USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -170:sc= -2.3! (180deg=-2.68!) USER MOD Single : A 5 TYR OH : rot 130:sc= -1.23 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.205 X(o=0.2,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.6) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.36) USER MOD Single : A 27 THR OG1 : rot -135:sc= 1.33 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.73 K(o=-0.73,f=-1.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00222 USER MOD Single : A 35 TYR OH : rot 72:sc= 0.161 USER MOD Single : A 37 GLN : amide:sc= -0.811 K(o=-0.81,f=-3.6!) USER MOD Single : A 44 ASN : amide:sc= -4.87! C(o=-4.9!,f=-5.7!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.774! C(o=-0.77!,f=-8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -0.672 K(o=-0.67,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.917 -12.974 -6.493 1.00 0.00 N ATOM 2 CA VAL A 1 -0.221 -11.967 -5.667 1.00 0.00 C ATOM 3 C VAL A 1 -0.445 -10.667 -6.466 1.00 0.00 C ATOM 4 O VAL A 1 -0.880 -10.774 -7.598 1.00 0.00 O ATOM 5 CB VAL A 1 1.306 -12.361 -5.536 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.443 -13.627 -4.721 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.976 -12.558 -6.875 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.980 -13.870 -5.968 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.875 -12.637 -6.718 1.00 0.00 H new ATOM 0 H3 VAL A 1 -0.387 -13.126 -7.375 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.580 -11.876 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 1 1.804 -11.529 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.497 -13.892 -4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.027 -13.466 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.904 -14.437 -5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.021 -12.827 -6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.472 -13.356 -7.420 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.919 -11.634 -7.450 1.00 0.00 H new ATOM 19 N ARG A 2 -0.173 -9.504 -5.916 1.00 0.00 N ATOM 20 CA ARG A 2 -0.377 -8.218 -6.693 1.00 0.00 C ATOM 21 C ARG A 2 0.551 -7.091 -6.268 1.00 0.00 C ATOM 22 O ARG A 2 1.204 -7.228 -5.256 1.00 0.00 O ATOM 23 CB ARG A 2 -1.838 -7.654 -6.593 1.00 0.00 C ATOM 24 CG ARG A 2 -2.336 -7.315 -5.170 1.00 0.00 C ATOM 25 CD ARG A 2 -2.666 -8.645 -4.475 1.00 0.00 C ATOM 26 NE ARG A 2 -3.590 -8.524 -3.301 1.00 0.00 N ATOM 27 CZ ARG A 2 -4.633 -9.315 -3.216 1.00 0.00 C ATOM 28 NH1 ARG A 2 -4.660 -10.459 -3.828 1.00 0.00 N ATOM 29 NH2 ARG A 2 -5.640 -8.950 -2.498 1.00 0.00 N ATOM 0 H ARG A 2 0.180 -9.382 -4.967 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.154 -8.520 -7.716 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.901 -6.753 -7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.519 -8.384 -7.031 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.572 -6.770 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.217 -6.675 -5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.114 -9.320 -5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.736 -9.106 -4.143 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.409 -7.832 -2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.861 -10.757 -4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.480 -11.060 -3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.618 -8.057 -2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.458 -9.554 -2.422 1.00 0.00 H new ATOM 43 N ASP A 3 0.558 -6.053 -7.048 1.00 0.00 N ATOM 44 CA ASP A 3 1.383 -4.846 -6.793 1.00 0.00 C ATOM 45 C ASP A 3 0.249 -3.841 -6.669 1.00 0.00 C ATOM 46 O ASP A 3 -0.587 -3.748 -7.557 1.00 0.00 O ATOM 47 CB ASP A 3 2.303 -4.565 -8.011 1.00 0.00 C ATOM 48 CG ASP A 3 3.692 -5.069 -7.643 1.00 0.00 C ATOM 49 OD1 ASP A 3 4.315 -4.295 -6.939 1.00 0.00 O ATOM 50 OD2 ASP A 3 4.027 -6.161 -8.061 1.00 0.00 O ATOM 0 H ASP A 3 -0.005 -5.991 -7.896 1.00 0.00 H new ATOM 0 HA ASP A 3 2.069 -4.874 -5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.931 -5.073 -8.901 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.327 -3.499 -8.239 1.00 0.00 H new ATOM 55 N ALA A 4 0.242 -3.129 -5.574 1.00 0.00 N ATOM 56 CA ALA A 4 -0.827 -2.117 -5.333 1.00 0.00 C ATOM 57 C ALA A 4 -0.546 -1.381 -4.028 1.00 0.00 C ATOM 58 O ALA A 4 0.311 -1.779 -3.258 1.00 0.00 O ATOM 59 CB ALA A 4 -2.155 -2.827 -5.229 1.00 0.00 C ATOM 0 H ALA A 4 0.936 -3.206 -4.831 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.850 -1.401 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.945 -2.097 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.356 -3.362 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.125 -3.536 -4.402 1.00 0.00 H new ATOM 65 N TYR A 5 -1.292 -0.330 -3.807 1.00 0.00 N ATOM 66 CA TYR A 5 -1.107 0.456 -2.558 1.00 0.00 C ATOM 67 C TYR A 5 -1.769 -0.380 -1.459 1.00 0.00 C ATOM 68 O TYR A 5 -2.828 -0.914 -1.710 1.00 0.00 O ATOM 69 CB TYR A 5 -1.842 1.752 -2.677 1.00 0.00 C ATOM 70 CG TYR A 5 -1.138 2.785 -3.553 1.00 0.00 C ATOM 71 CD1 TYR A 5 0.117 3.242 -3.229 1.00 0.00 C ATOM 72 CD2 TYR A 5 -1.766 3.296 -4.666 1.00 0.00 C ATOM 73 CE1 TYR A 5 0.721 4.196 -4.004 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.151 4.249 -5.442 1.00 0.00 C ATOM 75 CZ TYR A 5 0.103 4.708 -5.112 1.00 0.00 C ATOM 76 OH TYR A 5 0.759 5.668 -5.853 1.00 0.00 O ATOM 0 H TYR A 5 -2.017 0.014 -4.436 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.056 0.664 -2.356 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.834 1.559 -3.085 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.983 2.171 -1.681 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.627 2.848 -2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.752 2.945 -4.932 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.705 4.551 -3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.654 4.639 -6.314 1.00 0.00 H new ATOM 0 HH TYR A 5 0.747 5.415 -6.800 1.00 0.00 H new ATOM 86 N ILE A 6 -1.212 -0.469 -0.289 1.00 0.00 N ATOM 87 CA ILE A 6 -1.879 -1.296 0.759 1.00 0.00 C ATOM 88 C ILE A 6 -2.944 -0.493 1.493 1.00 0.00 C ATOM 89 O ILE A 6 -2.793 0.683 1.785 1.00 0.00 O ATOM 90 CB ILE A 6 -0.814 -1.820 1.757 1.00 0.00 C ATOM 91 CG1 ILE A 6 -1.467 -2.646 2.928 1.00 0.00 C ATOM 92 CG2 ILE A 6 0.050 -0.724 2.335 1.00 0.00 C ATOM 93 CD1 ILE A 6 -0.834 -4.010 2.993 1.00 0.00 C ATOM 0 H ILE A 6 -0.341 -0.017 -0.011 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.372 -2.141 0.278 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.170 -2.475 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.331 -2.124 3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.541 -2.739 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.774 -1.157 3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.577 -0.213 1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.577 -0.009 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.285 -4.582 3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.993 -4.530 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.236 -3.906 3.174 1.00 0.00 H new ATOM 105 N ALA A 7 -3.986 -1.229 1.769 1.00 0.00 N ATOM 106 CA ALA A 7 -5.170 -0.675 2.478 1.00 0.00 C ATOM 107 C ALA A 7 -5.017 -0.644 3.982 1.00 0.00 C ATOM 108 O ALA A 7 -4.162 -1.312 4.530 1.00 0.00 O ATOM 109 CB ALA A 7 -6.382 -1.516 2.197 1.00 0.00 C ATOM 0 H ALA A 7 -4.066 -2.216 1.525 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.271 0.345 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.243 -1.101 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.579 -1.523 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.205 -2.535 2.540 1.00 0.00 H new ATOM 115 N LYS A 8 -5.880 0.153 4.565 1.00 0.00 N ATOM 116 CA LYS A 8 -5.890 0.301 6.045 1.00 0.00 C ATOM 117 C LYS A 8 -7.257 -0.081 6.671 1.00 0.00 C ATOM 118 O LYS A 8 -7.414 -1.193 7.126 1.00 0.00 O ATOM 119 CB LYS A 8 -5.455 1.786 6.325 1.00 0.00 C ATOM 120 CG LYS A 8 -6.409 2.892 5.753 1.00 0.00 C ATOM 121 CD LYS A 8 -5.630 4.201 5.469 1.00 0.00 C ATOM 122 CE LYS A 8 -5.745 5.325 6.516 1.00 0.00 C ATOM 123 NZ LYS A 8 -4.657 5.221 7.535 1.00 0.00 N ATOM 0 H LYS A 8 -6.580 0.708 4.072 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.198 -0.392 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.373 1.924 7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.460 1.939 5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.876 2.536 4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.212 3.089 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.575 3.950 5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.968 4.595 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.693 6.295 6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.716 5.270 7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.757 5.989 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.724 4.304 8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.733 5.297 7.065 1.00 0.00 H new ATOM 137 N ASN A 9 -8.221 0.809 6.688 1.00 0.00 N ATOM 138 CA ASN A 9 -9.561 0.478 7.300 1.00 0.00 C ATOM 139 C ASN A 9 -10.839 0.897 6.540 1.00 0.00 C ATOM 140 O ASN A 9 -11.813 0.178 6.587 1.00 0.00 O ATOM 141 CB ASN A 9 -9.614 1.110 8.713 1.00 0.00 C ATOM 142 CG ASN A 9 -10.191 0.126 9.728 1.00 0.00 C ATOM 143 OD1 ASN A 9 -9.582 -0.115 10.747 1.00 0.00 O ATOM 144 ND2 ASN A 9 -11.329 -0.472 9.540 1.00 0.00 N ATOM 0 H ASN A 9 -8.144 1.752 6.306 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.593 -0.611 7.282 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.612 1.409 9.020 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -10.223 2.013 8.689 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.685 -1.123 10.240 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.866 -0.291 8.692 1.00 0.00 H new ATOM 151 N TYR A 10 -10.815 2.028 5.868 1.00 0.00 N ATOM 152 CA TYR A 10 -11.999 2.548 5.116 1.00 0.00 C ATOM 153 C TYR A 10 -11.675 2.904 3.655 1.00 0.00 C ATOM 154 O TYR A 10 -11.601 4.045 3.243 1.00 0.00 O ATOM 155 CB TYR A 10 -12.526 3.775 5.902 1.00 0.00 C ATOM 156 CG TYR A 10 -13.783 3.414 6.735 1.00 0.00 C ATOM 157 CD1 TYR A 10 -13.688 2.748 7.942 1.00 0.00 C ATOM 158 CD2 TYR A 10 -15.041 3.746 6.269 1.00 0.00 C ATOM 159 CE1 TYR A 10 -14.825 2.425 8.657 1.00 0.00 C ATOM 160 CE2 TYR A 10 -16.175 3.424 6.982 1.00 0.00 C ATOM 161 CZ TYR A 10 -16.078 2.760 8.183 1.00 0.00 C ATOM 162 OH TYR A 10 -17.222 2.441 8.891 1.00 0.00 O ATOM 0 H TYR A 10 -9.993 2.629 5.811 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.760 1.771 5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -11.744 4.149 6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -12.767 4.579 5.206 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -12.717 2.478 8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -15.137 4.268 5.328 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -14.733 1.904 9.598 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.147 3.695 6.596 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.009 2.758 8.401 1.00 0.00 H new ATOM 172 N ASN A 11 -11.479 1.865 2.904 1.00 0.00 N ATOM 173 CA ASN A 11 -11.151 1.978 1.439 1.00 0.00 C ATOM 174 C ASN A 11 -10.093 3.022 1.165 1.00 0.00 C ATOM 175 O ASN A 11 -10.124 3.726 0.179 1.00 0.00 O ATOM 176 CB ASN A 11 -12.421 2.336 0.644 1.00 0.00 C ATOM 177 CG ASN A 11 -12.133 2.079 -0.848 1.00 0.00 C ATOM 178 OD1 ASN A 11 -11.908 0.954 -1.253 1.00 0.00 O ATOM 179 ND2 ASN A 11 -12.124 3.053 -1.711 1.00 0.00 N ATOM 0 H ASN A 11 -11.532 0.905 3.245 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.760 1.010 1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.264 1.732 0.979 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.692 3.379 0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.932 2.861 -2.694 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.309 4.008 -1.404 1.00 0.00 H new ATOM 186 N CYS A 12 -9.167 3.068 2.072 1.00 0.00 N ATOM 187 CA CYS A 12 -8.058 4.027 1.943 1.00 0.00 C ATOM 188 C CYS A 12 -6.819 3.165 2.103 1.00 0.00 C ATOM 189 O CYS A 12 -6.932 1.995 2.437 1.00 0.00 O ATOM 190 CB CYS A 12 -8.114 5.089 3.043 1.00 0.00 C ATOM 191 SG CYS A 12 -6.920 6.421 2.781 1.00 0.00 S ATOM 0 H CYS A 12 -9.135 2.476 2.902 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.085 4.571 0.999 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.119 5.509 3.087 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.923 4.619 4.008 1.00 0.00 H new ATOM 196 N VAL A 13 -5.720 3.800 1.871 1.00 0.00 N ATOM 197 CA VAL A 13 -4.374 3.184 1.943 1.00 0.00 C ATOM 198 C VAL A 13 -3.451 3.858 2.961 1.00 0.00 C ATOM 199 O VAL A 13 -3.804 4.841 3.575 1.00 0.00 O ATOM 200 CB VAL A 13 -3.774 3.282 0.545 1.00 0.00 C ATOM 201 CG1 VAL A 13 -4.583 2.420 -0.385 1.00 0.00 C ATOM 202 CG2 VAL A 13 -3.834 4.696 0.013 1.00 0.00 C ATOM 0 H VAL A 13 -5.698 4.788 1.617 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.473 2.152 2.280 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.733 2.963 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.166 2.479 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.554 1.386 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.615 2.769 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.398 4.728 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.873 5.023 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.275 5.358 0.675 1.00 0.00 H new ATOM 212 N TYR A 14 -2.285 3.293 3.101 1.00 0.00 N ATOM 213 CA TYR A 14 -1.270 3.832 4.054 1.00 0.00 C ATOM 214 C TYR A 14 -0.675 5.162 3.537 1.00 0.00 C ATOM 215 O TYR A 14 -0.997 5.602 2.458 1.00 0.00 O ATOM 216 CB TYR A 14 -0.147 2.822 4.199 1.00 0.00 C ATOM 217 CG TYR A 14 -0.447 1.749 5.257 1.00 0.00 C ATOM 218 CD1 TYR A 14 -1.516 0.878 5.157 1.00 0.00 C ATOM 219 CD2 TYR A 14 0.392 1.657 6.354 1.00 0.00 C ATOM 220 CE1 TYR A 14 -1.737 -0.064 6.145 1.00 0.00 C ATOM 221 CE2 TYR A 14 0.169 0.715 7.337 1.00 0.00 C ATOM 222 CZ TYR A 14 -0.897 -0.149 7.237 1.00 0.00 C ATOM 223 OH TYR A 14 -1.123 -1.090 8.219 1.00 0.00 O ATOM 0 H TYR A 14 -1.985 2.465 2.586 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.756 4.014 5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.028 2.339 3.238 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.772 3.343 4.466 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.179 0.933 4.306 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.231 2.331 6.442 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.575 -0.740 6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.833 0.656 8.187 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.436 -1.010 8.913 1.00 0.00 H new ATOM 233 N GLU A 15 0.175 5.737 4.345 1.00 0.00 N ATOM 234 CA GLU A 15 0.873 7.019 4.043 1.00 0.00 C ATOM 235 C GLU A 15 2.292 6.856 4.576 1.00 0.00 C ATOM 236 O GLU A 15 2.492 6.609 5.751 1.00 0.00 O ATOM 237 CB GLU A 15 0.177 8.175 4.760 1.00 0.00 C ATOM 238 CG GLU A 15 -1.144 8.510 4.056 1.00 0.00 C ATOM 239 CD GLU A 15 -1.949 9.431 4.969 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.441 8.896 5.953 1.00 0.00 O ATOM 241 OE2 GLU A 15 -2.013 10.595 4.617 1.00 0.00 O ATOM 0 H GLU A 15 0.426 5.345 5.253 1.00 0.00 H new ATOM 0 HA GLU A 15 0.866 7.239 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.013 7.907 5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.826 9.051 4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.953 8.996 3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.704 7.599 3.845 1.00 0.00 H new ATOM 248 N CYS A 16 3.223 6.990 3.681 1.00 0.00 N ATOM 249 CA CYS A 16 4.651 6.863 4.027 1.00 0.00 C ATOM 250 C CYS A 16 5.444 7.859 3.200 1.00 0.00 C ATOM 251 O CYS A 16 5.003 8.370 2.186 1.00 0.00 O ATOM 252 CB CYS A 16 5.074 5.439 3.725 1.00 0.00 C ATOM 253 SG CYS A 16 4.327 4.748 2.232 1.00 0.00 S ATOM 0 H CYS A 16 3.043 7.188 2.697 1.00 0.00 H new ATOM 0 HA CYS A 16 4.831 7.075 5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.159 5.407 3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.815 4.807 4.574 1.00 0.00 H new ATOM 258 N PHE A 17 6.614 8.075 3.723 1.00 0.00 N ATOM 259 CA PHE A 17 7.602 9.005 3.108 1.00 0.00 C ATOM 260 C PHE A 17 8.960 8.318 2.897 1.00 0.00 C ATOM 261 O PHE A 17 9.833 8.880 2.268 1.00 0.00 O ATOM 262 CB PHE A 17 7.791 10.239 4.016 1.00 0.00 C ATOM 263 CG PHE A 17 6.700 11.316 3.790 1.00 0.00 C ATOM 264 CD1 PHE A 17 5.354 11.067 3.999 1.00 0.00 C ATOM 265 CD2 PHE A 17 7.078 12.576 3.362 1.00 0.00 C ATOM 266 CE1 PHE A 17 4.413 12.054 3.785 1.00 0.00 C ATOM 267 CE2 PHE A 17 6.139 13.564 3.148 1.00 0.00 C ATOM 268 CZ PHE A 17 4.806 13.303 3.360 1.00 0.00 C ATOM 0 H PHE A 17 6.939 7.630 4.582 1.00 0.00 H new ATOM 0 HA PHE A 17 7.216 9.311 2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.775 9.924 5.059 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.772 10.676 3.830 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.037 10.090 4.333 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.123 12.789 3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.366 11.846 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.451 14.542 2.814 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.070 14.075 3.194 1.00 0.00 H new ATOM 278 N ARG A 18 9.110 7.127 3.427 1.00 0.00 N ATOM 279 CA ARG A 18 10.408 6.378 3.281 1.00 0.00 C ATOM 280 C ARG A 18 10.284 4.959 2.755 1.00 0.00 C ATOM 281 O ARG A 18 10.013 4.088 3.561 1.00 0.00 O ATOM 282 CB ARG A 18 11.128 6.255 4.632 1.00 0.00 C ATOM 283 CG ARG A 18 11.030 7.558 5.415 1.00 0.00 C ATOM 284 CD ARG A 18 11.739 8.749 4.696 1.00 0.00 C ATOM 285 NE ARG A 18 11.193 10.046 5.250 1.00 0.00 N ATOM 286 CZ ARG A 18 11.681 11.215 4.908 1.00 0.00 C ATOM 287 NH1 ARG A 18 12.863 11.260 4.365 1.00 0.00 N ATOM 288 NH2 ARG A 18 10.955 12.279 5.130 1.00 0.00 N ATOM 0 H ARG A 18 8.389 6.637 3.957 1.00 0.00 H new ATOM 0 HA ARG A 18 10.957 6.975 2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.689 5.443 5.211 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.175 6.000 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.980 7.806 5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.473 7.419 6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.817 8.696 4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.569 8.696 3.621 1.00 0.00 H new ATOM 0 HE ARG A 18 10.418 10.011 5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.388 10.399 4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.264 12.157 4.090 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.034 12.188 5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.309 13.201 4.874 1.00 0.00 H new ATOM 302 N ASP A 19 10.479 4.748 1.476 1.00 0.00 N ATOM 303 CA ASP A 19 10.386 3.364 0.895 1.00 0.00 C ATOM 304 C ASP A 19 10.614 2.242 1.905 1.00 0.00 C ATOM 305 O ASP A 19 9.821 1.335 2.042 1.00 0.00 O ATOM 306 CB ASP A 19 11.419 3.225 -0.242 1.00 0.00 C ATOM 307 CG ASP A 19 10.793 3.408 -1.639 1.00 0.00 C ATOM 308 OD1 ASP A 19 9.721 3.972 -1.726 1.00 0.00 O ATOM 309 OD2 ASP A 19 11.443 2.958 -2.560 1.00 0.00 O ATOM 0 H ASP A 19 10.701 5.480 0.801 1.00 0.00 H new ATOM 0 HA ASP A 19 9.363 3.253 0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.209 3.963 -0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.887 2.242 -0.184 1.00 0.00 H new ATOM 314 N SER A 20 11.727 2.341 2.588 1.00 0.00 N ATOM 315 CA SER A 20 12.108 1.322 3.623 1.00 0.00 C ATOM 316 C SER A 20 10.889 0.810 4.400 1.00 0.00 C ATOM 317 O SER A 20 10.629 -0.376 4.447 1.00 0.00 O ATOM 318 CB SER A 20 13.128 1.956 4.609 1.00 0.00 C ATOM 319 OG SER A 20 13.439 0.917 5.532 1.00 0.00 O ATOM 0 H SER A 20 12.402 3.097 2.472 1.00 0.00 H new ATOM 0 HA SER A 20 12.553 0.469 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.020 2.301 4.087 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.701 2.821 5.117 1.00 0.00 H new ATOM 0 HG SER A 20 14.085 1.247 6.190 1.00 0.00 H new ATOM 325 N TYR A 21 10.180 1.756 4.961 1.00 0.00 N ATOM 326 CA TYR A 21 8.963 1.477 5.771 1.00 0.00 C ATOM 327 C TYR A 21 8.183 0.383 5.109 1.00 0.00 C ATOM 328 O TYR A 21 7.904 -0.651 5.672 1.00 0.00 O ATOM 329 CB TYR A 21 8.094 2.739 5.841 1.00 0.00 C ATOM 330 CG TYR A 21 7.351 2.770 7.182 1.00 0.00 C ATOM 331 CD1 TYR A 21 8.048 3.165 8.298 1.00 0.00 C ATOM 332 CD2 TYR A 21 6.023 2.416 7.303 1.00 0.00 C ATOM 333 CE1 TYR A 21 7.441 3.210 9.525 1.00 0.00 C ATOM 334 CE2 TYR A 21 5.411 2.460 8.541 1.00 0.00 C ATOM 335 CZ TYR A 21 6.120 2.858 9.657 1.00 0.00 C ATOM 336 OH TYR A 21 5.518 2.902 10.898 1.00 0.00 O ATOM 0 H TYR A 21 10.407 2.747 4.885 1.00 0.00 H new ATOM 0 HA TYR A 21 9.252 1.177 6.778 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.715 3.628 5.736 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.381 2.749 5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.087 3.444 8.207 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.464 2.106 6.433 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.003 3.524 10.392 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.372 2.181 8.636 1.00 0.00 H new ATOM 0 HH TYR A 21 4.582 2.624 10.818 1.00 0.00 H new ATOM 346 N CYS A 22 7.879 0.679 3.883 1.00 0.00 N ATOM 347 CA CYS A 22 7.106 -0.262 3.067 1.00 0.00 C ATOM 348 C CYS A 22 7.862 -1.560 2.879 1.00 0.00 C ATOM 349 O CYS A 22 7.273 -2.602 3.071 1.00 0.00 O ATOM 350 CB CYS A 22 6.839 0.423 1.791 1.00 0.00 C ATOM 351 SG CYS A 22 5.973 2.001 1.953 1.00 0.00 S ATOM 0 H CYS A 22 8.140 1.546 3.413 1.00 0.00 H new ATOM 0 HA CYS A 22 6.168 -0.539 3.548 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.786 0.594 1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.249 -0.237 1.156 1.00 0.00 H new ATOM 356 N ASN A 23 9.115 -1.460 2.523 1.00 0.00 N ATOM 357 CA ASN A 23 9.975 -2.683 2.310 1.00 0.00 C ATOM 358 C ASN A 23 9.910 -3.637 3.512 1.00 0.00 C ATOM 359 O ASN A 23 10.322 -4.778 3.418 1.00 0.00 O ATOM 360 CB ASN A 23 11.463 -2.307 2.104 1.00 0.00 C ATOM 361 CG ASN A 23 12.204 -3.590 1.752 1.00 0.00 C ATOM 362 OD1 ASN A 23 12.146 -4.123 0.667 1.00 0.00 O ATOM 363 ND2 ASN A 23 12.925 -4.139 2.668 1.00 0.00 N ATOM 0 H ASN A 23 9.595 -0.574 2.366 1.00 0.00 H new ATOM 0 HA ASN A 23 9.581 -3.170 1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.568 -1.571 1.307 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.876 -1.859 3.008 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.430 -5.003 2.470 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.991 -3.710 3.591 1.00 0.00 H new ATOM 370 N ASP A 24 9.403 -3.143 4.606 1.00 0.00 N ATOM 371 CA ASP A 24 9.272 -3.948 5.840 1.00 0.00 C ATOM 372 C ASP A 24 7.761 -4.205 6.033 1.00 0.00 C ATOM 373 O ASP A 24 7.302 -5.322 6.125 1.00 0.00 O ATOM 374 CB ASP A 24 9.944 -3.096 6.921 1.00 0.00 C ATOM 375 CG ASP A 24 11.184 -3.866 7.395 1.00 0.00 C ATOM 376 OD1 ASP A 24 12.223 -3.669 6.783 1.00 0.00 O ATOM 377 OD2 ASP A 24 10.999 -4.618 8.337 1.00 0.00 O ATOM 0 H ASP A 24 9.065 -2.184 4.693 1.00 0.00 H new ATOM 0 HA ASP A 24 9.746 -4.930 5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.225 -2.121 6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.261 -2.917 7.751 1.00 0.00 H new ATOM 382 N LEU A 25 6.999 -3.155 6.086 1.00 0.00 N ATOM 383 CA LEU A 25 5.503 -3.205 6.259 1.00 0.00 C ATOM 384 C LEU A 25 4.779 -4.243 5.406 1.00 0.00 C ATOM 385 O LEU A 25 3.992 -5.058 5.866 1.00 0.00 O ATOM 386 CB LEU A 25 4.927 -1.813 5.902 1.00 0.00 C ATOM 387 CG LEU A 25 3.356 -1.788 5.786 1.00 0.00 C ATOM 388 CD1 LEU A 25 2.776 -1.961 7.161 1.00 0.00 C ATOM 389 CD2 LEU A 25 2.863 -0.474 5.228 1.00 0.00 C ATOM 0 H LEU A 25 7.364 -2.205 6.013 1.00 0.00 H new ATOM 0 HA LEU A 25 5.335 -3.494 7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.238 -1.095 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.358 -1.483 4.957 1.00 0.00 H new ATOM 0 HG LEU A 25 3.047 -2.589 5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.688 -1.946 7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.104 -2.914 7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.115 -1.149 7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.775 -0.492 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.173 0.339 5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.284 -0.319 4.235 1.00 0.00 H new ATOM 401 N CYS A 26 5.099 -4.125 4.155 1.00 0.00 N ATOM 402 CA CYS A 26 4.515 -5.007 3.125 1.00 0.00 C ATOM 403 C CYS A 26 4.954 -6.428 3.290 1.00 0.00 C ATOM 404 O CYS A 26 4.152 -7.320 3.494 1.00 0.00 O ATOM 405 CB CYS A 26 4.942 -4.458 1.801 1.00 0.00 C ATOM 406 SG CYS A 26 4.262 -2.845 1.362 1.00 0.00 S ATOM 0 H CYS A 26 5.759 -3.435 3.797 1.00 0.00 H new ATOM 0 HA CYS A 26 3.429 -5.024 3.211 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.030 -4.387 1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.663 -5.172 1.026 1.00 0.00 H new ATOM 411 N THR A 27 6.229 -6.628 3.194 1.00 0.00 N ATOM 412 CA THR A 27 6.770 -7.992 3.340 1.00 0.00 C ATOM 413 C THR A 27 6.229 -8.540 4.662 1.00 0.00 C ATOM 414 O THR A 27 5.909 -9.706 4.737 1.00 0.00 O ATOM 415 CB THR A 27 8.281 -7.838 3.259 1.00 0.00 C ATOM 416 OG1 THR A 27 8.501 -6.637 3.980 1.00 0.00 O ATOM 417 CG2 THR A 27 8.703 -7.551 1.837 1.00 0.00 C ATOM 0 H THR A 27 6.922 -5.901 3.020 1.00 0.00 H new ATOM 0 HA THR A 27 6.476 -8.710 2.575 1.00 0.00 H new ATOM 0 HB THR A 27 8.809 -8.722 3.617 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.127 -6.068 3.485 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.787 -7.443 1.794 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.394 -8.374 1.193 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.233 -6.628 1.497 1.00 0.00 H new ATOM 425 N LYS A 28 6.124 -7.703 5.664 1.00 0.00 N ATOM 426 CA LYS A 28 5.591 -8.162 6.983 1.00 0.00 C ATOM 427 C LYS A 28 4.189 -8.759 6.813 1.00 0.00 C ATOM 428 O LYS A 28 3.822 -9.674 7.523 1.00 0.00 O ATOM 429 CB LYS A 28 5.534 -6.979 7.971 1.00 0.00 C ATOM 430 CG LYS A 28 5.162 -7.491 9.414 1.00 0.00 C ATOM 431 CD LYS A 28 3.629 -7.496 9.774 1.00 0.00 C ATOM 432 CE LYS A 28 3.042 -6.138 10.306 1.00 0.00 C ATOM 433 NZ LYS A 28 2.300 -5.388 9.238 1.00 0.00 N ATOM 0 H LYS A 28 6.386 -6.718 5.625 1.00 0.00 H new ATOM 0 HA LYS A 28 6.257 -8.929 7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.497 -6.470 7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.796 -6.250 7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.544 -8.506 9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.684 -6.871 10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.068 -7.788 8.886 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.455 -8.264 10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.371 -6.336 11.142 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.853 -5.518 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.930 -4.499 9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.945 -5.176 8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.510 -5.969 8.891 1.00 0.00 H new ATOM 447 N ASN A 29 3.431 -8.233 5.888 1.00 0.00 N ATOM 448 CA ASN A 29 2.054 -8.789 5.688 1.00 0.00 C ATOM 449 C ASN A 29 2.190 -10.105 4.890 1.00 0.00 C ATOM 450 O ASN A 29 1.243 -10.857 4.742 1.00 0.00 O ATOM 451 CB ASN A 29 1.209 -7.739 4.912 1.00 0.00 C ATOM 452 CG ASN A 29 -0.129 -7.523 5.613 1.00 0.00 C ATOM 453 OD1 ASN A 29 -1.164 -7.442 4.990 1.00 0.00 O ATOM 454 ND2 ASN A 29 -0.176 -7.414 6.906 1.00 0.00 N ATOM 0 H ASN A 29 3.693 -7.462 5.274 1.00 0.00 H new ATOM 0 HA ASN A 29 1.556 -8.998 6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.753 -6.796 4.851 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.042 -8.078 3.890 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.070 -7.264 7.373 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.681 -7.479 7.455 1.00 0.00 H new ATOM 461 N GLY A 30 3.388 -10.316 4.407 1.00 0.00 N ATOM 462 CA GLY A 30 3.762 -11.521 3.608 1.00 0.00 C ATOM 463 C GLY A 30 3.948 -11.137 2.154 1.00 0.00 C ATOM 464 O GLY A 30 3.803 -11.960 1.277 1.00 0.00 O ATOM 0 H GLY A 30 4.161 -9.665 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.682 -11.956 3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.986 -12.282 3.696 1.00 0.00 H new ATOM 468 N ALA A 31 4.272 -9.899 1.902 1.00 0.00 N ATOM 469 CA ALA A 31 4.466 -9.450 0.487 1.00 0.00 C ATOM 470 C ALA A 31 5.830 -9.928 0.001 1.00 0.00 C ATOM 471 O ALA A 31 6.691 -10.205 0.815 1.00 0.00 O ATOM 472 CB ALA A 31 4.422 -7.943 0.461 1.00 0.00 C ATOM 0 H ALA A 31 4.411 -9.178 2.610 1.00 0.00 H new ATOM 0 HA ALA A 31 3.688 -9.858 -0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.561 -7.593 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.456 -7.601 0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.216 -7.545 1.092 1.00 0.00 H new ATOM 478 N SER A 32 6.014 -10.008 -1.293 1.00 0.00 N ATOM 479 CA SER A 32 7.357 -10.468 -1.759 1.00 0.00 C ATOM 480 C SER A 32 8.263 -9.230 -1.614 1.00 0.00 C ATOM 481 O SER A 32 9.457 -9.395 -1.471 1.00 0.00 O ATOM 482 CB SER A 32 7.307 -10.938 -3.229 1.00 0.00 C ATOM 483 OG SER A 32 8.317 -11.943 -3.323 1.00 0.00 O ATOM 0 H SER A 32 5.330 -9.787 -2.016 1.00 0.00 H new ATOM 0 HA SER A 32 7.719 -11.319 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.326 -11.338 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.503 -10.114 -3.915 1.00 0.00 H new ATOM 0 HG SER A 32 8.345 -12.294 -4.237 1.00 0.00 H new ATOM 489 N SER A 33 7.719 -8.036 -1.669 1.00 0.00 N ATOM 490 CA SER A 33 8.598 -6.828 -1.510 1.00 0.00 C ATOM 491 C SER A 33 7.707 -5.649 -1.114 1.00 0.00 C ATOM 492 O SER A 33 6.505 -5.818 -0.987 1.00 0.00 O ATOM 493 CB SER A 33 9.337 -6.538 -2.853 1.00 0.00 C ATOM 494 OG SER A 33 10.521 -5.860 -2.441 1.00 0.00 O ATOM 0 H SER A 33 6.727 -7.845 -1.814 1.00 0.00 H new ATOM 0 HA SER A 33 9.352 -6.994 -0.741 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.568 -7.457 -3.391 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.733 -5.922 -3.519 1.00 0.00 H new ATOM 0 HG SER A 33 11.060 -5.635 -3.228 1.00 0.00 H new ATOM 500 N GLY A 34 8.323 -4.510 -0.929 1.00 0.00 N ATOM 501 CA GLY A 34 7.555 -3.279 -0.551 1.00 0.00 C ATOM 502 C GLY A 34 8.277 -1.930 -0.671 1.00 0.00 C ATOM 503 O GLY A 34 9.411 -1.785 -0.259 1.00 0.00 O ATOM 0 H GLY A 34 9.330 -4.376 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.659 -3.238 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.224 -3.393 0.481 1.00 0.00 H new ATOM 507 N TYR A 35 7.608 -0.967 -1.252 1.00 0.00 N ATOM 508 CA TYR A 35 8.216 0.400 -1.394 1.00 0.00 C ATOM 509 C TYR A 35 7.075 1.371 -1.131 1.00 0.00 C ATOM 510 O TYR A 35 5.955 0.915 -1.001 1.00 0.00 O ATOM 511 CB TYR A 35 8.798 0.674 -2.817 1.00 0.00 C ATOM 512 CG TYR A 35 7.965 0.355 -4.071 1.00 0.00 C ATOM 513 CD1 TYR A 35 7.807 -0.943 -4.506 1.00 0.00 C ATOM 514 CD2 TYR A 35 7.407 1.381 -4.808 1.00 0.00 C ATOM 515 CE1 TYR A 35 7.106 -1.210 -5.669 1.00 0.00 C ATOM 516 CE2 TYR A 35 6.712 1.109 -5.964 1.00 0.00 C ATOM 517 CZ TYR A 35 6.555 -0.182 -6.408 1.00 0.00 C ATOM 518 OH TYR A 35 5.878 -0.427 -7.589 1.00 0.00 O ATOM 0 H TYR A 35 6.668 -1.063 -1.635 1.00 0.00 H new ATOM 0 HA TYR A 35 9.054 0.503 -0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.056 1.732 -2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.730 0.115 -2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.232 -1.756 -3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.517 2.403 -4.475 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.989 -2.231 -6.001 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.283 1.922 -6.531 1.00 0.00 H new ATOM 0 HH TYR A 35 5.012 -0.841 -7.390 1.00 0.00 H new ATOM 528 N CYS A 36 7.306 2.651 -1.055 1.00 0.00 N ATOM 529 CA CYS A 36 6.160 3.561 -0.799 1.00 0.00 C ATOM 530 C CYS A 36 5.975 4.181 -2.175 1.00 0.00 C ATOM 531 O CYS A 36 6.952 4.579 -2.782 1.00 0.00 O ATOM 532 CB CYS A 36 6.553 4.622 0.219 1.00 0.00 C ATOM 533 SG CYS A 36 5.230 5.743 0.727 1.00 0.00 S ATOM 0 H CYS A 36 8.217 3.098 -1.157 1.00 0.00 H new ATOM 0 HA CYS A 36 5.269 3.078 -0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.942 4.122 1.106 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.368 5.215 -0.197 1.00 0.00 H new ATOM 538 N GLN A 37 4.776 4.265 -2.659 1.00 0.00 N ATOM 539 CA GLN A 37 4.592 4.868 -3.999 1.00 0.00 C ATOM 540 C GLN A 37 3.688 6.070 -3.743 1.00 0.00 C ATOM 541 O GLN A 37 3.014 6.136 -2.725 1.00 0.00 O ATOM 542 CB GLN A 37 3.969 3.790 -4.858 1.00 0.00 C ATOM 543 CG GLN A 37 3.613 4.269 -6.288 1.00 0.00 C ATOM 544 CD GLN A 37 4.869 4.667 -7.058 1.00 0.00 C ATOM 545 OE1 GLN A 37 5.778 3.894 -7.269 1.00 0.00 O ATOM 546 NE2 GLN A 37 4.969 5.879 -7.511 1.00 0.00 N ATOM 0 H GLN A 37 3.926 3.948 -2.194 1.00 0.00 H new ATOM 0 HA GLN A 37 5.491 5.207 -4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.657 2.948 -4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.065 3.425 -4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.091 3.475 -6.822 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.932 5.118 -6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.217 6.549 -7.347 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.799 6.162 -8.032 1.00 0.00 H new ATOM 555 N TRP A 38 3.647 6.996 -4.654 1.00 0.00 N ATOM 556 CA TRP A 38 2.774 8.186 -4.435 1.00 0.00 C ATOM 557 C TRP A 38 1.947 8.310 -5.703 1.00 0.00 C ATOM 558 O TRP A 38 2.457 7.975 -6.760 1.00 0.00 O ATOM 559 CB TRP A 38 3.649 9.498 -4.223 1.00 0.00 C ATOM 560 CG TRP A 38 5.155 9.199 -4.254 1.00 0.00 C ATOM 561 CD1 TRP A 38 5.851 8.789 -5.351 1.00 0.00 C ATOM 562 CD2 TRP A 38 6.014 9.279 -3.203 1.00 0.00 C ATOM 563 NE1 TRP A 38 7.074 8.636 -4.902 1.00 0.00 N ATOM 564 CE2 TRP A 38 7.276 8.903 -3.631 1.00 0.00 C ATOM 565 CE3 TRP A 38 5.817 9.647 -1.879 1.00 0.00 C ATOM 566 CZ2 TRP A 38 8.355 8.890 -2.743 1.00 0.00 C ATOM 567 CZ3 TRP A 38 6.888 9.638 -0.977 1.00 0.00 C ATOM 568 CH2 TRP A 38 8.162 9.261 -1.408 1.00 0.00 C ATOM 0 H TRP A 38 4.170 6.986 -5.530 1.00 0.00 H new ATOM 0 HA TRP A 38 2.155 8.072 -3.545 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.408 10.224 -5.000 1.00 0.00 H new ATOM 0 HB3 TRP A 38 3.390 9.955 -3.268 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.483 8.628 -6.353 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.832 8.325 -5.510 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.834 9.941 -1.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 9.335 8.594 -3.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.729 9.923 0.053 1.00 0.00 H new ATOM 0 HH2 TRP A 38 8.991 9.256 -0.716 1.00 0.00 H new ATOM 579 N ALA A 39 0.730 8.766 -5.532 1.00 0.00 N ATOM 580 CA ALA A 39 -0.223 8.968 -6.660 1.00 0.00 C ATOM 581 C ALA A 39 -0.105 7.965 -7.821 1.00 0.00 C ATOM 582 O ALA A 39 0.451 8.257 -8.861 1.00 0.00 O ATOM 583 CB ALA A 39 -0.015 10.380 -7.143 1.00 0.00 C ATOM 0 H ALA A 39 0.348 9.015 -4.620 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.231 8.791 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.691 10.584 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.219 11.076 -6.330 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.016 10.503 -7.476 1.00 0.00 H new ATOM 646 N ASN A 44 -1.609 8.049 -2.357 1.00 0.00 N ATOM 647 CA ASN A 44 -0.211 7.696 -1.970 1.00 0.00 C ATOM 648 C ASN A 44 -0.403 6.601 -0.957 1.00 0.00 C ATOM 649 O ASN A 44 -1.477 6.525 -0.394 1.00 0.00 O ATOM 650 CB ASN A 44 0.447 8.904 -1.320 1.00 0.00 C ATOM 651 CG ASN A 44 1.845 8.643 -0.758 1.00 0.00 C ATOM 652 OD1 ASN A 44 2.777 9.260 -1.215 1.00 0.00 O ATOM 653 ND2 ASN A 44 2.071 7.785 0.199 1.00 0.00 N ATOM 0 HA ASN A 44 0.418 7.395 -2.808 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.509 9.706 -2.055 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.194 9.260 -0.513 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.020 7.647 0.546 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.299 7.253 0.600 1.00 0.00 H new ATOM 660 N ALA A 45 0.627 5.833 -0.768 1.00 0.00 N ATOM 661 CA ALA A 45 0.613 4.700 0.196 1.00 0.00 C ATOM 662 C ALA A 45 1.756 3.781 -0.097 1.00 0.00 C ATOM 663 O ALA A 45 2.469 3.886 -1.081 1.00 0.00 O ATOM 664 CB ALA A 45 -0.634 3.859 0.093 1.00 0.00 C ATOM 0 H ALA A 45 1.513 5.948 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 45 0.671 5.147 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.587 3.048 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.508 4.478 0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.709 3.442 -0.911 1.00 0.00 H new ATOM 670 N CYS A 46 1.884 2.868 0.820 1.00 0.00 N ATOM 671 CA CYS A 46 2.953 1.897 0.639 1.00 0.00 C ATOM 672 C CYS A 46 2.390 1.073 -0.499 1.00 0.00 C ATOM 673 O CYS A 46 1.203 0.813 -0.543 1.00 0.00 O ATOM 674 CB CYS A 46 3.120 1.096 1.911 1.00 0.00 C ATOM 675 SG CYS A 46 4.351 1.662 3.109 1.00 0.00 S ATOM 0 H CYS A 46 1.308 2.765 1.656 1.00 0.00 H new ATOM 0 HA CYS A 46 3.943 2.301 0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.154 1.062 2.414 1.00 0.00 H new ATOM 0 HB3 CYS A 46 3.370 0.073 1.632 1.00 0.00 H new ATOM 680 N TRP A 47 3.259 0.692 -1.376 1.00 0.00 N ATOM 681 CA TRP A 47 2.904 -0.114 -2.564 1.00 0.00 C ATOM 682 C TRP A 47 3.567 -1.403 -2.194 1.00 0.00 C ATOM 683 O TRP A 47 4.782 -1.536 -2.262 1.00 0.00 O ATOM 684 CB TRP A 47 3.528 0.472 -3.825 1.00 0.00 C ATOM 685 CG TRP A 47 3.125 -0.367 -5.040 1.00 0.00 C ATOM 686 CD1 TRP A 47 3.642 -1.593 -5.368 1.00 0.00 C ATOM 687 CD2 TRP A 47 2.200 -0.015 -5.978 1.00 0.00 C ATOM 688 NE1 TRP A 47 3.005 -1.903 -6.467 1.00 0.00 N ATOM 689 CE2 TRP A 47 2.124 -1.034 -6.920 1.00 0.00 C ATOM 690 CE3 TRP A 47 1.394 1.117 -6.104 1.00 0.00 C ATOM 691 CZ2 TRP A 47 1.237 -0.909 -8.001 1.00 0.00 C ATOM 692 CZ3 TRP A 47 0.514 1.238 -7.177 1.00 0.00 C ATOM 693 CH2 TRP A 47 0.433 0.226 -8.126 1.00 0.00 C ATOM 0 H TRP A 47 4.252 0.918 -1.314 1.00 0.00 H new ATOM 0 HA TRP A 47 1.838 -0.180 -2.782 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.201 1.503 -3.959 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.614 0.492 -3.729 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.394 -2.165 -4.845 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.183 -2.782 -6.954 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.453 1.903 -5.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.176 -1.695 -8.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -0.105 2.118 -7.271 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.250 0.317 -8.958 1.00 0.00 H new ATOM 704 N CYS A 48 2.747 -2.336 -1.809 1.00 0.00 N ATOM 705 CA CYS A 48 3.391 -3.601 -1.435 1.00 0.00 C ATOM 706 C CYS A 48 3.513 -4.283 -2.756 1.00 0.00 C ATOM 707 O CYS A 48 2.727 -4.039 -3.657 1.00 0.00 O ATOM 708 CB CYS A 48 2.496 -4.279 -0.456 1.00 0.00 C ATOM 709 SG CYS A 48 2.324 -3.334 1.070 1.00 0.00 S ATOM 0 H CYS A 48 1.731 -2.282 -1.742 1.00 0.00 H new ATOM 0 HA CYS A 48 4.363 -3.550 -0.945 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.513 -4.425 -0.904 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.893 -5.268 -0.227 1.00 0.00 H new ATOM 714 N TYR A 49 4.501 -5.118 -2.786 1.00 0.00 N ATOM 715 CA TYR A 49 4.789 -5.861 -4.018 1.00 0.00 C ATOM 716 C TYR A 49 4.544 -7.309 -3.822 1.00 0.00 C ATOM 717 O TYR A 49 4.953 -7.932 -2.854 1.00 0.00 O ATOM 718 CB TYR A 49 6.214 -5.521 -4.343 1.00 0.00 C ATOM 719 CG TYR A 49 6.848 -6.301 -5.488 1.00 0.00 C ATOM 720 CD1 TYR A 49 7.317 -7.582 -5.299 1.00 0.00 C ATOM 721 CD2 TYR A 49 6.952 -5.725 -6.729 1.00 0.00 C ATOM 722 CE1 TYR A 49 7.878 -8.273 -6.342 1.00 0.00 C ATOM 723 CE2 TYR A 49 7.510 -6.409 -7.770 1.00 0.00 C ATOM 724 CZ TYR A 49 7.973 -7.686 -7.576 1.00 0.00 C ATOM 725 OH TYR A 49 8.543 -8.400 -8.613 1.00 0.00 O ATOM 0 H TYR A 49 5.123 -5.316 -2.002 1.00 0.00 H new ATOM 0 HA TYR A 49 4.140 -5.591 -4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.267 -4.459 -4.582 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.816 -5.677 -3.448 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.243 -8.044 -4.326 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.589 -4.720 -6.884 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.244 -9.278 -6.191 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.587 -5.947 -8.743 1.00 0.00 H new ATOM 0 HH TYR A 49 8.540 -7.854 -9.427 1.00 0.00 H new ATOM 735 N ALA A 50 3.868 -7.757 -4.837 1.00 0.00 N ATOM 736 CA ALA A 50 3.459 -9.172 -4.944 1.00 0.00 C ATOM 737 C ALA A 50 2.935 -9.596 -3.560 1.00 0.00 C ATOM 738 O ALA A 50 3.519 -10.424 -2.892 1.00 0.00 O ATOM 739 CB ALA A 50 4.683 -9.941 -5.380 1.00 0.00 C ATOM 0 H ALA A 50 3.574 -7.176 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 50 2.666 -9.356 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.434 -10.998 -5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.027 -9.562 -6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.472 -9.819 -4.638 1.00 0.00 H new ATOM 745 N LEU A 51 1.853 -8.975 -3.168 1.00 0.00 N ATOM 746 CA LEU A 51 1.210 -9.257 -1.881 1.00 0.00 C ATOM 747 C LEU A 51 0.847 -10.749 -1.873 1.00 0.00 C ATOM 748 O LEU A 51 0.599 -11.278 -2.937 1.00 0.00 O ATOM 749 CB LEU A 51 -0.018 -8.387 -1.837 1.00 0.00 C ATOM 750 CG LEU A 51 0.138 -6.916 -1.428 1.00 0.00 C ATOM 751 CD1 LEU A 51 0.926 -6.861 -0.142 1.00 0.00 C ATOM 752 CD2 LEU A 51 0.794 -6.207 -2.589 1.00 0.00 C ATOM 0 H LEU A 51 1.382 -8.258 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 51 1.839 -9.050 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.475 -8.409 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.726 -8.849 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.809 -6.415 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.048 -5.823 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.393 -7.410 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.907 -7.311 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.926 -5.153 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.766 -6.658 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.164 -6.297 -3.474 1.00 0.00 H new ATOM 764 N PRO A 52 0.776 -11.408 -0.738 1.00 0.00 N ATOM 765 CA PRO A 52 0.539 -12.890 -0.670 1.00 0.00 C ATOM 766 C PRO A 52 -0.909 -13.340 -0.979 1.00 0.00 C ATOM 767 O PRO A 52 -1.372 -14.401 -0.617 1.00 0.00 O ATOM 768 CB PRO A 52 1.009 -13.232 0.741 1.00 0.00 C ATOM 769 CG PRO A 52 0.545 -11.967 1.540 1.00 0.00 C ATOM 770 CD PRO A 52 0.919 -10.801 0.614 1.00 0.00 C ATOM 0 HA PRO A 52 1.077 -13.430 -1.449 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.549 -14.146 1.116 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.088 -13.375 0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.526 -11.991 1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.050 -11.893 2.503 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.255 -9.947 0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.934 -10.448 0.795 1.00 0.00 H new ATOM 778 N ASP A 53 -1.512 -12.418 -1.664 1.00 0.00 N ATOM 779 CA ASP A 53 -2.905 -12.354 -2.222 1.00 0.00 C ATOM 780 C ASP A 53 -4.043 -12.154 -1.227 1.00 0.00 C ATOM 781 O ASP A 53 -5.136 -11.764 -1.597 1.00 0.00 O ATOM 782 CB ASP A 53 -3.207 -13.609 -3.077 1.00 0.00 C ATOM 783 CG ASP A 53 -2.959 -13.338 -4.566 1.00 0.00 C ATOM 784 OD1 ASP A 53 -3.020 -12.205 -5.040 1.00 0.00 O ATOM 785 OD2 ASP A 53 -2.701 -14.330 -5.212 1.00 0.00 O ATOM 0 H ASP A 53 -1.006 -11.563 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.887 -11.442 -2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.580 -14.437 -2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.243 -13.914 -2.928 1.00 0.00 H new ATOM 790 N ASN A 54 -3.747 -12.426 0.007 1.00 0.00 N ATOM 791 CA ASN A 54 -4.740 -12.283 1.123 1.00 0.00 C ATOM 792 C ASN A 54 -4.592 -10.880 1.750 1.00 0.00 C ATOM 793 O ASN A 54 -4.866 -10.676 2.917 1.00 0.00 O ATOM 794 CB ASN A 54 -4.450 -13.344 2.185 1.00 0.00 C ATOM 795 CG ASN A 54 -2.990 -13.166 2.625 1.00 0.00 C ATOM 796 OD1 ASN A 54 -2.099 -13.458 1.861 1.00 0.00 O ATOM 797 ND2 ASN A 54 -2.672 -12.692 3.794 1.00 0.00 N ATOM 0 H ASN A 54 -2.829 -12.753 0.307 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.753 -12.411 0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.123 -13.231 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.610 -14.344 1.782 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.691 -12.575 4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.404 -12.438 4.457 1.00 0.00 H new ATOM 804 N VAL A 55 -4.166 -9.949 0.941 1.00 0.00 N ATOM 805 CA VAL A 55 -3.968 -8.535 1.394 1.00 0.00 C ATOM 806 C VAL A 55 -4.928 -7.647 0.570 1.00 0.00 C ATOM 807 O VAL A 55 -4.661 -7.311 -0.575 1.00 0.00 O ATOM 808 CB VAL A 55 -2.470 -8.164 1.181 1.00 0.00 C ATOM 809 CG1 VAL A 55 -2.197 -6.730 1.567 1.00 0.00 C ATOM 810 CG2 VAL A 55 -1.665 -9.026 2.124 1.00 0.00 C ATOM 0 H VAL A 55 -3.940 -10.110 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.194 -8.392 2.451 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.214 -8.309 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.143 -6.504 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.808 -6.066 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.443 -6.583 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.605 -8.799 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.970 -8.825 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.838 -10.077 1.894 1.00 0.00 H new ATOM 820 N PRO A 56 -6.048 -7.313 1.164 1.00 0.00 N ATOM 821 CA PRO A 56 -7.045 -6.427 0.521 1.00 0.00 C ATOM 822 C PRO A 56 -6.578 -4.971 0.384 1.00 0.00 C ATOM 823 O PRO A 56 -6.901 -4.121 1.190 1.00 0.00 O ATOM 824 CB PRO A 56 -8.309 -6.587 1.368 1.00 0.00 C ATOM 825 CG PRO A 56 -7.840 -7.116 2.752 1.00 0.00 C ATOM 826 CD PRO A 56 -6.469 -7.773 2.526 1.00 0.00 C ATOM 0 HA PRO A 56 -7.220 -6.711 -0.517 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.831 -5.636 1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.005 -7.284 0.901 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.766 -6.302 3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.553 -7.835 3.154 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.752 -7.465 3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.538 -8.860 2.573 1.00 0.00 H new ATOM 834 N ILE A 57 -5.823 -4.753 -0.657 1.00 0.00 N ATOM 835 CA ILE A 57 -5.256 -3.408 -1.004 1.00 0.00 C ATOM 836 C ILE A 57 -6.439 -2.527 -1.454 1.00 0.00 C ATOM 837 O ILE A 57 -7.587 -2.885 -1.267 1.00 0.00 O ATOM 838 CB ILE A 57 -4.181 -3.634 -2.143 1.00 0.00 C ATOM 839 CG1 ILE A 57 -4.876 -3.837 -3.497 1.00 0.00 C ATOM 840 CG2 ILE A 57 -3.168 -4.706 -1.809 1.00 0.00 C ATOM 841 CD1 ILE A 57 -5.934 -4.910 -3.509 1.00 0.00 C ATOM 0 H ILE A 57 -5.561 -5.487 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.759 -2.909 -0.172 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.581 -2.727 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.331 -2.894 -3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.121 -4.082 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.462 -4.808 -2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.630 -4.429 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.681 -5.655 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.369 -4.981 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.485 -5.866 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.714 -4.660 -2.790 1.00 0.00 H new ATOM 853 N ARG A 58 -6.162 -1.388 -2.020 1.00 0.00 N ATOM 854 CA ARG A 58 -7.307 -0.522 -2.467 1.00 0.00 C ATOM 855 C ARG A 58 -7.415 -0.341 -3.970 1.00 0.00 C ATOM 856 O ARG A 58 -6.587 -0.840 -4.701 1.00 0.00 O ATOM 857 CB ARG A 58 -7.141 0.801 -1.694 1.00 0.00 C ATOM 858 CG ARG A 58 -8.432 1.076 -0.861 1.00 0.00 C ATOM 859 CD ARG A 58 -8.875 -0.168 0.013 1.00 0.00 C ATOM 860 NE ARG A 58 -8.627 0.111 1.471 1.00 0.00 N ATOM 861 CZ ARG A 58 -9.339 -0.434 2.432 1.00 0.00 C ATOM 862 NH1 ARG A 58 -10.024 -1.509 2.171 1.00 0.00 N ATOM 863 NH2 ARG A 58 -9.310 0.131 3.613 1.00 0.00 N ATOM 0 H ARG A 58 -5.227 -1.020 -2.193 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.259 -1.001 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.274 0.745 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.961 1.621 -2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.262 1.931 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.244 1.347 -1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.932 -0.379 -0.150 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.321 -1.055 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.874 0.751 1.724 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.002 -1.913 1.235 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.583 -1.948 2.903 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.747 0.968 3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.851 -0.266 4.382 1.00 0.00 H new ATOM 877 N VAL A 59 -8.445 0.373 -4.351 1.00 0.00 N ATOM 878 CA VAL A 59 -8.758 0.663 -5.790 1.00 0.00 C ATOM 879 C VAL A 59 -8.978 2.169 -6.014 1.00 0.00 C ATOM 880 O VAL A 59 -8.960 2.892 -5.045 1.00 0.00 O ATOM 881 CB VAL A 59 -10.029 -0.175 -6.126 1.00 0.00 C ATOM 882 CG1 VAL A 59 -9.740 -1.622 -5.806 1.00 0.00 C ATOM 883 CG2 VAL A 59 -11.207 0.263 -5.288 1.00 0.00 C ATOM 0 H VAL A 59 -9.110 0.785 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.933 0.390 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.272 -0.035 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.617 -2.227 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.897 -1.966 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.497 -1.719 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.079 -0.339 -5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.972 0.130 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.421 1.314 -5.483 1.00 0.00 H new ATOM 893 N PRO A 60 -9.185 2.638 -7.228 1.00 0.00 N ATOM 894 CA PRO A 60 -9.508 4.075 -7.434 1.00 0.00 C ATOM 895 C PRO A 60 -10.912 4.495 -6.966 1.00 0.00 C ATOM 896 O PRO A 60 -11.726 3.715 -6.511 1.00 0.00 O ATOM 897 CB PRO A 60 -9.299 4.336 -8.944 1.00 0.00 C ATOM 898 CG PRO A 60 -8.983 2.949 -9.606 1.00 0.00 C ATOM 899 CD PRO A 60 -9.103 1.866 -8.498 1.00 0.00 C ATOM 0 HA PRO A 60 -8.855 4.687 -6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.190 4.781 -9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.480 5.037 -9.105 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.679 2.745 -10.419 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.981 2.948 -10.036 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.988 1.246 -8.643 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.242 1.198 -8.501 1.00 0.00 H new ATOM 907 N GLY A 61 -11.127 5.771 -7.115 1.00 0.00 N ATOM 908 CA GLY A 61 -12.411 6.407 -6.725 1.00 0.00 C ATOM 909 C GLY A 61 -11.981 7.416 -5.687 1.00 0.00 C ATOM 910 O GLY A 61 -11.583 8.513 -6.019 1.00 0.00 O ATOM 0 H GLY A 61 -10.442 6.418 -7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.901 6.884 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.115 5.681 -6.317 1.00 0.00 H new ATOM 914 N LYS A 62 -12.046 7.033 -4.443 1.00 0.00 N ATOM 915 CA LYS A 62 -11.630 7.982 -3.359 1.00 0.00 C ATOM 916 C LYS A 62 -11.432 7.246 -2.001 1.00 0.00 C ATOM 917 O LYS A 62 -12.259 6.455 -1.574 1.00 0.00 O ATOM 918 CB LYS A 62 -12.738 9.127 -3.237 1.00 0.00 C ATOM 919 CG LYS A 62 -12.163 10.448 -2.615 1.00 0.00 C ATOM 920 CD LYS A 62 -13.255 11.570 -2.657 1.00 0.00 C ATOM 921 CE LYS A 62 -12.685 12.919 -2.127 1.00 0.00 C ATOM 922 NZ LYS A 62 -13.757 13.974 -2.130 1.00 0.00 N ATOM 0 H LYS A 62 -12.364 6.117 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.668 8.425 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.147 9.341 -4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.563 8.767 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.849 10.271 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.279 10.767 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.612 11.698 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.113 11.271 -2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.298 12.787 -1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.849 13.238 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.364 14.869 -1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.107 14.111 -3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.542 13.673 -1.518 1.00 0.00 H new ATOM 936 N CYS A 63 -10.318 7.538 -1.376 1.00 0.00 N ATOM 937 CA CYS A 63 -9.958 6.944 -0.055 1.00 0.00 C ATOM 938 C CYS A 63 -10.822 7.691 0.991 1.00 0.00 C ATOM 939 O CYS A 63 -11.142 8.848 0.776 1.00 0.00 O ATOM 940 CB CYS A 63 -8.473 7.221 0.216 1.00 0.00 C ATOM 941 SG CYS A 63 -8.041 7.828 1.870 1.00 0.00 S ATOM 0 H CYS A 63 -9.621 8.186 -1.742 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.129 5.868 -0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.918 6.300 0.037 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -8.125 7.951 -0.515 1.00 0.00 H new ATOM 946 N HIS A 64 -11.209 7.069 2.081 1.00 0.00 N ATOM 947 CA HIS A 64 -12.033 7.819 3.077 1.00 0.00 C ATOM 948 C HIS A 64 -12.048 7.057 4.421 1.00 0.00 C ATOM 949 O HIS A 64 -13.115 6.833 4.973 1.00 0.00 O ATOM 950 CB HIS A 64 -13.459 7.998 2.497 1.00 0.00 C ATOM 951 CG HIS A 64 -13.956 6.629 2.055 1.00 0.00 C ATOM 952 ND1 HIS A 64 -14.141 5.626 2.858 1.00 0.00 N ATOM 953 CD2 HIS A 64 -14.292 6.177 0.796 1.00 0.00 C ATOM 954 CE1 HIS A 64 -14.562 4.587 2.220 1.00 0.00 C ATOM 955 NE2 HIS A 64 -14.650 4.929 0.965 1.00 0.00 N ATOM 956 OXT HIS A 64 -10.949 6.730 4.830 1.00 0.00 O ATOM 0 H HIS A 64 -10.996 6.100 2.318 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.609 8.805 3.268 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -14.126 8.423 3.247 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.445 8.690 1.655 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -13.975 5.656 3.864 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.266 6.733 -0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.796 3.621 2.643 1.00 0.00 H new