USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 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 55 GLN : amide:sc= -8.47! C(o=-8.1!,f=-6.1!) USER MOD Set 1.2: A 56 SER OG : rot 90:sc= 0.33 USER MOD Single : A 1 ALA N :NH3+ -168:sc= -0.064 (180deg=-0.219) USER MOD Single : A 9 THR OG1 : rot -30:sc= 0.787 USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= 0.6 (180deg=0.226) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -3! C(o=-3!,f=-4.6!) USER MOD Single : A 48 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.5!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.4 K(o=-2.4,f=-7.2!) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= 0.058 (180deg=-0.814) USER MOD Single : A 63 SER OG : rot -171:sc= -0.879 USER MOD Single : A 75 SER OG : rot -67:sc= 1.25 USER MOD Single : A 92 SER OG : rot 12:sc= -2.22! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.125 1.193 -7.316 1.00 0.00 N ATOM 2 CA ALA A 1 -8.794 0.823 -6.767 1.00 0.00 C ATOM 3 C ALA A 1 -7.744 1.871 -7.121 1.00 0.00 C ATOM 4 O ALA A 1 -6.769 2.057 -6.394 1.00 0.00 O ATOM 5 CB ALA A 1 -8.371 -0.545 -7.283 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.855 0.582 -6.897 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.331 2.186 -7.087 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.121 1.070 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.876 0.780 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.395 -0.803 -6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.103 -1.292 -6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.312 -0.521 -8.371 1.00 0.00 H new ATOM 13 N VAL A 2 -7.946 2.553 -8.241 1.00 0.00 N ATOM 14 CA VAL A 2 -7.015 3.580 -8.688 1.00 0.00 C ATOM 15 C VAL A 2 -7.018 4.776 -7.737 1.00 0.00 C ATOM 16 O VAL A 2 -7.617 4.725 -6.663 1.00 0.00 O ATOM 17 CB VAL A 2 -7.358 4.061 -10.112 1.00 0.00 C ATOM 18 CG1 VAL A 2 -7.035 2.980 -11.132 1.00 0.00 C ATOM 19 CG2 VAL A 2 -8.822 4.466 -10.200 1.00 0.00 C ATOM 0 H VAL A 2 -8.747 2.413 -8.857 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.021 3.132 -8.694 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.748 4.936 -10.338 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.283 3.337 -12.131 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.972 2.742 -11.086 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.617 2.086 -10.911 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.046 4.803 -11.212 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.452 3.611 -9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.019 5.275 -9.497 1.00 0.00 H new ATOM 29 N LEU A 3 -6.324 5.840 -8.128 1.00 0.00 N ATOM 30 CA LEU A 3 -6.219 7.026 -7.323 1.00 0.00 C ATOM 31 C LEU A 3 -7.509 7.803 -7.260 1.00 0.00 C ATOM 32 O LEU A 3 -8.381 7.680 -8.120 1.00 0.00 O ATOM 33 CB LEU A 3 -5.144 7.948 -7.900 1.00 0.00 C ATOM 34 CG LEU A 3 -3.788 7.871 -7.213 1.00 0.00 C ATOM 35 CD1 LEU A 3 -3.972 7.408 -5.787 1.00 0.00 C ATOM 36 CD2 LEU A 3 -2.856 6.934 -7.966 1.00 0.00 C ATOM 0 H LEU A 3 -5.822 5.893 -9.015 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.965 6.696 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.013 7.711 -8.956 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.503 8.976 -7.847 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.334 8.862 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.001 7.353 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.609 8.114 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.438 6.423 -5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.892 6.894 -7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.292 5.935 -7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.715 7.301 -8.983 1.00 0.00 H new ATOM 48 N ASP A 4 -7.594 8.635 -6.237 1.00 0.00 N ATOM 49 CA ASP A 4 -8.734 9.473 -6.047 1.00 0.00 C ATOM 50 C ASP A 4 -8.606 10.693 -6.965 1.00 0.00 C ATOM 51 O ASP A 4 -8.426 10.542 -8.173 1.00 0.00 O ATOM 52 CB ASP A 4 -8.856 9.875 -4.573 1.00 0.00 C ATOM 53 CG ASP A 4 -10.245 10.371 -4.222 1.00 0.00 C ATOM 54 OD1 ASP A 4 -11.216 9.620 -4.448 1.00 0.00 O ATOM 55 OD2 ASP A 4 -10.361 11.510 -3.726 1.00 0.00 O ATOM 0 H ASP A 4 -6.871 8.739 -5.525 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.646 8.937 -6.308 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.609 9.019 -3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.128 10.655 -4.350 1.00 0.00 H new ATOM 60 N LEU A 5 -8.677 11.892 -6.401 1.00 0.00 N ATOM 61 CA LEU A 5 -8.543 13.106 -7.175 1.00 0.00 C ATOM 62 C LEU A 5 -7.100 13.606 -7.138 1.00 0.00 C ATOM 63 O LEU A 5 -6.162 12.815 -7.239 1.00 0.00 O ATOM 64 CB LEU A 5 -9.532 14.170 -6.664 1.00 0.00 C ATOM 65 CG LEU A 5 -9.319 14.718 -5.231 1.00 0.00 C ATOM 66 CD1 LEU A 5 -8.352 13.874 -4.411 1.00 0.00 C ATOM 67 CD2 LEU A 5 -8.905 16.187 -5.268 1.00 0.00 C ATOM 0 H LEU A 5 -8.828 12.043 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.788 12.897 -8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.504 15.013 -7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.536 13.748 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.278 14.650 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.243 14.308 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.739 12.859 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.381 13.851 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.761 16.550 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.973 16.289 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.685 16.773 -5.755 1.00 0.00 H new ATOM 79 N ASP A 6 -6.919 14.912 -6.964 1.00 0.00 N ATOM 80 CA ASP A 6 -5.597 15.478 -6.882 1.00 0.00 C ATOM 81 C ASP A 6 -4.998 15.129 -5.534 1.00 0.00 C ATOM 82 O ASP A 6 -3.821 14.781 -5.433 1.00 0.00 O ATOM 83 CB ASP A 6 -5.636 16.995 -7.084 1.00 0.00 C ATOM 84 CG ASP A 6 -4.896 17.427 -8.334 1.00 0.00 C ATOM 85 OD1 ASP A 6 -3.761 16.949 -8.546 1.00 0.00 O ATOM 86 OD2 ASP A 6 -5.451 18.240 -9.102 1.00 0.00 O ATOM 0 H ASP A 6 -7.677 15.589 -6.878 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.976 15.062 -7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.673 17.325 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.197 17.487 -6.216 1.00 0.00 H new ATOM 91 N VAL A 7 -5.831 15.186 -4.503 1.00 0.00 N ATOM 92 CA VAL A 7 -5.396 14.832 -3.169 1.00 0.00 C ATOM 93 C VAL A 7 -5.731 13.376 -2.864 1.00 0.00 C ATOM 94 O VAL A 7 -6.784 13.062 -2.310 1.00 0.00 O ATOM 95 CB VAL A 7 -5.962 15.753 -2.065 1.00 0.00 C ATOM 96 CG1 VAL A 7 -5.373 17.145 -2.199 1.00 0.00 C ATOM 97 CG2 VAL A 7 -7.480 15.825 -2.087 1.00 0.00 C ATOM 0 H VAL A 7 -6.807 15.474 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.315 14.971 -3.160 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.675 15.321 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.777 17.788 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.289 17.092 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.629 17.556 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.825 16.485 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.812 16.213 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.894 14.828 -1.936 1.00 0.00 H new ATOM 107 N ARG A 8 -4.834 12.492 -3.269 1.00 0.00 N ATOM 108 CA ARG A 8 -4.994 11.077 -3.098 1.00 0.00 C ATOM 109 C ARG A 8 -4.785 10.642 -1.650 1.00 0.00 C ATOM 110 O ARG A 8 -4.809 11.459 -0.729 1.00 0.00 O ATOM 111 CB ARG A 8 -3.985 10.393 -4.012 1.00 0.00 C ATOM 112 CG ARG A 8 -4.109 10.811 -5.458 1.00 0.00 C ATOM 113 CD ARG A 8 -2.754 10.815 -6.126 1.00 0.00 C ATOM 114 NE ARG A 8 -2.847 11.094 -7.558 1.00 0.00 N ATOM 115 CZ ARG A 8 -1.969 10.662 -8.462 1.00 0.00 C ATOM 116 NH1 ARG A 8 -0.907 9.958 -8.087 1.00 0.00 N ATOM 117 NH2 ARG A 8 -2.151 10.938 -9.746 1.00 0.00 N ATOM 0 H ARG A 8 -3.963 12.753 -3.732 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.015 10.794 -3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.978 10.617 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.115 9.313 -3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.778 10.130 -5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.554 11.804 -5.519 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.119 11.563 -5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.274 9.848 -5.976 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.634 11.655 -7.886 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.759 9.744 -7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.239 9.631 -8.785 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.963 11.481 -10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.479 10.608 -10.439 1.00 0.00 H new ATOM 131 N THR A 9 -4.572 9.343 -1.472 1.00 0.00 N ATOM 132 CA THR A 9 -4.346 8.746 -0.176 1.00 0.00 C ATOM 133 C THR A 9 -5.270 9.309 0.908 1.00 0.00 C ATOM 134 O THR A 9 -4.912 10.229 1.641 1.00 0.00 O ATOM 135 CB THR A 9 -2.875 8.871 0.205 1.00 0.00 C ATOM 136 OG1 THR A 9 -2.662 9.862 1.195 1.00 0.00 O ATOM 137 CG2 THR A 9 -1.972 9.181 -0.967 1.00 0.00 C ATOM 0 H THR A 9 -4.553 8.672 -2.240 1.00 0.00 H new ATOM 0 HA THR A 9 -4.597 7.688 -0.250 1.00 0.00 H new ATOM 0 HB THR A 9 -2.615 7.887 0.596 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.336 10.568 1.102 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.941 9.256 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.050 8.385 -1.707 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.273 10.126 -1.418 1.00 0.00 H new ATOM 145 N CYS A 10 -6.464 8.725 1.004 1.00 0.00 N ATOM 146 CA CYS A 10 -7.454 9.133 1.994 1.00 0.00 C ATOM 147 C CYS A 10 -7.103 8.563 3.369 1.00 0.00 C ATOM 148 O CYS A 10 -7.184 9.260 4.380 1.00 0.00 O ATOM 149 CB CYS A 10 -8.845 8.647 1.573 1.00 0.00 C ATOM 150 SG CYS A 10 -9.711 9.753 0.405 1.00 0.00 S ATOM 0 H CYS A 10 -6.769 7.961 0.401 1.00 0.00 H new ATOM 0 HA CYS A 10 -7.455 10.221 2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.749 7.661 1.118 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.460 8.528 2.465 1.00 0.00 H new ATOM 155 N LEU A 11 -6.712 7.287 3.395 1.00 0.00 N ATOM 156 CA LEU A 11 -6.346 6.616 4.645 1.00 0.00 C ATOM 157 C LEU A 11 -4.881 6.160 4.612 1.00 0.00 C ATOM 158 O LEU A 11 -4.559 5.055 4.148 1.00 0.00 O ATOM 159 CB LEU A 11 -7.271 5.421 4.902 1.00 0.00 C ATOM 160 CG LEU A 11 -8.229 5.579 6.085 1.00 0.00 C ATOM 161 CD1 LEU A 11 -9.339 6.566 5.749 1.00 0.00 C ATOM 162 CD2 LEU A 11 -8.811 4.229 6.478 1.00 0.00 C ATOM 0 H LEU A 11 -6.641 6.698 2.566 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.463 7.330 5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.858 5.237 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.657 4.536 5.069 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.669 5.974 6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.009 6.664 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.904 7.538 5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.900 6.204 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.490 4.357 7.321 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.356 3.808 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.004 3.554 6.762 1.00 0.00 H new ATOM 174 N PRO A 12 -3.964 7.017 5.100 1.00 0.00 N ATOM 175 CA PRO A 12 -2.535 6.710 5.121 1.00 0.00 C ATOM 176 C PRO A 12 -2.193 5.509 5.990 1.00 0.00 C ATOM 177 O PRO A 12 -3.071 4.825 6.520 1.00 0.00 O ATOM 178 CB PRO A 12 -1.878 7.962 5.709 1.00 0.00 C ATOM 179 CG PRO A 12 -2.911 9.033 5.680 1.00 0.00 C ATOM 180 CD PRO A 12 -4.253 8.351 5.655 1.00 0.00 C ATOM 0 HA PRO A 12 -2.190 6.456 4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.537 7.779 6.728 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.003 8.251 5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.822 9.678 6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.784 9.667 4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.685 8.283 6.653 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.966 8.895 5.036 1.00 0.00 H new ATOM 188 N CYS A 13 -0.893 5.287 6.141 1.00 0.00 N ATOM 189 CA CYS A 13 -0.377 4.199 6.930 1.00 0.00 C ATOM 190 C CYS A 13 1.040 4.507 7.388 1.00 0.00 C ATOM 191 O CYS A 13 1.568 5.586 7.117 1.00 0.00 O ATOM 192 CB CYS A 13 -0.388 2.915 6.113 1.00 0.00 C ATOM 193 SG CYS A 13 -0.568 1.393 7.089 1.00 0.00 S ATOM 0 H CYS A 13 -0.171 5.866 5.713 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.011 4.071 7.807 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.204 2.966 5.392 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.539 2.856 5.542 1.00 0.00 H new ATOM 198 N GLY A 14 1.665 3.548 8.053 1.00 0.00 N ATOM 199 CA GLY A 14 3.022 3.738 8.498 1.00 0.00 C ATOM 200 C GLY A 14 3.193 4.907 9.442 1.00 0.00 C ATOM 201 O GLY A 14 2.392 5.117 10.352 1.00 0.00 O ATOM 0 H GLY A 14 1.255 2.645 8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.363 2.829 8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.663 3.887 7.629 1.00 0.00 H new ATOM 205 N PRO A 15 4.275 5.660 9.247 1.00 0.00 N ATOM 206 CA PRO A 15 4.638 6.807 10.069 1.00 0.00 C ATOM 207 C PRO A 15 4.051 8.119 9.548 1.00 0.00 C ATOM 208 O PRO A 15 4.576 8.714 8.607 1.00 0.00 O ATOM 209 CB PRO A 15 6.154 6.779 9.914 1.00 0.00 C ATOM 210 CG PRO A 15 6.340 6.436 8.485 1.00 0.00 C ATOM 211 CD PRO A 15 5.278 5.412 8.200 1.00 0.00 C ATOM 0 HA PRO A 15 4.270 6.753 11.094 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.602 7.742 10.159 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.612 6.038 10.569 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.226 7.313 7.849 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.337 6.036 8.300 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.857 5.537 7.202 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.673 4.398 8.254 1.00 0.00 H new ATOM 219 N GLY A 16 2.956 8.563 10.165 1.00 0.00 N ATOM 220 CA GLY A 16 2.311 9.798 9.748 1.00 0.00 C ATOM 221 C GLY A 16 1.307 9.571 8.635 1.00 0.00 C ATOM 222 O GLY A 16 0.099 9.677 8.843 1.00 0.00 O ATOM 0 H GLY A 16 2.504 8.088 10.947 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.808 10.250 10.603 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.068 10.507 9.413 1.00 0.00 H new ATOM 226 N GLY A 17 1.814 9.231 7.458 1.00 0.00 N ATOM 227 CA GLY A 17 0.967 8.959 6.321 1.00 0.00 C ATOM 228 C GLY A 17 1.756 8.626 5.081 1.00 0.00 C ATOM 229 O GLY A 17 1.335 8.906 3.959 1.00 0.00 O ATOM 0 H GLY A 17 2.813 9.139 7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.301 8.129 6.558 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.337 9.827 6.125 1.00 0.00 H new ATOM 233 N LYS A 18 2.900 8.016 5.303 1.00 0.00 N ATOM 234 CA LYS A 18 3.786 7.610 4.245 1.00 0.00 C ATOM 235 C LYS A 18 3.187 6.443 3.489 1.00 0.00 C ATOM 236 O LYS A 18 3.307 6.334 2.269 1.00 0.00 O ATOM 237 CB LYS A 18 5.122 7.209 4.861 1.00 0.00 C ATOM 238 CG LYS A 18 6.185 8.280 4.813 1.00 0.00 C ATOM 239 CD LYS A 18 5.568 9.649 4.922 1.00 0.00 C ATOM 240 CE LYS A 18 6.620 10.746 4.937 1.00 0.00 C ATOM 241 NZ LYS A 18 6.888 11.282 3.573 1.00 0.00 N ATOM 0 H LYS A 18 3.241 7.787 6.237 1.00 0.00 H new ATOM 0 HA LYS A 18 3.934 8.432 3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.957 6.926 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.494 6.324 4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.896 8.130 5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.745 8.202 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.889 9.809 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.971 9.706 5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.289 11.557 5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.545 10.355 5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.858 11.655 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.779 10.520 2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.214 12.046 3.362 1.00 0.00 H new ATOM 255 N GLY A 19 2.529 5.588 4.241 1.00 0.00 N ATOM 256 CA GLY A 19 1.885 4.435 3.683 1.00 0.00 C ATOM 257 C GLY A 19 0.378 4.587 3.640 1.00 0.00 C ATOM 258 O GLY A 19 -0.157 5.652 3.947 1.00 0.00 O ATOM 0 H GLY A 19 2.430 5.678 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.260 4.264 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.143 3.555 4.273 1.00 0.00 H new ATOM 262 N ARG A 20 -0.302 3.526 3.246 1.00 0.00 N ATOM 263 CA ARG A 20 -1.743 3.529 3.144 1.00 0.00 C ATOM 264 C ARG A 20 -2.261 2.101 3.025 1.00 0.00 C ATOM 265 O ARG A 20 -1.481 1.148 3.009 1.00 0.00 O ATOM 266 CB ARG A 20 -2.152 4.348 1.932 1.00 0.00 C ATOM 267 CG ARG A 20 -1.705 3.724 0.632 1.00 0.00 C ATOM 268 CD ARG A 20 -2.765 3.855 -0.438 1.00 0.00 C ATOM 269 NE ARG A 20 -2.491 4.959 -1.354 1.00 0.00 N ATOM 270 CZ ARG A 20 -1.436 5.005 -2.165 1.00 0.00 C ATOM 271 NH1 ARG A 20 -0.555 4.012 -2.179 1.00 0.00 N ATOM 272 NH2 ARG A 20 -1.264 6.047 -2.967 1.00 0.00 N ATOM 0 H ARG A 20 0.132 2.640 2.989 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.175 3.974 4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.236 4.460 1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.729 5.349 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.785 4.202 0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.477 2.670 0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.827 2.924 -1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.736 4.008 0.032 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.146 5.741 -1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.684 3.207 -1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.251 4.054 -2.803 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.939 6.811 -2.962 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.456 6.084 -3.589 1.00 0.00 H new ATOM 286 N CYS A 21 -3.568 1.958 2.899 1.00 0.00 N ATOM 287 CA CYS A 21 -4.174 0.634 2.734 1.00 0.00 C ATOM 288 C CYS A 21 -3.948 0.131 1.316 1.00 0.00 C ATOM 289 O CYS A 21 -3.810 0.926 0.386 1.00 0.00 O ATOM 290 CB CYS A 21 -5.658 0.687 3.023 1.00 0.00 C ATOM 291 SG CYS A 21 -6.233 -0.473 4.308 1.00 0.00 S ATOM 0 H CYS A 21 -4.233 2.732 2.907 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.703 -0.050 3.440 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.918 1.701 3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.201 0.482 2.100 1.00 0.00 H new ATOM 296 N PHE A 22 -3.890 -1.185 1.150 1.00 0.00 N ATOM 297 CA PHE A 22 -3.652 -1.761 -0.172 1.00 0.00 C ATOM 298 C PHE A 22 -4.606 -2.909 -0.502 1.00 0.00 C ATOM 299 O PHE A 22 -4.758 -3.271 -1.669 1.00 0.00 O ATOM 300 CB PHE A 22 -2.209 -2.240 -0.256 1.00 0.00 C ATOM 301 CG PHE A 22 -1.290 -1.133 -0.657 1.00 0.00 C ATOM 302 CD1 PHE A 22 -1.093 -0.048 0.183 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.646 -1.158 -1.881 1.00 0.00 C ATOM 304 CE1 PHE A 22 -0.259 0.984 -0.194 1.00 0.00 C ATOM 305 CE2 PHE A 22 0.184 -0.124 -2.262 1.00 0.00 C ATOM 306 CZ PHE A 22 0.380 0.945 -1.416 1.00 0.00 C ATOM 0 H PHE A 22 -4.002 -1.866 1.901 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.839 -0.980 -0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.900 -2.640 0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.136 -3.055 -0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.595 -0.010 1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.795 -1.996 -2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.106 1.823 0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.679 -0.153 -3.221 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.034 1.753 -1.709 1.00 0.00 H new ATOM 316 N GLY A 23 -5.254 -3.481 0.511 1.00 0.00 N ATOM 317 CA GLY A 23 -6.171 -4.576 0.252 1.00 0.00 C ATOM 318 C GLY A 23 -6.857 -5.115 1.499 1.00 0.00 C ATOM 319 O GLY A 23 -7.699 -4.436 2.085 1.00 0.00 O ATOM 0 H GLY A 23 -5.162 -3.211 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.932 -4.241 -0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.625 -5.387 -0.230 1.00 0.00 H new ATOM 323 N PRO A 24 -6.541 -6.360 1.910 1.00 0.00 N ATOM 324 CA PRO A 24 -7.149 -7.005 3.064 1.00 0.00 C ATOM 325 C PRO A 24 -6.256 -6.969 4.297 1.00 0.00 C ATOM 326 O PRO A 24 -5.254 -7.680 4.362 1.00 0.00 O ATOM 327 CB PRO A 24 -7.281 -8.431 2.546 1.00 0.00 C ATOM 328 CG PRO A 24 -6.041 -8.642 1.732 1.00 0.00 C ATOM 329 CD PRO A 24 -5.582 -7.274 1.267 1.00 0.00 C ATOM 0 HA PRO A 24 -8.075 -6.531 3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.347 -9.148 3.365 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.180 -8.554 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.267 -9.128 2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.244 -9.291 0.880 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.558 -7.066 1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.610 -7.188 0.181 1.00 0.00 H new ATOM 337 N SER A 25 -6.610 -6.138 5.275 1.00 0.00 N ATOM 338 CA SER A 25 -5.809 -6.029 6.492 1.00 0.00 C ATOM 339 C SER A 25 -4.355 -5.760 6.138 1.00 0.00 C ATOM 340 O SER A 25 -3.447 -6.092 6.900 1.00 0.00 O ATOM 341 CB SER A 25 -5.894 -7.324 7.301 1.00 0.00 C ATOM 342 OG SER A 25 -5.987 -7.053 8.689 1.00 0.00 O ATOM 0 H SER A 25 -7.434 -5.538 5.250 1.00 0.00 H new ATOM 0 HA SER A 25 -6.200 -5.204 7.087 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.762 -7.900 6.981 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.014 -7.937 7.105 1.00 0.00 H new ATOM 0 HG SER A 25 -6.042 -7.897 9.184 1.00 0.00 H new ATOM 348 N ILE A 26 -4.137 -5.194 4.959 1.00 0.00 N ATOM 349 CA ILE A 26 -2.794 -4.933 4.494 1.00 0.00 C ATOM 350 C ILE A 26 -2.487 -3.446 4.355 1.00 0.00 C ATOM 351 O ILE A 26 -3.381 -2.600 4.278 1.00 0.00 O ATOM 352 CB ILE A 26 -2.551 -5.632 3.146 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.106 -6.075 3.031 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.901 -4.714 1.993 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.951 -7.308 2.166 1.00 0.00 C ATOM 0 H ILE A 26 -4.874 -4.910 4.314 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.123 -5.333 5.254 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.196 -6.510 3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.511 -5.263 2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.711 -6.280 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.721 -5.230 1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.952 -4.433 2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.282 -3.818 2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.102 -7.586 2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.523 -8.130 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.320 -7.097 1.162 1.00 0.00 H new ATOM 367 N CYS A 27 -1.196 -3.164 4.306 1.00 0.00 N ATOM 368 CA CYS A 27 -0.677 -1.826 4.167 1.00 0.00 C ATOM 369 C CYS A 27 0.655 -1.902 3.437 1.00 0.00 C ATOM 370 O CYS A 27 1.430 -2.836 3.651 1.00 0.00 O ATOM 371 CB CYS A 27 -0.505 -1.207 5.540 1.00 0.00 C ATOM 372 SG CYS A 27 -1.628 0.185 5.861 1.00 0.00 S ATOM 0 H CYS A 27 -0.470 -3.878 4.363 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.365 -1.203 3.596 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.666 -1.974 6.297 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.524 -0.864 5.648 1.00 0.00 H new ATOM 377 N CYS A 28 0.920 -0.952 2.558 1.00 0.00 N ATOM 378 CA CYS A 28 2.140 -0.990 1.795 1.00 0.00 C ATOM 379 C CYS A 28 2.700 0.399 1.557 1.00 0.00 C ATOM 380 O CYS A 28 2.203 1.119 0.692 1.00 0.00 O ATOM 381 CB CYS A 28 1.846 -1.665 0.454 1.00 0.00 C ATOM 382 SG CYS A 28 2.949 -3.043 0.008 1.00 0.00 S ATOM 0 H CYS A 28 0.312 -0.157 2.361 1.00 0.00 H new ATOM 0 HA CYS A 28 2.888 -1.549 2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.821 -2.035 0.471 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.900 -0.911 -0.331 1.00 0.00 H new ATOM 387 N GLY A 29 3.730 0.795 2.295 1.00 0.00 N ATOM 388 CA GLY A 29 4.283 2.061 2.066 1.00 0.00 C ATOM 389 C GLY A 29 5.370 1.953 1.023 1.00 0.00 C ATOM 390 O GLY A 29 6.337 1.225 1.234 1.00 0.00 O ATOM 0 H GLY A 29 4.170 0.248 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.510 2.752 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.692 2.464 2.992 1.00 0.00 H new ATOM 394 N ASP A 30 5.227 2.629 -0.113 1.00 0.00 N ATOM 395 CA ASP A 30 6.224 2.555 -1.161 1.00 0.00 C ATOM 396 C ASP A 30 7.538 3.005 -0.564 1.00 0.00 C ATOM 397 O ASP A 30 8.478 2.224 -0.424 1.00 0.00 O ATOM 398 CB ASP A 30 5.829 3.484 -2.306 1.00 0.00 C ATOM 399 CG ASP A 30 4.356 3.401 -2.668 1.00 0.00 C ATOM 400 OD1 ASP A 30 3.511 3.492 -1.753 1.00 0.00 O ATOM 401 OD2 ASP A 30 4.049 3.247 -3.869 1.00 0.00 O ATOM 0 H ASP A 30 4.431 3.231 -0.325 1.00 0.00 H new ATOM 0 HA ASP A 30 6.307 1.541 -1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.071 4.511 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.426 3.240 -3.185 1.00 0.00 H new ATOM 406 N GLU A 31 7.553 4.237 -0.122 1.00 0.00 N ATOM 407 CA GLU A 31 8.688 4.781 0.572 1.00 0.00 C ATOM 408 C GLU A 31 8.623 4.332 2.031 1.00 0.00 C ATOM 409 O GLU A 31 9.171 4.989 2.915 1.00 0.00 O ATOM 410 CB GLU A 31 8.621 6.299 0.534 1.00 0.00 C ATOM 411 CG GLU A 31 7.331 6.839 1.140 1.00 0.00 C ATOM 412 CD GLU A 31 7.505 8.231 1.708 1.00 0.00 C ATOM 413 OE1 GLU A 31 8.580 8.509 2.278 1.00 0.00 O ATOM 414 OE2 GLU A 31 6.566 9.045 1.583 1.00 0.00 O ATOM 0 H GLU A 31 6.777 4.890 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 31 9.610 4.438 0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.473 6.711 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.704 6.638 -0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.552 6.854 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.993 6.167 1.928 1.00 0.00 H new ATOM 421 N LEU A 32 7.861 3.266 2.288 1.00 0.00 N ATOM 422 CA LEU A 32 7.633 2.818 3.647 1.00 0.00 C ATOM 423 C LEU A 32 7.395 1.313 3.769 1.00 0.00 C ATOM 424 O LEU A 32 6.668 0.874 4.649 1.00 0.00 O ATOM 425 CB LEU A 32 6.435 3.613 4.146 1.00 0.00 C ATOM 426 CG LEU A 32 5.980 3.421 5.587 1.00 0.00 C ATOM 427 CD1 LEU A 32 4.679 2.659 5.579 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.023 2.729 6.465 1.00 0.00 C ATOM 0 H LEU A 32 7.398 2.706 1.572 1.00 0.00 H new ATOM 0 HA LEU A 32 8.525 2.992 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.659 4.671 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.590 3.379 3.498 1.00 0.00 H new ATOM 0 HG LEU A 32 5.840 4.406 6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.337 2.512 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.930 3.224 5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.828 1.690 5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.634 2.624 7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.245 1.743 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.935 3.326 6.486 1.00 0.00 H new ATOM 440 N GLY A 33 8.033 0.530 2.907 1.00 0.00 N ATOM 441 CA GLY A 33 7.903 -0.926 2.959 1.00 0.00 C ATOM 442 C GLY A 33 6.479 -1.425 3.179 1.00 0.00 C ATOM 443 O GLY A 33 5.549 -0.635 3.349 1.00 0.00 O ATOM 0 H GLY A 33 8.643 0.874 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.282 -1.346 2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.536 -1.306 3.761 1.00 0.00 H new ATOM 447 N CYS A 34 6.303 -2.748 3.131 1.00 0.00 N ATOM 448 CA CYS A 34 4.979 -3.340 3.281 1.00 0.00 C ATOM 449 C CYS A 34 4.797 -4.121 4.569 1.00 0.00 C ATOM 450 O CYS A 34 5.653 -4.907 4.971 1.00 0.00 O ATOM 451 CB CYS A 34 4.678 -4.258 2.111 1.00 0.00 C ATOM 452 SG CYS A 34 2.933 -4.247 1.629 1.00 0.00 S ATOM 0 H CYS A 34 7.056 -3.421 2.991 1.00 0.00 H new ATOM 0 HA CYS A 34 4.285 -2.500 3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.286 -3.960 1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.970 -5.275 2.371 1.00 0.00 H new ATOM 457 N PHE A 35 3.644 -3.906 5.186 1.00 0.00 N ATOM 458 CA PHE A 35 3.272 -4.592 6.416 1.00 0.00 C ATOM 459 C PHE A 35 1.850 -5.142 6.308 1.00 0.00 C ATOM 460 O PHE A 35 0.906 -4.372 6.151 1.00 0.00 O ATOM 461 CB PHE A 35 3.349 -3.636 7.607 1.00 0.00 C ATOM 462 CG PHE A 35 4.466 -2.645 7.529 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.502 -1.717 6.508 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.478 -2.645 8.475 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.521 -0.804 6.423 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.509 -1.725 8.395 1.00 0.00 C ATOM 467 CZ PHE A 35 6.528 -0.802 7.363 1.00 0.00 C ATOM 0 H PHE A 35 2.939 -3.251 4.848 1.00 0.00 H new ATOM 0 HA PHE A 35 3.970 -5.415 6.568 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.405 -3.097 7.687 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.460 -4.220 8.520 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.717 -1.710 5.766 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.462 -3.366 9.279 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.534 -0.085 5.617 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.296 -1.727 9.135 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.330 -0.082 7.295 1.00 0.00 H new ATOM 477 N VAL A 36 1.677 -6.455 6.427 1.00 0.00 N ATOM 478 CA VAL A 36 0.335 -7.025 6.367 1.00 0.00 C ATOM 479 C VAL A 36 -0.221 -7.171 7.767 1.00 0.00 C ATOM 480 O VAL A 36 0.143 -8.086 8.506 1.00 0.00 O ATOM 481 CB VAL A 36 0.284 -8.391 5.663 1.00 0.00 C ATOM 482 CG1 VAL A 36 -1.149 -8.717 5.251 1.00 0.00 C ATOM 483 CG2 VAL A 36 1.218 -8.410 4.461 1.00 0.00 C ATOM 0 H VAL A 36 2.429 -7.131 6.562 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.268 -6.335 5.777 1.00 0.00 H new ATOM 0 HB VAL A 36 0.622 -9.158 6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.173 -9.687 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.784 -8.748 6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.515 -7.950 4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.168 -9.385 3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.917 -7.637 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.240 -8.221 4.791 1.00 0.00 H new ATOM 493 N GLY A 37 -1.093 -6.247 8.129 1.00 0.00 N ATOM 494 CA GLY A 37 -1.679 -6.264 9.459 1.00 0.00 C ATOM 495 C GLY A 37 -0.619 -6.164 10.546 1.00 0.00 C ATOM 496 O GLY A 37 -0.853 -6.540 11.695 1.00 0.00 O ATOM 0 H GLY A 37 -1.409 -5.484 7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.380 -5.435 9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.251 -7.182 9.592 1.00 0.00 H new ATOM 500 N THR A 38 0.554 -5.665 10.167 1.00 0.00 N ATOM 501 CA THR A 38 1.679 -5.506 11.083 1.00 0.00 C ATOM 502 C THR A 38 1.583 -4.168 11.813 1.00 0.00 C ATOM 503 O THR A 38 0.664 -3.386 11.568 1.00 0.00 O ATOM 504 CB THR A 38 2.981 -5.566 10.284 1.00 0.00 C ATOM 505 OG1 THR A 38 2.878 -6.506 9.231 1.00 0.00 O ATOM 506 CG2 THR A 38 4.210 -5.922 11.090 1.00 0.00 C ATOM 0 H THR A 38 0.752 -5.359 9.214 1.00 0.00 H new ATOM 0 HA THR A 38 1.659 -6.307 11.822 1.00 0.00 H new ATOM 0 HB THR A 38 3.113 -4.549 9.916 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.720 -6.529 8.730 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.082 -5.939 10.436 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.359 -5.179 11.874 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.076 -6.905 11.542 1.00 0.00 H new ATOM 514 N ALA A 39 2.545 -3.898 12.693 1.00 0.00 N ATOM 515 CA ALA A 39 2.573 -2.646 13.443 1.00 0.00 C ATOM 516 C ALA A 39 2.279 -1.451 12.541 1.00 0.00 C ATOM 517 O ALA A 39 1.307 -0.736 12.745 1.00 0.00 O ATOM 518 CB ALA A 39 3.924 -2.473 14.123 1.00 0.00 C ATOM 0 H ALA A 39 3.316 -4.531 12.904 1.00 0.00 H new ATOM 0 HA ALA A 39 1.793 -2.691 14.203 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.934 -1.536 14.680 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.096 -3.304 14.808 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.711 -2.456 13.369 1.00 0.00 H new ATOM 524 N GLU A 40 3.123 -1.242 11.541 1.00 0.00 N ATOM 525 CA GLU A 40 2.951 -0.133 10.609 1.00 0.00 C ATOM 526 C GLU A 40 1.780 -0.359 9.642 1.00 0.00 C ATOM 527 O GLU A 40 1.586 0.423 8.713 1.00 0.00 O ATOM 528 CB GLU A 40 4.242 0.085 9.827 1.00 0.00 C ATOM 529 CG GLU A 40 5.010 1.328 10.247 1.00 0.00 C ATOM 530 CD GLU A 40 6.118 1.024 11.237 1.00 0.00 C ATOM 531 OE1 GLU A 40 7.056 0.286 10.871 1.00 0.00 O ATOM 532 OE2 GLU A 40 6.047 1.525 12.380 1.00 0.00 O ATOM 0 H GLU A 40 3.937 -1.827 11.352 1.00 0.00 H new ATOM 0 HA GLU A 40 2.716 0.756 11.195 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.884 -0.787 9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.005 0.157 8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.438 1.802 9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.319 2.045 10.690 1.00 0.00 H new ATOM 539 N ALA A 41 1.019 -1.436 9.841 1.00 0.00 N ATOM 540 CA ALA A 41 -0.107 -1.748 8.962 1.00 0.00 C ATOM 541 C ALA A 41 -1.457 -1.486 9.624 1.00 0.00 C ATOM 542 O ALA A 41 -2.463 -1.291 8.942 1.00 0.00 O ATOM 543 CB ALA A 41 -0.041 -3.201 8.547 1.00 0.00 C ATOM 0 H ALA A 41 1.161 -2.103 10.599 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.026 -1.092 8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.881 -3.431 7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.893 -3.386 8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.087 -3.835 9.433 1.00 0.00 H new ATOM 549 N LEU A 42 -1.481 -1.515 10.950 1.00 0.00 N ATOM 550 CA LEU A 42 -2.715 -1.310 11.697 1.00 0.00 C ATOM 551 C LEU A 42 -3.422 -0.005 11.338 1.00 0.00 C ATOM 552 O LEU A 42 -4.595 0.168 11.657 1.00 0.00 O ATOM 553 CB LEU A 42 -2.458 -1.376 13.208 1.00 0.00 C ATOM 554 CG LEU A 42 -1.249 -0.586 13.729 1.00 0.00 C ATOM 555 CD1 LEU A 42 -0.837 0.503 12.752 1.00 0.00 C ATOM 556 CD2 LEU A 42 -1.557 0.014 15.093 1.00 0.00 C ATOM 0 H LEU A 42 -0.659 -1.679 11.531 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.383 -2.122 11.410 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.349 -1.016 13.722 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.329 -2.422 13.488 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.414 -1.279 13.829 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.021 1.044 13.151 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.570 0.052 11.796 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.667 1.195 12.608 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.691 0.571 15.449 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.411 0.686 15.010 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.790 -0.784 15.798 1.00 0.00 H new ATOM 568 N ARG A 43 -2.726 0.908 10.672 1.00 0.00 N ATOM 569 CA ARG A 43 -3.329 2.177 10.285 1.00 0.00 C ATOM 570 C ARG A 43 -4.650 1.963 9.550 1.00 0.00 C ATOM 571 O ARG A 43 -5.506 2.848 9.522 1.00 0.00 O ATOM 572 CB ARG A 43 -2.366 2.978 9.422 1.00 0.00 C ATOM 573 CG ARG A 43 -1.951 4.298 10.054 1.00 0.00 C ATOM 574 CD ARG A 43 -1.220 4.076 11.368 1.00 0.00 C ATOM 575 NE ARG A 43 -0.080 4.976 11.521 1.00 0.00 N ATOM 576 CZ ARG A 43 0.641 5.074 12.636 1.00 0.00 C ATOM 577 NH1 ARG A 43 0.345 4.327 13.692 1.00 0.00 N ATOM 578 NH2 ARG A 43 1.660 5.919 12.695 1.00 0.00 N ATOM 0 H ARG A 43 -1.752 0.795 10.391 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.540 2.739 11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.476 2.379 9.230 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.832 3.175 8.456 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.308 4.847 9.366 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.833 4.915 10.226 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.912 4.224 12.197 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.876 3.043 11.421 1.00 0.00 H new ATOM 0 HE ARG A 43 0.179 5.563 10.728 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.438 3.674 13.652 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.900 4.406 14.544 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.892 6.495 11.886 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.212 5.994 13.550 1.00 0.00 H new ATOM 592 N CYS A 44 -4.815 0.782 8.963 1.00 0.00 N ATOM 593 CA CYS A 44 -6.034 0.456 8.241 1.00 0.00 C ATOM 594 C CYS A 44 -7.183 0.157 9.195 1.00 0.00 C ATOM 595 O CYS A 44 -8.320 -0.026 8.762 1.00 0.00 O ATOM 596 CB CYS A 44 -5.801 -0.713 7.305 1.00 0.00 C ATOM 597 SG CYS A 44 -4.872 -0.282 5.799 1.00 0.00 S ATOM 0 H CYS A 44 -4.119 0.037 8.975 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.313 1.327 7.649 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.261 -1.493 7.842 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.765 -1.133 7.017 1.00 0.00 H new ATOM 602 N GLN A 45 -6.899 0.142 10.497 1.00 0.00 N ATOM 603 CA GLN A 45 -7.930 -0.087 11.489 1.00 0.00 C ATOM 604 C GLN A 45 -9.048 0.924 11.278 1.00 0.00 C ATOM 605 O GLN A 45 -10.208 0.680 11.610 1.00 0.00 O ATOM 606 CB GLN A 45 -7.344 0.065 12.886 1.00 0.00 C ATOM 607 CG GLN A 45 -7.143 -1.254 13.615 1.00 0.00 C ATOM 608 CD GLN A 45 -5.742 -1.406 14.173 1.00 0.00 C ATOM 609 OE1 GLN A 45 -5.064 -2.401 13.916 1.00 0.00 O ATOM 610 NE2 GLN A 45 -5.300 -0.417 14.941 1.00 0.00 N ATOM 0 H GLN A 45 -5.965 0.286 10.881 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.326 -1.097 11.386 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.385 0.579 12.814 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.002 0.700 13.479 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.864 -1.328 14.429 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.349 -2.077 12.931 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.896 0.389 15.128 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.364 -0.464 15.344 1.00 0.00 H new ATOM 619 N GLU A 46 -8.666 2.061 10.703 1.00 0.00 N ATOM 620 CA GLU A 46 -9.579 3.132 10.402 1.00 0.00 C ATOM 621 C GLU A 46 -10.425 2.771 9.191 1.00 0.00 C ATOM 622 O GLU A 46 -11.559 3.228 9.045 1.00 0.00 O ATOM 623 CB GLU A 46 -8.758 4.378 10.103 1.00 0.00 C ATOM 624 CG GLU A 46 -8.370 5.160 11.342 1.00 0.00 C ATOM 625 CD GLU A 46 -7.590 6.419 11.020 1.00 0.00 C ATOM 626 OE1 GLU A 46 -6.679 6.352 10.167 1.00 0.00 O ATOM 627 OE2 GLU A 46 -7.887 7.472 11.622 1.00 0.00 O ATOM 0 H GLU A 46 -7.701 2.255 10.435 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.245 3.308 11.247 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.853 4.087 9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.327 5.027 9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.271 5.427 11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.772 4.524 11.995 1.00 0.00 H new ATOM 634 N GLU A 47 -9.860 1.932 8.327 1.00 0.00 N ATOM 635 CA GLU A 47 -10.556 1.492 7.123 1.00 0.00 C ATOM 636 C GLU A 47 -11.538 0.361 7.432 1.00 0.00 C ATOM 637 O GLU A 47 -12.113 -0.236 6.523 1.00 0.00 O ATOM 638 CB GLU A 47 -9.547 1.032 6.070 1.00 0.00 C ATOM 639 CG GLU A 47 -10.030 1.219 4.640 1.00 0.00 C ATOM 640 CD GLU A 47 -10.335 -0.097 3.951 1.00 0.00 C ATOM 641 OE1 GLU A 47 -9.379 -0.832 3.626 1.00 0.00 O ATOM 642 OE2 GLU A 47 -11.530 -0.393 3.738 1.00 0.00 O ATOM 0 H GLU A 47 -8.923 1.544 8.439 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.123 2.338 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.617 1.584 6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.320 -0.022 6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.926 1.840 4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.271 1.755 4.071 1.00 0.00 H new ATOM 649 N ASN A 48 -11.724 0.070 8.718 1.00 0.00 N ATOM 650 CA ASN A 48 -12.621 -0.982 9.148 1.00 0.00 C ATOM 651 C ASN A 48 -13.931 -0.412 9.694 1.00 0.00 C ATOM 652 O ASN A 48 -14.922 -1.132 9.814 1.00 0.00 O ATOM 653 CB ASN A 48 -11.941 -1.844 10.215 1.00 0.00 C ATOM 654 CG ASN A 48 -11.766 -3.283 9.770 1.00 0.00 C ATOM 655 OD1 ASN A 48 -11.688 -3.570 8.575 1.00 0.00 O ATOM 656 ND2 ASN A 48 -11.695 -4.194 10.732 1.00 0.00 N ATOM 0 H ASN A 48 -11.256 0.558 9.482 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.859 -1.597 8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.966 -1.419 10.454 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.533 -1.819 11.130 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.571 -5.178 10.494 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.765 -3.910 11.709 1.00 0.00 H new ATOM 663 N TYR A 49 -13.934 0.881 10.028 1.00 0.00 N ATOM 664 CA TYR A 49 -15.132 1.528 10.576 1.00 0.00 C ATOM 665 C TYR A 49 -15.872 2.338 9.517 1.00 0.00 C ATOM 666 O TYR A 49 -17.055 2.643 9.671 1.00 0.00 O ATOM 667 CB TYR A 49 -14.747 2.438 11.749 1.00 0.00 C ATOM 668 CG TYR A 49 -14.356 1.707 13.014 1.00 0.00 C ATOM 669 CD1 TYR A 49 -14.310 0.331 13.041 1.00 0.00 C ATOM 670 CD2 TYR A 49 -14.044 2.398 14.177 1.00 0.00 C ATOM 671 CE1 TYR A 49 -13.964 -0.355 14.188 1.00 0.00 C ATOM 672 CE2 TYR A 49 -13.694 1.725 15.333 1.00 0.00 C ATOM 673 CZ TYR A 49 -13.656 0.346 15.333 1.00 0.00 C ATOM 674 OH TYR A 49 -13.310 -0.335 16.480 1.00 0.00 O ATOM 0 H TYR A 49 -13.128 1.498 9.930 1.00 0.00 H new ATOM 0 HA TYR A 49 -15.801 0.742 10.925 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -13.916 3.073 11.441 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.587 3.097 11.971 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.550 -0.223 12.146 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -14.075 3.478 14.179 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -13.935 -1.435 14.188 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -13.452 2.275 16.230 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.122 0.306 17.197 1.00 0.00 H new ATOM 684 N LEU A 50 -15.179 2.670 8.441 1.00 0.00 N ATOM 685 CA LEU A 50 -15.775 3.430 7.361 1.00 0.00 C ATOM 686 C LEU A 50 -15.237 2.983 6.005 1.00 0.00 C ATOM 687 O LEU A 50 -14.369 3.636 5.426 1.00 0.00 O ATOM 688 CB LEU A 50 -15.533 4.928 7.557 1.00 0.00 C ATOM 689 CG LEU A 50 -16.664 5.835 7.067 1.00 0.00 C ATOM 690 CD1 LEU A 50 -17.621 6.162 8.205 1.00 0.00 C ATOM 691 CD2 LEU A 50 -16.099 7.109 6.456 1.00 0.00 C ATOM 0 H LEU A 50 -14.200 2.423 8.294 1.00 0.00 H new ATOM 0 HA LEU A 50 -16.849 3.242 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -15.368 5.118 8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.615 5.204 7.037 1.00 0.00 H new ATOM 0 HG LEU A 50 -17.222 5.303 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -18.418 6.808 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -18.052 5.240 8.594 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -17.079 6.673 9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.917 7.742 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -15.516 7.644 7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.459 6.855 5.611 1.00 0.00 H new ATOM 703 N PRO A 51 -15.745 1.855 5.479 1.00 0.00 N ATOM 704 CA PRO A 51 -15.314 1.318 4.183 1.00 0.00 C ATOM 705 C PRO A 51 -15.284 2.380 3.089 1.00 0.00 C ATOM 706 O PRO A 51 -16.330 2.816 2.608 1.00 0.00 O ATOM 707 CB PRO A 51 -16.379 0.268 3.883 1.00 0.00 C ATOM 708 CG PRO A 51 -16.771 -0.218 5.228 1.00 0.00 C ATOM 709 CD PRO A 51 -16.779 1.005 6.102 1.00 0.00 C ATOM 0 HA PRO A 51 -14.297 0.927 4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -17.226 0.697 3.348 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.985 -0.538 3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -17.752 -0.692 5.205 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.066 -0.962 5.599 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.754 1.492 6.108 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -16.536 0.765 7.137 1.00 0.00 H new ATOM 717 N SER A 52 -14.082 2.795 2.702 1.00 0.00 N ATOM 718 CA SER A 52 -13.920 3.810 1.664 1.00 0.00 C ATOM 719 C SER A 52 -12.973 3.320 0.566 1.00 0.00 C ATOM 720 O SER A 52 -11.838 2.935 0.851 1.00 0.00 O ATOM 721 CB SER A 52 -13.379 5.105 2.277 1.00 0.00 C ATOM 722 OG SER A 52 -14.057 6.239 1.762 1.00 0.00 O ATOM 0 H SER A 52 -13.206 2.445 3.090 1.00 0.00 H new ATOM 0 HA SER A 52 -14.896 4.002 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.491 5.072 3.361 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.312 5.191 2.070 1.00 0.00 H new ATOM 0 HG SER A 52 -13.693 7.052 2.171 1.00 0.00 H new ATOM 728 N PRO A 53 -13.418 3.324 -0.708 1.00 0.00 N ATOM 729 CA PRO A 53 -12.603 2.877 -1.837 1.00 0.00 C ATOM 730 C PRO A 53 -11.656 3.963 -2.350 1.00 0.00 C ATOM 731 O PRO A 53 -11.356 4.024 -3.542 1.00 0.00 O ATOM 732 CB PRO A 53 -13.636 2.518 -2.917 1.00 0.00 C ATOM 733 CG PRO A 53 -14.981 2.874 -2.356 1.00 0.00 C ATOM 734 CD PRO A 53 -14.742 3.753 -1.160 1.00 0.00 C ATOM 0 HA PRO A 53 -11.955 2.047 -1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.442 3.068 -3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.587 1.457 -3.163 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -15.584 3.393 -3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -15.529 1.976 -2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -14.757 4.810 -1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.500 3.606 -0.391 1.00 0.00 H new ATOM 742 N CYS A 54 -11.180 4.806 -1.442 1.00 0.00 N ATOM 743 CA CYS A 54 -10.257 5.880 -1.790 1.00 0.00 C ATOM 744 C CYS A 54 -8.838 5.324 -1.888 1.00 0.00 C ATOM 745 O CYS A 54 -8.651 4.108 -1.923 1.00 0.00 O ATOM 746 CB CYS A 54 -10.320 6.972 -0.713 1.00 0.00 C ATOM 747 SG CYS A 54 -9.926 8.656 -1.298 1.00 0.00 S ATOM 0 H CYS A 54 -11.420 4.766 -0.451 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.537 6.308 -2.753 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -11.321 6.978 -0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.629 6.711 0.089 1.00 0.00 H new ATOM 752 N GLN A 55 -7.847 6.217 -1.909 1.00 0.00 N ATOM 753 CA GLN A 55 -6.437 5.827 -1.965 1.00 0.00 C ATOM 754 C GLN A 55 -6.206 4.575 -2.824 1.00 0.00 C ATOM 755 O GLN A 55 -6.909 4.350 -3.809 1.00 0.00 O ATOM 756 CB GLN A 55 -5.918 5.608 -0.537 1.00 0.00 C ATOM 757 CG GLN A 55 -6.868 4.815 0.343 1.00 0.00 C ATOM 758 CD GLN A 55 -6.165 3.785 1.195 1.00 0.00 C ATOM 759 OE1 GLN A 55 -5.729 2.743 0.705 1.00 0.00 O ATOM 760 NE2 GLN A 55 -6.059 4.075 2.480 1.00 0.00 N ATOM 0 H GLN A 55 -7.998 7.226 -1.888 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.883 6.635 -2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.961 5.089 -0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.732 6.577 -0.075 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.414 5.502 0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.605 4.316 -0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.437 4.952 2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.599 3.422 3.114 1.00 0.00 H new ATOM 769 N SER A 56 -5.208 3.770 -2.445 1.00 0.00 N ATOM 770 CA SER A 56 -4.863 2.553 -3.167 1.00 0.00 C ATOM 771 C SER A 56 -4.104 2.893 -4.442 1.00 0.00 C ATOM 772 O SER A 56 -4.647 3.522 -5.350 1.00 0.00 O ATOM 773 CB SER A 56 -6.116 1.734 -3.487 1.00 0.00 C ATOM 774 OG SER A 56 -6.963 1.637 -2.355 1.00 0.00 O ATOM 0 H SER A 56 -4.621 3.948 -1.630 1.00 0.00 H new ATOM 0 HA SER A 56 -4.219 1.947 -2.530 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.657 2.198 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.828 0.736 -3.816 1.00 0.00 H new ATOM 0 HG SER A 56 -7.593 2.387 -2.353 1.00 0.00 H new ATOM 780 N GLY A 57 -2.843 2.474 -4.507 1.00 0.00 N ATOM 781 CA GLY A 57 -2.035 2.748 -5.680 1.00 0.00 C ATOM 782 C GLY A 57 -1.108 1.606 -5.980 1.00 0.00 C ATOM 783 O GLY A 57 -0.084 1.441 -5.320 1.00 0.00 O ATOM 0 H GLY A 57 -2.369 1.952 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.683 2.928 -6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.456 3.658 -5.521 1.00 0.00 H new ATOM 787 N GLN A 58 -1.491 0.782 -6.946 1.00 0.00 N ATOM 788 CA GLN A 58 -0.709 -0.382 -7.282 1.00 0.00 C ATOM 789 C GLN A 58 -0.159 -0.348 -8.712 1.00 0.00 C ATOM 790 O GLN A 58 -0.771 -0.891 -9.629 1.00 0.00 O ATOM 791 CB GLN A 58 -1.620 -1.583 -7.090 1.00 0.00 C ATOM 792 CG GLN A 58 -1.521 -2.179 -5.700 1.00 0.00 C ATOM 793 CD GLN A 58 -1.084 -3.631 -5.709 1.00 0.00 C ATOM 794 OE1 GLN A 58 0.093 -3.939 -5.521 1.00 0.00 O ATOM 795 NE2 GLN A 58 -2.034 -4.533 -5.928 1.00 0.00 N ATOM 0 H GLN A 58 -2.336 0.904 -7.504 1.00 0.00 H new ATOM 0 HA GLN A 58 0.169 -0.426 -6.638 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.651 -1.285 -7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.368 -2.346 -7.826 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.814 -1.596 -5.110 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.490 -2.100 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.997 -4.233 -6.079 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.800 -5.526 -5.945 1.00 0.00 H new ATOM 804 N LYS A 59 1.026 0.250 -8.876 1.00 0.00 N ATOM 805 CA LYS A 59 1.704 0.324 -10.160 1.00 0.00 C ATOM 806 C LYS A 59 2.163 -1.076 -10.596 1.00 0.00 C ATOM 807 O LYS A 59 3.081 -1.640 -10.013 1.00 0.00 O ATOM 808 CB LYS A 59 2.877 1.299 -10.056 1.00 0.00 C ATOM 809 CG LYS A 59 3.516 1.375 -8.676 1.00 0.00 C ATOM 810 CD LYS A 59 3.004 2.584 -7.901 1.00 0.00 C ATOM 811 CE LYS A 59 2.972 2.340 -6.394 1.00 0.00 C ATOM 812 NZ LYS A 59 4.191 1.626 -5.913 1.00 0.00 N ATOM 0 H LYS A 59 1.538 0.696 -8.115 1.00 0.00 H new ATOM 0 HA LYS A 59 1.019 0.695 -10.923 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.639 1.009 -10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.532 2.294 -10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.298 0.463 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.600 1.435 -8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.639 3.444 -8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.001 2.836 -8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.883 3.294 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.087 1.756 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.299 1.775 -4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.097 0.609 -6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.028 1.996 -6.407 1.00 0.00 H new ATOM 826 N PRO A 60 1.481 -1.669 -11.594 1.00 0.00 N ATOM 827 CA PRO A 60 1.747 -3.034 -12.084 1.00 0.00 C ATOM 828 C PRO A 60 3.205 -3.480 -12.198 1.00 0.00 C ATOM 829 O PRO A 60 4.119 -2.684 -12.412 1.00 0.00 O ATOM 830 CB PRO A 60 1.101 -3.019 -13.463 1.00 0.00 C ATOM 831 CG PRO A 60 -0.073 -2.120 -13.308 1.00 0.00 C ATOM 832 CD PRO A 60 0.328 -1.071 -12.302 1.00 0.00 C ATOM 0 HA PRO A 60 1.358 -3.752 -11.362 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.790 -2.647 -14.221 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.798 -4.020 -13.771 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.341 -1.663 -14.260 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.945 -2.675 -12.964 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.602 -0.135 -12.790 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.488 -0.845 -11.615 1.00 0.00 H new ATOM 840 N CYS A 61 3.366 -4.813 -12.115 1.00 0.00 N ATOM 841 CA CYS A 61 4.648 -5.492 -12.257 1.00 0.00 C ATOM 842 C CYS A 61 4.438 -6.987 -12.490 1.00 0.00 C ATOM 843 O CYS A 61 3.434 -7.575 -12.061 1.00 0.00 O ATOM 844 CB CYS A 61 5.573 -5.303 -11.052 1.00 0.00 C ATOM 845 SG CYS A 61 4.752 -4.804 -9.508 1.00 0.00 S ATOM 0 H CYS A 61 2.589 -5.452 -11.944 1.00 0.00 H new ATOM 0 HA CYS A 61 5.134 -5.034 -13.119 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.106 -6.237 -10.875 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.322 -4.552 -11.305 1.00 0.00 H new ATOM 850 N GLY A 62 5.404 -7.593 -13.166 1.00 0.00 N ATOM 851 CA GLY A 62 5.344 -9.006 -13.468 1.00 0.00 C ATOM 852 C GLY A 62 5.494 -9.899 -12.248 1.00 0.00 C ATOM 853 O GLY A 62 5.581 -11.119 -12.381 1.00 0.00 O ATOM 0 H GLY A 62 6.239 -7.122 -13.514 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.392 -9.225 -13.952 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.129 -9.249 -14.184 1.00 0.00 H new ATOM 857 N SER A 63 5.540 -9.304 -11.060 1.00 0.00 N ATOM 858 CA SER A 63 5.693 -10.069 -9.843 1.00 0.00 C ATOM 859 C SER A 63 4.339 -10.451 -9.254 1.00 0.00 C ATOM 860 O SER A 63 4.062 -10.196 -8.081 1.00 0.00 O ATOM 861 CB SER A 63 6.517 -9.284 -8.820 1.00 0.00 C ATOM 862 OG SER A 63 7.052 -10.141 -7.826 1.00 0.00 O ATOM 0 H SER A 63 5.473 -8.296 -10.922 1.00 0.00 H new ATOM 0 HA SER A 63 6.222 -10.989 -10.090 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.328 -8.760 -9.327 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.891 -8.525 -8.351 1.00 0.00 H new ATOM 0 HG SER A 63 7.451 -9.603 -7.111 1.00 0.00 H new ATOM 868 N GLY A 64 3.505 -11.079 -10.076 1.00 0.00 N ATOM 869 CA GLY A 64 2.197 -11.512 -9.631 1.00 0.00 C ATOM 870 C GLY A 64 1.339 -10.398 -9.073 1.00 0.00 C ATOM 871 O GLY A 64 0.521 -10.625 -8.182 1.00 0.00 O ATOM 0 H GLY A 64 3.716 -11.296 -11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.674 -11.975 -10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.320 -12.280 -8.867 1.00 0.00 H new ATOM 875 N GLY A 65 1.512 -9.203 -9.603 1.00 0.00 N ATOM 876 CA GLY A 65 0.727 -8.076 -9.151 1.00 0.00 C ATOM 877 C GLY A 65 1.279 -6.733 -9.524 1.00 0.00 C ATOM 878 O GLY A 65 1.948 -6.577 -10.543 1.00 0.00 O ATOM 0 H GLY A 65 2.184 -8.990 -10.341 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.279 -8.165 -9.560 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.636 -8.127 -8.066 1.00 0.00 H new ATOM 882 N ARG A 66 0.983 -5.748 -8.694 1.00 0.00 N ATOM 883 CA ARG A 66 1.443 -4.408 -8.937 1.00 0.00 C ATOM 884 C ARG A 66 2.352 -3.930 -7.821 1.00 0.00 C ATOM 885 O ARG A 66 2.245 -4.373 -6.685 1.00 0.00 O ATOM 886 CB ARG A 66 0.297 -3.421 -9.091 1.00 0.00 C ATOM 887 CG ARG A 66 -1.010 -4.034 -9.584 1.00 0.00 C ATOM 888 CD ARG A 66 -0.808 -4.821 -10.868 1.00 0.00 C ATOM 889 NE ARG A 66 -2.063 -5.120 -11.553 1.00 0.00 N ATOM 890 CZ ARG A 66 -2.126 -5.646 -12.776 1.00 0.00 C ATOM 891 NH1 ARG A 66 -1.011 -5.936 -13.438 1.00 0.00 N ATOM 892 NH2 ARG A 66 -3.301 -5.884 -13.339 1.00 0.00 N ATOM 0 H ARG A 66 0.425 -5.859 -7.847 1.00 0.00 H new ATOM 0 HA ARG A 66 1.997 -4.446 -9.875 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.117 -2.941 -8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.600 -2.638 -9.786 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.418 -4.690 -8.815 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.743 -3.245 -9.752 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.160 -4.255 -11.537 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.293 -5.754 -10.639 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.938 -4.915 -11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.103 -5.756 -13.010 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.064 -6.338 -14.374 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.161 -5.665 -12.836 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.346 -6.287 -14.275 1.00 0.00 H new ATOM 906 N CYS A 67 3.240 -3.016 -8.169 1.00 0.00 N ATOM 907 CA CYS A 67 4.185 -2.447 -7.232 1.00 0.00 C ATOM 908 C CYS A 67 3.466 -1.673 -6.147 1.00 0.00 C ATOM 909 O CYS A 67 2.387 -1.132 -6.371 1.00 0.00 O ATOM 910 CB CYS A 67 5.173 -1.558 -7.976 1.00 0.00 C ATOM 911 SG CYS A 67 6.537 -0.916 -6.946 1.00 0.00 S ATOM 0 H CYS A 67 3.324 -2.647 -9.116 1.00 0.00 H new ATOM 0 HA CYS A 67 4.736 -3.254 -6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 67 5.596 -2.123 -8.807 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.632 -0.715 -8.406 1.00 0.00 H new ATOM 916 N ALA A 68 4.056 -1.640 -4.966 1.00 0.00 N ATOM 917 CA ALA A 68 3.446 -0.960 -3.848 1.00 0.00 C ATOM 918 C ALA A 68 4.496 -0.336 -2.914 1.00 0.00 C ATOM 919 O ALA A 68 4.910 0.806 -3.103 1.00 0.00 O ATOM 920 CB ALA A 68 2.554 -1.964 -3.123 1.00 0.00 C ATOM 0 H ALA A 68 4.955 -2.076 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 68 2.844 -0.124 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.078 -1.479 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.788 -2.330 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.158 -2.801 -2.773 1.00 0.00 H new ATOM 926 N ALA A 69 4.875 -1.083 -1.893 1.00 0.00 N ATOM 927 CA ALA A 69 5.840 -0.648 -0.895 1.00 0.00 C ATOM 928 C ALA A 69 7.278 -0.692 -1.387 1.00 0.00 C ATOM 929 O ALA A 69 7.524 -0.901 -2.574 1.00 0.00 O ATOM 930 CB ALA A 69 5.708 -1.482 0.353 1.00 0.00 C ATOM 0 H ALA A 69 4.516 -2.024 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 69 5.609 0.395 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.435 -1.147 1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.702 -1.374 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.891 -2.529 0.112 1.00 0.00 H new ATOM 936 N ALA A 70 8.238 -0.488 -0.455 1.00 0.00 N ATOM 937 CA ALA A 70 9.654 -0.517 -0.808 1.00 0.00 C ATOM 938 C ALA A 70 9.919 -1.696 -1.693 1.00 0.00 C ATOM 939 O ALA A 70 10.165 -2.791 -1.198 1.00 0.00 O ATOM 940 CB ALA A 70 10.554 -0.651 0.409 1.00 0.00 C ATOM 0 H ALA A 70 8.050 -0.305 0.531 1.00 0.00 H new ATOM 0 HA ALA A 70 9.876 0.427 -1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.596 -0.668 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.392 0.195 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.320 -1.577 0.934 1.00 0.00 H new ATOM 946 N GLY A 71 9.824 -1.504 -2.988 1.00 0.00 N ATOM 947 CA GLY A 71 10.029 -2.611 -3.863 1.00 0.00 C ATOM 948 C GLY A 71 9.097 -3.745 -3.519 1.00 0.00 C ATOM 949 O GLY A 71 9.531 -4.850 -3.210 1.00 0.00 O ATOM 0 H GLY A 71 9.612 -0.615 -3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.865 -2.300 -4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.063 -2.950 -3.792 1.00 0.00 H new ATOM 953 N ILE A 72 7.813 -3.475 -3.604 1.00 0.00 N ATOM 954 CA ILE A 72 6.811 -4.469 -3.334 1.00 0.00 C ATOM 955 C ILE A 72 5.839 -4.498 -4.488 1.00 0.00 C ATOM 956 O ILE A 72 5.576 -3.481 -5.114 1.00 0.00 O ATOM 957 CB ILE A 72 6.064 -4.229 -1.994 1.00 0.00 C ATOM 958 CG1 ILE A 72 6.911 -4.734 -0.818 1.00 0.00 C ATOM 959 CG2 ILE A 72 4.688 -4.902 -1.977 1.00 0.00 C ATOM 960 CD1 ILE A 72 6.732 -6.206 -0.500 1.00 0.00 C ATOM 0 H ILE A 72 7.440 -2.561 -3.862 1.00 0.00 H new ATOM 0 HA ILE A 72 7.310 -5.433 -3.230 1.00 0.00 H new ATOM 0 HB ILE A 72 5.907 -3.155 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.962 -4.548 -1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.663 -4.151 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.200 -4.709 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.076 -4.500 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.807 -5.977 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.368 -6.476 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.690 -6.399 -0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.010 -6.802 -1.369 1.00 0.00 H new ATOM 972 N CYS A 73 5.335 -5.672 -4.761 1.00 0.00 N ATOM 973 CA CYS A 73 4.403 -5.890 -5.824 1.00 0.00 C ATOM 974 C CYS A 73 3.308 -6.759 -5.240 1.00 0.00 C ATOM 975 O CYS A 73 3.509 -7.944 -4.964 1.00 0.00 O ATOM 976 CB CYS A 73 5.128 -6.513 -7.034 1.00 0.00 C ATOM 977 SG CYS A 73 4.190 -6.535 -8.596 1.00 0.00 S ATOM 0 H CYS A 73 5.568 -6.516 -4.238 1.00 0.00 H new ATOM 0 HA CYS A 73 3.959 -4.971 -6.207 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.057 -5.967 -7.198 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.401 -7.538 -6.782 1.00 0.00 H new ATOM 982 N CYS A 74 2.194 -6.116 -4.918 1.00 0.00 N ATOM 983 CA CYS A 74 1.114 -6.787 -4.229 1.00 0.00 C ATOM 984 C CYS A 74 0.073 -7.440 -5.122 1.00 0.00 C ATOM 985 O CYS A 74 -0.082 -7.114 -6.298 1.00 0.00 O ATOM 986 CB CYS A 74 0.448 -5.810 -3.274 1.00 0.00 C ATOM 987 SG CYS A 74 -0.227 -6.595 -1.781 1.00 0.00 S ATOM 0 H CYS A 74 2.020 -5.132 -5.125 1.00 0.00 H new ATOM 0 HA CYS A 74 1.576 -7.617 -3.694 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.174 -5.052 -2.979 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.357 -5.294 -3.798 1.00 0.00 H new ATOM 992 N SER A 75 -0.643 -8.373 -4.498 1.00 0.00 N ATOM 993 CA SER A 75 -1.698 -9.131 -5.125 1.00 0.00 C ATOM 994 C SER A 75 -2.956 -9.083 -4.257 1.00 0.00 C ATOM 995 O SER A 75 -2.959 -8.448 -3.202 1.00 0.00 O ATOM 996 CB SER A 75 -1.252 -10.580 -5.335 1.00 0.00 C ATOM 997 OG SER A 75 0.129 -10.653 -5.647 1.00 0.00 O ATOM 0 H SER A 75 -0.494 -8.621 -3.520 1.00 0.00 H new ATOM 0 HA SER A 75 -1.923 -8.693 -6.097 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.455 -11.159 -4.434 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.833 -11.029 -6.140 1.00 0.00 H new ATOM 0 HG SER A 75 0.287 -10.254 -6.528 1.00 0.00 H new ATOM 1003 N PRO A 76 -4.045 -9.747 -4.680 1.00 0.00 N ATOM 1004 CA PRO A 76 -5.299 -9.759 -3.922 1.00 0.00 C ATOM 1005 C PRO A 76 -5.205 -10.625 -2.667 1.00 0.00 C ATOM 1006 O PRO A 76 -6.091 -10.592 -1.812 1.00 0.00 O ATOM 1007 CB PRO A 76 -6.311 -10.379 -4.900 1.00 0.00 C ATOM 1008 CG PRO A 76 -5.621 -10.423 -6.224 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.157 -10.521 -5.920 1.00 0.00 C ATOM 0 HA PRO A 76 -5.568 -8.760 -3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.604 -11.378 -4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.221 -9.781 -4.953 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.956 -11.278 -6.811 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.840 -9.529 -6.809 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.838 -11.554 -5.785 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.546 -10.100 -6.719 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.128 -11.400 -2.561 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.924 -12.274 -1.406 1.00 0.00 C ATOM 1019 C ASP A 77 -2.865 -11.706 -0.459 1.00 0.00 C ATOM 1020 O ASP A 77 -2.923 -11.923 0.751 1.00 0.00 O ATOM 1021 CB ASP A 77 -3.507 -13.671 -1.871 1.00 0.00 C ATOM 1022 CG ASP A 77 -4.545 -14.726 -1.538 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -4.756 -14.992 -0.336 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -5.146 -15.285 -2.479 1.00 0.00 O ATOM 0 H ASP A 77 -3.385 -11.441 -3.258 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.867 -12.338 -0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.340 -13.657 -2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.559 -13.938 -1.404 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.901 -10.979 -1.015 1.00 0.00 N ATOM 1030 CA GLY A 78 -0.852 -10.396 -0.212 1.00 0.00 C ATOM 1031 C GLY A 78 0.261 -9.802 -1.052 1.00 0.00 C ATOM 1032 O GLY A 78 0.296 -9.996 -2.268 1.00 0.00 O ATOM 0 H GLY A 78 -1.831 -10.785 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.276 -9.620 0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.438 -11.159 0.447 1.00 0.00 H new ATOM 1036 N CYS A 79 1.167 -9.064 -0.417 1.00 0.00 N ATOM 1037 CA CYS A 79 2.262 -8.450 -1.136 1.00 0.00 C ATOM 1038 C CYS A 79 3.534 -9.284 -1.066 1.00 0.00 C ATOM 1039 O CYS A 79 3.656 -10.202 -0.255 1.00 0.00 O ATOM 1040 CB CYS A 79 2.547 -7.052 -0.594 1.00 0.00 C ATOM 1041 SG CYS A 79 1.071 -6.011 -0.341 1.00 0.00 S ATOM 0 H CYS A 79 1.159 -8.882 0.587 1.00 0.00 H new ATOM 0 HA CYS A 79 1.954 -8.385 -2.179 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.074 -7.147 0.355 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.220 -6.541 -1.283 1.00 0.00 H new ATOM 1046 N GLU A 80 4.486 -8.927 -1.921 1.00 0.00 N ATOM 1047 CA GLU A 80 5.769 -9.591 -1.981 1.00 0.00 C ATOM 1048 C GLU A 80 6.829 -8.618 -2.490 1.00 0.00 C ATOM 1049 O GLU A 80 6.571 -7.847 -3.415 1.00 0.00 O ATOM 1050 CB GLU A 80 5.690 -10.824 -2.881 1.00 0.00 C ATOM 1051 CG GLU A 80 5.428 -10.498 -4.343 1.00 0.00 C ATOM 1052 CD GLU A 80 6.407 -11.181 -5.276 1.00 0.00 C ATOM 1053 OE1 GLU A 80 7.626 -10.944 -5.137 1.00 0.00 O ATOM 1054 OE2 GLU A 80 5.956 -11.954 -6.148 1.00 0.00 O ATOM 0 H GLU A 80 4.382 -8.165 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 80 6.047 -9.921 -0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.624 -11.380 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.899 -11.479 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.413 -10.800 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.486 -9.419 -4.487 1.00 0.00 H new ATOM 1061 N GLU A 81 8.016 -8.635 -1.883 1.00 0.00 N ATOM 1062 CA GLU A 81 9.075 -7.739 -2.286 1.00 0.00 C ATOM 1063 C GLU A 81 9.432 -7.963 -3.744 1.00 0.00 C ATOM 1064 O GLU A 81 9.879 -9.042 -4.127 1.00 0.00 O ATOM 1065 CB GLU A 81 10.293 -7.936 -1.389 1.00 0.00 C ATOM 1066 CG GLU A 81 10.572 -9.379 -1.045 1.00 0.00 C ATOM 1067 CD GLU A 81 10.547 -9.643 0.448 1.00 0.00 C ATOM 1068 OE1 GLU A 81 9.539 -9.290 1.096 1.00 0.00 O ATOM 1069 OE2 GLU A 81 11.535 -10.201 0.969 1.00 0.00 O ATOM 0 H GLU A 81 8.258 -9.261 -1.114 1.00 0.00 H new ATOM 0 HA GLU A 81 8.730 -6.711 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.168 -7.515 -1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.147 -7.374 -0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.833 -10.014 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.547 -9.661 -1.443 1.00 0.00 H new ATOM 1076 N ASP A 82 9.212 -6.938 -4.555 1.00 0.00 N ATOM 1077 CA ASP A 82 9.479 -7.020 -5.967 1.00 0.00 C ATOM 1078 C ASP A 82 10.829 -6.389 -6.322 1.00 0.00 C ATOM 1079 O ASP A 82 11.006 -5.173 -6.267 1.00 0.00 O ATOM 1080 CB ASP A 82 8.339 -6.363 -6.750 1.00 0.00 C ATOM 1081 CG ASP A 82 8.123 -4.925 -6.362 1.00 0.00 C ATOM 1082 OD1 ASP A 82 8.952 -4.396 -5.611 1.00 0.00 O ATOM 1083 OD2 ASP A 82 7.136 -4.319 -6.830 1.00 0.00 O ATOM 0 H ASP A 82 8.846 -6.037 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 82 9.536 -8.072 -6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.557 -6.419 -7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.419 -6.923 -6.583 1.00 0.00 H new ATOM 1088 N PRO A 83 11.800 -7.236 -6.697 1.00 0.00 N ATOM 1089 CA PRO A 83 13.136 -6.817 -7.086 1.00 0.00 C ATOM 1090 C PRO A 83 13.057 -5.838 -8.224 1.00 0.00 C ATOM 1091 O PRO A 83 13.993 -5.107 -8.534 1.00 0.00 O ATOM 1092 CB PRO A 83 13.802 -8.122 -7.526 1.00 0.00 C ATOM 1093 CG PRO A 83 13.053 -9.171 -6.797 1.00 0.00 C ATOM 1094 CD PRO A 83 11.643 -8.671 -6.773 1.00 0.00 C ATOM 0 HA PRO A 83 13.686 -6.315 -6.290 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.734 -8.260 -8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.861 -8.136 -7.269 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.125 -10.134 -7.302 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.443 -9.310 -5.789 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.095 -8.969 -7.667 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.092 -9.061 -5.917 1.00 0.00 H new ATOM 1102 N ALA A 84 11.900 -5.828 -8.825 1.00 0.00 N ATOM 1103 CA ALA A 84 11.608 -4.951 -9.897 1.00 0.00 C ATOM 1104 C ALA A 84 11.464 -3.531 -9.386 1.00 0.00 C ATOM 1105 O ALA A 84 11.673 -2.565 -10.120 1.00 0.00 O ATOM 1106 CB ALA A 84 10.322 -5.419 -10.534 1.00 0.00 C ATOM 0 H ALA A 84 11.128 -6.444 -8.571 1.00 0.00 H new ATOM 0 HA ALA A 84 12.415 -4.959 -10.630 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.068 -4.762 -11.366 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.447 -6.438 -10.901 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.521 -5.395 -9.796 1.00 0.00 H new ATOM 1112 N CYS A 85 11.027 -3.417 -8.135 1.00 0.00 N ATOM 1113 CA CYS A 85 10.770 -2.122 -7.554 1.00 0.00 C ATOM 1114 C CYS A 85 11.748 -1.621 -6.459 1.00 0.00 C ATOM 1115 O CYS A 85 11.853 -0.402 -6.326 1.00 0.00 O ATOM 1116 CB CYS A 85 9.328 -2.055 -7.053 1.00 0.00 C ATOM 1117 SG CYS A 85 8.191 -1.103 -8.111 1.00 0.00 S ATOM 0 H CYS A 85 10.847 -4.206 -7.515 1.00 0.00 H new ATOM 0 HA CYS A 85 10.946 -1.429 -8.377 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.945 -3.071 -6.955 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.326 -1.616 -6.055 1.00 0.00 H new ATOM 1122 N ASP A 86 12.455 -2.461 -5.638 1.00 0.00 N ATOM 1123 CA ASP A 86 13.323 -1.807 -4.601 1.00 0.00 C ATOM 1124 C ASP A 86 14.076 -2.623 -3.508 1.00 0.00 C ATOM 1125 O ASP A 86 15.034 -2.089 -2.948 1.00 0.00 O ATOM 1126 CB ASP A 86 12.437 -0.889 -3.774 1.00 0.00 C ATOM 1127 CG ASP A 86 13.197 0.253 -3.128 1.00 0.00 C ATOM 1128 OD1 ASP A 86 13.958 -0.005 -2.173 1.00 0.00 O ATOM 1129 OD2 ASP A 86 13.027 1.406 -3.576 1.00 0.00 O ATOM 0 H ASP A 86 12.451 -3.481 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 86 14.104 -1.397 -5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.653 -0.480 -4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.944 -1.474 -2.997 1.00 0.00 H new ATOM 1134 N PRO A 87 13.628 -3.802 -3.052 1.00 0.00 N ATOM 1135 CA PRO A 87 14.235 -4.484 -1.910 1.00 0.00 C ATOM 1136 C PRO A 87 15.030 -5.684 -2.310 1.00 0.00 C ATOM 1137 O PRO A 87 16.261 -5.679 -2.320 1.00 0.00 O ATOM 1138 CB PRO A 87 12.982 -4.907 -1.129 1.00 0.00 C ATOM 1139 CG PRO A 87 11.844 -4.710 -2.087 1.00 0.00 C ATOM 1140 CD PRO A 87 12.464 -4.543 -3.443 1.00 0.00 C ATOM 0 HA PRO A 87 14.944 -3.863 -1.362 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.050 -5.946 -0.805 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.853 -4.301 -0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.168 -5.565 -2.070 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.255 -3.833 -1.817 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.707 -5.494 -3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.826 -3.995 -4.136 1.00 0.00 H new ATOM 1148 N GLU A 88 14.293 -6.689 -2.714 1.00 0.00 N ATOM 1149 CA GLU A 88 14.881 -7.898 -3.215 1.00 0.00 C ATOM 1150 C GLU A 88 15.521 -7.527 -4.549 1.00 0.00 C ATOM 1151 O GLU A 88 16.238 -8.301 -5.184 1.00 0.00 O ATOM 1152 CB GLU A 88 13.797 -8.973 -3.386 1.00 0.00 C ATOM 1153 CG GLU A 88 14.343 -10.383 -3.544 1.00 0.00 C ATOM 1154 CD GLU A 88 13.252 -11.434 -3.477 1.00 0.00 C ATOM 1155 OE1 GLU A 88 12.476 -11.547 -4.449 1.00 0.00 O ATOM 1156 OE2 GLU A 88 13.172 -12.141 -2.451 1.00 0.00 O ATOM 0 H GLU A 88 13.273 -6.689 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 88 15.625 -8.311 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.134 -8.946 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.192 -8.729 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.864 -10.464 -4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.078 -10.575 -2.762 1.00 0.00 H new ATOM 1163 N ALA A 89 15.231 -6.279 -4.914 1.00 0.00 N ATOM 1164 CA ALA A 89 15.697 -5.617 -6.099 1.00 0.00 C ATOM 1165 C ALA A 89 17.153 -5.199 -5.980 1.00 0.00 C ATOM 1166 O ALA A 89 17.916 -5.728 -5.171 1.00 0.00 O ATOM 1167 CB ALA A 89 14.846 -4.370 -6.274 1.00 0.00 C ATOM 0 H ALA A 89 14.629 -5.681 -4.348 1.00 0.00 H new ATOM 0 HA ALA A 89 15.618 -6.298 -6.946 1.00 0.00 H new ATOM 0 HB1 ALA A 89 15.167 -3.833 -7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.799 -4.656 -6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.961 -3.726 -5.402 1.00 0.00 H new ATOM 1173 N ALA A 90 17.490 -4.191 -6.764 1.00 0.00 N ATOM 1174 CA ALA A 90 18.794 -3.586 -6.757 1.00 0.00 C ATOM 1175 C ALA A 90 18.968 -2.876 -5.431 1.00 0.00 C ATOM 1176 O ALA A 90 18.053 -2.894 -4.608 1.00 0.00 O ATOM 1177 CB ALA A 90 18.885 -2.573 -7.881 1.00 0.00 C ATOM 0 H ALA A 90 16.847 -3.768 -7.433 1.00 0.00 H new ATOM 0 HA ALA A 90 19.567 -4.342 -6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.873 -2.113 -7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 90 18.721 -3.073 -8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 90 18.126 -1.803 -7.740 1.00 0.00 H new ATOM 1183 N PHE A 91 20.098 -2.217 -5.218 1.00 0.00 N ATOM 1184 CA PHE A 91 20.274 -1.483 -3.974 1.00 0.00 C ATOM 1185 C PHE A 91 19.406 -0.233 -4.063 1.00 0.00 C ATOM 1186 O PHE A 91 19.893 0.897 -4.049 1.00 0.00 O ATOM 1187 CB PHE A 91 21.744 -1.101 -3.757 1.00 0.00 C ATOM 1188 CG PHE A 91 22.408 -0.511 -4.972 1.00 0.00 C ATOM 1189 CD1 PHE A 91 23.026 -1.327 -5.904 1.00 0.00 C ATOM 1190 CD2 PHE A 91 22.415 0.860 -5.180 1.00 0.00 C ATOM 1191 CE1 PHE A 91 23.638 -0.790 -7.020 1.00 0.00 C ATOM 1192 CE2 PHE A 91 23.026 1.403 -6.294 1.00 0.00 C ATOM 1193 CZ PHE A 91 23.638 0.576 -7.216 1.00 0.00 C ATOM 0 H PHE A 91 20.884 -2.175 -5.867 1.00 0.00 H new ATOM 0 HA PHE A 91 19.980 -2.103 -3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 91 21.806 -0.385 -2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 91 22.297 -1.988 -3.447 1.00 0.00 H new ATOM 0 HD1 PHE A 91 23.030 -2.397 -5.757 1.00 0.00 H new ATOM 0 HD2 PHE A 91 21.937 1.511 -4.463 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.116 -1.439 -7.739 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.025 2.473 -6.444 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.115 0.998 -8.088 1.00 0.00 H new ATOM 1203 N SER A 92 18.100 -0.476 -4.178 1.00 0.00 N ATOM 1204 CA SER A 92 17.106 0.571 -4.305 1.00 0.00 C ATOM 1205 C SER A 92 16.442 0.869 -2.963 1.00 0.00 C ATOM 1206 O SER A 92 16.686 0.110 -2.002 1.00 0.00 O ATOM 1207 CB SER A 92 16.063 0.148 -5.354 1.00 0.00 C ATOM 1208 OG SER A 92 14.831 0.816 -5.151 1.00 0.00 O ATOM 1209 OXT SER A 92 15.684 1.858 -2.886 1.00 0.00 O ATOM 0 H SER A 92 17.706 -1.417 -4.185 1.00 0.00 H new ATOM 0 HA SER A 92 17.595 1.489 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.439 0.368 -6.353 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.908 -0.930 -5.302 1.00 0.00 H new ATOM 0 HG SER A 92 14.955 1.543 -4.505 1.00 0.00 H new TER 1215 SER A 92