USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 446 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD Single : A 1 SER N :NH3+ -169:sc= -0.0148 (180deg=-0.14) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 166:sc= -0.0582 (180deg=-0.318) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 97:sc= 0.595 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -2.53! C(o=-2.5!,f=-2.8!) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0.825 (180deg=0.773) USER MOD Single : A 30 SER OG : rot -68:sc= 0.306 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0651 X(o=-0.065,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 38 HIS : no HE2:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Single : A 40 MET CE :methyl -160:sc= -0.188 (180deg=-0.722) USER MOD Single : A 41 ASN : amide:sc= -0.0705 X(o=-0.07,f=-0.045) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= 0.0577 (180deg=0.00982) USER MOD Single : A 50 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0964 USER MOD Single : A 60 LYS NZ :NH3+ -116:sc= 0.595 (180deg=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.573 2.926 4.888 1.00 0.00 N ATOM 2 CA SER A 1 4.791 2.801 5.717 1.00 0.00 C ATOM 3 C SER A 1 5.782 1.796 5.092 1.00 0.00 C ATOM 4 O SER A 1 7.002 1.967 5.210 1.00 0.00 O ATOM 5 CB SER A 1 4.402 2.385 7.158 1.00 0.00 C ATOM 6 OG SER A 1 3.448 3.288 7.717 1.00 0.00 O ATOM 0 H1 SER A 1 3.008 3.734 5.220 1.00 0.00 H new ATOM 0 H2 SER A 1 3.843 3.077 3.895 1.00 0.00 H new ATOM 0 H3 SER A 1 3.010 2.055 4.965 1.00 0.00 H new ATOM 0 HA SER A 1 5.292 3.768 5.758 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.990 1.376 7.149 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.293 2.360 7.785 1.00 0.00 H new ATOM 0 HG SER A 1 3.219 3.001 8.626 1.00 0.00 H new ATOM 14 N HIS A 2 5.247 0.749 4.436 1.00 0.00 N ATOM 15 CA HIS A 2 6.062 -0.310 3.797 1.00 0.00 C ATOM 16 C HIS A 2 6.598 0.137 2.418 1.00 0.00 C ATOM 17 O HIS A 2 6.148 1.146 1.856 1.00 0.00 O ATOM 18 CB HIS A 2 5.218 -1.600 3.643 1.00 0.00 C ATOM 19 CG HIS A 2 4.805 -2.223 4.953 1.00 0.00 C ATOM 20 ND1 HIS A 2 3.576 -1.978 5.512 1.00 0.00 N ATOM 21 CD2 HIS A 2 5.493 -3.070 5.761 1.00 0.00 C ATOM 22 CE1 HIS A 2 3.541 -2.677 6.635 1.00 0.00 C ATOM 23 NE2 HIS A 2 4.679 -3.352 6.827 1.00 0.00 N ATOM 0 H HIS A 2 4.242 0.611 4.332 1.00 0.00 H new ATOM 0 HA HIS A 2 6.920 -0.507 4.440 1.00 0.00 H new ATOM 0 HB2 HIS A 2 4.324 -1.370 3.064 1.00 0.00 H new ATOM 0 HB3 HIS A 2 5.790 -2.330 3.070 1.00 0.00 H new ATOM 0 HD2 HIS A 2 6.491 -3.449 5.595 1.00 0.00 H new ATOM 0 HE1 HIS A 2 2.699 -2.699 7.311 1.00 0.00 H new ATOM 0 HE2 HIS A 2 4.899 -3.960 7.616 1.00 0.00 H new ATOM 31 N MET A 3 7.557 -0.634 1.883 1.00 0.00 N ATOM 32 CA MET A 3 8.139 -0.399 0.550 1.00 0.00 C ATOM 33 C MET A 3 7.241 -1.034 -0.542 1.00 0.00 C ATOM 34 O MET A 3 6.862 -2.210 -0.420 1.00 0.00 O ATOM 35 CB MET A 3 9.578 -0.979 0.492 1.00 0.00 C ATOM 36 CG MET A 3 10.570 -0.292 1.454 1.00 0.00 C ATOM 37 SD MET A 3 12.233 -1.008 1.410 1.00 0.00 S ATOM 38 CE MET A 3 12.730 -0.740 -0.295 1.00 0.00 C ATOM 0 H MET A 3 7.953 -1.442 2.364 1.00 0.00 H new ATOM 0 HA MET A 3 8.193 0.674 0.365 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.540 -2.043 0.725 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.954 -0.889 -0.527 1.00 0.00 H new ATOM 0 HG2 MET A 3 10.632 0.767 1.204 1.00 0.00 H new ATOM 0 HG3 MET A 3 10.182 -0.357 2.471 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.804 -0.903 -0.391 1.00 0.00 H new ATOM 0 HE2 MET A 3 12.198 -1.437 -0.943 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.490 0.282 -0.587 1.00 0.00 H new ATOM 48 N PRO A 4 6.879 -0.254 -1.627 1.00 0.00 N ATOM 49 CA PRO A 4 5.944 -0.713 -2.696 1.00 0.00 C ATOM 50 C PRO A 4 6.427 -1.946 -3.489 1.00 0.00 C ATOM 51 O PRO A 4 5.608 -2.609 -4.142 1.00 0.00 O ATOM 52 CB PRO A 4 5.812 0.530 -3.621 1.00 0.00 C ATOM 53 CG PRO A 4 6.229 1.687 -2.763 1.00 0.00 C ATOM 54 CD PRO A 4 7.319 1.150 -1.875 1.00 0.00 C ATOM 0 HA PRO A 4 5.003 -1.052 -2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.449 0.439 -4.501 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.790 0.651 -3.979 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.590 2.517 -3.370 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.392 2.062 -2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.294 1.189 -2.362 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.403 1.718 -0.948 1.00 0.00 H new ATOM 62 N THR A 5 7.758 -2.218 -3.432 1.00 0.00 N ATOM 63 CA THR A 5 8.423 -3.323 -4.164 1.00 0.00 C ATOM 64 C THR A 5 8.452 -3.029 -5.691 1.00 0.00 C ATOM 65 O THR A 5 7.716 -2.161 -6.176 1.00 0.00 O ATOM 66 CB THR A 5 7.755 -4.722 -3.853 1.00 0.00 C ATOM 67 OG1 THR A 5 7.669 -4.892 -2.427 1.00 0.00 O ATOM 68 CG2 THR A 5 8.525 -5.918 -4.445 1.00 0.00 C ATOM 0 H THR A 5 8.405 -1.667 -2.868 1.00 0.00 H new ATOM 0 HA THR A 5 9.453 -3.383 -3.812 1.00 0.00 H new ATOM 0 HB THR A 5 6.771 -4.711 -4.321 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.254 -5.757 -2.225 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.009 -6.844 -4.192 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.577 -5.816 -5.529 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.534 -5.941 -4.033 1.00 0.00 H new ATOM 76 N SER A 6 9.357 -3.701 -6.424 1.00 0.00 N ATOM 77 CA SER A 6 9.387 -3.668 -7.902 1.00 0.00 C ATOM 78 C SER A 6 8.034 -4.143 -8.481 1.00 0.00 C ATOM 79 O SER A 6 7.471 -5.123 -7.992 1.00 0.00 O ATOM 80 CB SER A 6 10.551 -4.543 -8.413 1.00 0.00 C ATOM 81 OG SER A 6 10.574 -5.814 -7.775 1.00 0.00 O ATOM 0 H SER A 6 10.088 -4.282 -6.012 1.00 0.00 H new ATOM 0 HA SER A 6 9.548 -2.644 -8.238 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.458 -4.679 -9.491 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.496 -4.030 -8.236 1.00 0.00 H new ATOM 0 HG SER A 6 10.131 -6.475 -8.347 1.00 0.00 H new ATOM 87 N GLU A 7 7.518 -3.423 -9.502 1.00 0.00 N ATOM 88 CA GLU A 7 6.163 -3.644 -10.050 1.00 0.00 C ATOM 89 C GLU A 7 6.061 -4.998 -10.778 1.00 0.00 C ATOM 90 O GLU A 7 5.189 -5.817 -10.452 1.00 0.00 O ATOM 91 CB GLU A 7 5.768 -2.468 -10.991 1.00 0.00 C ATOM 92 CG GLU A 7 4.283 -2.466 -11.425 1.00 0.00 C ATOM 93 CD GLU A 7 3.896 -1.255 -12.303 1.00 0.00 C ATOM 94 OE1 GLU A 7 3.907 -0.113 -11.792 1.00 0.00 O ATOM 95 OE2 GLU A 7 3.573 -1.436 -13.501 1.00 0.00 O ATOM 0 H GLU A 7 8.029 -2.673 -9.968 1.00 0.00 H new ATOM 0 HA GLU A 7 5.460 -3.675 -9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.988 -1.527 -10.487 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.394 -2.506 -11.882 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.072 -3.384 -11.974 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.653 -2.475 -10.535 1.00 0.00 H new ATOM 102 N GLU A 8 6.956 -5.192 -11.775 1.00 0.00 N ATOM 103 CA GLU A 8 7.107 -6.459 -12.540 1.00 0.00 C ATOM 104 C GLU A 8 5.747 -6.930 -13.144 1.00 0.00 C ATOM 105 O GLU A 8 4.881 -6.104 -13.433 1.00 0.00 O ATOM 106 CB GLU A 8 7.740 -7.546 -11.623 1.00 0.00 C ATOM 107 CG GLU A 8 9.109 -7.169 -11.029 1.00 0.00 C ATOM 108 CD GLU A 8 9.706 -8.284 -10.158 1.00 0.00 C ATOM 109 OE1 GLU A 8 10.356 -9.196 -10.706 1.00 0.00 O ATOM 110 OE2 GLU A 8 9.522 -8.266 -8.924 1.00 0.00 O ATOM 0 H GLU A 8 7.604 -4.465 -12.077 1.00 0.00 H new ATOM 0 HA GLU A 8 7.774 -6.284 -13.384 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.051 -7.759 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.849 -8.467 -12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.800 -6.937 -11.839 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.004 -6.264 -10.431 1.00 0.00 H new ATOM 117 N ASP A 9 5.583 -8.253 -13.341 1.00 0.00 N ATOM 118 CA ASP A 9 4.275 -8.872 -13.658 1.00 0.00 C ATOM 119 C ASP A 9 3.625 -9.412 -12.366 1.00 0.00 C ATOM 120 O ASP A 9 2.818 -10.352 -12.409 1.00 0.00 O ATOM 121 CB ASP A 9 4.453 -10.013 -14.701 1.00 0.00 C ATOM 122 CG ASP A 9 5.081 -9.524 -16.015 1.00 0.00 C ATOM 123 OD1 ASP A 9 4.349 -9.026 -16.884 1.00 0.00 O ATOM 124 OD2 ASP A 9 6.310 -9.640 -16.179 1.00 0.00 O ATOM 0 H ASP A 9 6.350 -8.923 -13.286 1.00 0.00 H new ATOM 0 HA ASP A 9 3.620 -8.116 -14.091 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.079 -10.796 -14.273 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.482 -10.461 -14.912 1.00 0.00 H new ATOM 129 N LEU A 10 3.967 -8.784 -11.219 1.00 0.00 N ATOM 130 CA LEU A 10 3.460 -9.186 -9.898 1.00 0.00 C ATOM 131 C LEU A 10 1.957 -8.906 -9.772 1.00 0.00 C ATOM 132 O LEU A 10 1.450 -7.932 -10.337 1.00 0.00 O ATOM 133 CB LEU A 10 4.233 -8.465 -8.763 1.00 0.00 C ATOM 134 CG LEU A 10 5.760 -8.771 -8.686 1.00 0.00 C ATOM 135 CD1 LEU A 10 6.424 -8.033 -7.505 1.00 0.00 C ATOM 136 CD2 LEU A 10 6.035 -10.293 -8.612 1.00 0.00 C ATOM 0 H LEU A 10 4.602 -7.986 -11.188 1.00 0.00 H new ATOM 0 HA LEU A 10 3.619 -10.260 -9.800 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.102 -7.390 -8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.778 -8.735 -7.810 1.00 0.00 H new ATOM 0 HG LEU A 10 6.208 -8.399 -9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.488 -8.269 -7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.293 -6.958 -7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.961 -8.350 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.110 -10.466 -8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.557 -10.706 -7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.632 -10.779 -9.500 1.00 0.00 H new ATOM 148 N CYS A 11 1.263 -9.796 -9.047 1.00 0.00 N ATOM 149 CA CYS A 11 -0.155 -9.626 -8.707 1.00 0.00 C ATOM 150 C CYS A 11 -0.336 -8.331 -7.884 1.00 0.00 C ATOM 151 O CYS A 11 0.227 -8.235 -6.799 1.00 0.00 O ATOM 152 CB CYS A 11 -0.652 -10.842 -7.891 1.00 0.00 C ATOM 153 SG CYS A 11 -2.391 -10.714 -7.354 1.00 0.00 S ATOM 0 H CYS A 11 1.672 -10.655 -8.680 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.739 -9.555 -9.625 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.534 -11.743 -8.493 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.019 -10.960 -7.012 1.00 0.00 H new ATOM 158 N PRO A 12 -1.123 -7.318 -8.368 1.00 0.00 N ATOM 159 CA PRO A 12 -1.242 -5.990 -7.681 1.00 0.00 C ATOM 160 C PRO A 12 -1.927 -6.084 -6.299 1.00 0.00 C ATOM 161 O PRO A 12 -1.859 -5.157 -5.490 1.00 0.00 O ATOM 162 CB PRO A 12 -2.092 -5.162 -8.678 1.00 0.00 C ATOM 163 CG PRO A 12 -2.895 -6.187 -9.421 1.00 0.00 C ATOM 164 CD PRO A 12 -1.967 -7.366 -9.598 1.00 0.00 C ATOM 0 HA PRO A 12 -0.269 -5.551 -7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.736 -4.453 -8.158 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.462 -4.584 -9.354 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.787 -6.469 -8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.230 -5.802 -10.384 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.517 -8.304 -9.674 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.367 -7.274 -10.503 1.00 0.00 H new ATOM 172 N ILE A 13 -2.581 -7.226 -6.062 1.00 0.00 N ATOM 173 CA ILE A 13 -3.328 -7.516 -4.832 1.00 0.00 C ATOM 174 C ILE A 13 -2.391 -8.096 -3.733 1.00 0.00 C ATOM 175 O ILE A 13 -2.716 -8.039 -2.546 1.00 0.00 O ATOM 176 CB ILE A 13 -4.482 -8.539 -5.174 1.00 0.00 C ATOM 177 CG1 ILE A 13 -5.319 -8.033 -6.406 1.00 0.00 C ATOM 178 CG2 ILE A 13 -5.398 -8.820 -3.949 1.00 0.00 C ATOM 179 CD1 ILE A 13 -6.376 -9.001 -6.916 1.00 0.00 C ATOM 0 H ILE A 13 -2.607 -7.992 -6.735 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.755 -6.592 -4.441 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.013 -9.486 -5.439 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.808 -7.098 -6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.633 -7.807 -7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.177 -9.529 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.803 -9.240 -3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.858 -7.889 -3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.896 -8.558 -7.765 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.899 -9.930 -7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.092 -9.210 -6.121 1.00 0.00 H new ATOM 191 N CYS A 14 -1.214 -8.633 -4.138 1.00 0.00 N ATOM 192 CA CYS A 14 -0.339 -9.415 -3.223 1.00 0.00 C ATOM 193 C CYS A 14 1.144 -9.000 -3.337 1.00 0.00 C ATOM 194 O CYS A 14 1.802 -8.744 -2.329 1.00 0.00 O ATOM 195 CB CYS A 14 -0.478 -10.916 -3.533 1.00 0.00 C ATOM 196 SG CYS A 14 -2.186 -11.549 -3.556 1.00 0.00 S ATOM 0 H CYS A 14 -0.848 -8.541 -5.086 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.662 -9.208 -2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.021 -11.114 -4.503 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.091 -11.478 -2.792 1.00 0.00 H new ATOM 201 N TYR A 15 1.650 -8.985 -4.589 1.00 0.00 N ATOM 202 CA TYR A 15 3.061 -8.655 -4.969 1.00 0.00 C ATOM 203 C TYR A 15 4.038 -9.827 -4.735 1.00 0.00 C ATOM 204 O TYR A 15 4.906 -10.067 -5.567 1.00 0.00 O ATOM 205 CB TYR A 15 3.605 -7.338 -4.321 1.00 0.00 C ATOM 206 CG TYR A 15 2.982 -6.050 -4.896 1.00 0.00 C ATOM 207 CD1 TYR A 15 1.794 -5.529 -4.382 1.00 0.00 C ATOM 208 CD2 TYR A 15 3.594 -5.353 -5.943 1.00 0.00 C ATOM 209 CE1 TYR A 15 1.235 -4.375 -4.893 1.00 0.00 C ATOM 210 CE2 TYR A 15 3.034 -4.195 -6.458 1.00 0.00 C ATOM 211 CZ TYR A 15 1.859 -3.708 -5.925 1.00 0.00 C ATOM 212 OH TYR A 15 1.305 -2.544 -6.426 1.00 0.00 O ATOM 0 H TYR A 15 1.074 -9.209 -5.401 1.00 0.00 H new ATOM 0 HA TYR A 15 3.010 -8.474 -6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.420 -7.371 -3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.686 -7.298 -4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.302 -6.039 -3.567 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.520 -5.724 -6.357 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.310 -3.995 -4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.516 -3.676 -7.273 1.00 0.00 H new ATOM 0 HH TYR A 15 1.869 -2.198 -7.149 1.00 0.00 H new ATOM 222 N ALA A 16 3.891 -10.569 -3.624 1.00 0.00 N ATOM 223 CA ALA A 16 4.815 -11.676 -3.275 1.00 0.00 C ATOM 224 C ALA A 16 4.780 -12.849 -4.301 1.00 0.00 C ATOM 225 O ALA A 16 5.659 -13.705 -4.287 1.00 0.00 O ATOM 226 CB ALA A 16 4.527 -12.164 -1.854 1.00 0.00 C ATOM 0 H ALA A 16 3.141 -10.426 -2.947 1.00 0.00 H new ATOM 0 HA ALA A 16 5.830 -11.280 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.209 -12.977 -1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.668 -11.343 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.499 -12.521 -1.793 1.00 0.00 H new ATOM 232 N HIS A 17 3.749 -12.880 -5.171 1.00 0.00 N ATOM 233 CA HIS A 17 3.653 -13.824 -6.313 1.00 0.00 C ATOM 234 C HIS A 17 3.134 -13.070 -7.564 1.00 0.00 C ATOM 235 O HIS A 17 2.382 -12.091 -7.421 1.00 0.00 O ATOM 236 CB HIS A 17 2.716 -15.026 -5.975 1.00 0.00 C ATOM 237 CG HIS A 17 3.310 -16.071 -5.055 1.00 0.00 C ATOM 238 ND1 HIS A 17 3.873 -17.237 -5.517 1.00 0.00 N ATOM 239 CD2 HIS A 17 3.399 -16.129 -3.704 1.00 0.00 C ATOM 240 CE1 HIS A 17 4.288 -17.956 -4.498 1.00 0.00 C ATOM 241 NE2 HIS A 17 4.013 -17.311 -3.388 1.00 0.00 N ATOM 0 H HIS A 17 2.952 -12.247 -5.103 1.00 0.00 H new ATOM 0 HA HIS A 17 4.646 -14.226 -6.517 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.806 -14.638 -5.518 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.423 -15.510 -6.907 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.050 -15.382 -3.006 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.775 -18.918 -4.563 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.223 -17.637 -2.445 1.00 0.00 H new ATOM 250 N PRO A 18 3.529 -13.509 -8.814 1.00 0.00 N ATOM 251 CA PRO A 18 3.060 -12.887 -10.079 1.00 0.00 C ATOM 252 C PRO A 18 1.609 -13.271 -10.463 1.00 0.00 C ATOM 253 O PRO A 18 0.833 -13.753 -9.627 1.00 0.00 O ATOM 254 CB PRO A 18 4.095 -13.395 -11.110 1.00 0.00 C ATOM 255 CG PRO A 18 4.484 -14.742 -10.601 1.00 0.00 C ATOM 256 CD PRO A 18 4.497 -14.615 -9.092 1.00 0.00 C ATOM 0 HA PRO A 18 3.007 -11.800 -10.010 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.665 -13.455 -12.110 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.955 -12.729 -11.173 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.775 -15.504 -10.925 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.463 -15.037 -10.979 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.191 -15.544 -8.611 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.493 -14.376 -8.720 1.00 0.00 H new ATOM 264 N ILE A 19 1.241 -12.986 -11.728 1.00 0.00 N ATOM 265 CA ILE A 19 -0.067 -13.362 -12.299 1.00 0.00 C ATOM 266 C ILE A 19 -0.076 -14.861 -12.690 1.00 0.00 C ATOM 267 O ILE A 19 0.961 -15.424 -13.063 1.00 0.00 O ATOM 268 CB ILE A 19 -0.408 -12.484 -13.563 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.373 -10.954 -13.220 1.00 0.00 C ATOM 270 CG2 ILE A 19 -1.779 -12.874 -14.174 1.00 0.00 C ATOM 271 CD1 ILE A 19 -0.586 -10.026 -14.414 1.00 0.00 C ATOM 0 H ILE A 19 1.844 -12.488 -12.383 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.826 -13.184 -11.537 1.00 0.00 H new ATOM 0 HB ILE A 19 0.361 -12.683 -14.309 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.140 -10.745 -12.474 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.588 -10.720 -12.763 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.981 -12.248 -15.043 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.758 -13.921 -14.477 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.563 -12.728 -13.431 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.545 -8.989 -14.081 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.195 -10.200 -15.154 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.560 -10.226 -14.861 1.00 0.00 H new ATOM 283 N SER A 20 -1.264 -15.489 -12.607 1.00 0.00 N ATOM 284 CA SER A 20 -1.457 -16.916 -12.923 1.00 0.00 C ATOM 285 C SER A 20 -2.730 -17.130 -13.767 1.00 0.00 C ATOM 286 O SER A 20 -2.790 -18.037 -14.603 1.00 0.00 O ATOM 287 CB SER A 20 -1.574 -17.706 -11.605 1.00 0.00 C ATOM 288 OG SER A 20 -0.544 -17.347 -10.689 1.00 0.00 O ATOM 0 H SER A 20 -2.121 -15.018 -12.317 1.00 0.00 H new ATOM 0 HA SER A 20 -0.603 -17.267 -13.502 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.547 -17.518 -11.152 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.521 -18.774 -11.814 1.00 0.00 H new ATOM 0 HG SER A 20 -0.646 -17.864 -9.863 1.00 0.00 H new ATOM 294 N ALA A 21 -3.753 -16.283 -13.527 1.00 0.00 N ATOM 295 CA ALA A 21 -5.109 -16.463 -14.083 1.00 0.00 C ATOM 296 C ALA A 21 -5.624 -15.176 -14.744 1.00 0.00 C ATOM 297 O ALA A 21 -5.227 -14.066 -14.364 1.00 0.00 O ATOM 298 CB ALA A 21 -6.063 -16.920 -12.963 1.00 0.00 C ATOM 0 H ALA A 21 -3.661 -15.453 -12.941 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.067 -17.227 -14.859 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.065 -17.054 -13.371 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.711 -17.864 -12.548 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.089 -16.166 -12.177 1.00 0.00 H new ATOM 304 N VAL A 22 -6.519 -15.355 -15.724 1.00 0.00 N ATOM 305 CA VAL A 22 -7.209 -14.270 -16.441 1.00 0.00 C ATOM 306 C VAL A 22 -8.725 -14.554 -16.406 1.00 0.00 C ATOM 307 O VAL A 22 -9.157 -15.710 -16.560 1.00 0.00 O ATOM 308 CB VAL A 22 -6.688 -14.126 -17.926 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.859 -15.430 -18.742 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.344 -12.923 -18.649 1.00 0.00 C ATOM 0 H VAL A 22 -6.792 -16.282 -16.050 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.998 -13.320 -15.949 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.618 -13.931 -17.859 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.486 -15.277 -19.755 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.297 -16.234 -18.266 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.915 -15.699 -18.781 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.960 -12.857 -19.667 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.425 -13.061 -18.677 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.109 -12.004 -18.113 1.00 0.00 H new ATOM 320 N PHE A 23 -9.526 -13.500 -16.185 1.00 0.00 N ATOM 321 CA PHE A 23 -10.968 -13.630 -15.895 1.00 0.00 C ATOM 322 C PHE A 23 -11.808 -13.183 -17.099 1.00 0.00 C ATOM 323 O PHE A 23 -11.901 -11.985 -17.394 1.00 0.00 O ATOM 324 CB PHE A 23 -11.333 -12.803 -14.627 1.00 0.00 C ATOM 325 CG PHE A 23 -10.431 -13.103 -13.429 1.00 0.00 C ATOM 326 CD1 PHE A 23 -10.218 -14.418 -13.012 1.00 0.00 C ATOM 327 CD2 PHE A 23 -9.781 -12.081 -12.745 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.387 -14.695 -11.952 1.00 0.00 C ATOM 329 CE2 PHE A 23 -8.955 -12.360 -11.680 1.00 0.00 C ATOM 330 CZ PHE A 23 -8.753 -13.669 -11.286 1.00 0.00 C ATOM 0 H PHE A 23 -9.196 -12.535 -16.202 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.193 -14.679 -15.703 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.270 -11.741 -14.864 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.368 -13.008 -14.354 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.712 -15.228 -13.528 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.926 -11.056 -13.053 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.231 -15.718 -11.641 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.465 -11.556 -11.152 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.098 -13.888 -10.456 1.00 0.00 H new ATOM 340 N GLN A 24 -12.383 -14.166 -17.803 1.00 0.00 N ATOM 341 CA GLN A 24 -13.314 -13.941 -18.923 1.00 0.00 C ATOM 342 C GLN A 24 -14.739 -13.685 -18.396 1.00 0.00 C ATOM 343 O GLN A 24 -15.101 -14.216 -17.344 1.00 0.00 O ATOM 344 CB GLN A 24 -13.299 -15.163 -19.886 1.00 0.00 C ATOM 345 CG GLN A 24 -12.129 -15.187 -20.877 1.00 0.00 C ATOM 346 CD GLN A 24 -10.752 -15.159 -20.212 1.00 0.00 C ATOM 347 OE1 GLN A 24 -10.146 -14.101 -20.033 1.00 0.00 O ATOM 348 NE2 GLN A 24 -10.277 -16.318 -19.790 1.00 0.00 N ATOM 0 H GLN A 24 -12.215 -15.153 -17.611 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.990 -13.059 -19.475 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.272 -16.076 -19.291 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.233 -15.176 -20.448 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.206 -16.083 -21.493 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.216 -14.331 -21.547 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.804 -17.176 -19.955 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.383 -16.355 -19.300 1.00 0.00 H new ATOM 357 N PRO A 25 -15.573 -12.872 -19.115 1.00 0.00 N ATOM 358 CA PRO A 25 -15.220 -12.139 -20.345 1.00 0.00 C ATOM 359 C PRO A 25 -14.841 -10.680 -20.025 1.00 0.00 C ATOM 360 O PRO A 25 -15.668 -9.763 -20.122 1.00 0.00 O ATOM 361 CB PRO A 25 -16.532 -12.249 -21.179 1.00 0.00 C ATOM 362 CG PRO A 25 -17.609 -12.668 -20.193 1.00 0.00 C ATOM 363 CD PRO A 25 -16.980 -12.625 -18.812 1.00 0.00 C ATOM 0 HA PRO A 25 -14.351 -12.533 -20.872 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.779 -11.297 -21.648 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.427 -12.981 -21.980 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.466 -11.997 -20.248 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -17.973 -13.670 -20.421 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -17.130 -11.662 -18.325 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.395 -13.385 -18.150 1.00 0.00 H new ATOM 371 N CYS A 26 -13.586 -10.482 -19.600 1.00 0.00 N ATOM 372 CA CYS A 26 -13.092 -9.166 -19.170 1.00 0.00 C ATOM 373 C CYS A 26 -11.639 -8.933 -19.584 1.00 0.00 C ATOM 374 O CYS A 26 -11.355 -8.031 -20.375 1.00 0.00 O ATOM 375 CB CYS A 26 -13.227 -9.001 -17.652 1.00 0.00 C ATOM 376 SG CYS A 26 -12.483 -7.465 -17.056 1.00 0.00 S ATOM 0 H CYS A 26 -12.888 -11.224 -19.544 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.710 -8.421 -19.671 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.282 -9.020 -17.380 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.754 -9.848 -17.154 1.00 0.00 H new ATOM 381 N GLY A 27 -10.716 -9.740 -19.032 1.00 0.00 N ATOM 382 CA GLY A 27 -9.280 -9.569 -19.292 1.00 0.00 C ATOM 383 C GLY A 27 -8.475 -9.178 -18.060 1.00 0.00 C ATOM 384 O GLY A 27 -7.246 -9.204 -18.120 1.00 0.00 O ATOM 0 H GLY A 27 -10.940 -10.513 -18.406 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.880 -10.499 -19.696 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.147 -8.806 -20.059 1.00 0.00 H new ATOM 388 N HIS A 28 -9.153 -8.788 -16.947 1.00 0.00 N ATOM 389 CA HIS A 28 -8.473 -8.564 -15.639 1.00 0.00 C ATOM 390 C HIS A 28 -7.752 -9.847 -15.188 1.00 0.00 C ATOM 391 O HIS A 28 -8.288 -10.951 -15.338 1.00 0.00 O ATOM 392 CB HIS A 28 -9.454 -8.099 -14.514 1.00 0.00 C ATOM 393 CG HIS A 28 -9.682 -6.603 -14.429 1.00 0.00 C ATOM 394 ND1 HIS A 28 -10.932 -6.090 -14.225 1.00 0.00 N ATOM 395 CD2 HIS A 28 -8.789 -5.587 -14.468 1.00 0.00 C ATOM 396 CE1 HIS A 28 -10.774 -4.786 -14.144 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.497 -4.432 -14.287 1.00 0.00 N ATOM 0 H HIS A 28 -10.159 -8.623 -16.927 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.753 -7.761 -15.797 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.416 -8.588 -14.669 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.071 -8.446 -13.555 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.722 -5.672 -14.614 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.581 -4.087 -13.981 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.121 -3.484 -14.266 1.00 0.00 H new ATOM 405 N LYS A 29 -6.542 -9.680 -14.635 1.00 0.00 N ATOM 406 CA LYS A 29 -5.662 -10.799 -14.263 1.00 0.00 C ATOM 407 C LYS A 29 -5.148 -10.632 -12.822 1.00 0.00 C ATOM 408 O LYS A 29 -5.083 -9.513 -12.301 1.00 0.00 O ATOM 409 CB LYS A 29 -4.460 -10.860 -15.235 1.00 0.00 C ATOM 410 CG LYS A 29 -4.832 -10.946 -16.722 1.00 0.00 C ATOM 411 CD LYS A 29 -3.603 -10.936 -17.646 1.00 0.00 C ATOM 412 CE LYS A 29 -3.983 -10.906 -19.131 1.00 0.00 C ATOM 413 NZ LYS A 29 -4.760 -9.696 -19.502 1.00 0.00 N ATOM 0 H LYS A 29 -6.144 -8.763 -14.432 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.234 -11.725 -14.325 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.842 -9.975 -15.081 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.848 -11.725 -14.978 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.404 -11.857 -16.896 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.480 -10.108 -16.979 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.986 -10.068 -17.415 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.996 -11.820 -17.448 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.076 -10.949 -19.734 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.567 -11.795 -19.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.873 -9.659 -20.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.697 -9.734 -19.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.255 -8.846 -19.179 1.00 0.00 H new ATOM 427 N SER A 30 -4.771 -11.767 -12.208 1.00 0.00 N ATOM 428 CA SER A 30 -4.134 -11.820 -10.880 1.00 0.00 C ATOM 429 C SER A 30 -3.603 -13.241 -10.633 1.00 0.00 C ATOM 430 O SER A 30 -3.727 -14.113 -11.500 1.00 0.00 O ATOM 431 CB SER A 30 -5.129 -11.410 -9.758 1.00 0.00 C ATOM 432 OG SER A 30 -6.218 -12.307 -9.676 1.00 0.00 O ATOM 0 H SER A 30 -4.902 -12.688 -12.627 1.00 0.00 H new ATOM 0 HA SER A 30 -3.308 -11.109 -10.859 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.608 -11.381 -8.801 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.500 -10.403 -9.950 1.00 0.00 H new ATOM 0 HG SER A 30 -6.770 -12.225 -10.481 1.00 0.00 H new ATOM 438 N CYS A 31 -2.998 -13.471 -9.453 1.00 0.00 N ATOM 439 CA CYS A 31 -2.572 -14.818 -9.028 1.00 0.00 C ATOM 440 C CYS A 31 -3.814 -15.683 -8.744 1.00 0.00 C ATOM 441 O CYS A 31 -4.848 -15.150 -8.316 1.00 0.00 O ATOM 442 CB CYS A 31 -1.681 -14.728 -7.774 1.00 0.00 C ATOM 443 SG CYS A 31 -2.587 -14.417 -6.219 1.00 0.00 S ATOM 0 H CYS A 31 -2.792 -12.738 -8.774 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.991 -15.279 -9.827 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.122 -15.658 -7.674 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.951 -13.932 -7.919 1.00 0.00 H new ATOM 448 N LYS A 32 -3.723 -17.009 -8.969 1.00 0.00 N ATOM 449 CA LYS A 32 -4.897 -17.906 -8.840 1.00 0.00 C ATOM 450 C LYS A 32 -5.318 -18.088 -7.360 1.00 0.00 C ATOM 451 O LYS A 32 -6.456 -18.474 -7.074 1.00 0.00 O ATOM 452 CB LYS A 32 -4.640 -19.264 -9.531 1.00 0.00 C ATOM 453 CG LYS A 32 -5.897 -20.160 -9.636 1.00 0.00 C ATOM 454 CD LYS A 32 -5.627 -21.517 -10.312 1.00 0.00 C ATOM 455 CE LYS A 32 -6.881 -22.405 -10.357 1.00 0.00 C ATOM 456 NZ LYS A 32 -6.636 -23.688 -11.062 1.00 0.00 N ATOM 0 H LYS A 32 -2.860 -17.482 -9.238 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.733 -17.429 -9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.250 -19.083 -10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.868 -19.801 -8.980 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.295 -20.334 -8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.666 -19.630 -10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.266 -21.350 -11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.835 -22.037 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.216 -22.610 -9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.687 -21.867 -10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.509 -24.253 -11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.342 -23.496 -12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.885 -24.215 -10.572 1.00 0.00 H new ATOM 470 N ALA A 33 -4.406 -17.765 -6.425 1.00 0.00 N ATOM 471 CA ALA A 33 -4.731 -17.723 -4.984 1.00 0.00 C ATOM 472 C ALA A 33 -5.828 -16.678 -4.682 1.00 0.00 C ATOM 473 O ALA A 33 -6.665 -16.884 -3.797 1.00 0.00 O ATOM 474 CB ALA A 33 -3.471 -17.430 -4.164 1.00 0.00 C ATOM 0 H ALA A 33 -3.437 -17.529 -6.640 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.119 -18.701 -4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.725 -17.402 -3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.733 -18.212 -4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.058 -16.467 -4.464 1.00 0.00 H new ATOM 480 N CYS A 34 -5.805 -15.564 -5.448 1.00 0.00 N ATOM 481 CA CYS A 34 -6.808 -14.483 -5.346 1.00 0.00 C ATOM 482 C CYS A 34 -8.214 -15.000 -5.658 1.00 0.00 C ATOM 483 O CYS A 34 -9.136 -14.787 -4.870 1.00 0.00 O ATOM 484 CB CYS A 34 -6.455 -13.283 -6.272 1.00 0.00 C ATOM 485 SG CYS A 34 -5.431 -12.000 -5.483 1.00 0.00 S ATOM 0 H CYS A 34 -5.090 -15.390 -6.154 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.792 -14.129 -4.315 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.931 -13.660 -7.151 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.380 -12.827 -6.624 1.00 0.00 H new ATOM 490 N ILE A 35 -8.369 -15.683 -6.808 1.00 0.00 N ATOM 491 CA ILE A 35 -9.686 -16.169 -7.255 1.00 0.00 C ATOM 492 C ILE A 35 -10.165 -17.340 -6.377 1.00 0.00 C ATOM 493 O ILE A 35 -11.354 -17.462 -6.121 1.00 0.00 O ATOM 494 CB ILE A 35 -9.704 -16.541 -8.790 1.00 0.00 C ATOM 495 CG1 ILE A 35 -11.154 -16.851 -9.287 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.755 -17.711 -9.118 1.00 0.00 C ATOM 497 CD1 ILE A 35 -12.136 -15.700 -9.136 1.00 0.00 C ATOM 0 H ILE A 35 -7.602 -15.909 -7.441 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.391 -15.347 -7.134 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.339 -15.665 -9.326 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.110 -17.138 -10.338 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.536 -17.711 -8.737 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.802 -17.930 -10.185 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.735 -17.438 -8.848 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.056 -18.593 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.115 -16.006 -9.506 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.215 -15.425 -8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.783 -14.843 -9.709 1.00 0.00 H new ATOM 509 N ASN A 36 -9.217 -18.150 -5.866 1.00 0.00 N ATOM 510 CA ASN A 36 -9.529 -19.242 -4.917 1.00 0.00 C ATOM 511 C ASN A 36 -10.165 -18.661 -3.635 1.00 0.00 C ATOM 512 O ASN A 36 -11.194 -19.152 -3.147 1.00 0.00 O ATOM 513 CB ASN A 36 -8.249 -20.042 -4.565 1.00 0.00 C ATOM 514 CG ASN A 36 -8.518 -21.262 -3.670 1.00 0.00 C ATOM 515 OD1 ASN A 36 -8.701 -22.376 -4.152 1.00 0.00 O ATOM 516 ND2 ASN A 36 -8.558 -21.061 -2.355 1.00 0.00 N ATOM 0 H ASN A 36 -8.226 -18.070 -6.094 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.239 -19.921 -5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.773 -20.375 -5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.543 -19.381 -4.063 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.744 -21.842 -1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.403 -20.126 -1.977 1.00 0.00 H new ATOM 523 N GLN A 37 -9.537 -17.593 -3.122 1.00 0.00 N ATOM 524 CA GLN A 37 -9.999 -16.871 -1.922 1.00 0.00 C ATOM 525 C GLN A 37 -11.273 -16.054 -2.222 1.00 0.00 C ATOM 526 O GLN A 37 -12.080 -15.800 -1.328 1.00 0.00 O ATOM 527 CB GLN A 37 -8.865 -15.940 -1.414 1.00 0.00 C ATOM 528 CG GLN A 37 -9.155 -15.211 -0.083 1.00 0.00 C ATOM 529 CD GLN A 37 -8.016 -14.288 0.370 1.00 0.00 C ATOM 530 OE1 GLN A 37 -7.279 -13.738 -0.447 1.00 0.00 O ATOM 531 NE2 GLN A 37 -7.858 -14.112 1.677 1.00 0.00 N ATOM 0 H GLN A 37 -8.688 -17.201 -3.529 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.247 -17.598 -1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.958 -16.532 -1.295 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.660 -15.193 -2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.067 -14.624 -0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.343 -15.952 0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.483 -14.580 2.334 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.112 -13.509 2.024 1.00 0.00 H new ATOM 540 N HIS A 38 -11.445 -15.647 -3.490 1.00 0.00 N ATOM 541 CA HIS A 38 -12.586 -14.821 -3.914 1.00 0.00 C ATOM 542 C HIS A 38 -13.855 -15.675 -4.043 1.00 0.00 C ATOM 543 O HIS A 38 -14.921 -15.231 -3.648 1.00 0.00 O ATOM 544 CB HIS A 38 -12.284 -14.100 -5.253 1.00 0.00 C ATOM 545 CG HIS A 38 -13.301 -13.047 -5.641 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.203 -11.760 -5.170 1.00 0.00 N ATOM 547 CD2 HIS A 38 -14.408 -13.143 -6.421 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.239 -11.111 -5.660 1.00 0.00 C ATOM 549 NE2 HIS A 38 -14.998 -11.905 -6.425 1.00 0.00 N ATOM 0 H HIS A 38 -10.801 -15.880 -4.246 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.753 -14.063 -3.149 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.302 -13.632 -5.186 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.229 -14.844 -6.048 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -12.475 -11.383 -4.563 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.757 -14.024 -6.939 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.450 -10.069 -5.469 1.00 0.00 H new ATOM 557 N LEU A 39 -13.719 -16.911 -4.564 1.00 0.00 N ATOM 558 CA LEU A 39 -14.875 -17.782 -4.878 1.00 0.00 C ATOM 559 C LEU A 39 -15.650 -18.230 -3.615 1.00 0.00 C ATOM 560 O LEU A 39 -16.851 -18.522 -3.690 1.00 0.00 O ATOM 561 CB LEU A 39 -14.438 -19.006 -5.724 1.00 0.00 C ATOM 562 CG LEU A 39 -14.008 -18.697 -7.196 1.00 0.00 C ATOM 563 CD1 LEU A 39 -13.575 -19.981 -7.938 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.122 -17.949 -7.969 1.00 0.00 C ATOM 0 H LEU A 39 -12.815 -17.333 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.564 -17.180 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.606 -19.496 -5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.261 -19.720 -5.748 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.143 -18.036 -7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.283 -19.731 -8.958 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.730 -20.434 -7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.406 -20.686 -7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.788 -17.751 -8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.022 -18.563 -7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.341 -17.005 -7.469 1.00 0.00 H new ATOM 576 N MET A 40 -14.961 -18.262 -2.457 1.00 0.00 N ATOM 577 CA MET A 40 -15.598 -18.584 -1.160 1.00 0.00 C ATOM 578 C MET A 40 -16.441 -17.397 -0.632 1.00 0.00 C ATOM 579 O MET A 40 -17.225 -17.559 0.299 1.00 0.00 O ATOM 580 CB MET A 40 -14.552 -19.050 -0.106 1.00 0.00 C ATOM 581 CG MET A 40 -13.548 -17.998 0.360 1.00 0.00 C ATOM 582 SD MET A 40 -12.501 -18.598 1.708 1.00 0.00 S ATOM 583 CE MET A 40 -13.695 -18.861 3.029 1.00 0.00 C ATOM 0 H MET A 40 -13.962 -18.069 -2.391 1.00 0.00 H new ATOM 0 HA MET A 40 -16.278 -19.418 -1.333 1.00 0.00 H new ATOM 0 HB2 MET A 40 -15.088 -19.422 0.767 1.00 0.00 H new ATOM 0 HB3 MET A 40 -13.998 -19.891 -0.522 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.920 -17.701 -0.480 1.00 0.00 H new ATOM 0 HG3 MET A 40 -14.084 -17.107 0.688 1.00 0.00 H new ATOM 0 HE1 MET A 40 -13.178 -18.881 3.988 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.425 -18.051 3.027 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.207 -19.811 2.873 1.00 0.00 H new ATOM 593 N ASN A 41 -16.250 -16.200 -1.222 1.00 0.00 N ATOM 594 CA ASN A 41 -17.042 -14.996 -0.887 1.00 0.00 C ATOM 595 C ASN A 41 -18.052 -14.685 -2.014 1.00 0.00 C ATOM 596 O ASN A 41 -19.265 -14.794 -1.826 1.00 0.00 O ATOM 597 CB ASN A 41 -16.118 -13.777 -0.634 1.00 0.00 C ATOM 598 CG ASN A 41 -15.118 -14.010 0.502 1.00 0.00 C ATOM 599 OD1 ASN A 41 -15.429 -13.820 1.674 1.00 0.00 O ATOM 600 ND2 ASN A 41 -13.903 -14.410 0.162 1.00 0.00 N ATOM 0 H ASN A 41 -15.545 -16.039 -1.942 1.00 0.00 H new ATOM 0 HA ASN A 41 -17.595 -15.197 0.031 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.573 -13.545 -1.549 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -16.730 -12.906 -0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.198 -14.568 0.882 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.672 -14.560 -0.820 1.00 0.00 H new ATOM 607 N ASN A 42 -17.524 -14.296 -3.193 1.00 0.00 N ATOM 608 CA ASN A 42 -18.315 -13.869 -4.381 1.00 0.00 C ATOM 609 C ASN A 42 -17.810 -14.579 -5.660 1.00 0.00 C ATOM 610 O ASN A 42 -17.047 -15.538 -5.580 1.00 0.00 O ATOM 611 CB ASN A 42 -18.196 -12.333 -4.545 1.00 0.00 C ATOM 612 CG ASN A 42 -18.852 -11.534 -3.419 1.00 0.00 C ATOM 613 OD1 ASN A 42 -20.034 -11.184 -3.496 1.00 0.00 O ATOM 614 ND2 ASN A 42 -18.088 -11.230 -2.377 1.00 0.00 N ATOM 0 H ASN A 42 -16.517 -14.267 -3.356 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.359 -14.144 -4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -17.141 -12.065 -4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -18.648 -12.043 -5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -18.473 -10.689 -1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -17.116 -11.538 -2.350 1.00 0.00 H new ATOM 621 N LYS A 43 -18.271 -14.110 -6.843 1.00 0.00 N ATOM 622 CA LYS A 43 -17.824 -14.635 -8.163 1.00 0.00 C ATOM 623 C LYS A 43 -17.539 -13.471 -9.151 1.00 0.00 C ATOM 624 O LYS A 43 -17.311 -13.688 -10.361 1.00 0.00 O ATOM 625 CB LYS A 43 -18.896 -15.611 -8.737 1.00 0.00 C ATOM 626 CG LYS A 43 -18.426 -16.471 -9.937 1.00 0.00 C ATOM 627 CD LYS A 43 -19.541 -17.362 -10.513 1.00 0.00 C ATOM 628 CE LYS A 43 -19.051 -18.182 -11.710 1.00 0.00 C ATOM 629 NZ LYS A 43 -20.112 -19.057 -12.258 1.00 0.00 N ATOM 0 H LYS A 43 -18.960 -13.361 -6.914 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.893 -15.186 -8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.223 -16.277 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -19.766 -15.031 -9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.051 -15.815 -10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.593 -17.099 -9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.907 -18.034 -9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.382 -16.740 -10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.699 -17.508 -12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -18.200 -18.792 -11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.737 -19.593 -13.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.431 -19.718 -11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.915 -18.475 -12.572 1.00 0.00 H new ATOM 643 N ASP A 44 -17.540 -12.230 -8.635 1.00 0.00 N ATOM 644 CA ASP A 44 -17.296 -11.028 -9.460 1.00 0.00 C ATOM 645 C ASP A 44 -15.807 -10.894 -9.830 1.00 0.00 C ATOM 646 O ASP A 44 -14.942 -11.556 -9.255 1.00 0.00 O ATOM 647 CB ASP A 44 -17.800 -9.750 -8.738 1.00 0.00 C ATOM 648 CG ASP A 44 -17.074 -9.433 -7.419 1.00 0.00 C ATOM 649 OD1 ASP A 44 -15.975 -8.834 -7.453 1.00 0.00 O ATOM 650 OD2 ASP A 44 -17.592 -9.779 -6.351 1.00 0.00 O ATOM 0 H ASP A 44 -17.707 -12.030 -7.649 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.860 -11.143 -10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.690 -8.900 -9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -18.865 -9.859 -8.534 1.00 0.00 H new ATOM 655 N CYS A 45 -15.518 -9.997 -10.777 1.00 0.00 N ATOM 656 CA CYS A 45 -14.153 -9.764 -11.292 1.00 0.00 C ATOM 657 C CYS A 45 -13.438 -8.674 -10.476 1.00 0.00 C ATOM 658 O CYS A 45 -12.913 -7.700 -11.042 1.00 0.00 O ATOM 659 CB CYS A 45 -14.250 -9.412 -12.785 1.00 0.00 C ATOM 660 SG CYS A 45 -12.678 -9.095 -13.621 1.00 0.00 S ATOM 0 H CYS A 45 -16.224 -9.405 -11.215 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.550 -10.665 -11.185 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.756 -10.229 -13.300 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.881 -8.530 -12.891 1.00 0.00 H new ATOM 665 N PHE A 46 -13.436 -8.887 -9.137 1.00 0.00 N ATOM 666 CA PHE A 46 -12.698 -8.093 -8.129 1.00 0.00 C ATOM 667 C PHE A 46 -13.015 -6.582 -8.191 1.00 0.00 C ATOM 668 O PHE A 46 -13.831 -6.073 -7.421 1.00 0.00 O ATOM 669 CB PHE A 46 -11.163 -8.355 -8.228 1.00 0.00 C ATOM 670 CG PHE A 46 -10.746 -9.801 -7.940 1.00 0.00 C ATOM 671 CD1 PHE A 46 -10.991 -10.816 -8.867 1.00 0.00 C ATOM 672 CD2 PHE A 46 -10.120 -10.144 -6.745 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.617 -12.117 -8.608 1.00 0.00 C ATOM 674 CE2 PHE A 46 -9.743 -11.445 -6.490 1.00 0.00 C ATOM 675 CZ PHE A 46 -9.993 -12.431 -7.421 1.00 0.00 C ATOM 0 H PHE A 46 -13.970 -9.647 -8.715 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.046 -8.433 -7.154 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.825 -8.085 -9.228 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.649 -7.696 -7.529 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.480 -10.578 -9.800 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.927 -9.380 -6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.813 -12.890 -9.336 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.252 -11.692 -5.561 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.699 -13.450 -7.219 1.00 0.00 H new ATOM 685 N PHE A 47 -12.371 -5.897 -9.144 1.00 0.00 N ATOM 686 CA PHE A 47 -12.398 -4.442 -9.274 1.00 0.00 C ATOM 687 C PHE A 47 -13.652 -3.987 -10.039 1.00 0.00 C ATOM 688 O PHE A 47 -14.516 -3.295 -9.485 1.00 0.00 O ATOM 689 CB PHE A 47 -11.111 -3.977 -10.001 1.00 0.00 C ATOM 690 CG PHE A 47 -9.820 -4.516 -9.378 1.00 0.00 C ATOM 691 CD1 PHE A 47 -9.404 -4.079 -8.122 1.00 0.00 C ATOM 692 CD2 PHE A 47 -9.042 -5.473 -10.037 1.00 0.00 C ATOM 693 CE1 PHE A 47 -8.245 -4.569 -7.550 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.883 -5.961 -9.462 1.00 0.00 C ATOM 695 CZ PHE A 47 -7.488 -5.511 -8.217 1.00 0.00 C ATOM 0 H PHE A 47 -11.805 -6.353 -9.860 1.00 0.00 H new ATOM 0 HA PHE A 47 -12.436 -3.990 -8.283 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.160 -4.292 -11.043 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -11.077 -2.888 -9.999 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.994 -3.348 -7.589 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.350 -5.835 -11.007 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.931 -4.214 -6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.287 -6.694 -9.986 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.586 -5.897 -7.765 1.00 0.00 H new ATOM 705 N CYS A 48 -13.759 -4.412 -11.313 1.00 0.00 N ATOM 706 CA CYS A 48 -14.837 -3.954 -12.227 1.00 0.00 C ATOM 707 C CYS A 48 -16.164 -4.710 -11.981 1.00 0.00 C ATOM 708 O CYS A 48 -17.182 -4.380 -12.590 1.00 0.00 O ATOM 709 CB CYS A 48 -14.404 -4.136 -13.694 1.00 0.00 C ATOM 710 SG CYS A 48 -14.574 -5.845 -14.283 1.00 0.00 S ATOM 0 H CYS A 48 -13.111 -5.075 -11.739 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.009 -2.897 -12.021 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.001 -3.479 -14.327 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -13.365 -3.823 -13.801 1.00 0.00 H new ATOM 715 N LYS A 49 -16.113 -5.758 -11.123 1.00 0.00 N ATOM 716 CA LYS A 49 -17.298 -6.509 -10.638 1.00 0.00 C ATOM 717 C LYS A 49 -18.022 -7.347 -11.727 1.00 0.00 C ATOM 718 O LYS A 49 -19.113 -7.861 -11.466 1.00 0.00 O ATOM 719 CB LYS A 49 -18.310 -5.562 -9.903 1.00 0.00 C ATOM 720 CG LYS A 49 -17.744 -4.864 -8.645 1.00 0.00 C ATOM 721 CD LYS A 49 -17.315 -5.878 -7.571 1.00 0.00 C ATOM 722 CE LYS A 49 -16.743 -5.236 -6.301 1.00 0.00 C ATOM 723 NZ LYS A 49 -16.181 -6.259 -5.375 1.00 0.00 N ATOM 0 H LYS A 49 -15.235 -6.111 -10.743 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.900 -7.233 -9.927 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.648 -4.799 -10.604 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.187 -6.142 -9.616 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.889 -4.248 -8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.498 -4.194 -8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.175 -6.491 -7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.567 -6.548 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.965 -4.523 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.526 -4.675 -5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.085 -5.851 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.818 -7.080 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.247 -6.561 -5.717 1.00 0.00 H new ATOM 737 N THR A 50 -17.407 -7.516 -12.914 1.00 0.00 N ATOM 738 CA THR A 50 -17.972 -8.353 -14.003 1.00 0.00 C ATOM 739 C THR A 50 -18.055 -9.837 -13.576 1.00 0.00 C ATOM 740 O THR A 50 -17.126 -10.349 -12.967 1.00 0.00 O ATOM 741 CB THR A 50 -17.100 -8.231 -15.296 1.00 0.00 C ATOM 742 OG1 THR A 50 -16.960 -6.848 -15.648 1.00 0.00 O ATOM 743 CG2 THR A 50 -17.689 -9.011 -16.497 1.00 0.00 C ATOM 0 H THR A 50 -16.514 -7.083 -13.148 1.00 0.00 H new ATOM 0 HA THR A 50 -18.979 -7.991 -14.211 1.00 0.00 H new ATOM 0 HB THR A 50 -16.129 -8.673 -15.071 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.391 -6.399 -14.988 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.040 -8.888 -17.364 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.760 -10.069 -16.244 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.682 -8.626 -16.729 1.00 0.00 H new ATOM 751 N THR A 51 -19.179 -10.503 -13.880 1.00 0.00 N ATOM 752 CA THR A 51 -19.359 -11.934 -13.598 1.00 0.00 C ATOM 753 C THR A 51 -18.337 -12.770 -14.397 1.00 0.00 C ATOM 754 O THR A 51 -18.296 -12.700 -15.634 1.00 0.00 O ATOM 755 CB THR A 51 -20.814 -12.398 -13.934 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.749 -11.606 -13.178 1.00 0.00 O ATOM 757 CG2 THR A 51 -21.031 -13.895 -13.629 1.00 0.00 C ATOM 0 H THR A 51 -19.986 -10.066 -14.326 1.00 0.00 H new ATOM 0 HA THR A 51 -19.191 -12.090 -12.532 1.00 0.00 H new ATOM 0 HB THR A 51 -20.974 -12.257 -15.003 1.00 0.00 H new ATOM 0 HG1 THR A 51 -22.663 -11.892 -13.386 1.00 0.00 H new ATOM 0 HG21 THR A 51 -22.055 -14.172 -13.878 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.339 -14.491 -14.224 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.852 -14.080 -12.570 1.00 0.00 H new ATOM 765 N ILE A 52 -17.488 -13.528 -13.673 1.00 0.00 N ATOM 766 CA ILE A 52 -16.440 -14.353 -14.287 1.00 0.00 C ATOM 767 C ILE A 52 -17.057 -15.660 -14.835 1.00 0.00 C ATOM 768 O ILE A 52 -17.409 -16.565 -14.068 1.00 0.00 O ATOM 769 CB ILE A 52 -15.285 -14.668 -13.267 1.00 0.00 C ATOM 770 CG1 ILE A 52 -14.744 -13.347 -12.629 1.00 0.00 C ATOM 771 CG2 ILE A 52 -14.142 -15.449 -13.964 1.00 0.00 C ATOM 772 CD1 ILE A 52 -13.677 -13.544 -11.569 1.00 0.00 C ATOM 0 H ILE A 52 -17.513 -13.582 -12.655 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.001 -13.792 -15.112 1.00 0.00 H new ATOM 0 HB ILE A 52 -15.688 -15.293 -12.470 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.338 -12.717 -13.421 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.580 -12.804 -12.187 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.352 -15.658 -13.243 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -14.531 -16.388 -14.359 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.738 -14.851 -14.781 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.363 -12.574 -11.184 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.081 -14.144 -10.754 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -12.820 -14.056 -12.006 1.00 0.00 H new ATOM 784 N VAL A 53 -17.213 -15.718 -16.167 1.00 0.00 N ATOM 785 CA VAL A 53 -17.736 -16.896 -16.878 1.00 0.00 C ATOM 786 C VAL A 53 -16.668 -18.012 -16.948 1.00 0.00 C ATOM 787 O VAL A 53 -17.009 -19.203 -16.922 1.00 0.00 O ATOM 788 CB VAL A 53 -18.237 -16.491 -18.318 1.00 0.00 C ATOM 789 CG1 VAL A 53 -18.737 -17.706 -19.141 1.00 0.00 C ATOM 790 CG2 VAL A 53 -19.346 -15.414 -18.221 1.00 0.00 C ATOM 0 H VAL A 53 -16.978 -14.942 -16.786 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.588 -17.288 -16.322 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.378 -16.080 -18.848 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -19.069 -17.368 -20.123 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.925 -18.424 -19.260 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.568 -18.181 -18.620 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -19.681 -15.145 -19.223 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -20.187 -15.808 -17.651 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.951 -14.529 -17.721 1.00 0.00 H new ATOM 800 N SER A 54 -15.376 -17.629 -17.005 1.00 0.00 N ATOM 801 CA SER A 54 -14.271 -18.605 -17.064 1.00 0.00 C ATOM 802 C SER A 54 -12.989 -18.027 -16.437 1.00 0.00 C ATOM 803 O SER A 54 -12.617 -16.881 -16.707 1.00 0.00 O ATOM 804 CB SER A 54 -14.011 -19.012 -18.538 1.00 0.00 C ATOM 805 OG SER A 54 -13.048 -20.043 -18.643 1.00 0.00 O ATOM 0 H SER A 54 -15.074 -16.655 -17.011 1.00 0.00 H new ATOM 0 HA SER A 54 -14.557 -19.487 -16.491 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.945 -19.341 -18.993 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.672 -18.141 -19.100 1.00 0.00 H new ATOM 0 HG SER A 54 -12.914 -20.271 -19.587 1.00 0.00 H new ATOM 811 N VAL A 55 -12.325 -18.841 -15.589 1.00 0.00 N ATOM 812 CA VAL A 55 -10.993 -18.539 -15.028 1.00 0.00 C ATOM 813 C VAL A 55 -9.964 -19.417 -15.753 1.00 0.00 C ATOM 814 O VAL A 55 -9.869 -20.628 -15.488 1.00 0.00 O ATOM 815 CB VAL A 55 -10.933 -18.824 -13.474 1.00 0.00 C ATOM 816 CG1 VAL A 55 -9.548 -18.466 -12.880 1.00 0.00 C ATOM 817 CG2 VAL A 55 -12.063 -18.089 -12.720 1.00 0.00 C ATOM 0 H VAL A 55 -12.703 -19.734 -15.272 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.779 -17.480 -15.172 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.083 -19.895 -13.340 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.546 -18.676 -11.810 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.777 -19.063 -13.368 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.345 -17.408 -13.043 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.991 -18.307 -11.655 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.967 -17.015 -12.878 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.030 -18.425 -13.095 1.00 0.00 H new ATOM 827 N GLU A 56 -9.213 -18.814 -16.681 1.00 0.00 N ATOM 828 CA GLU A 56 -8.254 -19.536 -17.532 1.00 0.00 C ATOM 829 C GLU A 56 -6.817 -19.188 -17.137 1.00 0.00 C ATOM 830 O GLU A 56 -6.540 -18.067 -16.713 1.00 0.00 O ATOM 831 CB GLU A 56 -8.536 -19.208 -19.021 1.00 0.00 C ATOM 832 CG GLU A 56 -9.893 -19.754 -19.523 1.00 0.00 C ATOM 833 CD GLU A 56 -10.223 -19.401 -20.983 1.00 0.00 C ATOM 834 OE1 GLU A 56 -9.428 -19.745 -21.883 1.00 0.00 O ATOM 835 OE2 GLU A 56 -11.294 -18.800 -21.238 1.00 0.00 O ATOM 0 H GLU A 56 -9.251 -17.811 -16.865 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.376 -20.610 -17.389 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.515 -18.127 -19.158 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.736 -19.623 -19.635 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.896 -20.839 -19.415 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.685 -19.368 -18.881 1.00 0.00 H new ATOM 842 N ASP A 57 -5.914 -20.172 -17.260 1.00 0.00 N ATOM 843 CA ASP A 57 -4.503 -20.023 -16.877 1.00 0.00 C ATOM 844 C ASP A 57 -3.769 -19.118 -17.881 1.00 0.00 C ATOM 845 O ASP A 57 -3.520 -19.523 -19.023 1.00 0.00 O ATOM 846 CB ASP A 57 -3.818 -21.409 -16.799 1.00 0.00 C ATOM 847 CG ASP A 57 -4.462 -22.342 -15.759 1.00 0.00 C ATOM 848 OD1 ASP A 57 -5.421 -23.066 -16.111 1.00 0.00 O ATOM 849 OD2 ASP A 57 -4.029 -22.336 -14.588 1.00 0.00 O ATOM 0 H ASP A 57 -6.143 -21.095 -17.629 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.457 -19.557 -15.893 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.859 -21.884 -17.779 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.764 -21.274 -16.554 1.00 0.00 H new ATOM 854 N TRP A 58 -3.461 -17.881 -17.456 1.00 0.00 N ATOM 855 CA TRP A 58 -2.704 -16.932 -18.275 1.00 0.00 C ATOM 856 C TRP A 58 -1.206 -17.241 -18.174 1.00 0.00 C ATOM 857 O TRP A 58 -0.595 -17.092 -17.106 1.00 0.00 O ATOM 858 CB TRP A 58 -2.983 -15.469 -17.858 1.00 0.00 C ATOM 859 CG TRP A 58 -2.261 -14.458 -18.730 1.00 0.00 C ATOM 860 CD1 TRP A 58 -2.569 -14.119 -20.019 1.00 0.00 C ATOM 861 CD2 TRP A 58 -1.095 -13.683 -18.387 1.00 0.00 C ATOM 862 NE1 TRP A 58 -1.688 -13.176 -20.485 1.00 0.00 N ATOM 863 CE2 TRP A 58 -0.777 -12.893 -19.502 1.00 0.00 C ATOM 864 CE3 TRP A 58 -0.298 -13.580 -17.242 1.00 0.00 C ATOM 865 CZ2 TRP A 58 0.296 -12.009 -19.506 1.00 0.00 C ATOM 866 CZ3 TRP A 58 0.768 -12.704 -17.245 1.00 0.00 C ATOM 867 CH2 TRP A 58 1.054 -11.924 -18.369 1.00 0.00 C ATOM 0 H TRP A 58 -3.729 -17.517 -16.542 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.028 -17.043 -19.310 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.056 -15.281 -17.905 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.680 -15.328 -16.820 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.388 -14.534 -20.588 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -1.708 -12.754 -21.413 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.514 -14.177 -16.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.524 -11.410 -20.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.390 -12.620 -16.366 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.890 -11.241 -18.340 1.00 0.00 H new ATOM 878 N GLU A 59 -0.632 -17.693 -19.291 1.00 0.00 N ATOM 879 CA GLU A 59 0.806 -17.935 -19.424 1.00 0.00 C ATOM 880 C GLU A 59 1.393 -16.834 -20.325 1.00 0.00 C ATOM 881 O GLU A 59 0.966 -16.685 -21.479 1.00 0.00 O ATOM 882 CB GLU A 59 1.052 -19.344 -20.027 1.00 0.00 C ATOM 883 CG GLU A 59 0.415 -20.493 -19.209 1.00 0.00 C ATOM 884 CD GLU A 59 0.630 -21.874 -19.849 1.00 0.00 C ATOM 885 OE1 GLU A 59 -0.151 -22.250 -20.744 1.00 0.00 O ATOM 886 OE2 GLU A 59 1.594 -22.576 -19.479 1.00 0.00 O ATOM 0 H GLU A 59 -1.159 -17.904 -20.139 1.00 0.00 H new ATOM 0 HA GLU A 59 1.294 -17.905 -18.450 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.655 -19.369 -21.042 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.126 -19.515 -20.101 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.837 -20.494 -18.204 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.654 -20.309 -19.105 1.00 0.00 H new ATOM 893 N LYS A 60 2.340 -16.049 -19.781 1.00 0.00 N ATOM 894 CA LYS A 60 2.975 -14.939 -20.512 1.00 0.00 C ATOM 895 C LYS A 60 3.894 -15.485 -21.611 1.00 0.00 C ATOM 896 O LYS A 60 3.828 -15.058 -22.774 1.00 0.00 O ATOM 897 CB LYS A 60 3.774 -14.036 -19.532 1.00 0.00 C ATOM 898 CG LYS A 60 4.386 -12.780 -20.195 1.00 0.00 C ATOM 899 CD LYS A 60 5.126 -11.850 -19.207 1.00 0.00 C ATOM 900 CE LYS A 60 5.690 -10.607 -19.921 1.00 0.00 C ATOM 901 NZ LYS A 60 6.424 -9.708 -19.003 1.00 0.00 N ATOM 0 H LYS A 60 2.685 -16.165 -18.828 1.00 0.00 H new ATOM 0 HA LYS A 60 2.197 -14.336 -20.980 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.115 -13.723 -18.722 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.574 -14.624 -19.082 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.081 -13.094 -20.974 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.592 -12.216 -20.685 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.443 -11.539 -18.417 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.939 -12.397 -18.729 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.357 -10.924 -20.723 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.872 -10.057 -20.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.931 -8.794 -18.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.468 -10.138 -18.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.389 -9.559 -19.361 1.00 0.00 H new ATOM 915 N GLY A 61 4.726 -16.456 -21.223 1.00 0.00 N ATOM 916 CA GLY A 61 5.711 -17.069 -22.115 1.00 0.00 C ATOM 917 C GLY A 61 7.124 -16.971 -21.550 1.00 0.00 C ATOM 918 O GLY A 61 8.091 -16.873 -22.329 1.00 0.00 O ATOM 919 OXT GLY A 61 7.278 -16.992 -20.306 1.00 0.00 O ATOM 0 H GLY A 61 4.734 -16.839 -20.278 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.455 -18.116 -22.274 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.674 -16.580 -23.088 1.00 0.00 H new TER 923 GLY A 61 HETATM 924 ZN ZN A 101 -3.114 -12.186 -5.655 1.00 0.00 ZN HETATM 925 ZN ZN A 102 -12.645 -7.081 -14.784 1.00 0.00 ZN