USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot 180:sc= 0.452 USER MOD Set 1.2: A 14 THR OG1 : rot 150:sc= 0 USER MOD Single : A 1 ARG N :NH3+ 149:sc= 1.31 (180deg=-0.242) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -1.24 F(o=-2.6!,f=-1.2) USER MOD Single : A 6 HIS : +bothHN:sc= -8.03! C(o=-8!,f=-15!) USER MOD Single : A 9 THR OG1 : rot -36:sc= 0.933 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc=0.000535 USER MOD Single : A 18 GLN : amide:sc= -1.85! X(o=-1.9!,f=-1.7) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0414 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= -0.914 (180deg=-2.67!) USER MOD Single : A 25 ASN :FLIP amide:sc= -1.01 F(o=-3.6!,f=-1) USER MOD Single : A 28 THR OG1 : rot -123:sc= -2.14! USER MOD Single : A 31 ASN : amide:sc= -6.61! C(o=-6.6!,f=-16!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 90:sc= 1.44 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -7.65! C(o=-7.7!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.693 13.595 3.913 1.00 0.00 N ATOM 2 CA ARG A 1 2.341 13.422 2.476 1.00 0.00 C ATOM 3 C ARG A 1 1.120 12.501 2.356 1.00 0.00 C ATOM 4 O ARG A 1 0.822 11.741 3.254 1.00 0.00 O ATOM 5 CB ARG A 1 3.522 12.793 1.737 1.00 0.00 C ATOM 6 CG ARG A 1 3.323 12.950 0.228 1.00 0.00 C ATOM 7 CD ARG A 1 4.164 11.912 -0.520 1.00 0.00 C ATOM 8 NE ARG A 1 5.094 12.575 -1.481 1.00 0.00 N ATOM 9 CZ ARG A 1 5.581 13.764 -1.239 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.911 14.830 -1.585 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.748 13.888 -0.669 1.00 0.00 N ATOM 0 H1 ARG A 1 3.720 13.735 4.005 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.195 14.424 4.295 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.410 12.747 4.444 1.00 0.00 H new ATOM 0 HA ARG A 1 2.110 14.393 2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.452 13.271 2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.606 11.737 1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.270 12.827 -0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.609 13.955 -0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.735 11.317 0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 1 3.509 11.225 -1.056 1.00 0.00 H new ATOM 0 HE ARG A 1 5.354 12.092 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.006 14.736 -2.045 1.00 0.00 H new ATOM 0 HH12 ARG A 1 5.293 15.756 -1.395 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.281 13.057 -0.412 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.127 14.816 -0.480 1.00 0.00 H new ATOM 27 N ILE A 2 0.409 12.558 1.256 1.00 0.00 N ATOM 28 CA ILE A 2 -0.787 11.674 1.106 1.00 0.00 C ATOM 29 C ILE A 2 -0.440 10.453 0.271 1.00 0.00 C ATOM 30 O ILE A 2 0.065 10.566 -0.825 1.00 0.00 O ATOM 31 CB ILE A 2 -1.897 12.416 0.374 1.00 0.00 C ATOM 32 CG1 ILE A 2 -1.885 13.876 0.803 1.00 0.00 C ATOM 33 CG2 ILE A 2 -3.246 11.768 0.697 1.00 0.00 C ATOM 34 CD1 ILE A 2 -3.079 14.605 0.182 1.00 0.00 C ATOM 0 H ILE A 2 0.603 13.171 0.464 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.109 11.379 2.105 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.737 12.362 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.929 13.946 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.954 14.350 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.040 12.300 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.235 10.726 0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.425 11.816 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.068 15.650 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.016 14.547 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.005 14.138 0.517 1.00 0.00 H new ATOM 46 N CYS A 3 -0.752 9.288 0.750 1.00 0.00 N ATOM 47 CA CYS A 3 -0.479 8.079 -0.067 1.00 0.00 C ATOM 48 C CYS A 3 -1.806 7.367 -0.312 1.00 0.00 C ATOM 49 O CYS A 3 -2.833 7.781 0.187 1.00 0.00 O ATOM 50 CB CYS A 3 0.495 7.140 0.649 1.00 0.00 C ATOM 51 SG CYS A 3 2.180 7.785 0.498 1.00 0.00 S ATOM 0 H CYS A 3 -1.179 9.119 1.661 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.020 8.372 -1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.222 7.049 1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.437 6.141 0.217 1.00 0.00 H new ATOM 56 N TYR A 4 -1.814 6.307 -1.069 1.00 0.00 N ATOM 57 CA TYR A 4 -3.106 5.618 -1.310 1.00 0.00 C ATOM 58 C TYR A 4 -3.322 4.579 -0.214 1.00 0.00 C ATOM 59 O TYR A 4 -2.398 3.907 0.213 1.00 0.00 O ATOM 60 CB TYR A 4 -3.094 4.922 -2.673 1.00 0.00 C ATOM 61 CG TYR A 4 -4.219 5.434 -3.533 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.507 4.908 -3.390 1.00 0.00 C ATOM 63 CD2 TYR A 4 -3.970 6.428 -4.487 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.547 5.376 -4.200 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.009 6.899 -5.296 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.299 6.372 -5.153 1.00 0.00 C ATOM 67 OH TYR A 4 -7.325 6.833 -5.952 1.00 0.00 O ATOM 0 H TYR A 4 -0.998 5.896 -1.523 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.912 6.352 -1.299 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.140 5.097 -3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.191 3.845 -2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.699 4.141 -2.654 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.974 6.832 -4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.541 4.969 -4.091 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.817 7.668 -6.030 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.983 7.523 -6.558 1.00 0.00 H new ATOM 77 N ASN A 5 -4.538 4.448 0.233 1.00 0.00 N ATOM 78 CA ASN A 5 -4.863 3.466 1.294 1.00 0.00 C ATOM 79 C ASN A 5 -5.732 2.372 0.681 1.00 0.00 C ATOM 80 O ASN A 5 -5.777 1.255 1.155 1.00 0.00 O ATOM 81 CB ASN A 5 -5.636 4.181 2.410 1.00 0.00 C ATOM 82 CG ASN A 5 -6.439 3.170 3.229 1.00 0.00 C ATOM 83 OD1 ASN A 5 -5.924 2.000 3.476 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -7.545 3.449 3.644 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.333 4.992 -0.101 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.955 3.028 1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.942 4.715 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.306 4.925 1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.946 4.366 3.449 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.073 2.766 4.188 1.00 0.00 H new ATOM 91 N HIS A 6 -6.434 2.696 -0.369 1.00 0.00 N ATOM 92 CA HIS A 6 -7.313 1.695 -1.013 1.00 0.00 C ATOM 93 C HIS A 6 -6.523 0.409 -1.279 1.00 0.00 C ATOM 94 O HIS A 6 -5.431 0.430 -1.811 1.00 0.00 O ATOM 95 CB HIS A 6 -7.892 2.305 -2.310 1.00 0.00 C ATOM 96 CG HIS A 6 -7.450 1.538 -3.532 1.00 0.00 C ATOM 97 ND1 HIS A 6 -6.738 2.133 -4.561 1.00 0.00 N ATOM 98 CD2 HIS A 6 -7.622 0.227 -3.904 1.00 0.00 C ATOM 99 CE1 HIS A 6 -6.511 1.190 -5.494 1.00 0.00 C ATOM 100 NE2 HIS A 6 -7.029 0.011 -5.143 1.00 0.00 N ATOM 0 H HIS A 6 -6.433 3.617 -0.807 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.145 1.432 -0.359 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.981 2.308 -2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.574 3.344 -2.397 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -6.440 3.108 -4.604 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.139 -0.522 -3.323 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.975 1.366 -6.415 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.997 -0.861 -5.671 1.00 0.00 H new ATOM 108 N LEU A 7 -7.074 -0.708 -0.890 1.00 0.00 N ATOM 109 CA LEU A 7 -6.374 -2.007 -1.091 1.00 0.00 C ATOM 110 C LEU A 7 -7.011 -2.775 -2.254 1.00 0.00 C ATOM 111 O LEU A 7 -8.161 -2.576 -2.589 1.00 0.00 O ATOM 112 CB LEU A 7 -6.490 -2.835 0.190 1.00 0.00 C ATOM 113 CG LEU A 7 -7.965 -3.121 0.478 1.00 0.00 C ATOM 114 CD1 LEU A 7 -8.131 -4.586 0.883 1.00 0.00 C ATOM 115 CD2 LEU A 7 -8.446 -2.219 1.617 1.00 0.00 C ATOM 0 H LEU A 7 -7.986 -0.776 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.325 -1.821 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.941 -3.770 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.042 -2.297 1.026 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.555 -2.923 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.182 -4.790 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.788 -5.229 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.541 -4.785 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.497 -2.422 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.856 -2.417 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.328 -1.175 1.329 1.00 0.00 H new ATOM 127 N GLY A 8 -6.269 -3.661 -2.861 1.00 0.00 N ATOM 128 CA GLY A 8 -6.819 -4.460 -3.994 1.00 0.00 C ATOM 129 C GLY A 8 -7.559 -3.543 -4.972 1.00 0.00 C ATOM 130 O GLY A 8 -7.182 -2.407 -5.178 1.00 0.00 O ATOM 0 H GLY A 8 -5.300 -3.867 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.011 -4.979 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.498 -5.224 -3.615 1.00 0.00 H new ATOM 134 N THR A 9 -8.605 -4.033 -5.583 1.00 0.00 N ATOM 135 CA THR A 9 -9.365 -3.194 -6.555 1.00 0.00 C ATOM 136 C THR A 9 -10.745 -2.855 -5.984 1.00 0.00 C ATOM 137 O THR A 9 -11.598 -2.330 -6.672 1.00 0.00 O ATOM 138 CB THR A 9 -9.529 -3.964 -7.867 1.00 0.00 C ATOM 139 OG1 THR A 9 -10.200 -3.144 -8.814 1.00 0.00 O ATOM 140 CG2 THR A 9 -10.346 -5.233 -7.618 1.00 0.00 C ATOM 0 H THR A 9 -8.966 -4.978 -5.451 1.00 0.00 H new ATOM 0 HA THR A 9 -8.818 -2.269 -6.738 1.00 0.00 H new ATOM 0 HB THR A 9 -8.547 -4.238 -8.253 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.877 -2.603 -8.357 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.462 -5.780 -8.553 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.830 -5.861 -6.892 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.329 -4.963 -7.231 1.00 0.00 H new ATOM 148 N LYS A 10 -10.971 -3.143 -4.732 1.00 0.00 N ATOM 149 CA LYS A 10 -12.296 -2.827 -4.121 1.00 0.00 C ATOM 150 C LYS A 10 -12.560 -1.313 -4.290 1.00 0.00 C ATOM 151 O LYS A 10 -11.843 -0.657 -5.020 1.00 0.00 O ATOM 152 CB LYS A 10 -12.261 -3.243 -2.640 1.00 0.00 C ATOM 153 CG LYS A 10 -11.524 -4.578 -2.507 1.00 0.00 C ATOM 154 CD LYS A 10 -12.418 -5.586 -1.779 1.00 0.00 C ATOM 155 CE LYS A 10 -12.609 -6.827 -2.655 1.00 0.00 C ATOM 156 NZ LYS A 10 -14.030 -7.269 -2.592 1.00 0.00 N ATOM 0 H LYS A 10 -10.297 -3.583 -4.105 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.106 -3.371 -4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.760 -2.477 -2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.275 -3.334 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.258 -4.958 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.593 -4.438 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.967 -5.866 -0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.384 -5.135 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.333 -6.603 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.953 -7.629 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.158 -8.112 -3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.279 -7.499 -1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.647 -6.505 -2.936 1.00 0.00 H new ATOM 170 N PRO A 11 -13.594 -0.800 -3.646 1.00 0.00 N ATOM 171 CA PRO A 11 -13.979 0.635 -3.736 1.00 0.00 C ATOM 172 C PRO A 11 -13.413 1.574 -2.619 1.00 0.00 C ATOM 173 O PRO A 11 -14.065 2.550 -2.307 1.00 0.00 O ATOM 174 CB PRO A 11 -15.497 0.568 -3.554 1.00 0.00 C ATOM 175 CG PRO A 11 -15.796 -0.746 -2.778 1.00 0.00 C ATOM 176 CD PRO A 11 -14.517 -1.601 -2.832 1.00 0.00 C ATOM 0 HA PRO A 11 -13.593 1.059 -4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.859 1.435 -3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.003 0.571 -4.519 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.072 -0.530 -1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.635 -1.277 -3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.116 -1.784 -1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.706 -2.575 -3.283 1.00 0.00 H new ATOM 184 N PRO A 12 -12.254 1.311 -2.048 1.00 0.00 N ATOM 185 CA PRO A 12 -11.695 2.193 -1.001 1.00 0.00 C ATOM 186 C PRO A 12 -11.140 3.488 -1.612 1.00 0.00 C ATOM 187 O PRO A 12 -11.424 3.815 -2.746 1.00 0.00 O ATOM 188 CB PRO A 12 -10.603 1.347 -0.354 1.00 0.00 C ATOM 189 CG PRO A 12 -10.222 0.262 -1.387 1.00 0.00 C ATOM 190 CD PRO A 12 -11.404 0.155 -2.361 1.00 0.00 C ATOM 0 HA PRO A 12 -12.439 2.521 -0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.739 1.959 -0.097 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.959 0.894 0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.307 0.533 -1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.036 -0.693 -0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.066 0.181 -3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.945 -0.782 -2.226 1.00 0.00 H new ATOM 198 N THR A 13 -10.378 4.247 -0.862 1.00 0.00 N ATOM 199 CA THR A 13 -9.849 5.533 -1.411 1.00 0.00 C ATOM 200 C THR A 13 -8.415 5.776 -0.935 1.00 0.00 C ATOM 201 O THR A 13 -7.717 4.869 -0.528 1.00 0.00 O ATOM 202 CB THR A 13 -10.733 6.683 -0.924 1.00 0.00 C ATOM 203 OG1 THR A 13 -10.363 7.881 -1.592 1.00 0.00 O ATOM 204 CG2 THR A 13 -10.550 6.859 0.585 1.00 0.00 C ATOM 0 H THR A 13 -10.102 4.034 0.097 1.00 0.00 H new ATOM 0 HA THR A 13 -9.855 5.478 -2.500 1.00 0.00 H new ATOM 0 HB THR A 13 -11.777 6.458 -1.140 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.930 8.617 -1.281 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.179 7.678 0.935 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.835 5.939 1.096 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.506 7.086 0.801 1.00 0.00 H new ATOM 212 N THR A 14 -7.974 7.009 -0.989 1.00 0.00 N ATOM 213 CA THR A 14 -6.590 7.335 -0.550 1.00 0.00 C ATOM 214 C THR A 14 -6.576 7.657 0.943 1.00 0.00 C ATOM 215 O THR A 14 -7.585 7.605 1.616 1.00 0.00 O ATOM 216 CB THR A 14 -6.078 8.556 -1.312 1.00 0.00 C ATOM 217 OG1 THR A 14 -6.988 9.635 -1.148 1.00 0.00 O ATOM 218 CG2 THR A 14 -5.946 8.214 -2.790 1.00 0.00 C ATOM 0 H THR A 14 -8.519 7.805 -1.321 1.00 0.00 H new ATOM 0 HA THR A 14 -5.952 6.474 -0.750 1.00 0.00 H new ATOM 0 HB THR A 14 -5.103 8.846 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.500 10.484 -1.189 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.581 9.085 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.243 7.390 -2.911 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.919 7.922 -3.184 1.00 0.00 H new ATOM 226 N GLU A 15 -5.430 8.008 1.452 1.00 0.00 N ATOM 227 CA GLU A 15 -5.323 8.362 2.897 1.00 0.00 C ATOM 228 C GLU A 15 -4.141 9.315 3.087 1.00 0.00 C ATOM 229 O GLU A 15 -3.222 9.342 2.294 1.00 0.00 O ATOM 230 CB GLU A 15 -5.119 7.093 3.738 1.00 0.00 C ATOM 231 CG GLU A 15 -3.662 6.622 3.649 1.00 0.00 C ATOM 232 CD GLU A 15 -2.804 7.412 4.641 1.00 0.00 C ATOM 233 OE1 GLU A 15 -3.178 7.471 5.801 1.00 0.00 O ATOM 234 OE2 GLU A 15 -1.790 7.946 4.224 1.00 0.00 O ATOM 0 H GLU A 15 -4.557 8.066 0.928 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.242 8.848 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.381 7.292 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.785 6.305 3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.600 5.556 3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.286 6.762 2.636 1.00 0.00 H new ATOM 241 N THR A 16 -4.157 10.101 4.128 1.00 0.00 N ATOM 242 CA THR A 16 -3.030 11.048 4.353 1.00 0.00 C ATOM 243 C THR A 16 -2.116 10.504 5.450 1.00 0.00 C ATOM 244 O THR A 16 -2.566 10.041 6.480 1.00 0.00 O ATOM 245 CB THR A 16 -3.585 12.411 4.781 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.994 12.425 4.601 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.951 13.516 3.936 1.00 0.00 C ATOM 0 H THR A 16 -4.898 10.128 4.829 1.00 0.00 H new ATOM 0 HA THR A 16 -2.462 11.160 3.430 1.00 0.00 H new ATOM 0 HB THR A 16 -3.349 12.583 5.831 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.350 13.296 4.876 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.349 14.483 4.244 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.870 13.507 4.077 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.182 13.347 2.884 1.00 0.00 H new ATOM 255 N CYS A 17 -0.833 10.556 5.235 1.00 0.00 N ATOM 256 CA CYS A 17 0.122 10.044 6.255 1.00 0.00 C ATOM 257 C CYS A 17 1.329 10.972 6.326 1.00 0.00 C ATOM 258 O CYS A 17 1.418 11.950 5.611 1.00 0.00 O ATOM 259 CB CYS A 17 0.603 8.657 5.845 1.00 0.00 C ATOM 260 SG CYS A 17 -0.340 7.386 6.713 1.00 0.00 S ATOM 0 H CYS A 17 -0.402 10.934 4.391 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.375 9.998 7.224 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.493 8.530 4.768 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.664 8.551 6.071 1.00 0.00 H new ATOM 265 N GLN A 18 2.275 10.659 7.165 1.00 0.00 N ATOM 266 CA GLN A 18 3.486 11.512 7.255 1.00 0.00 C ATOM 267 C GLN A 18 4.561 10.942 6.353 1.00 0.00 C ATOM 268 O GLN A 18 5.337 11.660 5.752 1.00 0.00 O ATOM 269 CB GLN A 18 4.037 11.507 8.666 1.00 0.00 C ATOM 270 CG GLN A 18 5.273 12.406 8.691 1.00 0.00 C ATOM 271 CD GLN A 18 4.906 13.782 8.123 1.00 0.00 C ATOM 272 OE1 GLN A 18 4.637 14.706 8.864 1.00 0.00 O ATOM 273 NE2 GLN A 18 4.882 13.953 6.826 1.00 0.00 N ATOM 0 H GLN A 18 2.261 9.852 7.789 1.00 0.00 H new ATOM 0 HA GLN A 18 3.213 12.526 6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.287 11.869 9.370 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.296 10.493 8.971 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.643 12.507 9.711 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.075 11.959 8.104 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.108 13.176 6.205 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.637 14.863 6.436 1.00 0.00 H new ATOM 282 N GLU A 19 4.626 9.651 6.271 1.00 0.00 N ATOM 283 CA GLU A 19 5.678 9.035 5.417 1.00 0.00 C ATOM 284 C GLU A 19 5.391 9.402 3.972 1.00 0.00 C ATOM 285 O GLU A 19 4.323 9.143 3.453 1.00 0.00 O ATOM 286 CB GLU A 19 5.712 7.502 5.536 1.00 0.00 C ATOM 287 CG GLU A 19 4.798 7.004 6.659 1.00 0.00 C ATOM 288 CD GLU A 19 5.266 7.581 7.996 1.00 0.00 C ATOM 289 OE1 GLU A 19 6.303 7.153 8.473 1.00 0.00 O ATOM 290 OE2 GLU A 19 4.578 8.442 8.520 1.00 0.00 O ATOM 0 H GLU A 19 4.007 8.997 6.750 1.00 0.00 H new ATOM 0 HA GLU A 19 6.645 9.413 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.404 7.056 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.734 7.174 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.768 7.303 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.812 5.915 6.697 1.00 0.00 H new ATOM 297 N ASP A 20 6.334 10.004 3.312 1.00 0.00 N ATOM 298 CA ASP A 20 6.089 10.377 1.893 1.00 0.00 C ATOM 299 C ASP A 20 6.097 9.111 1.056 1.00 0.00 C ATOM 300 O ASP A 20 5.745 9.120 -0.107 1.00 0.00 O ATOM 301 CB ASP A 20 7.141 11.358 1.346 1.00 0.00 C ATOM 302 CG ASP A 20 8.281 11.556 2.348 1.00 0.00 C ATOM 303 OD1 ASP A 20 9.175 10.726 2.370 1.00 0.00 O ATOM 304 OD2 ASP A 20 8.243 12.535 3.075 1.00 0.00 O ATOM 0 H ASP A 20 7.251 10.252 3.684 1.00 0.00 H new ATOM 0 HA ASP A 20 5.125 10.882 1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.541 10.980 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.671 12.318 1.130 1.00 0.00 H new ATOM 309 N SER A 21 6.482 8.009 1.637 1.00 0.00 N ATOM 310 CA SER A 21 6.488 6.753 0.865 1.00 0.00 C ATOM 311 C SER A 21 5.076 6.166 0.903 1.00 0.00 C ATOM 312 O SER A 21 4.274 6.531 1.740 1.00 0.00 O ATOM 313 CB SER A 21 7.477 5.766 1.488 1.00 0.00 C ATOM 314 OG SER A 21 8.398 6.476 2.305 1.00 0.00 O ATOM 0 H SER A 21 6.789 7.932 2.607 1.00 0.00 H new ATOM 0 HA SER A 21 6.790 6.944 -0.165 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.943 5.025 2.082 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.009 5.225 0.706 1.00 0.00 H new ATOM 0 HG SER A 21 9.032 5.846 2.707 1.00 0.00 H new ATOM 320 N CYS A 22 4.760 5.249 0.033 1.00 0.00 N ATOM 321 CA CYS A 22 3.404 4.637 0.056 1.00 0.00 C ATOM 322 C CYS A 22 3.583 3.136 -0.135 1.00 0.00 C ATOM 323 O CYS A 22 4.390 2.709 -0.934 1.00 0.00 O ATOM 324 CB CYS A 22 2.550 5.216 -1.075 1.00 0.00 C ATOM 325 SG CYS A 22 2.872 6.991 -1.228 1.00 0.00 S ATOM 0 H CYS A 22 5.383 4.897 -0.694 1.00 0.00 H new ATOM 0 HA CYS A 22 2.899 4.847 0.999 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.780 4.712 -2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.493 5.044 -0.872 1.00 0.00 H new ATOM 330 N TYR A 23 2.865 2.320 0.585 1.00 0.00 N ATOM 331 CA TYR A 23 3.064 0.861 0.399 1.00 0.00 C ATOM 332 C TYR A 23 1.847 0.248 -0.263 1.00 0.00 C ATOM 333 O TYR A 23 0.718 0.471 0.120 1.00 0.00 O ATOM 334 CB TYR A 23 3.368 0.164 1.734 1.00 0.00 C ATOM 335 CG TYR A 23 2.118 0.002 2.574 1.00 0.00 C ATOM 336 CD1 TYR A 23 1.118 -0.901 2.186 1.00 0.00 C ATOM 337 CD2 TYR A 23 1.973 0.737 3.756 1.00 0.00 C ATOM 338 CE1 TYR A 23 -0.026 -1.063 2.975 1.00 0.00 C ATOM 339 CE2 TYR A 23 0.828 0.576 4.545 1.00 0.00 C ATOM 340 CZ TYR A 23 -0.171 -0.323 4.155 1.00 0.00 C ATOM 341 OH TYR A 23 -1.299 -0.482 4.934 1.00 0.00 O ATOM 0 H TYR A 23 2.167 2.593 1.277 1.00 0.00 H new ATOM 0 HA TYR A 23 3.927 0.716 -0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.808 -0.815 1.543 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.107 0.743 2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.231 -1.472 1.277 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.745 1.429 4.060 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.796 -1.758 2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.716 1.146 5.455 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.241 0.104 5.717 1.00 0.00 H new ATOM 351 N LYS A 24 2.092 -0.510 -1.278 1.00 0.00 N ATOM 352 CA LYS A 24 0.997 -1.165 -2.030 1.00 0.00 C ATOM 353 C LYS A 24 1.463 -2.566 -2.387 1.00 0.00 C ATOM 354 O LYS A 24 1.930 -2.836 -3.477 1.00 0.00 O ATOM 355 CB LYS A 24 0.746 -0.350 -3.274 1.00 0.00 C ATOM 356 CG LYS A 24 2.076 -0.176 -3.978 1.00 0.00 C ATOM 357 CD LYS A 24 2.641 1.211 -3.661 1.00 0.00 C ATOM 358 CE LYS A 24 3.454 1.745 -4.845 1.00 0.00 C ATOM 359 NZ LYS A 24 2.826 1.324 -6.129 1.00 0.00 N ATOM 0 H LYS A 24 3.028 -0.711 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 24 0.075 -1.228 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.030 -0.853 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.318 0.619 -3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.775 -0.948 -3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.948 -0.292 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.826 1.898 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.272 1.159 -2.774 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.509 2.833 -4.797 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.477 1.372 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.076 2.002 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.171 0.378 -6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.792 1.297 -6.018 1.00 0.00 H new ATOM 373 N ASN A 25 1.387 -3.436 -1.438 1.00 0.00 N ATOM 374 CA ASN A 25 1.878 -4.830 -1.643 1.00 0.00 C ATOM 375 C ASN A 25 0.747 -5.859 -1.601 1.00 0.00 C ATOM 376 O ASN A 25 -0.398 -5.548 -1.342 1.00 0.00 O ATOM 377 CB ASN A 25 2.902 -5.163 -0.556 1.00 0.00 C ATOM 378 CG ASN A 25 2.730 -4.239 0.652 1.00 0.00 C ATOM 379 OD1 ASN A 25 2.924 -2.958 0.510 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 2.415 -4.688 1.736 1.00 0.00 N flip ATOM 0 H ASN A 25 1.002 -3.248 -0.512 1.00 0.00 H new ATOM 0 HA ASN A 25 2.330 -4.880 -2.634 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.785 -6.201 -0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.911 -5.062 -0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.263 -5.690 1.848 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.303 -4.063 2.534 1.00 0.00 H new ATOM 387 N ILE A 26 1.089 -7.095 -1.873 1.00 0.00 N ATOM 388 CA ILE A 26 0.083 -8.195 -1.884 1.00 0.00 C ATOM 389 C ILE A 26 -0.112 -8.765 -0.474 1.00 0.00 C ATOM 390 O ILE A 26 -1.160 -9.285 -0.145 1.00 0.00 O ATOM 391 CB ILE A 26 0.577 -9.303 -2.827 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.636 -10.183 -2.136 1.00 0.00 C ATOM 393 CG2 ILE A 26 1.191 -8.663 -4.072 1.00 0.00 C ATOM 394 CD1 ILE A 26 2.975 -9.440 -2.042 1.00 0.00 C ATOM 0 H ILE A 26 2.041 -7.390 -2.091 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.874 -7.804 -2.229 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.271 -9.931 -3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.295 -10.457 -1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.767 -11.110 -2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.544 -9.444 -4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.439 -8.059 -4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.029 -8.030 -3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.711 -10.077 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.323 -9.189 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.844 -8.525 -1.464 1.00 0.00 H new ATOM 406 N TRP A 27 0.888 -8.688 0.355 1.00 0.00 N ATOM 407 CA TRP A 27 0.757 -9.241 1.732 1.00 0.00 C ATOM 408 C TRP A 27 -0.481 -8.653 2.408 1.00 0.00 C ATOM 409 O TRP A 27 -0.526 -7.486 2.741 1.00 0.00 O ATOM 410 CB TRP A 27 2.002 -8.880 2.531 1.00 0.00 C ATOM 411 CG TRP A 27 3.200 -9.466 1.852 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.918 -8.860 0.877 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.824 -10.766 2.068 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.947 -9.703 0.488 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.928 -10.889 1.193 1.00 0.00 C ATOM 416 CE3 TRP A 27 3.541 -11.839 2.933 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.722 -12.035 1.174 1.00 0.00 C ATOM 418 CZ3 TRP A 27 4.338 -12.994 2.917 1.00 0.00 C ATOM 419 CH2 TRP A 27 5.427 -13.092 2.039 1.00 0.00 C ATOM 0 H TRP A 27 1.792 -8.266 0.140 1.00 0.00 H new ATOM 0 HA TRP A 27 0.653 -10.325 1.685 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.102 -7.797 2.604 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.921 -9.262 3.549 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.721 -7.880 0.469 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.634 -9.475 -0.231 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.705 -11.773 3.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.559 -12.105 0.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.111 -13.812 3.585 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.037 -13.983 2.031 1.00 0.00 H new ATOM 430 N THR A 28 -1.490 -9.455 2.607 1.00 0.00 N ATOM 431 CA THR A 28 -2.727 -8.945 3.255 1.00 0.00 C ATOM 432 C THR A 28 -3.511 -10.118 3.854 1.00 0.00 C ATOM 433 O THR A 28 -2.965 -11.174 4.108 1.00 0.00 O ATOM 434 CB THR A 28 -3.570 -8.219 2.205 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.511 -7.374 2.857 1.00 0.00 O ATOM 436 CG2 THR A 28 -4.303 -9.238 1.327 1.00 0.00 C ATOM 0 H THR A 28 -1.510 -10.441 2.348 1.00 0.00 H new ATOM 0 HA THR A 28 -2.474 -8.251 4.056 1.00 0.00 H new ATOM 0 HB THR A 28 -2.919 -7.615 1.573 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.417 -7.611 2.569 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.901 -8.713 0.582 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.575 -9.876 0.825 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.955 -9.852 1.949 1.00 0.00 H new ATOM 444 N PHE A 29 -4.784 -9.945 4.087 1.00 0.00 N ATOM 445 CA PHE A 29 -5.586 -11.056 4.674 1.00 0.00 C ATOM 446 C PHE A 29 -6.561 -11.602 3.626 1.00 0.00 C ATOM 447 O PHE A 29 -6.209 -12.438 2.818 1.00 0.00 O ATOM 448 CB PHE A 29 -6.367 -10.539 5.884 1.00 0.00 C ATOM 449 CG PHE A 29 -5.597 -10.847 7.147 1.00 0.00 C ATOM 450 CD1 PHE A 29 -4.211 -10.646 7.188 1.00 0.00 C ATOM 451 CD2 PHE A 29 -6.267 -11.332 8.276 1.00 0.00 C ATOM 452 CE1 PHE A 29 -3.498 -10.932 8.357 1.00 0.00 C ATOM 453 CE2 PHE A 29 -5.553 -11.618 9.445 1.00 0.00 C ATOM 454 CZ PHE A 29 -4.167 -11.418 9.487 1.00 0.00 C ATOM 0 H PHE A 29 -5.301 -9.087 3.897 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.916 -11.856 4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.527 -9.464 5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.351 -11.006 5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.693 -10.270 6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.336 -11.486 8.245 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.430 -10.778 8.388 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.071 -11.993 10.315 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.616 -11.638 10.389 1.00 0.00 H new ATOM 464 N ASP A 30 -7.784 -11.139 3.631 1.00 0.00 N ATOM 465 CA ASP A 30 -8.770 -11.640 2.632 1.00 0.00 C ATOM 466 C ASP A 30 -8.455 -11.036 1.264 1.00 0.00 C ATOM 467 O ASP A 30 -8.338 -11.735 0.278 1.00 0.00 O ATOM 468 CB ASP A 30 -10.183 -11.232 3.058 1.00 0.00 C ATOM 469 CG ASP A 30 -10.196 -9.749 3.428 1.00 0.00 C ATOM 470 OD1 ASP A 30 -10.403 -8.939 2.540 1.00 0.00 O ATOM 471 OD2 ASP A 30 -10.000 -9.448 4.593 1.00 0.00 O ATOM 0 H ASP A 30 -8.140 -10.439 4.281 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.710 -12.727 2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.887 -11.422 2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.506 -11.833 3.908 1.00 0.00 H new ATOM 476 N ASN A 31 -8.309 -9.742 1.200 1.00 0.00 N ATOM 477 CA ASN A 31 -7.993 -9.092 -0.101 1.00 0.00 C ATOM 478 C ASN A 31 -6.601 -9.534 -0.556 1.00 0.00 C ATOM 479 O ASN A 31 -6.076 -10.529 -0.096 1.00 0.00 O ATOM 480 CB ASN A 31 -8.018 -7.571 0.069 1.00 0.00 C ATOM 481 CG ASN A 31 -9.165 -6.984 -0.756 1.00 0.00 C ATOM 482 OD1 ASN A 31 -9.959 -6.213 -0.254 1.00 0.00 O ATOM 483 ND2 ASN A 31 -9.284 -7.316 -2.012 1.00 0.00 N ATOM 0 H ASN A 31 -8.395 -9.107 1.993 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.732 -9.383 -0.847 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.144 -7.314 1.121 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.069 -7.143 -0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.043 -6.928 -2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.618 -7.963 -2.434 1.00 0.00 H new ATOM 490 N ILE A 32 -5.996 -8.803 -1.450 1.00 0.00 N ATOM 491 CA ILE A 32 -4.637 -9.186 -1.926 1.00 0.00 C ATOM 492 C ILE A 32 -3.712 -7.969 -1.871 1.00 0.00 C ATOM 493 O ILE A 32 -2.784 -7.920 -1.090 1.00 0.00 O ATOM 494 CB ILE A 32 -4.723 -9.697 -3.364 1.00 0.00 C ATOM 495 CG1 ILE A 32 -6.012 -10.503 -3.544 1.00 0.00 C ATOM 496 CG2 ILE A 32 -3.518 -10.591 -3.661 1.00 0.00 C ATOM 497 CD1 ILE A 32 -6.101 -11.574 -2.455 1.00 0.00 C ATOM 0 H ILE A 32 -6.383 -7.958 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.239 -9.973 -1.285 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.725 -8.850 -4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.877 -9.842 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.027 -10.969 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.579 -10.955 -4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.600 -10.018 -3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.515 -11.438 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.019 -12.148 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.242 -12.241 -2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.105 -11.097 -1.475 1.00 0.00 H new ATOM 509 N ILE A 33 -3.955 -6.982 -2.691 1.00 0.00 N ATOM 510 CA ILE A 33 -3.078 -5.776 -2.669 1.00 0.00 C ATOM 511 C ILE A 33 -3.556 -4.819 -1.595 1.00 0.00 C ATOM 512 O ILE A 33 -4.731 -4.738 -1.303 1.00 0.00 O ATOM 513 CB ILE A 33 -3.136 -5.042 -4.007 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.417 -6.032 -5.129 1.00 0.00 C ATOM 515 CG2 ILE A 33 -1.804 -4.335 -4.258 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.408 -7.182 -5.074 1.00 0.00 C ATOM 0 H ILE A 33 -4.716 -6.958 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.058 -6.105 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.937 -4.303 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.431 -6.421 -5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.356 -5.529 -6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.845 -3.811 -5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.616 -3.618 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.000 -5.071 -4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.615 -7.887 -5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.399 -6.786 -5.188 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.491 -7.693 -4.115 1.00 0.00 H new ATOM 528 N ARG A 34 -2.668 -4.062 -1.028 1.00 0.00 N ATOM 529 CA ARG A 34 -3.105 -3.081 -0.004 1.00 0.00 C ATOM 530 C ARG A 34 -2.248 -1.823 -0.085 1.00 0.00 C ATOM 531 O ARG A 34 -1.053 -1.849 0.138 1.00 0.00 O ATOM 532 CB ARG A 34 -3.002 -3.670 1.393 1.00 0.00 C ATOM 533 CG ARG A 34 -3.653 -2.691 2.366 1.00 0.00 C ATOM 534 CD ARG A 34 -4.289 -3.452 3.531 1.00 0.00 C ATOM 535 NE ARG A 34 -3.407 -4.582 3.935 1.00 0.00 N ATOM 536 CZ ARG A 34 -3.754 -5.352 4.930 1.00 0.00 C ATOM 537 NH1 ARG A 34 -4.859 -6.045 4.865 1.00 0.00 N ATOM 538 NH2 ARG A 34 -3.000 -5.426 5.992 1.00 0.00 N ATOM 0 H ARG A 34 -1.667 -4.078 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.147 -2.829 -0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.500 -4.638 1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.959 -3.836 1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.907 -1.991 2.743 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.411 -2.102 1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.445 -2.780 4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.269 -3.830 3.239 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.534 -4.754 3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.451 -5.985 4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.130 -6.647 5.643 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.139 -4.882 6.045 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.272 -6.028 6.769 1.00 0.00 H new ATOM 552 N ARG A 35 -2.870 -0.721 -0.391 1.00 0.00 N ATOM 553 CA ARG A 35 -2.131 0.570 -0.488 1.00 0.00 C ATOM 554 C ARG A 35 -2.105 1.250 0.880 1.00 0.00 C ATOM 555 O ARG A 35 -3.051 1.181 1.639 1.00 0.00 O ATOM 556 CB ARG A 35 -2.814 1.478 -1.513 1.00 0.00 C ATOM 557 CG ARG A 35 -3.022 0.696 -2.813 1.00 0.00 C ATOM 558 CD ARG A 35 -4.016 1.436 -3.709 1.00 0.00 C ATOM 559 NE ARG A 35 -3.415 1.636 -5.058 1.00 0.00 N ATOM 560 CZ ARG A 35 -3.410 0.655 -5.921 1.00 0.00 C ATOM 561 NH1 ARG A 35 -2.887 -0.496 -5.597 1.00 0.00 N ATOM 562 NH2 ARG A 35 -3.927 0.826 -7.108 1.00 0.00 N ATOM 0 H ARG A 35 -3.870 -0.657 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.107 0.379 -0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.771 1.828 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.203 2.362 -1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.071 0.575 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.393 -0.304 -2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.941 0.866 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.273 2.399 -3.267 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.008 2.538 -5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.482 -0.630 -4.670 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.883 -1.262 -6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.335 1.726 -7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.923 0.060 -7.781 1.00 0.00 H new ATOM 576 N GLY A 36 -1.019 1.899 1.202 1.00 0.00 N ATOM 577 CA GLY A 36 -0.915 2.580 2.520 1.00 0.00 C ATOM 578 C GLY A 36 0.119 3.703 2.433 1.00 0.00 C ATOM 579 O GLY A 36 0.367 4.256 1.380 1.00 0.00 O ATOM 0 H GLY A 36 -0.197 1.986 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.885 2.985 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.626 1.864 3.290 1.00 0.00 H new ATOM 583 N CYS A 37 0.712 4.047 3.538 1.00 0.00 N ATOM 584 CA CYS A 37 1.723 5.140 3.538 1.00 0.00 C ATOM 585 C CYS A 37 3.032 4.642 4.158 1.00 0.00 C ATOM 586 O CYS A 37 3.081 4.282 5.317 1.00 0.00 O ATOM 587 CB CYS A 37 1.191 6.316 4.359 1.00 0.00 C ATOM 588 SG CYS A 37 0.223 5.699 5.763 1.00 0.00 S ATOM 0 H CYS A 37 0.540 3.617 4.447 1.00 0.00 H new ATOM 0 HA CYS A 37 1.911 5.457 2.512 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.020 6.926 4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.571 6.958 3.733 1.00 0.00 H new ATOM 593 N GLY A 38 4.091 4.608 3.393 1.00 0.00 N ATOM 594 CA GLY A 38 5.381 4.124 3.936 1.00 0.00 C ATOM 595 C GLY A 38 5.695 2.797 3.266 1.00 0.00 C ATOM 596 O GLY A 38 5.147 2.476 2.233 1.00 0.00 O ATOM 0 H GLY A 38 4.112 4.896 2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.173 4.847 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.319 4.001 5.017 1.00 0.00 H new ATOM 600 N CYS A 39 6.557 2.024 3.841 1.00 0.00 N ATOM 601 CA CYS A 39 6.880 0.709 3.229 1.00 0.00 C ATOM 602 C CYS A 39 6.239 -0.406 4.052 1.00 0.00 C ATOM 603 O CYS A 39 5.710 -0.187 5.123 1.00 0.00 O ATOM 604 CB CYS A 39 8.395 0.514 3.178 1.00 0.00 C ATOM 605 SG CYS A 39 9.126 1.831 2.173 1.00 0.00 S ATOM 0 H CYS A 39 7.054 2.240 4.706 1.00 0.00 H new ATOM 0 HA CYS A 39 6.488 0.679 2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.811 0.534 4.185 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.635 -0.461 2.753 1.00 0.00 H new ATOM 610 N PHE A 40 6.278 -1.601 3.542 1.00 0.00 N ATOM 611 CA PHE A 40 5.666 -2.755 4.266 1.00 0.00 C ATOM 612 C PHE A 40 6.429 -2.997 5.569 1.00 0.00 C ATOM 613 O PHE A 40 7.360 -2.290 5.898 1.00 0.00 O ATOM 614 CB PHE A 40 5.727 -4.021 3.396 1.00 0.00 C ATOM 615 CG PHE A 40 6.826 -3.873 2.376 1.00 0.00 C ATOM 616 CD1 PHE A 40 8.137 -4.218 2.703 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.529 -3.347 1.117 1.00 0.00 C ATOM 618 CE1 PHE A 40 9.160 -4.043 1.760 1.00 0.00 C ATOM 619 CE2 PHE A 40 7.547 -3.165 0.176 1.00 0.00 C ATOM 620 CZ PHE A 40 8.865 -3.513 0.495 1.00 0.00 C ATOM 0 H PHE A 40 6.710 -1.834 2.648 1.00 0.00 H new ATOM 0 HA PHE A 40 4.623 -2.525 4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.910 -4.896 4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.771 -4.179 2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.364 -4.619 3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.512 -3.081 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.175 -4.316 2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.317 -2.756 -0.797 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.653 -3.374 -0.231 1.00 0.00 H new ATOM 630 N THR A 41 6.015 -3.970 6.327 1.00 0.00 N ATOM 631 CA THR A 41 6.687 -4.234 7.636 1.00 0.00 C ATOM 632 C THR A 41 7.863 -5.218 7.507 1.00 0.00 C ATOM 633 O THR A 41 8.923 -4.963 8.041 1.00 0.00 O ATOM 634 CB THR A 41 5.673 -4.787 8.641 1.00 0.00 C ATOM 635 OG1 THR A 41 4.420 -4.144 8.452 1.00 0.00 O ATOM 636 CG2 THR A 41 6.179 -4.519 10.059 1.00 0.00 C ATOM 0 H THR A 41 5.242 -4.596 6.101 1.00 0.00 H new ATOM 0 HA THR A 41 7.088 -3.283 7.986 1.00 0.00 H new ATOM 0 HB THR A 41 5.552 -5.860 8.491 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.770 -4.499 9.094 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.462 -4.910 10.781 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.142 -5.010 10.201 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.294 -3.445 10.207 1.00 0.00 H new ATOM 644 N PRO A 42 7.651 -6.327 6.842 1.00 0.00 N ATOM 645 CA PRO A 42 8.688 -7.354 6.693 1.00 0.00 C ATOM 646 C PRO A 42 9.605 -7.013 5.521 1.00 0.00 C ATOM 647 O PRO A 42 9.927 -7.854 4.704 1.00 0.00 O ATOM 648 CB PRO A 42 7.884 -8.630 6.425 1.00 0.00 C ATOM 649 CG PRO A 42 6.507 -8.176 5.879 1.00 0.00 C ATOM 650 CD PRO A 42 6.384 -6.668 6.174 1.00 0.00 C ATOM 0 HA PRO A 42 9.340 -7.447 7.562 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.396 -9.267 5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.766 -9.213 7.338 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.434 -8.367 4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.700 -8.730 6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.249 -6.093 5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.527 -6.456 6.813 1.00 0.00 H new ATOM 658 N ARG A 43 10.032 -5.783 5.433 1.00 0.00 N ATOM 659 CA ARG A 43 10.931 -5.393 4.314 1.00 0.00 C ATOM 660 C ARG A 43 12.135 -6.332 4.295 1.00 0.00 C ATOM 661 O ARG A 43 12.738 -6.606 5.312 1.00 0.00 O ATOM 662 CB ARG A 43 11.380 -3.931 4.505 1.00 0.00 C ATOM 663 CG ARG A 43 12.830 -3.720 4.040 1.00 0.00 C ATOM 664 CD ARG A 43 12.906 -3.847 2.516 1.00 0.00 C ATOM 665 NE ARG A 43 14.332 -3.802 2.086 1.00 0.00 N ATOM 666 CZ ARG A 43 15.153 -2.950 2.637 1.00 0.00 C ATOM 667 NH1 ARG A 43 15.725 -3.235 3.776 1.00 0.00 N ATOM 668 NH2 ARG A 43 15.404 -1.812 2.049 1.00 0.00 N ATOM 0 H ARG A 43 9.798 -5.035 6.086 1.00 0.00 H new ATOM 0 HA ARG A 43 10.407 -5.472 3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.718 -3.270 3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.291 -3.656 5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.182 -2.736 4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.483 -4.456 4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.447 -4.782 2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.347 -3.039 2.044 1.00 0.00 H new ATOM 0 HE ARG A 43 14.666 -4.437 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.530 -4.124 4.236 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.366 -2.568 4.205 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.959 -1.589 1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.046 -1.146 2.480 1.00 0.00 H new ATOM 682 N GLY A 44 12.491 -6.823 3.144 1.00 0.00 N ATOM 683 CA GLY A 44 13.652 -7.736 3.067 1.00 0.00 C ATOM 684 C GLY A 44 13.747 -8.328 1.662 1.00 0.00 C ATOM 685 O GLY A 44 13.035 -7.931 0.761 1.00 0.00 O ATOM 0 H GLY A 44 12.027 -6.630 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.568 -7.197 3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.549 -8.534 3.802 1.00 0.00 H new ATOM 689 N ASP A 45 14.627 -9.270 1.464 1.00 0.00 N ATOM 690 CA ASP A 45 14.771 -9.881 0.115 1.00 0.00 C ATOM 691 C ASP A 45 13.899 -11.136 0.013 1.00 0.00 C ATOM 692 O ASP A 45 13.886 -11.806 -0.999 1.00 0.00 O ATOM 693 CB ASP A 45 16.235 -10.256 -0.119 1.00 0.00 C ATOM 694 CG ASP A 45 17.115 -9.017 0.059 1.00 0.00 C ATOM 695 OD1 ASP A 45 17.106 -8.459 1.144 1.00 0.00 O ATOM 696 OD2 ASP A 45 17.781 -8.647 -0.894 1.00 0.00 O ATOM 0 H ASP A 45 15.252 -9.642 2.179 1.00 0.00 H new ATOM 0 HA ASP A 45 14.451 -9.163 -0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.538 -11.034 0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.361 -10.663 -1.122 1.00 0.00 H new ATOM 701 N MET A 46 13.170 -11.466 1.047 1.00 0.00 N ATOM 702 CA MET A 46 12.313 -12.684 0.980 1.00 0.00 C ATOM 703 C MET A 46 10.990 -12.350 0.279 1.00 0.00 C ATOM 704 O MET A 46 10.649 -12.967 -0.710 1.00 0.00 O ATOM 705 CB MET A 46 12.045 -13.224 2.389 1.00 0.00 C ATOM 706 CG MET A 46 12.609 -14.640 2.510 1.00 0.00 C ATOM 707 SD MET A 46 11.286 -15.842 2.229 1.00 0.00 S ATOM 708 CE MET A 46 10.646 -15.886 3.923 1.00 0.00 C ATOM 0 H MET A 46 13.131 -10.950 1.926 1.00 0.00 H new ATOM 0 HA MET A 46 12.834 -13.452 0.409 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.505 -12.573 3.133 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.974 -13.230 2.590 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.409 -14.788 1.785 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.044 -14.786 3.499 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.807 -16.580 3.977 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.433 -16.215 4.601 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.312 -14.889 4.212 1.00 0.00 H new ATOM 718 N PRO A 47 10.285 -11.377 0.801 1.00 0.00 N ATOM 719 CA PRO A 47 9.007 -10.940 0.234 1.00 0.00 C ATOM 720 C PRO A 47 9.276 -9.928 -0.879 1.00 0.00 C ATOM 721 O PRO A 47 10.355 -9.378 -0.980 1.00 0.00 O ATOM 722 CB PRO A 47 8.304 -10.275 1.420 1.00 0.00 C ATOM 723 CG PRO A 47 9.418 -9.850 2.405 1.00 0.00 C ATOM 724 CD PRO A 47 10.687 -10.622 2.001 1.00 0.00 C ATOM 0 HA PRO A 47 8.414 -11.744 -0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.724 -9.412 1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.608 -10.965 1.896 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.588 -8.774 2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.135 -10.082 3.432 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.514 -9.945 1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.019 -11.288 2.798 1.00 0.00 H new ATOM 732 N GLY A 48 8.311 -9.668 -1.713 1.00 0.00 N ATOM 733 CA GLY A 48 8.532 -8.689 -2.802 1.00 0.00 C ATOM 734 C GLY A 48 7.340 -7.734 -2.888 1.00 0.00 C ATOM 735 O GLY A 48 6.701 -7.641 -3.916 1.00 0.00 O ATOM 0 H GLY A 48 7.383 -10.091 -1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.448 -8.127 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.662 -9.209 -3.751 1.00 0.00 H new ATOM 739 N PRO A 49 7.075 -7.051 -1.804 1.00 0.00 N ATOM 740 CA PRO A 49 5.963 -6.095 -1.733 1.00 0.00 C ATOM 741 C PRO A 49 6.373 -4.773 -2.403 1.00 0.00 C ATOM 742 O PRO A 49 7.367 -4.716 -3.098 1.00 0.00 O ATOM 743 CB PRO A 49 5.741 -5.927 -0.231 1.00 0.00 C ATOM 744 CG PRO A 49 7.066 -6.314 0.459 1.00 0.00 C ATOM 745 CD PRO A 49 7.850 -7.166 -0.549 1.00 0.00 C ATOM 0 HA PRO A 49 5.059 -6.423 -2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.466 -4.899 0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.925 -6.563 0.113 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.632 -5.425 0.739 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.877 -6.873 1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.868 -6.797 -0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.925 -8.203 -0.221 1.00 0.00 H new ATOM 753 N TYR A 50 5.617 -3.715 -2.235 1.00 0.00 N ATOM 754 CA TYR A 50 5.994 -2.440 -2.908 1.00 0.00 C ATOM 755 C TYR A 50 5.974 -1.243 -1.946 1.00 0.00 C ATOM 756 O TYR A 50 5.261 -1.210 -0.963 1.00 0.00 O ATOM 757 CB TYR A 50 5.017 -2.173 -4.053 1.00 0.00 C ATOM 758 CG TYR A 50 5.477 -2.903 -5.290 1.00 0.00 C ATOM 759 CD1 TYR A 50 6.687 -2.552 -5.902 1.00 0.00 C ATOM 760 CD2 TYR A 50 4.695 -3.932 -5.826 1.00 0.00 C ATOM 761 CE1 TYR A 50 7.113 -3.231 -7.050 1.00 0.00 C ATOM 762 CE2 TYR A 50 5.120 -4.611 -6.973 1.00 0.00 C ATOM 763 CZ TYR A 50 6.330 -4.260 -7.585 1.00 0.00 C ATOM 764 OH TYR A 50 6.748 -4.928 -8.717 1.00 0.00 O ATOM 0 H TYR A 50 4.769 -3.681 -1.670 1.00 0.00 H new ATOM 0 HA TYR A 50 7.013 -2.551 -3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.016 -2.503 -3.775 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.957 -1.103 -4.251 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.291 -1.758 -5.489 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.762 -4.202 -5.354 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.046 -2.961 -7.523 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.516 -5.405 -7.386 1.00 0.00 H new ATOM 0 HH TYR A 50 6.089 -5.613 -8.955 1.00 0.00 H new ATOM 774 N CYS A 51 6.745 -0.247 -2.285 1.00 0.00 N ATOM 775 CA CYS A 51 6.826 1.022 -1.500 1.00 0.00 C ATOM 776 C CYS A 51 7.149 2.106 -2.517 1.00 0.00 C ATOM 777 O CYS A 51 8.004 1.939 -3.364 1.00 0.00 O ATOM 778 CB CYS A 51 7.961 0.964 -0.483 1.00 0.00 C ATOM 779 SG CYS A 51 7.712 2.234 0.784 1.00 0.00 S ATOM 0 H CYS A 51 7.347 -0.261 -3.108 1.00 0.00 H new ATOM 0 HA CYS A 51 5.898 1.202 -0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.998 -0.022 -0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.918 1.118 -0.982 1.00 0.00 H new ATOM 784 N CYS A 52 6.484 3.202 -2.455 1.00 0.00 N ATOM 785 CA CYS A 52 6.766 4.285 -3.438 1.00 0.00 C ATOM 786 C CYS A 52 6.966 5.579 -2.687 1.00 0.00 C ATOM 787 O CYS A 52 6.575 5.701 -1.553 1.00 0.00 O ATOM 788 CB CYS A 52 5.599 4.428 -4.413 1.00 0.00 C ATOM 789 SG CYS A 52 5.927 5.759 -5.595 1.00 0.00 S ATOM 0 H CYS A 52 5.755 3.408 -1.772 1.00 0.00 H new ATOM 0 HA CYS A 52 7.664 4.040 -4.006 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.444 3.490 -4.945 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.681 4.638 -3.864 1.00 0.00 H new ATOM 794 N GLU A 53 7.575 6.537 -3.310 1.00 0.00 N ATOM 795 CA GLU A 53 7.812 7.834 -2.620 1.00 0.00 C ATOM 796 C GLU A 53 7.098 8.960 -3.362 1.00 0.00 C ATOM 797 O GLU A 53 7.673 9.982 -3.676 1.00 0.00 O ATOM 798 CB GLU A 53 9.310 8.112 -2.556 1.00 0.00 C ATOM 799 CG GLU A 53 10.047 6.808 -2.253 1.00 0.00 C ATOM 800 CD GLU A 53 11.555 7.033 -2.373 1.00 0.00 C ATOM 801 OE1 GLU A 53 11.965 7.674 -3.327 1.00 0.00 O ATOM 802 OE2 GLU A 53 12.276 6.562 -1.509 1.00 0.00 O ATOM 0 H GLU A 53 7.921 6.483 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 53 7.415 7.780 -1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.656 8.529 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.523 8.852 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.799 6.463 -1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.729 6.029 -2.946 1.00 0.00 H new ATOM 809 N SER A 54 5.838 8.776 -3.623 1.00 0.00 N ATOM 810 CA SER A 54 5.048 9.822 -4.323 1.00 0.00 C ATOM 811 C SER A 54 3.645 9.824 -3.723 1.00 0.00 C ATOM 812 O SER A 54 3.177 8.814 -3.239 1.00 0.00 O ATOM 813 CB SER A 54 4.972 9.499 -5.815 1.00 0.00 C ATOM 814 OG SER A 54 5.886 8.453 -6.113 1.00 0.00 O ATOM 0 H SER A 54 5.315 7.935 -3.378 1.00 0.00 H new ATOM 0 HA SER A 54 5.516 10.799 -4.203 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.959 9.200 -6.084 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.210 10.385 -6.404 1.00 0.00 H new ATOM 0 HG SER A 54 5.440 7.587 -6.004 1.00 0.00 H new ATOM 820 N ASP A 55 2.967 10.933 -3.731 1.00 0.00 N ATOM 821 CA ASP A 55 1.607 10.937 -3.135 1.00 0.00 C ATOM 822 C ASP A 55 0.675 10.114 -4.020 1.00 0.00 C ATOM 823 O ASP A 55 0.833 10.056 -5.224 1.00 0.00 O ATOM 824 CB ASP A 55 1.074 12.363 -3.022 1.00 0.00 C ATOM 825 CG ASP A 55 2.177 13.298 -2.524 1.00 0.00 C ATOM 826 OD1 ASP A 55 3.266 13.250 -3.074 1.00 0.00 O ATOM 827 OD2 ASP A 55 1.907 14.050 -1.600 1.00 0.00 O ATOM 0 H ASP A 55 3.287 11.821 -4.116 1.00 0.00 H new ATOM 0 HA ASP A 55 1.655 10.505 -2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.710 12.701 -3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.227 12.390 -2.337 1.00 0.00 H new ATOM 832 N LYS A 56 -0.286 9.466 -3.429 1.00 0.00 N ATOM 833 CA LYS A 56 -1.224 8.627 -4.228 1.00 0.00 C ATOM 834 C LYS A 56 -0.415 7.819 -5.243 1.00 0.00 C ATOM 835 O LYS A 56 -0.840 7.592 -6.359 1.00 0.00 O ATOM 836 CB LYS A 56 -2.224 9.527 -4.960 1.00 0.00 C ATOM 837 CG LYS A 56 -2.750 10.597 -3.999 1.00 0.00 C ATOM 838 CD LYS A 56 -4.182 10.255 -3.584 1.00 0.00 C ATOM 839 CE LYS A 56 -5.073 11.488 -3.755 1.00 0.00 C ATOM 840 NZ LYS A 56 -5.866 11.358 -5.011 1.00 0.00 N ATOM 0 H LYS A 56 -0.465 9.480 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.772 7.952 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.744 9.998 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.051 8.931 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.110 10.656 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.723 11.576 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.561 9.433 -4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.201 9.921 -2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.741 11.589 -2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.462 12.390 -3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.471 12.196 -5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.220 11.282 -5.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.460 10.506 -4.960 1.00 0.00 H new ATOM 854 N CYS A 57 0.759 7.393 -4.861 1.00 0.00 N ATOM 855 CA CYS A 57 1.619 6.610 -5.791 1.00 0.00 C ATOM 856 C CYS A 57 1.164 5.147 -5.829 1.00 0.00 C ATOM 857 O CYS A 57 1.448 4.426 -6.763 1.00 0.00 O ATOM 858 CB CYS A 57 3.067 6.678 -5.303 1.00 0.00 C ATOM 859 SG CYS A 57 4.172 5.999 -6.566 1.00 0.00 S ATOM 0 H CYS A 57 1.161 7.556 -3.938 1.00 0.00 H new ATOM 0 HA CYS A 57 1.540 7.030 -6.794 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.339 7.711 -5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.174 6.118 -4.374 1.00 0.00 H new ATOM 864 N ASN A 58 0.455 4.701 -4.828 1.00 0.00 N ATOM 865 CA ASN A 58 -0.007 3.288 -4.819 1.00 0.00 C ATOM 866 C ASN A 58 -0.848 3.015 -6.063 1.00 0.00 C ATOM 867 O ASN A 58 -1.124 1.881 -6.400 1.00 0.00 O ATOM 868 CB ASN A 58 -0.864 3.033 -3.579 1.00 0.00 C ATOM 869 CG ASN A 58 -0.376 3.888 -2.406 1.00 0.00 C ATOM 870 OD1 ASN A 58 -0.221 5.087 -2.529 1.00 0.00 O ATOM 871 ND2 ASN A 58 -0.106 3.314 -1.275 1.00 0.00 N ATOM 0 H ASN A 58 0.177 5.255 -4.018 1.00 0.00 H new ATOM 0 HA ASN A 58 0.863 2.631 -4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.907 3.264 -3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.821 1.978 -3.310 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.236 3.869 -0.490 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.236 2.308 -1.170 1.00 0.00 H new ATOM 878 N LEU A 59 -1.268 4.043 -6.744 1.00 0.00 N ATOM 879 CA LEU A 59 -2.101 3.834 -7.956 1.00 0.00 C ATOM 880 C LEU A 59 -1.204 3.474 -9.142 1.00 0.00 C ATOM 881 O LEU A 59 -1.043 2.293 -9.401 1.00 0.00 O ATOM 882 CB LEU A 59 -2.875 5.117 -8.268 1.00 0.00 C ATOM 883 CG LEU A 59 -4.336 4.774 -8.562 1.00 0.00 C ATOM 884 CD1 LEU A 59 -4.408 3.830 -9.762 1.00 0.00 C ATOM 885 CD2 LEU A 59 -4.955 4.092 -7.340 1.00 0.00 C ATOM 886 OXT LEU A 59 -0.695 4.386 -9.774 1.00 0.00 O ATOM 0 H LEU A 59 -1.070 5.017 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.803 3.020 -7.777 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.815 5.805 -7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.430 5.623 -9.125 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.885 5.689 -8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.450 3.586 -9.971 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.967 4.315 -10.633 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.859 2.915 -9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.996 3.847 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.405 3.178 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.905 4.765 -6.484 1.00 0.00 H new