USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=14 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 Set 1.1: A 38 HIS : no HE2:sc= -0.641 X(o=-0.69,f=-0.74) USER MOD Set 1.2: A 41 ASN : amide:sc= 0 K(o=-0.69,f=0.54) USER MOD Set 1.3: A 42 ASN : amide:sc= -0.0536 X(o=-0.69,f=-0.73) USER MOD Set 2.1: A 32 LYS NZ :NH3+ -156:sc= 0.447 (180deg=0) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.396 K(o=0.84,f=-3.8) USER MOD Set 3.1: A 2 HIS : no HD1:sc= -0.0673 X(o=-0.11,f=-0.51) USER MOD Set 3.2: A 3 MET CE :methyl 166:sc= -0.0446 (180deg=-0.321) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 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 -29:sc= 0.161 USER MOD Single : A 24 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.13) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.0086 (180deg=-0.175) USER MOD Single : A 30 SER OG : rot -110:sc= 1.2 USER MOD Single : A 37 GLN : amide:sc= -0.079 K(o=-0.079,f=-0.65) USER MOD Single : A 40 MET CE :methyl 163:sc= -0.021 (180deg=-0.296) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 90:sc= 0.41 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0.533 (180deg=0.533) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.424 -4.797 2.310 1.00 0.00 N ATOM 2 CA SER A 1 4.307 -3.821 1.645 1.00 0.00 C ATOM 3 C SER A 1 3.639 -3.298 0.366 1.00 0.00 C ATOM 4 O SER A 1 3.330 -4.078 -0.542 1.00 0.00 O ATOM 5 CB SER A 1 5.678 -4.457 1.329 1.00 0.00 C ATOM 6 OG SER A 1 6.557 -3.511 0.739 1.00 0.00 O ATOM 0 H1 SER A 1 3.883 -5.147 3.175 1.00 0.00 H new ATOM 0 H2 SER A 1 2.523 -4.339 2.557 1.00 0.00 H new ATOM 0 H3 SER A 1 3.242 -5.595 1.668 1.00 0.00 H new ATOM 0 HA SER A 1 4.475 -2.980 2.318 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.121 -4.847 2.245 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.543 -5.303 0.655 1.00 0.00 H new ATOM 0 HG SER A 1 7.419 -3.938 0.550 1.00 0.00 H new ATOM 14 N HIS A 2 3.420 -1.969 0.312 1.00 0.00 N ATOM 15 CA HIS A 2 2.832 -1.286 -0.857 1.00 0.00 C ATOM 16 C HIS A 2 3.919 -0.843 -1.854 1.00 0.00 C ATOM 17 O HIS A 2 3.601 -0.260 -2.891 1.00 0.00 O ATOM 18 CB HIS A 2 1.983 -0.062 -0.412 1.00 0.00 C ATOM 19 CG HIS A 2 2.749 0.974 0.379 1.00 0.00 C ATOM 20 ND1 HIS A 2 3.580 1.882 -0.235 1.00 0.00 N ATOM 21 CD2 HIS A 2 2.789 1.182 1.719 1.00 0.00 C ATOM 22 CE1 HIS A 2 4.100 2.607 0.735 1.00 0.00 C ATOM 23 NE2 HIS A 2 3.653 2.217 1.936 1.00 0.00 N ATOM 0 H HIS A 2 3.647 -1.338 1.080 1.00 0.00 H new ATOM 0 HA HIS A 2 2.181 -2.001 -1.360 1.00 0.00 H new ATOM 0 HB2 HIS A 2 1.561 0.413 -1.297 1.00 0.00 H new ATOM 0 HB3 HIS A 2 1.146 -0.415 0.190 1.00 0.00 H new ATOM 0 HD2 HIS A 2 2.242 0.633 2.471 1.00 0.00 H new ATOM 0 HE1 HIS A 2 4.800 3.415 0.581 1.00 0.00 H new ATOM 0 HE2 HIS A 2 3.909 2.616 2.839 1.00 0.00 H new ATOM 31 N MET A 3 5.199 -1.135 -1.545 1.00 0.00 N ATOM 32 CA MET A 3 6.356 -0.617 -2.298 1.00 0.00 C ATOM 33 C MET A 3 7.123 -1.754 -3.031 1.00 0.00 C ATOM 34 O MET A 3 7.977 -2.414 -2.435 1.00 0.00 O ATOM 35 CB MET A 3 7.287 0.203 -1.338 1.00 0.00 C ATOM 36 CG MET A 3 7.714 -0.521 -0.049 1.00 0.00 C ATOM 37 SD MET A 3 8.789 0.474 1.014 1.00 0.00 S ATOM 38 CE MET A 3 7.724 1.847 1.463 1.00 0.00 C ATOM 0 H MET A 3 5.458 -1.738 -0.764 1.00 0.00 H new ATOM 0 HA MET A 3 5.994 0.053 -3.078 1.00 0.00 H new ATOM 0 HB2 MET A 3 8.184 0.489 -1.887 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.774 1.125 -1.063 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.823 -0.804 0.512 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.231 -1.443 -0.314 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.165 2.392 2.297 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.614 2.516 0.610 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.745 1.468 1.755 1.00 0.00 H new ATOM 48 N PRO A 4 6.797 -2.037 -4.339 1.00 0.00 N ATOM 49 CA PRO A 4 7.608 -2.930 -5.190 1.00 0.00 C ATOM 50 C PRO A 4 8.718 -2.148 -5.936 1.00 0.00 C ATOM 51 O PRO A 4 8.892 -0.943 -5.716 1.00 0.00 O ATOM 52 CB PRO A 4 6.551 -3.507 -6.155 1.00 0.00 C ATOM 53 CG PRO A 4 5.584 -2.376 -6.362 1.00 0.00 C ATOM 54 CD PRO A 4 5.603 -1.545 -5.082 1.00 0.00 C ATOM 0 HA PRO A 4 8.148 -3.698 -4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.001 -3.823 -7.096 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.057 -4.380 -5.729 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.874 -1.771 -7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.582 -2.755 -6.563 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.682 -0.480 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 4 4.690 -1.685 -4.504 1.00 0.00 H new ATOM 62 N THR A 5 9.467 -2.847 -6.804 1.00 0.00 N ATOM 63 CA THR A 5 10.558 -2.240 -7.598 1.00 0.00 C ATOM 64 C THR A 5 10.677 -2.945 -8.960 1.00 0.00 C ATOM 65 O THR A 5 10.818 -2.297 -10.000 1.00 0.00 O ATOM 66 CB THR A 5 11.934 -2.268 -6.825 1.00 0.00 C ATOM 67 OG1 THR A 5 12.992 -1.713 -7.639 1.00 0.00 O ATOM 68 CG2 THR A 5 12.331 -3.689 -6.350 1.00 0.00 C ATOM 0 H THR A 5 9.338 -3.844 -6.978 1.00 0.00 H new ATOM 0 HA THR A 5 10.308 -1.192 -7.765 1.00 0.00 H new ATOM 0 HB THR A 5 11.795 -1.654 -5.935 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.836 -1.738 -7.141 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.285 -3.644 -5.825 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.565 -4.075 -5.677 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.422 -4.349 -7.213 1.00 0.00 H new ATOM 76 N SER A 6 10.611 -4.279 -8.934 1.00 0.00 N ATOM 77 CA SER A 6 10.728 -5.125 -10.125 1.00 0.00 C ATOM 78 C SER A 6 9.331 -5.609 -10.548 1.00 0.00 C ATOM 79 O SER A 6 8.916 -6.724 -10.203 1.00 0.00 O ATOM 80 CB SER A 6 11.667 -6.317 -9.809 1.00 0.00 C ATOM 81 OG SER A 6 12.899 -5.879 -9.258 1.00 0.00 O ATOM 0 H SER A 6 10.473 -4.809 -8.073 1.00 0.00 H new ATOM 0 HA SER A 6 11.155 -4.559 -10.953 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.175 -6.993 -9.110 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.856 -6.884 -10.721 1.00 0.00 H new ATOM 0 HG SER A 6 13.467 -6.655 -9.069 1.00 0.00 H new ATOM 87 N GLU A 7 8.588 -4.731 -11.252 1.00 0.00 N ATOM 88 CA GLU A 7 7.236 -5.043 -11.751 1.00 0.00 C ATOM 89 C GLU A 7 7.330 -6.068 -12.903 1.00 0.00 C ATOM 90 O GLU A 7 7.566 -5.696 -14.056 1.00 0.00 O ATOM 91 CB GLU A 7 6.500 -3.752 -12.214 1.00 0.00 C ATOM 92 CG GLU A 7 6.408 -2.649 -11.134 1.00 0.00 C ATOM 93 CD GLU A 7 5.566 -1.442 -11.576 1.00 0.00 C ATOM 94 OE1 GLU A 7 6.064 -0.609 -12.365 1.00 0.00 O ATOM 95 OE2 GLU A 7 4.387 -1.332 -11.161 1.00 0.00 O ATOM 0 H GLU A 7 8.907 -3.792 -11.489 1.00 0.00 H new ATOM 0 HA GLU A 7 6.654 -5.478 -10.939 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.014 -3.348 -13.086 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.492 -4.017 -12.533 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.977 -3.072 -10.227 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.413 -2.311 -10.882 1.00 0.00 H new ATOM 102 N GLU A 8 7.195 -7.357 -12.555 1.00 0.00 N ATOM 103 CA GLU A 8 7.300 -8.479 -13.503 1.00 0.00 C ATOM 104 C GLU A 8 5.958 -9.240 -13.535 1.00 0.00 C ATOM 105 O GLU A 8 5.830 -10.349 -12.986 1.00 0.00 O ATOM 106 CB GLU A 8 8.489 -9.383 -13.079 1.00 0.00 C ATOM 107 CG GLU A 8 8.871 -10.457 -14.105 1.00 0.00 C ATOM 108 CD GLU A 8 10.036 -11.344 -13.644 1.00 0.00 C ATOM 109 OE1 GLU A 8 9.816 -12.221 -12.782 1.00 0.00 O ATOM 110 OE2 GLU A 8 11.170 -11.162 -14.125 1.00 0.00 O ATOM 0 H GLU A 8 7.008 -7.654 -11.597 1.00 0.00 H new ATOM 0 HA GLU A 8 7.498 -8.125 -14.515 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.358 -8.753 -12.891 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.239 -9.871 -12.137 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.002 -11.084 -14.306 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.140 -9.974 -15.044 1.00 0.00 H new ATOM 117 N ASP A 9 4.944 -8.574 -14.135 1.00 0.00 N ATOM 118 CA ASP A 9 3.538 -9.041 -14.171 1.00 0.00 C ATOM 119 C ASP A 9 2.998 -9.324 -12.762 1.00 0.00 C ATOM 120 O ASP A 9 2.138 -10.182 -12.589 1.00 0.00 O ATOM 121 CB ASP A 9 3.356 -10.274 -15.113 1.00 0.00 C ATOM 122 CG ASP A 9 3.305 -9.883 -16.597 1.00 0.00 C ATOM 123 OD1 ASP A 9 2.200 -9.568 -17.095 1.00 0.00 O ATOM 124 OD2 ASP A 9 4.367 -9.853 -17.256 1.00 0.00 O ATOM 0 H ASP A 9 5.081 -7.684 -14.615 1.00 0.00 H new ATOM 0 HA ASP A 9 2.945 -8.228 -14.590 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.178 -10.972 -14.953 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.437 -10.797 -14.847 1.00 0.00 H new ATOM 129 N LEU A 10 3.480 -8.555 -11.771 1.00 0.00 N ATOM 130 CA LEU A 10 3.146 -8.777 -10.358 1.00 0.00 C ATOM 131 C LEU A 10 1.644 -8.567 -10.103 1.00 0.00 C ATOM 132 O LEU A 10 1.090 -7.536 -10.497 1.00 0.00 O ATOM 133 CB LEU A 10 3.987 -7.849 -9.449 1.00 0.00 C ATOM 134 CG LEU A 10 5.530 -8.090 -9.470 1.00 0.00 C ATOM 135 CD1 LEU A 10 6.232 -7.225 -8.403 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.885 -9.591 -9.283 1.00 0.00 C ATOM 0 H LEU A 10 4.108 -7.767 -11.928 1.00 0.00 H new ATOM 0 HA LEU A 10 3.386 -9.812 -10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.796 -6.816 -9.741 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.635 -7.961 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 10 5.893 -7.791 -10.453 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.306 -7.408 -8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.038 -6.171 -8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.849 -7.483 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.968 -9.714 -9.304 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.499 -9.940 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.438 -10.174 -10.088 1.00 0.00 H new ATOM 148 N CYS A 11 1.008 -9.586 -9.483 1.00 0.00 N ATOM 149 CA CYS A 11 -0.384 -9.519 -9.013 1.00 0.00 C ATOM 150 C CYS A 11 -0.565 -8.280 -8.116 1.00 0.00 C ATOM 151 O CYS A 11 -0.048 -8.287 -7.009 1.00 0.00 O ATOM 152 CB CYS A 11 -0.738 -10.790 -8.194 1.00 0.00 C ATOM 153 SG CYS A 11 -2.449 -10.794 -7.532 1.00 0.00 S ATOM 0 H CYS A 11 1.455 -10.484 -9.296 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.043 -9.454 -9.879 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.601 -11.667 -8.826 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.037 -10.883 -7.364 1.00 0.00 H new ATOM 158 N PRO A 12 -1.299 -7.212 -8.569 1.00 0.00 N ATOM 159 CA PRO A 12 -1.389 -5.914 -7.828 1.00 0.00 C ATOM 160 C PRO A 12 -1.901 -6.070 -6.377 1.00 0.00 C ATOM 161 O PRO A 12 -1.505 -5.317 -5.484 1.00 0.00 O ATOM 162 CB PRO A 12 -2.374 -5.076 -8.694 1.00 0.00 C ATOM 163 CG PRO A 12 -3.089 -6.071 -9.565 1.00 0.00 C ATOM 164 CD PRO A 12 -2.096 -7.171 -9.831 1.00 0.00 C ATOM 0 HA PRO A 12 -0.411 -5.449 -7.706 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.077 -4.526 -8.068 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.840 -4.340 -9.295 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.978 -6.459 -9.067 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.420 -5.610 -10.495 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.590 -8.122 -10.028 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.471 -6.951 -10.697 1.00 0.00 H new ATOM 172 N ILE A 13 -2.759 -7.080 -6.177 1.00 0.00 N ATOM 173 CA ILE A 13 -3.376 -7.398 -4.880 1.00 0.00 C ATOM 174 C ILE A 13 -2.321 -7.886 -3.853 1.00 0.00 C ATOM 175 O ILE A 13 -2.371 -7.521 -2.675 1.00 0.00 O ATOM 176 CB ILE A 13 -4.485 -8.502 -5.082 1.00 0.00 C ATOM 177 CG1 ILE A 13 -5.505 -8.073 -6.195 1.00 0.00 C ATOM 178 CG2 ILE A 13 -5.220 -8.827 -3.753 1.00 0.00 C ATOM 179 CD1 ILE A 13 -6.524 -9.133 -6.582 1.00 0.00 C ATOM 0 H ILE A 13 -3.049 -7.710 -6.925 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.828 -6.489 -4.484 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.984 -9.413 -5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.039 -7.186 -5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.947 -7.786 -7.086 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.976 -9.591 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.501 -9.193 -3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.699 -7.925 -3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.182 -8.739 -7.357 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.006 -10.015 -6.959 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.115 -9.406 -5.708 1.00 0.00 H new ATOM 191 N CYS A 14 -1.350 -8.689 -4.330 1.00 0.00 N ATOM 192 CA CYS A 14 -0.384 -9.402 -3.465 1.00 0.00 C ATOM 193 C CYS A 14 1.029 -8.788 -3.520 1.00 0.00 C ATOM 194 O CYS A 14 1.790 -8.932 -2.563 1.00 0.00 O ATOM 195 CB CYS A 14 -0.304 -10.880 -3.886 1.00 0.00 C ATOM 196 SG CYS A 14 -1.876 -11.780 -3.768 1.00 0.00 S ATOM 0 H CYS A 14 -1.212 -8.863 -5.325 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.746 -9.310 -2.441 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.055 -10.933 -4.914 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.436 -11.383 -3.263 1.00 0.00 H new ATOM 201 N TYR A 15 1.338 -8.102 -4.642 1.00 0.00 N ATOM 202 CA TYR A 15 2.681 -7.588 -5.011 1.00 0.00 C ATOM 203 C TYR A 15 3.699 -8.722 -5.314 1.00 0.00 C ATOM 204 O TYR A 15 4.174 -8.829 -6.430 1.00 0.00 O ATOM 205 CB TYR A 15 3.255 -6.598 -3.958 1.00 0.00 C ATOM 206 CG TYR A 15 2.398 -5.333 -3.753 1.00 0.00 C ATOM 207 CD1 TYR A 15 1.340 -5.317 -2.832 1.00 0.00 C ATOM 208 CD2 TYR A 15 2.647 -4.164 -4.473 1.00 0.00 C ATOM 209 CE1 TYR A 15 0.567 -4.190 -2.646 1.00 0.00 C ATOM 210 CE2 TYR A 15 1.872 -3.036 -4.287 1.00 0.00 C ATOM 211 CZ TYR A 15 0.839 -3.053 -3.370 1.00 0.00 C ATOM 212 OH TYR A 15 0.082 -1.921 -3.173 1.00 0.00 O ATOM 0 H TYR A 15 0.633 -7.881 -5.345 1.00 0.00 H new ATOM 0 HA TYR A 15 2.529 -7.032 -5.936 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.354 -7.116 -3.004 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.258 -6.299 -4.264 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.126 -6.206 -2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 15 3.458 -4.141 -5.186 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.247 -4.200 -1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.073 -2.142 -4.858 1.00 0.00 H new ATOM 0 HH TYR A 15 0.404 -1.206 -3.761 1.00 0.00 H new ATOM 222 N ALA A 16 3.967 -9.586 -4.329 1.00 0.00 N ATOM 223 CA ALA A 16 5.118 -10.520 -4.327 1.00 0.00 C ATOM 224 C ALA A 16 5.150 -11.516 -5.517 1.00 0.00 C ATOM 225 O ALA A 16 6.205 -11.726 -6.123 1.00 0.00 O ATOM 226 CB ALA A 16 5.150 -11.270 -2.991 1.00 0.00 C ATOM 0 H ALA A 16 3.386 -9.664 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 16 6.013 -9.910 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.994 -11.960 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.256 -10.555 -2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.223 -11.829 -2.865 1.00 0.00 H new ATOM 232 N HIS A 17 3.996 -12.114 -5.848 1.00 0.00 N ATOM 233 CA HIS A 17 3.894 -13.158 -6.899 1.00 0.00 C ATOM 234 C HIS A 17 3.267 -12.556 -8.168 1.00 0.00 C ATOM 235 O HIS A 17 2.467 -11.615 -8.059 1.00 0.00 O ATOM 236 CB HIS A 17 3.060 -14.370 -6.387 1.00 0.00 C ATOM 237 CG HIS A 17 3.741 -15.235 -5.353 1.00 0.00 C ATOM 238 ND1 HIS A 17 3.108 -16.287 -4.732 1.00 0.00 N ATOM 239 CD2 HIS A 17 5.001 -15.213 -4.841 1.00 0.00 C ATOM 240 CE1 HIS A 17 3.941 -16.869 -3.899 1.00 0.00 C ATOM 241 NE2 HIS A 17 5.091 -16.238 -3.942 1.00 0.00 N ATOM 0 H HIS A 17 3.106 -11.894 -5.401 1.00 0.00 H new ATOM 0 HA HIS A 17 4.893 -13.520 -7.141 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.127 -13.995 -5.965 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.796 -14.994 -7.241 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.784 -14.515 -5.097 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.716 -17.726 -3.281 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.918 -16.474 -3.393 1.00 0.00 H new ATOM 250 N PRO A 18 3.609 -13.086 -9.388 1.00 0.00 N ATOM 251 CA PRO A 18 3.078 -12.567 -10.674 1.00 0.00 C ATOM 252 C PRO A 18 1.609 -12.977 -10.952 1.00 0.00 C ATOM 253 O PRO A 18 0.866 -13.372 -10.041 1.00 0.00 O ATOM 254 CB PRO A 18 4.052 -13.183 -11.707 1.00 0.00 C ATOM 255 CG PRO A 18 4.455 -14.487 -11.096 1.00 0.00 C ATOM 256 CD PRO A 18 4.557 -14.220 -9.612 1.00 0.00 C ATOM 0 HA PRO A 18 3.036 -11.478 -10.695 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.569 -13.328 -12.673 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.915 -12.538 -11.875 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.719 -15.263 -11.306 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.407 -14.832 -11.499 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.277 -15.097 -9.028 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.574 -13.955 -9.322 1.00 0.00 H new ATOM 264 N ILE A 19 1.196 -12.817 -12.220 1.00 0.00 N ATOM 265 CA ILE A 19 -0.111 -13.268 -12.711 1.00 0.00 C ATOM 266 C ILE A 19 -0.070 -14.792 -12.974 1.00 0.00 C ATOM 267 O ILE A 19 0.851 -15.302 -13.625 1.00 0.00 O ATOM 268 CB ILE A 19 -0.524 -12.499 -14.026 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.696 -10.964 -13.760 1.00 0.00 C ATOM 270 CG2 ILE A 19 -1.816 -13.094 -14.644 1.00 0.00 C ATOM 271 CD1 ILE A 19 -0.872 -10.108 -15.011 1.00 0.00 C ATOM 0 H ILE A 19 1.766 -12.367 -12.936 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.859 -13.051 -11.948 1.00 0.00 H new ATOM 0 HB ILE A 19 0.286 -12.628 -14.744 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.561 -10.817 -13.113 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.176 -10.606 -13.213 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.074 -12.543 -15.548 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.651 -14.142 -14.893 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.632 -13.016 -13.926 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.983 -9.062 -14.724 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.002 -10.217 -15.653 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.761 -10.432 -15.552 1.00 0.00 H new ATOM 283 N SER A 20 -1.086 -15.492 -12.459 1.00 0.00 N ATOM 284 CA SER A 20 -1.247 -16.945 -12.608 1.00 0.00 C ATOM 285 C SER A 20 -2.657 -17.281 -13.140 1.00 0.00 C ATOM 286 O SER A 20 -2.941 -18.438 -13.472 1.00 0.00 O ATOM 287 CB SER A 20 -0.976 -17.622 -11.243 1.00 0.00 C ATOM 288 OG SER A 20 -1.194 -19.021 -11.284 1.00 0.00 O ATOM 0 H SER A 20 -1.834 -15.059 -11.917 1.00 0.00 H new ATOM 0 HA SER A 20 -0.531 -17.325 -13.336 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.053 -17.426 -10.940 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.622 -17.178 -10.485 1.00 0.00 H new ATOM 0 HG SER A 20 -1.872 -19.227 -11.961 1.00 0.00 H new ATOM 294 N ALA A 21 -3.523 -16.252 -13.259 1.00 0.00 N ATOM 295 CA ALA A 21 -4.928 -16.421 -13.672 1.00 0.00 C ATOM 296 C ALA A 21 -5.448 -15.177 -14.399 1.00 0.00 C ATOM 297 O ALA A 21 -4.924 -14.071 -14.225 1.00 0.00 O ATOM 298 CB ALA A 21 -5.813 -16.733 -12.452 1.00 0.00 C ATOM 0 H ALA A 21 -3.266 -15.283 -13.071 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.973 -17.261 -14.366 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.847 -16.855 -12.774 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.470 -17.653 -11.979 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.750 -15.912 -11.737 1.00 0.00 H new ATOM 304 N VAL A 22 -6.504 -15.379 -15.189 1.00 0.00 N ATOM 305 CA VAL A 22 -7.181 -14.328 -15.941 1.00 0.00 C ATOM 306 C VAL A 22 -8.703 -14.534 -15.832 1.00 0.00 C ATOM 307 O VAL A 22 -9.231 -15.616 -16.148 1.00 0.00 O ATOM 308 CB VAL A 22 -6.706 -14.280 -17.450 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.780 -15.666 -18.136 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.502 -13.216 -18.252 1.00 0.00 C ATOM 0 H VAL A 22 -6.920 -16.300 -15.325 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.918 -13.362 -15.510 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.656 -13.987 -17.442 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.444 -15.579 -19.169 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.140 -16.370 -17.604 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.809 -16.026 -18.118 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.155 -13.205 -19.285 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.564 -13.462 -18.228 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.347 -12.233 -17.806 1.00 0.00 H new ATOM 320 N PHE A 23 -9.385 -13.493 -15.333 1.00 0.00 N ATOM 321 CA PHE A 23 -10.845 -13.472 -15.172 1.00 0.00 C ATOM 322 C PHE A 23 -11.489 -13.276 -16.552 1.00 0.00 C ATOM 323 O PHE A 23 -11.737 -12.138 -16.979 1.00 0.00 O ATOM 324 CB PHE A 23 -11.291 -12.325 -14.200 1.00 0.00 C ATOM 325 CG PHE A 23 -10.573 -12.253 -12.841 1.00 0.00 C ATOM 326 CD1 PHE A 23 -9.936 -13.361 -12.283 1.00 0.00 C ATOM 327 CD2 PHE A 23 -10.547 -11.053 -12.126 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.300 -13.267 -11.065 1.00 0.00 C ATOM 329 CE2 PHE A 23 -9.912 -10.966 -10.905 1.00 0.00 C ATOM 330 CZ PHE A 23 -9.288 -12.072 -10.376 1.00 0.00 C ATOM 0 H PHE A 23 -8.932 -12.632 -15.026 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.170 -14.417 -14.737 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.150 -11.372 -14.710 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.360 -12.432 -14.015 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -9.941 -14.303 -12.812 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.032 -10.180 -12.536 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.808 -14.133 -10.647 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.905 -10.031 -10.365 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.788 -12.005 -9.421 1.00 0.00 H new ATOM 340 N GLN A 24 -11.698 -14.384 -17.273 1.00 0.00 N ATOM 341 CA GLN A 24 -12.195 -14.354 -18.654 1.00 0.00 C ATOM 342 C GLN A 24 -13.738 -14.349 -18.692 1.00 0.00 C ATOM 343 O GLN A 24 -14.393 -14.941 -17.825 1.00 0.00 O ATOM 344 CB GLN A 24 -11.573 -15.517 -19.491 1.00 0.00 C ATOM 345 CG GLN A 24 -10.278 -15.104 -20.220 1.00 0.00 C ATOM 346 CD GLN A 24 -9.577 -16.208 -21.019 1.00 0.00 C ATOM 347 OE1 GLN A 24 -8.351 -16.206 -21.152 1.00 0.00 O ATOM 348 NE2 GLN A 24 -10.336 -17.127 -21.593 1.00 0.00 N ATOM 0 H GLN A 24 -11.528 -15.325 -16.917 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.873 -13.422 -19.119 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.361 -16.359 -18.832 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -12.303 -15.862 -20.224 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.512 -14.284 -20.899 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.577 -14.716 -19.481 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.348 -17.105 -21.466 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.909 -17.858 -22.162 1.00 0.00 H new ATOM 357 N PRO A 25 -14.356 -13.658 -19.702 1.00 0.00 N ATOM 358 CA PRO A 25 -13.647 -12.958 -20.817 1.00 0.00 C ATOM 359 C PRO A 25 -13.340 -11.462 -20.533 1.00 0.00 C ATOM 360 O PRO A 25 -13.043 -10.705 -21.463 1.00 0.00 O ATOM 361 CB PRO A 25 -14.676 -13.124 -21.946 1.00 0.00 C ATOM 362 CG PRO A 25 -15.987 -12.922 -21.249 1.00 0.00 C ATOM 363 CD PRO A 25 -15.828 -13.523 -19.859 1.00 0.00 C ATOM 0 HA PRO A 25 -12.656 -13.363 -21.020 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.525 -12.392 -22.739 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.613 -14.110 -22.406 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.236 -11.863 -21.189 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.796 -13.409 -21.793 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.255 -12.877 -19.092 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.330 -14.487 -19.780 1.00 0.00 H new ATOM 371 N CYS A 26 -13.384 -11.057 -19.244 1.00 0.00 N ATOM 372 CA CYS A 26 -13.244 -9.636 -18.851 1.00 0.00 C ATOM 373 C CYS A 26 -11.794 -9.132 -19.021 1.00 0.00 C ATOM 374 O CYS A 26 -11.573 -7.932 -19.220 1.00 0.00 O ATOM 375 CB CYS A 26 -13.724 -9.391 -17.404 1.00 0.00 C ATOM 376 SG CYS A 26 -13.844 -7.620 -16.995 1.00 0.00 S ATOM 0 H CYS A 26 -13.515 -11.694 -18.458 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.884 -9.067 -19.525 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.698 -9.859 -17.264 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -13.036 -9.874 -16.710 1.00 0.00 H new ATOM 381 N GLY A 27 -10.817 -10.054 -18.919 1.00 0.00 N ATOM 382 CA GLY A 27 -9.405 -9.728 -19.161 1.00 0.00 C ATOM 383 C GLY A 27 -8.637 -9.290 -17.920 1.00 0.00 C ATOM 384 O GLY A 27 -7.403 -9.257 -17.952 1.00 0.00 O ATOM 0 H GLY A 27 -10.983 -11.029 -18.671 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.912 -10.601 -19.589 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.351 -8.934 -19.906 1.00 0.00 H new ATOM 388 N HIS A 28 -9.361 -8.912 -16.848 1.00 0.00 N ATOM 389 CA HIS A 28 -8.755 -8.547 -15.553 1.00 0.00 C ATOM 390 C HIS A 28 -7.995 -9.745 -14.965 1.00 0.00 C ATOM 391 O HIS A 28 -8.579 -10.789 -14.731 1.00 0.00 O ATOM 392 CB HIS A 28 -9.841 -8.018 -14.556 1.00 0.00 C ATOM 393 CG HIS A 28 -10.068 -6.533 -14.640 1.00 0.00 C ATOM 394 ND1 HIS A 28 -11.288 -5.974 -14.968 1.00 0.00 N ATOM 395 CD2 HIS A 28 -9.174 -5.536 -14.417 1.00 0.00 C ATOM 396 CE1 HIS A 28 -11.078 -4.663 -14.934 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.827 -4.360 -14.603 1.00 0.00 N ATOM 0 H HIS A 28 -10.379 -8.851 -16.856 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.042 -7.740 -15.719 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.782 -8.532 -14.752 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.543 -8.274 -13.539 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.136 -5.656 -14.143 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.838 -3.927 -15.151 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.433 -3.424 -14.507 1.00 0.00 H new ATOM 405 N LYS A 29 -6.686 -9.580 -14.747 1.00 0.00 N ATOM 406 CA LYS A 29 -5.802 -10.666 -14.302 1.00 0.00 C ATOM 407 C LYS A 29 -5.331 -10.460 -12.855 1.00 0.00 C ATOM 408 O LYS A 29 -5.358 -9.349 -12.319 1.00 0.00 O ATOM 409 CB LYS A 29 -4.572 -10.785 -15.236 1.00 0.00 C ATOM 410 CG LYS A 29 -4.907 -10.985 -16.723 1.00 0.00 C ATOM 411 CD LYS A 29 -3.674 -11.353 -17.579 1.00 0.00 C ATOM 412 CE LYS A 29 -3.971 -11.323 -19.084 1.00 0.00 C ATOM 413 NZ LYS A 29 -4.278 -9.950 -19.566 1.00 0.00 N ATOM 0 H LYS A 29 -6.207 -8.688 -14.874 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.380 -11.589 -14.344 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.967 -9.884 -15.133 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.959 -11.621 -14.901 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.655 -11.772 -16.818 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.354 -10.071 -17.115 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.863 -10.659 -17.358 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.327 -12.348 -17.301 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.113 -11.715 -19.630 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.814 -11.980 -19.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.255 -9.934 -20.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.224 -9.670 -19.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.570 -9.285 -19.194 1.00 0.00 H new ATOM 427 N SER A 30 -4.902 -11.576 -12.254 1.00 0.00 N ATOM 428 CA SER A 30 -4.272 -11.630 -10.930 1.00 0.00 C ATOM 429 C SER A 30 -3.629 -13.021 -10.768 1.00 0.00 C ATOM 430 O SER A 30 -3.425 -13.731 -11.755 1.00 0.00 O ATOM 431 CB SER A 30 -5.315 -11.356 -9.805 1.00 0.00 C ATOM 432 OG SER A 30 -6.269 -12.394 -9.721 1.00 0.00 O ATOM 0 H SER A 30 -4.986 -12.495 -12.689 1.00 0.00 H new ATOM 0 HA SER A 30 -3.508 -10.857 -10.846 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.802 -11.253 -8.849 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.821 -10.410 -9.999 1.00 0.00 H new ATOM 0 HG SER A 30 -7.137 -12.066 -10.036 1.00 0.00 H new ATOM 438 N CYS A 31 -3.275 -13.406 -9.532 1.00 0.00 N ATOM 439 CA CYS A 31 -2.835 -14.782 -9.239 1.00 0.00 C ATOM 440 C CYS A 31 -4.064 -15.661 -8.955 1.00 0.00 C ATOM 441 O CYS A 31 -5.111 -15.157 -8.523 1.00 0.00 O ATOM 442 CB CYS A 31 -1.866 -14.799 -8.050 1.00 0.00 C ATOM 443 SG CYS A 31 -2.631 -14.507 -6.417 1.00 0.00 S ATOM 0 H CYS A 31 -3.284 -12.787 -8.721 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.305 -15.181 -10.104 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.360 -15.764 -8.029 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.100 -14.041 -8.215 1.00 0.00 H new ATOM 448 N LYS A 32 -3.932 -16.978 -9.195 1.00 0.00 N ATOM 449 CA LYS A 32 -5.046 -17.939 -9.068 1.00 0.00 C ATOM 450 C LYS A 32 -5.467 -18.077 -7.587 1.00 0.00 C ATOM 451 O LYS A 32 -6.636 -18.320 -7.299 1.00 0.00 O ATOM 452 CB LYS A 32 -4.629 -19.299 -9.719 1.00 0.00 C ATOM 453 CG LYS A 32 -5.782 -20.203 -10.251 1.00 0.00 C ATOM 454 CD LYS A 32 -6.559 -20.980 -9.162 1.00 0.00 C ATOM 455 CE LYS A 32 -5.672 -21.989 -8.403 1.00 0.00 C ATOM 456 NZ LYS A 32 -6.445 -22.762 -7.398 1.00 0.00 N ATOM 0 H LYS A 32 -3.052 -17.407 -9.482 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.924 -17.578 -9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.953 -19.087 -10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.062 -19.869 -8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.486 -19.581 -10.804 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.365 -20.919 -10.959 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.987 -20.272 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.392 -21.510 -9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.214 -22.676 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.861 -21.457 -7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.802 -23.109 -6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.168 -22.149 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.907 -23.570 -7.862 1.00 0.00 H new ATOM 470 N ALA A 33 -4.499 -17.864 -6.670 1.00 0.00 N ATOM 471 CA ALA A 33 -4.735 -17.866 -5.210 1.00 0.00 C ATOM 472 C ALA A 33 -5.813 -16.835 -4.795 1.00 0.00 C ATOM 473 O ALA A 33 -6.680 -17.134 -3.954 1.00 0.00 O ATOM 474 CB ALA A 33 -3.412 -17.603 -4.468 1.00 0.00 C ATOM 0 H ALA A 33 -3.527 -17.685 -6.923 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.114 -18.849 -4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.591 -17.605 -3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.693 -18.383 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.014 -16.634 -4.767 1.00 0.00 H new ATOM 480 N CYS A 34 -5.752 -15.630 -5.416 1.00 0.00 N ATOM 481 CA CYS A 34 -6.731 -14.542 -5.188 1.00 0.00 C ATOM 482 C CYS A 34 -8.160 -15.027 -5.446 1.00 0.00 C ATOM 483 O CYS A 34 -9.012 -15.014 -4.547 1.00 0.00 O ATOM 484 CB CYS A 34 -6.423 -13.303 -6.084 1.00 0.00 C ATOM 485 SG CYS A 34 -5.297 -12.082 -5.332 1.00 0.00 S ATOM 0 H CYS A 34 -5.023 -15.388 -6.087 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.644 -14.243 -4.144 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.988 -13.649 -7.022 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.362 -12.808 -6.331 1.00 0.00 H new ATOM 490 N ILE A 35 -8.393 -15.484 -6.676 1.00 0.00 N ATOM 491 CA ILE A 35 -9.726 -15.852 -7.143 1.00 0.00 C ATOM 492 C ILE A 35 -10.196 -17.188 -6.526 1.00 0.00 C ATOM 493 O ILE A 35 -11.391 -17.430 -6.422 1.00 0.00 O ATOM 494 CB ILE A 35 -9.772 -15.899 -8.713 1.00 0.00 C ATOM 495 CG1 ILE A 35 -11.235 -15.975 -9.241 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.913 -17.054 -9.275 1.00 0.00 C ATOM 497 CD1 ILE A 35 -12.126 -14.809 -8.839 1.00 0.00 C ATOM 0 H ILE A 35 -7.662 -15.609 -7.376 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.421 -15.082 -6.808 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.340 -14.965 -9.074 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.210 -16.035 -10.329 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.687 -16.899 -8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.970 -17.054 -10.363 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.876 -16.920 -8.966 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.286 -18.004 -8.892 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.123 -14.953 -9.254 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.189 -14.757 -7.752 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.704 -13.880 -9.222 1.00 0.00 H new ATOM 509 N ASN A 36 -9.243 -18.027 -6.077 1.00 0.00 N ATOM 510 CA ASN A 36 -9.554 -19.319 -5.428 1.00 0.00 C ATOM 511 C ASN A 36 -10.304 -19.072 -4.100 1.00 0.00 C ATOM 512 O ASN A 36 -11.279 -19.762 -3.781 1.00 0.00 O ATOM 513 CB ASN A 36 -8.251 -20.123 -5.177 1.00 0.00 C ATOM 514 CG ASN A 36 -8.507 -21.565 -4.723 1.00 0.00 C ATOM 515 OD1 ASN A 36 -8.566 -22.483 -5.541 1.00 0.00 O ATOM 516 ND2 ASN A 36 -8.671 -21.774 -3.424 1.00 0.00 N ATOM 0 H ASN A 36 -8.244 -17.833 -6.152 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.194 -19.903 -6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.659 -20.137 -6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.656 -19.611 -4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.852 -22.716 -3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.616 -20.992 -2.771 1.00 0.00 H new ATOM 523 N GLN A 37 -9.829 -18.067 -3.348 1.00 0.00 N ATOM 524 CA GLN A 37 -10.452 -17.631 -2.081 1.00 0.00 C ATOM 525 C GLN A 37 -11.753 -16.833 -2.364 1.00 0.00 C ATOM 526 O GLN A 37 -12.732 -16.929 -1.613 1.00 0.00 O ATOM 527 CB GLN A 37 -9.414 -16.795 -1.259 1.00 0.00 C ATOM 528 CG GLN A 37 -9.752 -16.566 0.244 1.00 0.00 C ATOM 529 CD GLN A 37 -10.814 -15.491 0.524 1.00 0.00 C ATOM 530 OE1 GLN A 37 -10.945 -14.516 -0.217 1.00 0.00 O ATOM 531 NE2 GLN A 37 -11.586 -15.671 1.584 1.00 0.00 N ATOM 0 H GLN A 37 -8.999 -17.530 -3.599 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.736 -18.500 -1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.447 -17.294 -1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.302 -15.822 -1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.093 -17.509 0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.836 -16.293 0.767 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.453 -16.489 2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.314 -14.992 1.806 1.00 0.00 H new ATOM 540 N HIS A 38 -11.746 -16.069 -3.470 1.00 0.00 N ATOM 541 CA HIS A 38 -12.874 -15.199 -3.879 1.00 0.00 C ATOM 542 C HIS A 38 -14.114 -16.036 -4.282 1.00 0.00 C ATOM 543 O HIS A 38 -15.236 -15.701 -3.909 1.00 0.00 O ATOM 544 CB HIS A 38 -12.403 -14.297 -5.048 1.00 0.00 C ATOM 545 CG HIS A 38 -13.308 -13.139 -5.419 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.238 -11.935 -4.749 1.00 0.00 N ATOM 547 CD2 HIS A 38 -14.193 -13.016 -6.440 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.063 -11.116 -5.376 1.00 0.00 C ATOM 549 NE2 HIS A 38 -14.664 -11.728 -6.399 1.00 0.00 N ATOM 0 H HIS A 38 -10.955 -16.034 -4.113 1.00 0.00 H new ATOM 0 HA HIS A 38 -13.176 -14.577 -3.036 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.422 -13.895 -4.794 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.272 -14.923 -5.930 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -12.664 -11.720 -3.933 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.472 -13.783 -7.147 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.230 -10.086 -5.098 1.00 0.00 H new ATOM 557 N LEU A 39 -13.877 -17.162 -4.993 1.00 0.00 N ATOM 558 CA LEU A 39 -14.950 -18.052 -5.511 1.00 0.00 C ATOM 559 C LEU A 39 -15.613 -18.898 -4.403 1.00 0.00 C ATOM 560 O LEU A 39 -16.532 -19.674 -4.685 1.00 0.00 O ATOM 561 CB LEU A 39 -14.408 -18.979 -6.639 1.00 0.00 C ATOM 562 CG LEU A 39 -13.980 -18.277 -7.969 1.00 0.00 C ATOM 563 CD1 LEU A 39 -13.495 -19.303 -9.021 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.110 -17.389 -8.536 1.00 0.00 C ATOM 0 H LEU A 39 -12.937 -17.482 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.719 -17.397 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.549 -19.525 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.175 -19.717 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.140 -17.625 -7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.206 -18.780 -9.933 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.638 -19.849 -8.628 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.300 -20.003 -9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.774 -16.919 -9.460 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.988 -18.003 -8.739 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.367 -16.618 -7.809 1.00 0.00 H new ATOM 576 N MET A 40 -15.141 -18.744 -3.153 1.00 0.00 N ATOM 577 CA MET A 40 -15.757 -19.386 -1.974 1.00 0.00 C ATOM 578 C MET A 40 -17.105 -18.707 -1.603 1.00 0.00 C ATOM 579 O MET A 40 -17.882 -19.256 -0.814 1.00 0.00 O ATOM 580 CB MET A 40 -14.766 -19.386 -0.779 1.00 0.00 C ATOM 581 CG MET A 40 -13.460 -20.163 -1.033 1.00 0.00 C ATOM 582 SD MET A 40 -12.284 -20.021 0.337 1.00 0.00 S ATOM 583 CE MET A 40 -10.918 -21.034 -0.249 1.00 0.00 C ATOM 0 H MET A 40 -14.325 -18.174 -2.930 1.00 0.00 H new ATOM 0 HA MET A 40 -15.981 -20.423 -2.224 1.00 0.00 H new ATOM 0 HB2 MET A 40 -14.518 -18.355 -0.529 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.265 -19.813 0.091 1.00 0.00 H new ATOM 0 HG2 MET A 40 -13.694 -21.215 -1.198 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.994 -19.793 -1.946 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.022 -20.805 0.327 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.168 -22.088 -0.127 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.735 -20.824 -1.303 1.00 0.00 H new ATOM 593 N ASN A 41 -17.360 -17.508 -2.171 1.00 0.00 N ATOM 594 CA ASN A 41 -18.641 -16.785 -2.018 1.00 0.00 C ATOM 595 C ASN A 41 -18.916 -15.948 -3.280 1.00 0.00 C ATOM 596 O ASN A 41 -19.940 -16.119 -3.953 1.00 0.00 O ATOM 597 CB ASN A 41 -18.607 -15.869 -0.764 1.00 0.00 C ATOM 598 CG ASN A 41 -19.932 -15.132 -0.522 1.00 0.00 C ATOM 599 OD1 ASN A 41 -20.132 -14.010 -0.982 1.00 0.00 O ATOM 600 ND2 ASN A 41 -20.848 -15.766 0.188 1.00 0.00 N ATOM 0 H ASN A 41 -16.681 -17.013 -2.750 1.00 0.00 H new ATOM 0 HA ASN A 41 -19.442 -17.513 -1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -18.368 -16.471 0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -17.806 -15.138 -0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -21.750 -15.325 0.367 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -20.653 -16.697 0.557 1.00 0.00 H new ATOM 607 N ASN A 42 -17.962 -15.053 -3.595 1.00 0.00 N ATOM 608 CA ASN A 42 -18.077 -14.077 -4.707 1.00 0.00 C ATOM 609 C ASN A 42 -17.763 -14.754 -6.065 1.00 0.00 C ATOM 610 O ASN A 42 -17.321 -15.905 -6.092 1.00 0.00 O ATOM 611 CB ASN A 42 -17.113 -12.888 -4.465 1.00 0.00 C ATOM 612 CG ASN A 42 -17.239 -12.233 -3.084 1.00 0.00 C ATOM 613 OD1 ASN A 42 -18.298 -12.235 -2.466 1.00 0.00 O ATOM 614 ND2 ASN A 42 -16.149 -11.665 -2.591 1.00 0.00 N ATOM 0 H ASN A 42 -17.082 -14.982 -3.085 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.101 -13.705 -4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -16.088 -13.236 -4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -17.292 -12.131 -5.229 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -16.178 -11.215 -1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -15.281 -11.678 -3.126 1.00 0.00 H new ATOM 621 N LYS A 43 -17.975 -14.032 -7.186 1.00 0.00 N ATOM 622 CA LYS A 43 -17.788 -14.592 -8.547 1.00 0.00 C ATOM 623 C LYS A 43 -17.606 -13.433 -9.553 1.00 0.00 C ATOM 624 O LYS A 43 -18.304 -13.330 -10.571 1.00 0.00 O ATOM 625 CB LYS A 43 -19.008 -15.488 -8.909 1.00 0.00 C ATOM 626 CG LYS A 43 -18.845 -16.349 -10.185 1.00 0.00 C ATOM 627 CD LYS A 43 -20.118 -17.166 -10.495 1.00 0.00 C ATOM 628 CE LYS A 43 -19.984 -18.029 -11.759 1.00 0.00 C ATOM 629 NZ LYS A 43 -21.233 -18.772 -12.068 1.00 0.00 N ATOM 0 H LYS A 43 -18.276 -13.058 -7.178 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.894 -15.215 -8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.213 -16.151 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -19.883 -14.849 -9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.613 -15.703 -11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -18.000 -17.026 -10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.346 -17.809 -9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.960 -16.485 -10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -19.723 -17.393 -12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -19.165 -18.737 -11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.095 -19.340 -12.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.469 -19.399 -11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.010 -18.097 -12.219 1.00 0.00 H new ATOM 643 N ASP A 44 -16.635 -12.561 -9.257 1.00 0.00 N ATOM 644 CA ASP A 44 -16.426 -11.303 -10.003 1.00 0.00 C ATOM 645 C ASP A 44 -14.971 -10.826 -9.891 1.00 0.00 C ATOM 646 O ASP A 44 -14.156 -11.424 -9.183 1.00 0.00 O ATOM 647 CB ASP A 44 -17.398 -10.206 -9.481 1.00 0.00 C ATOM 648 CG ASP A 44 -17.177 -9.859 -7.995 1.00 0.00 C ATOM 649 OD1 ASP A 44 -17.475 -10.711 -7.124 1.00 0.00 O ATOM 650 OD2 ASP A 44 -16.680 -8.758 -7.692 1.00 0.00 O ATOM 0 H ASP A 44 -15.970 -12.702 -8.496 1.00 0.00 H new ATOM 0 HA ASP A 44 -16.635 -11.492 -11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.274 -9.304 -10.081 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -18.425 -10.543 -9.620 1.00 0.00 H new ATOM 655 N CYS A 45 -14.645 -9.756 -10.630 1.00 0.00 N ATOM 656 CA CYS A 45 -13.350 -9.079 -10.514 1.00 0.00 C ATOM 657 C CYS A 45 -13.270 -8.332 -9.176 1.00 0.00 C ATOM 658 O CYS A 45 -14.222 -7.662 -8.794 1.00 0.00 O ATOM 659 CB CYS A 45 -13.168 -8.047 -11.635 1.00 0.00 C ATOM 660 SG CYS A 45 -13.064 -8.673 -13.331 1.00 0.00 S ATOM 0 H CYS A 45 -15.269 -9.339 -11.321 1.00 0.00 H new ATOM 0 HA CYS A 45 -12.573 -9.840 -10.582 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.000 -7.345 -11.585 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -12.260 -7.481 -11.428 1.00 0.00 H new ATOM 665 N PHE A 46 -12.121 -8.422 -8.501 1.00 0.00 N ATOM 666 CA PHE A 46 -11.807 -7.557 -7.341 1.00 0.00 C ATOM 667 C PHE A 46 -11.858 -6.071 -7.765 1.00 0.00 C ATOM 668 O PHE A 46 -12.310 -5.212 -7.016 1.00 0.00 O ATOM 669 CB PHE A 46 -10.397 -7.871 -6.785 1.00 0.00 C ATOM 670 CG PHE A 46 -10.226 -9.286 -6.233 1.00 0.00 C ATOM 671 CD1 PHE A 46 -10.016 -10.369 -7.088 1.00 0.00 C ATOM 672 CD2 PHE A 46 -10.243 -9.522 -4.857 1.00 0.00 C ATOM 673 CE1 PHE A 46 -9.838 -11.637 -6.587 1.00 0.00 C ATOM 674 CE2 PHE A 46 -10.060 -10.793 -4.359 1.00 0.00 C ATOM 675 CZ PHE A 46 -9.853 -11.848 -5.222 1.00 0.00 C ATOM 0 H PHE A 46 -11.383 -9.087 -8.733 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.547 -7.750 -6.565 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -9.666 -7.715 -7.578 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.166 -7.157 -5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.993 -10.209 -8.156 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.401 -8.699 -4.176 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -9.687 -12.468 -7.260 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -10.079 -10.963 -3.293 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.702 -12.843 -4.829 1.00 0.00 H new ATOM 685 N PHE A 47 -11.411 -5.826 -9.011 1.00 0.00 N ATOM 686 CA PHE A 47 -11.216 -4.484 -9.580 1.00 0.00 C ATOM 687 C PHE A 47 -12.560 -3.838 -9.997 1.00 0.00 C ATOM 688 O PHE A 47 -13.074 -2.958 -9.301 1.00 0.00 O ATOM 689 CB PHE A 47 -10.251 -4.584 -10.798 1.00 0.00 C ATOM 690 CG PHE A 47 -8.976 -5.394 -10.518 1.00 0.00 C ATOM 691 CD1 PHE A 47 -7.871 -4.802 -9.911 1.00 0.00 C ATOM 692 CD2 PHE A 47 -8.903 -6.757 -10.841 1.00 0.00 C ATOM 693 CE1 PHE A 47 -6.730 -5.538 -9.647 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.761 -7.490 -10.579 1.00 0.00 C ATOM 695 CZ PHE A 47 -6.677 -6.881 -9.975 1.00 0.00 C ATOM 0 H PHE A 47 -11.171 -6.573 -9.662 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.778 -3.841 -8.816 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.783 -5.039 -11.634 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.969 -3.578 -11.109 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.905 -3.756 -9.643 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.752 -7.241 -11.301 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.878 -5.063 -9.183 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.716 -8.536 -10.845 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.788 -7.454 -9.759 1.00 0.00 H new ATOM 705 N CYS A 48 -13.132 -4.303 -11.131 1.00 0.00 N ATOM 706 CA CYS A 48 -14.299 -3.652 -11.777 1.00 0.00 C ATOM 707 C CYS A 48 -15.646 -4.240 -11.290 1.00 0.00 C ATOM 708 O CYS A 48 -16.706 -3.713 -11.639 1.00 0.00 O ATOM 709 CB CYS A 48 -14.196 -3.777 -13.317 1.00 0.00 C ATOM 710 SG CYS A 48 -14.738 -5.381 -13.975 1.00 0.00 S ATOM 0 H CYS A 48 -12.802 -5.134 -11.622 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.279 -2.600 -11.491 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.794 -2.989 -13.775 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -13.162 -3.606 -13.615 1.00 0.00 H new ATOM 715 N LYS A 49 -15.584 -5.346 -10.506 1.00 0.00 N ATOM 716 CA LYS A 49 -16.775 -6.030 -9.921 1.00 0.00 C ATOM 717 C LYS A 49 -17.677 -6.682 -11.031 1.00 0.00 C ATOM 718 O LYS A 49 -18.846 -7.006 -10.799 1.00 0.00 O ATOM 719 CB LYS A 49 -17.555 -5.036 -8.965 1.00 0.00 C ATOM 720 CG LYS A 49 -18.202 -5.644 -7.675 1.00 0.00 C ATOM 721 CD LYS A 49 -19.544 -6.378 -7.919 1.00 0.00 C ATOM 722 CE LYS A 49 -20.633 -5.450 -8.500 1.00 0.00 C ATOM 723 NZ LYS A 49 -21.867 -6.193 -8.860 1.00 0.00 N ATOM 0 H LYS A 49 -14.702 -5.794 -10.258 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.441 -6.865 -9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.864 -4.250 -8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.344 -4.558 -9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.497 -6.342 -7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.365 -4.844 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.379 -7.211 -8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.897 -6.803 -6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.876 -4.676 -7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.244 -4.945 -9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -22.571 -5.531 -9.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.642 -6.914 -9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -22.254 -6.655 -8.012 1.00 0.00 H new ATOM 737 N THR A 50 -17.116 -6.885 -12.243 1.00 0.00 N ATOM 738 CA THR A 50 -17.818 -7.594 -13.343 1.00 0.00 C ATOM 739 C THR A 50 -17.769 -9.115 -13.124 1.00 0.00 C ATOM 740 O THR A 50 -16.684 -9.670 -12.874 1.00 0.00 O ATOM 741 CB THR A 50 -17.206 -7.226 -14.737 1.00 0.00 C ATOM 742 OG1 THR A 50 -17.371 -5.818 -14.966 1.00 0.00 O ATOM 743 CG2 THR A 50 -17.829 -8.015 -15.917 1.00 0.00 C ATOM 0 H THR A 50 -16.178 -6.569 -12.488 1.00 0.00 H new ATOM 0 HA THR A 50 -18.859 -7.272 -13.335 1.00 0.00 H new ATOM 0 HB THR A 50 -16.152 -7.501 -14.701 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.654 -5.327 -14.513 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.356 -7.708 -16.850 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.671 -9.083 -15.765 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.898 -7.810 -15.967 1.00 0.00 H new ATOM 751 N THR A 51 -18.950 -9.761 -13.219 1.00 0.00 N ATOM 752 CA THR A 51 -19.117 -11.212 -13.040 1.00 0.00 C ATOM 753 C THR A 51 -18.281 -11.999 -14.070 1.00 0.00 C ATOM 754 O THR A 51 -18.268 -11.664 -15.263 1.00 0.00 O ATOM 755 CB THR A 51 -20.628 -11.604 -13.164 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.404 -10.795 -12.266 1.00 0.00 O ATOM 757 CG2 THR A 51 -20.883 -13.100 -12.857 1.00 0.00 C ATOM 0 H THR A 51 -19.825 -9.279 -13.425 1.00 0.00 H new ATOM 0 HA THR A 51 -18.762 -11.471 -12.043 1.00 0.00 H new ATOM 0 HB THR A 51 -20.926 -11.429 -14.198 1.00 0.00 H new ATOM 0 HG1 THR A 51 -22.351 -11.037 -12.343 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.947 -13.316 -12.958 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.319 -13.716 -13.557 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.563 -13.322 -11.839 1.00 0.00 H new ATOM 765 N ILE A 52 -17.575 -13.036 -13.590 1.00 0.00 N ATOM 766 CA ILE A 52 -16.685 -13.863 -14.421 1.00 0.00 C ATOM 767 C ILE A 52 -17.449 -15.089 -14.948 1.00 0.00 C ATOM 768 O ILE A 52 -18.188 -15.735 -14.190 1.00 0.00 O ATOM 769 CB ILE A 52 -15.437 -14.353 -13.604 1.00 0.00 C ATOM 770 CG1 ILE A 52 -14.792 -13.184 -12.802 1.00 0.00 C ATOM 771 CG2 ILE A 52 -14.389 -15.005 -14.544 1.00 0.00 C ATOM 772 CD1 ILE A 52 -13.748 -13.625 -11.796 1.00 0.00 C ATOM 0 H ILE A 52 -17.606 -13.325 -12.612 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.341 -13.249 -15.253 1.00 0.00 H new ATOM 0 HB ILE A 52 -15.781 -15.102 -12.891 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.334 -12.486 -13.503 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.578 -12.640 -12.279 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.532 -15.338 -13.958 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -14.837 -15.860 -15.050 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.061 -14.276 -15.285 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.348 -12.752 -11.280 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.204 -14.298 -11.070 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -12.940 -14.142 -12.313 1.00 0.00 H new ATOM 784 N VAL A 53 -17.274 -15.397 -16.244 1.00 0.00 N ATOM 785 CA VAL A 53 -17.835 -16.606 -16.865 1.00 0.00 C ATOM 786 C VAL A 53 -16.948 -17.822 -16.522 1.00 0.00 C ATOM 787 O VAL A 53 -17.453 -18.876 -16.103 1.00 0.00 O ATOM 788 CB VAL A 53 -17.979 -16.425 -18.425 1.00 0.00 C ATOM 789 CG1 VAL A 53 -18.433 -17.728 -19.129 1.00 0.00 C ATOM 790 CG2 VAL A 53 -18.947 -15.256 -18.747 1.00 0.00 C ATOM 0 H VAL A 53 -16.740 -14.815 -16.889 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.835 -16.779 -16.467 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.991 -16.183 -18.816 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -18.517 -17.552 -20.201 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.700 -18.514 -18.947 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.401 -18.036 -18.735 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -19.036 -15.144 -19.828 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -19.928 -15.469 -18.323 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.558 -14.333 -18.317 1.00 0.00 H new ATOM 800 N SER A 54 -15.620 -17.646 -16.669 1.00 0.00 N ATOM 801 CA SER A 54 -14.635 -18.698 -16.378 1.00 0.00 C ATOM 802 C SER A 54 -13.245 -18.075 -16.166 1.00 0.00 C ATOM 803 O SER A 54 -12.825 -17.199 -16.928 1.00 0.00 O ATOM 804 CB SER A 54 -14.624 -19.716 -17.537 1.00 0.00 C ATOM 805 OG SER A 54 -14.408 -19.073 -18.778 1.00 0.00 O ATOM 0 H SER A 54 -15.204 -16.772 -16.992 1.00 0.00 H new ATOM 0 HA SER A 54 -14.908 -19.219 -15.460 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.843 -20.457 -17.367 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.572 -20.253 -17.562 1.00 0.00 H new ATOM 0 HG SER A 54 -13.446 -19.031 -18.962 1.00 0.00 H new ATOM 811 N VAL A 55 -12.544 -18.523 -15.114 1.00 0.00 N ATOM 812 CA VAL A 55 -11.183 -18.065 -14.800 1.00 0.00 C ATOM 813 C VAL A 55 -10.176 -19.083 -15.335 1.00 0.00 C ATOM 814 O VAL A 55 -10.013 -20.175 -14.763 1.00 0.00 O ATOM 815 CB VAL A 55 -10.959 -17.878 -13.254 1.00 0.00 C ATOM 816 CG1 VAL A 55 -9.570 -17.264 -12.957 1.00 0.00 C ATOM 817 CG2 VAL A 55 -12.072 -17.026 -12.627 1.00 0.00 C ATOM 0 H VAL A 55 -12.905 -19.214 -14.456 1.00 0.00 H new ATOM 0 HA VAL A 55 -11.042 -17.094 -15.274 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.995 -18.868 -12.799 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.446 -17.148 -11.880 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.791 -17.922 -13.343 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.493 -16.289 -13.439 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.888 -16.916 -11.558 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.085 -16.042 -13.096 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.034 -17.514 -12.781 1.00 0.00 H new ATOM 827 N GLU A 56 -9.516 -18.725 -16.437 1.00 0.00 N ATOM 828 CA GLU A 56 -8.467 -19.550 -17.048 1.00 0.00 C ATOM 829 C GLU A 56 -7.128 -19.232 -16.370 1.00 0.00 C ATOM 830 O GLU A 56 -6.892 -18.082 -15.993 1.00 0.00 O ATOM 831 CB GLU A 56 -8.401 -19.295 -18.592 1.00 0.00 C ATOM 832 CG GLU A 56 -9.454 -20.054 -19.439 1.00 0.00 C ATOM 833 CD GLU A 56 -10.921 -19.755 -19.064 1.00 0.00 C ATOM 834 OE1 GLU A 56 -11.463 -20.418 -18.154 1.00 0.00 O ATOM 835 OE2 GLU A 56 -11.543 -18.869 -19.686 1.00 0.00 O ATOM 0 H GLU A 56 -9.693 -17.852 -16.934 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.694 -20.606 -16.903 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.518 -18.226 -18.771 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.408 -19.571 -18.946 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.304 -19.804 -20.489 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.278 -21.125 -19.338 1.00 0.00 H new ATOM 842 N ASP A 57 -6.270 -20.250 -16.174 1.00 0.00 N ATOM 843 CA ASP A 57 -4.899 -20.016 -15.684 1.00 0.00 C ATOM 844 C ASP A 57 -4.103 -19.355 -16.824 1.00 0.00 C ATOM 845 O ASP A 57 -4.079 -19.873 -17.953 1.00 0.00 O ATOM 846 CB ASP A 57 -4.209 -21.321 -15.173 1.00 0.00 C ATOM 847 CG ASP A 57 -3.919 -22.368 -16.267 1.00 0.00 C ATOM 848 OD1 ASP A 57 -4.852 -23.076 -16.691 1.00 0.00 O ATOM 849 OD2 ASP A 57 -2.754 -22.488 -16.713 1.00 0.00 O ATOM 0 H ASP A 57 -6.497 -21.230 -16.345 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.933 -19.358 -14.815 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.270 -21.053 -14.688 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.843 -21.777 -14.412 1.00 0.00 H new ATOM 854 N TRP A 58 -3.519 -18.177 -16.549 1.00 0.00 N ATOM 855 CA TRP A 58 -2.886 -17.364 -17.593 1.00 0.00 C ATOM 856 C TRP A 58 -1.572 -18.005 -18.074 1.00 0.00 C ATOM 857 O TRP A 58 -0.573 -18.050 -17.337 1.00 0.00 O ATOM 858 CB TRP A 58 -2.650 -15.909 -17.119 1.00 0.00 C ATOM 859 CG TRP A 58 -2.058 -15.015 -18.197 1.00 0.00 C ATOM 860 CD1 TRP A 58 -2.638 -14.671 -19.388 1.00 0.00 C ATOM 861 CD2 TRP A 58 -0.770 -14.365 -18.182 1.00 0.00 C ATOM 862 NE1 TRP A 58 -1.796 -13.858 -20.106 1.00 0.00 N ATOM 863 CE2 TRP A 58 -0.645 -13.659 -19.390 1.00 0.00 C ATOM 864 CE3 TRP A 58 0.283 -14.317 -17.265 1.00 0.00 C ATOM 865 CZ2 TRP A 58 0.489 -12.917 -19.706 1.00 0.00 C ATOM 866 CZ3 TRP A 58 1.408 -13.578 -17.574 1.00 0.00 C ATOM 867 CH2 TRP A 58 1.505 -12.888 -18.788 1.00 0.00 C ATOM 0 H TRP A 58 -3.474 -17.770 -15.615 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.574 -17.327 -18.438 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.597 -15.485 -16.784 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.983 -15.918 -16.257 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.616 -14.992 -19.715 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -1.996 -13.465 -21.026 1.00 0.00 H new ATOM 0 HE3 TRP A 58 0.218 -14.850 -16.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.565 -12.383 -20.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.225 -13.532 -16.869 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.399 -12.322 -19.005 1.00 0.00 H new ATOM 878 N GLU A 59 -1.610 -18.540 -19.305 1.00 0.00 N ATOM 879 CA GLU A 59 -0.406 -19.001 -20.000 1.00 0.00 C ATOM 880 C GLU A 59 0.365 -17.790 -20.547 1.00 0.00 C ATOM 881 O GLU A 59 -0.219 -16.734 -20.802 1.00 0.00 O ATOM 882 CB GLU A 59 -0.761 -20.010 -21.121 1.00 0.00 C ATOM 883 CG GLU A 59 -1.758 -19.502 -22.187 1.00 0.00 C ATOM 884 CD GLU A 59 -2.070 -20.570 -23.250 1.00 0.00 C ATOM 885 OE1 GLU A 59 -2.999 -21.387 -23.041 1.00 0.00 O ATOM 886 OE2 GLU A 59 -1.366 -20.618 -24.283 1.00 0.00 O ATOM 0 H GLU A 59 -2.470 -18.663 -19.839 1.00 0.00 H new ATOM 0 HA GLU A 59 0.235 -19.528 -19.294 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.160 -20.306 -21.623 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.175 -20.907 -20.660 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.684 -19.197 -21.699 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.347 -18.617 -22.673 1.00 0.00 H new ATOM 893 N LYS A 60 1.685 -17.939 -20.685 1.00 0.00 N ATOM 894 CA LYS A 60 2.584 -16.838 -21.087 1.00 0.00 C ATOM 895 C LYS A 60 2.905 -16.908 -22.594 1.00 0.00 C ATOM 896 O LYS A 60 3.375 -15.919 -23.174 1.00 0.00 O ATOM 897 CB LYS A 60 3.889 -16.859 -20.230 1.00 0.00 C ATOM 898 CG LYS A 60 3.720 -16.489 -18.722 1.00 0.00 C ATOM 899 CD LYS A 60 2.939 -17.546 -17.899 1.00 0.00 C ATOM 900 CE LYS A 60 2.716 -17.124 -16.434 1.00 0.00 C ATOM 901 NZ LYS A 60 1.928 -18.130 -15.675 1.00 0.00 N ATOM 0 H LYS A 60 2.167 -18.823 -20.523 1.00 0.00 H new ATOM 0 HA LYS A 60 2.073 -15.893 -20.904 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.326 -17.856 -20.293 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.605 -16.168 -20.676 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.706 -16.354 -18.278 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.204 -15.532 -18.649 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.973 -17.724 -18.371 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.484 -18.490 -17.921 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.681 -16.979 -15.948 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.199 -16.165 -16.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.802 -17.805 -14.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.997 -18.251 -16.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.433 -19.039 -15.676 1.00 0.00 H new ATOM 915 N GLY A 61 2.639 -18.068 -23.220 1.00 0.00 N ATOM 916 CA GLY A 61 2.853 -18.238 -24.664 1.00 0.00 C ATOM 917 C GLY A 61 4.323 -18.482 -25.035 1.00 0.00 C ATOM 918 O GLY A 61 5.030 -19.165 -24.271 1.00 0.00 O ATOM 919 OXT GLY A 61 4.768 -18.013 -26.109 1.00 0.00 O ATOM 0 H GLY A 61 2.277 -18.897 -22.749 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.252 -19.076 -25.017 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.497 -17.349 -25.184 1.00 0.00 H new TER 923 GLY A 61 HETATM 924 ZN ZN A 101 -3.017 -12.291 -5.778 1.00 0.00 ZN HETATM 925 ZN ZN A 102 -13.182 -6.907 -14.851 1.00 0.00 ZN