.00 0.00 H new ATOM 622 N ILE A 42 -1.099 -2.857 1.136 1.00 0.00 N ATOM 623 CA ILE A 42 -1.746 -1.768 0.348 1.00 0.00 C ATOM 624 C ILE A 42 -0.745 -0.647 0.057 1.00 0.00 C ATOM 625 O ILE A 42 0.022 -0.248 0.910 1.00 0.00 O ATOM 626 CB ILE A 42 -2.876 -1.253 1.244 1.00 0.00 C ATOM 627 CG1 ILE A 42 -4.058 -2.220 1.171 1.00 0.00 C ATOM 628 CG2 ILE A 42 -3.325 0.141 0.782 1.00 0.00 C ATOM 629 CD1 ILE A 42 -3.849 -3.359 2.172 1.00 0.00 C ATOM 0 H ILE A 42 -0.956 -2.651 2.125 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.111 -2.122 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.516 -1.186 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.986 -1.693 1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.151 -2.621 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.129 0.497 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.483 0.831 0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.682 0.086 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.692 -4.048 2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.929 -3.891 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.777 -2.949 3.180 1.00 0.00 H new ATOM 641 N PHE A 43 -0.762 -0.126 -1.137 1.00 0.00 N ATOM 642 CA PHE A 43 0.171 0.980 -1.482 1.00 0.00 C ATOM 643 C PHE A 43 -0.620 2.284 -1.579 1.00 0.00 C ATOM 644 O PHE A 43 -1.768 2.295 -1.978 1.00 0.00 O ATOM 645 CB PHE A 43 0.776 0.589 -2.828 1.00 0.00 C ATOM 646 CG PHE A 43 1.705 -0.586 -2.625 1.00 0.00 C ATOM 647 CD1 PHE A 43 1.197 -1.815 -2.183 1.00 0.00 C ATOM 648 CD2 PHE A 43 3.076 -0.444 -2.870 1.00 0.00 C ATOM 649 CE1 PHE A 43 2.060 -2.899 -1.985 1.00 0.00 C ATOM 650 CE2 PHE A 43 3.938 -1.530 -2.674 1.00 0.00 C ATOM 651 CZ PHE A 43 3.430 -2.757 -2.231 1.00 0.00 C ATOM 0 H PHE A 43 -1.384 -0.420 -1.891 1.00 0.00 H new ATOM 0 HA PHE A 43 0.952 1.133 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.012 0.328 -3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.321 1.431 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.139 -1.926 -1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.469 0.503 -3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.668 -3.845 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.995 -1.421 -2.865 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.096 -3.594 -2.079 1.00 0.00 H new ATOM 661 N TYR A 44 -0.035 3.377 -1.186 1.00 0.00 N ATOM 662 CA TYR A 44 -0.780 4.668 -1.221 1.00 0.00 C ATOM 663 C TYR A 44 -0.066 5.711 -2.080 1.00 0.00 C ATOM 664 O TYR A 44 0.942 6.253 -1.683 1.00 0.00 O ATOM 665 CB TYR A 44 -0.768 5.134 0.222 1.00 0.00 C ATOM 666 CG TYR A 44 -1.747 4.343 1.044 1.00 0.00 C ATOM 667 CD1 TYR A 44 -3.076 4.221 0.634 1.00 0.00 C ATOM 668 CD2 TYR A 44 -1.322 3.759 2.238 1.00 0.00 C ATOM 669 CE1 TYR A 44 -3.983 3.506 1.427 1.00 0.00 C ATOM 670 CE2 TYR A 44 -2.227 3.052 3.033 1.00 0.00 C ATOM 671 CZ TYR A 44 -3.559 2.925 2.628 1.00 0.00 C ATOM 672 OH TYR A 44 -4.457 2.229 3.412 1.00 0.00 O ATOM 0 H TYR A 44 0.924 3.436 -0.843 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.777 4.541 -1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.234 5.025 0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.019 6.194 0.269 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.403 4.675 -0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.292 3.854 2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.011 3.403 1.111 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.898 2.604 3.959 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.000 1.889 4.210 1.00 0.00 H new ATOM 682 N LYS A 45 -0.598 6.027 -3.228 1.00 0.00 N ATOM 683 CA LYS A 45 0.047 7.068 -4.087 1.00 0.00 C ATOM 684 C LYS A 45 -0.507 8.456 -3.763 1.00 0.00 C ATOM 685 O LYS A 45 -1.626 8.787 -4.099 1.00 0.00 O ATOM 686 CB LYS A 45 -0.290 6.691 -5.532 1.00 0.00 C ATOM 687 CG LYS A 45 0.974 6.282 -6.283 1.00 0.00 C ATOM 688 CD LYS A 45 0.810 6.630 -7.759 1.00 0.00 C ATOM 689 CE LYS A 45 1.709 7.818 -8.105 1.00 0.00 C ATOM 690 NZ LYS A 45 1.925 7.722 -9.574 1.00 0.00 N ATOM 0 H LYS A 45 -1.448 5.613 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 45 1.123 7.105 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.008 5.871 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.762 7.535 -6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.841 6.797 -5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.152 5.213 -6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.070 5.771 -8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.231 6.873 -7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.236 8.762 -7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.653 7.769 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.927 7.519 -9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.337 6.957 -9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.662 8.622 -10.023 1.00 0.00 H new ATOM 704 N CYS A 46 0.278 9.277 -3.125 1.00 0.00 N ATOM 705 CA CYS A 46 -0.188 10.651 -2.793 1.00 0.00 C ATOM 706 C CYS A 46 -0.717 11.333 -4.061 1.00 0.00 C ATOM 707 O CYS A 46 -0.175 11.176 -5.136 1.00 0.00 O ATOM 708 CB CYS A 46 1.070 11.342 -2.240 1.00 0.00 C ATOM 709 SG CYS A 46 1.157 13.081 -2.751 1.00 0.00 S ATOM 0 H CYS A 46 1.225 9.055 -2.818 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.007 10.682 -2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.070 11.282 -1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.958 10.815 -2.589 1.00 0.00 H new ATOM 715 N THR A 47 -1.776 12.084 -3.937 1.00 0.00 N ATOM 716 CA THR A 47 -2.347 12.774 -5.129 1.00 0.00 C ATOM 717 C THR A 47 -1.720 14.162 -5.299 1.00 0.00 C ATOM 718 O THR A 47 -2.406 15.138 -5.525 1.00 0.00 O ATOM 719 CB THR A 47 -3.847 12.896 -4.839 1.00 0.00 C ATOM 720 OG1 THR A 47 -4.067 13.981 -3.948 1.00 0.00 O ATOM 721 CG2 THR A 47 -4.361 11.602 -4.204 1.00 0.00 C ATOM 0 H THR A 47 -2.272 12.250 -3.061 1.00 0.00 H new ATOM 0 HA THR A 47 -2.151 12.226 -6.050 1.00 0.00 H new ATOM 0 HB THR A 47 -4.381 13.073 -5.772 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.778 14.816 -4.372 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.428 11.695 -4.000 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.194 10.770 -4.888 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.828 11.418 -3.271 1.00 0.00 H new ATOM 729 N LYS A 48 -0.421 14.259 -5.195 1.00 0.00 N ATOM 730 CA LYS A 48 0.241 15.588 -5.354 1.00 0.00 C ATOM 731 C LYS A 48 1.581 15.433 -6.080 1.00 0.00 C ATOM 732 O LYS A 48 1.720 15.798 -7.231 1.00 0.00 O ATOM 733 CB LYS A 48 0.456 16.104 -3.931 1.00 0.00 C ATOM 734 CG LYS A 48 0.966 17.545 -3.983 1.00 0.00 C ATOM 735 CD LYS A 48 -0.225 18.506 -4.002 1.00 0.00 C ATOM 736 CE LYS A 48 0.060 19.653 -4.973 1.00 0.00 C ATOM 737 NZ LYS A 48 1.335 20.253 -4.491 1.00 0.00 N ATOM 0 H LYS A 48 0.209 13.479 -5.008 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.361 16.276 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.478 16.057 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.173 15.472 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.599 17.750 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.581 17.693 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.129 17.976 -4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.405 18.899 -3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.156 19.290 -5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.748 20.385 -4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.350 21.267 -4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.408 20.131 -3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.138 19.781 -4.954 1.00 0.00 H new ATOM 751 N CYS A 49 2.572 14.897 -5.420 1.00 0.00 N ATOM 752 CA CYS A 49 3.897 14.725 -6.080 1.00 0.00 C ATOM 753 C CYS A 49 3.941 13.395 -6.835 1.00 0.00 C ATOM 754 O CYS A 49 4.770 13.186 -7.699 1.00 0.00 O ATOM 755 CB CYS A 49 4.916 14.732 -4.941 1.00 0.00 C ATOM 756 SG CYS A 49 4.725 13.230 -3.953 1.00 0.00 S ATOM 0 H CYS A 49 2.521 14.572 -4.455 1.00 0.00 H new ATOM 0 HA CYS A 49 4.100 15.510 -6.808 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.927 14.789 -5.344 1.00 0.00 H new ATOM 0 HB3 CYS A 49 4.772 15.613 -4.315 1.00 0.00 H new ATOM 762 N GLY A 50 3.050 12.497 -6.520 1.00 0.00 N ATOM 763 CA GLY A 50 3.033 11.184 -7.221 1.00 0.00 C ATOM 764 C GLY A 50 4.024 10.223 -6.560 1.00 0.00 C ATOM 765 O GLY A 50 4.999 9.817 -7.158 1.00 0.00 O ATOM 0 H GLY A 50 2.332 12.616 -5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.029 10.760 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.291 11.320 -8.271 1.00 0.00 H new ATOM 769 N HIS A 51 3.777 9.844 -5.334 1.00 0.00 N ATOM 770 CA HIS A 51 4.697 8.896 -4.646 1.00 0.00 C ATOM 771 C HIS A 51 3.867 7.872 -3.878 1.00 0.00 C ATOM 772 O HIS A 51 2.828 8.197 -3.339 1.00 0.00 O ATOM 773 CB HIS A 51 5.516 9.759 -3.684 1.00 0.00 C ATOM 774 CG HIS A 51 6.263 8.872 -2.724 1.00 0.00 C ATOM 775 ND1 HIS A 51 7.332 8.087 -3.124 1.00 0.00 N ATOM 776 CD2 HIS A 51 6.104 8.634 -1.382 1.00 0.00 C ATOM 777 CE1 HIS A 51 7.773 7.420 -2.043 1.00 0.00 C ATOM 778 NE2 HIS A 51 7.059 7.716 -0.953 1.00 0.00 N ATOM 0 H HIS A 51 2.977 10.151 -4.780 1.00 0.00 H new ATOM 0 HA HIS A 51 5.342 8.351 -5.336 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.217 10.380 -4.242 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.859 10.434 -3.136 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.353 9.089 -0.754 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.603 6.729 -2.054 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.186 7.349 -0.010 1.00 0.00 H new ATOM 786 N THR A 52 4.287 6.639 -3.824 1.00 0.00 N ATOM 787 CA THR A 52 3.465 5.643 -3.083 1.00 0.00 C ATOM 788 C THR A 52 4.298 4.828 -2.102 1.00 0.00 C ATOM 789 O THR A 52 5.430 4.473 -2.364 1.00 0.00 O ATOM 790 CB THR A 52 2.864 4.714 -4.134 1.00 0.00 C ATOM 791 OG1 THR A 52 2.477 3.496 -3.515 1.00 0.00 O ATOM 792 CG2 THR A 52 3.889 4.423 -5.226 1.00 0.00 C ATOM 0 H THR A 52 5.143 6.284 -4.250 1.00 0.00 H new ATOM 0 HA THR A 52 2.703 6.156 -2.497 1.00 0.00 H new ATOM 0 HB THR A 52 1.995 5.196 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.837 2.741 -4.025 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.449 3.759 -5.970 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.187 5.357 -5.703 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.764 3.945 -4.786 1.00 0.00 H new ATOM 800 N TRP A 53 3.717 4.497 -0.985 1.00 0.00 N ATOM 801 CA TRP A 53 4.430 3.665 0.014 1.00 0.00 C ATOM 802 C TRP A 53 3.586 2.414 0.283 1.00 0.00 C ATOM 803 O TRP A 53 2.872 1.955 -0.587 1.00 0.00 O ATOM 804 CB TRP A 53 4.570 4.542 1.263 1.00 0.00 C ATOM 805 CG TRP A 53 3.272 5.221 1.564 1.00 0.00 C ATOM 806 CD1 TRP A 53 2.415 4.853 2.544 1.00 0.00 C ATOM 807 CD2 TRP A 53 2.674 6.379 0.910 1.00 0.00 C ATOM 808 NE1 TRP A 53 1.328 5.707 2.530 1.00 0.00 N ATOM 809 CE2 TRP A 53 1.440 6.664 1.541 1.00 0.00 C ATOM 810 CE3 TRP A 53 3.073 7.202 -0.161 1.00 0.00 C ATOM 811 CZ2 TRP A 53 0.634 7.723 1.126 1.00 0.00 C ATOM 812 CZ3 TRP A 53 2.259 8.269 -0.579 1.00 0.00 C ATOM 813 CH2 TRP A 53 1.042 8.526 0.065 1.00 0.00 C ATOM 0 H TRP A 53 2.770 4.771 -0.721 1.00 0.00 H new ATOM 0 HA TRP A 53 5.414 3.333 -0.317 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.875 3.932 2.113 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.351 5.286 1.108 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.557 4.027 3.226 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.539 5.638 3.172 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.010 7.012 -0.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.303 7.919 1.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.574 8.894 -1.401 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.421 9.347 -0.262 1.00 0.00 H new ATOM 824 N ARG A 54 3.647 1.847 1.453 1.00 0.00 N ATOM 825 CA ARG A 54 2.825 0.626 1.704 1.00 0.00 C ATOM 826 C ARG A 54 2.092 0.716 3.044 1.00 0.00 C ATOM 827 O ARG A 54 2.520 1.385 3.962 1.00 0.00 O ATOM 828 CB ARG A 54 3.820 -0.536 1.714 1.00 0.00 C ATOM 829 CG ARG A 54 5.076 -0.137 2.492 1.00 0.00 C ATOM 830 CD ARG A 54 6.146 0.351 1.513 1.00 0.00 C ATOM 831 NE ARG A 54 7.440 0.142 2.220 1.00 0.00 N ATOM 832 CZ ARG A 54 8.557 0.138 1.547 1.00 0.00 C ATOM 833 NH1 ARG A 54 8.772 -0.781 0.646 1.00 0.00 N ATOM 834 NH2 ARG A 54 9.462 1.051 1.777 1.00 0.00 N ATOM 0 H ARG A 54 4.218 2.166 2.236 1.00 0.00 H new ATOM 0 HA ARG A 54 2.055 0.501 0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.363 -1.414 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.085 -0.808 0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.839 0.648 3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.450 -0.988 3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.112 -0.210 0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.000 1.401 1.260 1.00 0.00 H new ATOM 0 HE ARG A 54 7.453 0.002 3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.067 -1.496 0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.646 -0.784 0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.295 1.768 2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.335 1.047 1.250 1.00 0.00 H new ATOM 848 N SER A 55 0.982 0.035 3.152 1.00 0.00 N ATOM 849 CA SER A 55 0.200 0.060 4.418 1.00 0.00 C ATOM 850 C SER A 55 0.545 -1.163 5.273 1.00 0.00 C ATOM 851 O SER A 55 -0.144 -1.486 6.220 1.00 0.00 O ATOM 852 CB SER A 55 -1.261 0.004 3.972 1.00 0.00 C ATOM 853 OG SER A 55 -1.392 0.649 2.712 1.00 0.00 O ATOM 0 H SER A 55 0.583 -0.541 2.411 1.00 0.00 H new ATOM 0 HA SER A 55 0.412 0.942 5.023 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.592 -1.032 3.899 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.898 0.491 4.711 1.00 0.00 H new ATOM 0 HG SER A 55 -1.450 1.618 2.845 1.00 0.00 H new ATOM 859 N TYR A 56 1.604 -1.850 4.940 1.00 0.00 N ATOM 860 CA TYR A 56 1.989 -3.057 5.727 1.00 0.00 C ATOM 861 C TYR A 56 2.549 -2.652 7.095 1.00 0.00 C ATOM 862 O TYR A 56 2.829 -3.488 7.931 1.00 0.00 O ATOM 863 CB TYR A 56 3.067 -3.747 4.891 1.00 0.00 C ATOM 864 CG TYR A 56 3.199 -5.186 5.328 1.00 0.00 C ATOM 865 CD1 TYR A 56 2.140 -6.080 5.122 1.00 0.00 C ATOM 866 CD2 TYR A 56 4.378 -5.627 5.939 1.00 0.00 C ATOM 867 CE1 TYR A 56 2.261 -7.414 5.528 1.00 0.00 C ATOM 868 CE2 TYR A 56 4.499 -6.962 6.346 1.00 0.00 C ATOM 869 CZ TYR A 56 3.441 -7.855 6.140 1.00 0.00 C ATOM 870 OH TYR A 56 3.559 -9.171 6.540 1.00 0.00 O ATOM 0 H TYR A 56 2.219 -1.628 4.157 1.00 0.00 H new ATOM 0 HA TYR A 56 1.137 -3.710 5.918 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.808 -3.699 3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.020 -3.231 5.009 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.230 -5.740 4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.195 -4.938 6.097 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.445 -8.103 5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.409 -7.302 6.819 1.00 0.00 H new ATOM 0 HH TYR A 56 4.440 -9.312 6.946 1.00 0.00 H new ATOM 880 N GLU A 57 2.716 -1.379 7.331 1.00 0.00 N ATOM 881 CA GLU A 57 3.258 -0.935 8.647 1.00 0.00 C ATOM 882 C GLU A 57 2.213 -0.103 9.397 1.00 0.00 C ATOM 883 O GLU A 57 1.202 -0.668 9.782 1.00 0.00 O ATOM 884 CB GLU A 57 4.479 -0.082 8.305 1.00 0.00 C ATOM 885 CG GLU A 57 5.328 0.121 9.562 1.00 0.00 C ATOM 886 CD GLU A 57 5.717 1.596 9.682 1.00 0.00 C ATOM 887 OE1 GLU A 57 4.825 2.428 9.654 1.00 0.00 O ATOM 888 OE2 GLU A 57 6.901 1.869 9.798 1.00 0.00 O ATOM 889 OXT GLU A 57 2.443 1.081 9.573 1.00 0.00 O ATOM 0 H GLU A 57 2.502 -0.630 6.673 1.00 0.00 H new ATOM 0 HA GLU A 57 3.516 -1.775 9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.070 -0.568 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.162 0.882 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.771 -0.192 10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.223 -0.499 9.513 1.00 0.00 H new TER 896 GLU A 57 HETATM 897 ZN ZN A 58 3.307 13.646 -2.191 1.00 0.00 ZN