USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 669 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 6 THR OG1 : rot -111:sc= -1.18 USER MOD Set 1.2: B 191 THR OG1 : rot 171:sc= 1.07 USER MOD Single : A 1 ILE N :NH3+ -157:sc= -0.137 (180deg=-0.722) USER MOD Single : A 10 THR OG1 : rot -39:sc= 0.917 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 165:sc= -0.101 (180deg=-0.443) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.17) USER MOD Single : A 21 TYR OH : rot 180:sc= -1.46! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 62:sc= 0.0696 USER MOD Single : A 31 SER OG : rot 26:sc= 1.27 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -13:sc= 1.47 USER MOD Single : A 47 THR OG1 : rot -51:sc= 0.0984 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : A 55 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.66) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 125:sc= 0.335 USER MOD Single : A 61 ASN : amide:sc= 0.115 K(o=0.11,f=-3.2!) USER MOD Single : A 63 ASN : amide:sc= -6.06! C(o=-6.1!,f=-6.5!) USER MOD Single : A 67 THR OG1 : rot 128:sc= 1.28 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.019) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ 146:sc= 0.0212 (180deg=-0.149) USER MOD Single : B 186 HIS : no HE2:sc= 0.0486 K(o=0.049,f=-3.3!) USER MOD Single : B 189 TYR OH : rot -149:sc= -1.64 USER MOD Single : B 190 TYR OH : rot 52:sc= -3.3! USER MOD Single : B 196 THR OG1 : rot 10:sc= -1.67 USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 6.843 9.793 7.667 1.00 0.00 N ATOM 2 CA ILE A 1 6.606 10.638 6.468 1.00 0.00 C ATOM 3 C ILE A 1 5.755 9.902 5.439 1.00 0.00 C ATOM 4 O ILE A 1 5.834 8.680 5.314 1.00 0.00 O ATOM 5 CB ILE A 1 7.933 11.059 5.806 1.00 0.00 C ATOM 6 CG1 ILE A 1 8.945 11.500 6.866 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.691 12.175 4.800 1.00 0.00 C ATOM 8 CD1 ILE A 1 8.521 12.735 7.632 1.00 0.00 C ATOM 0 H1 ILE A 1 7.065 10.400 8.481 1.00 0.00 H new ATOM 0 H2 ILE A 1 5.989 9.236 7.873 1.00 0.00 H new ATOM 0 H3 ILE A 1 7.641 9.150 7.487 1.00 0.00 H new ATOM 0 HA ILE A 1 6.077 11.528 6.808 1.00 0.00 H new ATOM 0 HB ILE A 1 8.345 10.200 5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 1 9.101 10.682 7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 1 9.903 11.693 6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 1 8.637 12.462 4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 1 7.004 11.827 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 1 7.259 13.036 5.309 1.00 0.00 H new ATOM 0 HD11 ILE A 1 9.286 12.989 8.366 1.00 0.00 H new ATOM 0 HD12 ILE A 1 8.393 13.567 6.939 1.00 0.00 H new ATOM 0 HD13 ILE A 1 7.578 12.540 8.144 1.00 0.00 H new ATOM 22 N ARG A 2 4.943 10.653 4.702 1.00 0.00 N ATOM 23 CA ARG A 2 4.079 10.071 3.681 1.00 0.00 C ATOM 24 C ARG A 2 4.907 9.400 2.588 1.00 0.00 C ATOM 25 O ARG A 2 6.127 9.555 2.540 1.00 0.00 O ATOM 26 CB ARG A 2 3.179 11.148 3.071 1.00 0.00 C ATOM 27 CG ARG A 2 3.944 12.226 2.319 1.00 0.00 C ATOM 28 CD ARG A 2 3.962 13.539 3.088 1.00 0.00 C ATOM 29 NE ARG A 2 4.933 14.482 2.536 1.00 0.00 N ATOM 30 CZ ARG A 2 5.188 15.677 3.064 1.00 0.00 C ATOM 31 NH1 ARG A 2 4.549 16.080 4.156 1.00 0.00 N ATOM 32 NH2 ARG A 2 6.086 16.472 2.499 1.00 0.00 N ATOM 0 H ARG A 2 4.865 11.666 4.793 1.00 0.00 H new ATOM 0 HA ARG A 2 3.455 9.313 4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.471 10.675 2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.596 11.615 3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.967 11.892 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.488 12.382 1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.968 13.986 3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.200 13.344 4.134 1.00 0.00 H new ATOM 0 HE ARG A 2 5.445 14.208 1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.858 15.473 4.596 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.750 16.997 4.555 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.581 16.168 1.661 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.282 17.388 2.903 1.00 0.00 H new ATOM 46 N CYS A 3 4.238 8.656 1.712 1.00 0.00 N ATOM 47 CA CYS A 3 4.921 7.966 0.623 1.00 0.00 C ATOM 48 C CYS A 3 3.946 7.570 -0.481 1.00 0.00 C ATOM 49 O CYS A 3 2.799 7.212 -0.211 1.00 0.00 O ATOM 50 CB CYS A 3 5.637 6.722 1.146 1.00 0.00 C ATOM 51 SG CYS A 3 6.700 5.916 -0.091 1.00 0.00 S ATOM 0 H CYS A 3 3.228 8.516 1.735 1.00 0.00 H new ATOM 0 HA CYS A 3 5.654 8.656 0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.243 6.998 2.009 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.894 6.006 1.495 1.00 0.00 H new ATOM 56 N PHE A 4 4.418 7.632 -1.727 1.00 0.00 N ATOM 57 CA PHE A 4 3.601 7.279 -2.888 1.00 0.00 C ATOM 58 C PHE A 4 2.185 7.850 -2.759 1.00 0.00 C ATOM 59 O PHE A 4 1.945 9.011 -3.090 1.00 0.00 O ATOM 60 CB PHE A 4 3.554 5.758 -3.057 1.00 0.00 C ATOM 61 CG PHE A 4 4.637 5.209 -3.941 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.974 5.376 -3.614 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.316 4.519 -5.100 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.968 4.863 -4.425 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.307 4.006 -5.915 1.00 0.00 C ATOM 66 CZ PHE A 4 6.635 4.177 -5.577 1.00 0.00 C ATOM 0 H PHE A 4 5.367 7.925 -1.958 1.00 0.00 H new ATOM 0 HA PHE A 4 4.059 7.717 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.629 5.291 -2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.585 5.478 -3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.241 5.913 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.279 4.381 -5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.006 4.998 -4.158 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.043 3.472 -6.816 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.411 3.776 -6.212 1.00 0.00 H new ATOM 76 N ILE A 5 1.255 7.034 -2.267 1.00 0.00 N ATOM 77 CA ILE A 5 -0.126 7.469 -2.086 1.00 0.00 C ATOM 78 C ILE A 5 -0.643 7.099 -0.697 1.00 0.00 C ATOM 79 O ILE A 5 -0.711 7.946 0.194 1.00 0.00 O ATOM 80 CB ILE A 5 -1.078 6.875 -3.152 1.00 0.00 C ATOM 81 CG1 ILE A 5 -0.516 5.564 -3.725 1.00 0.00 C ATOM 82 CG2 ILE A 5 -1.338 7.895 -4.255 1.00 0.00 C ATOM 83 CD1 ILE A 5 0.519 5.755 -4.813 1.00 0.00 C ATOM 0 H ILE A 5 1.433 6.069 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.118 8.553 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.029 6.640 -2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.072 4.987 -2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.340 4.972 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.009 7.464 -4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.796 8.786 -3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.395 8.165 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.864 4.782 -5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.076 6.303 -5.645 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.364 6.318 -4.417 1.00 0.00 H new ATOM 95 N THR A 6 -1.012 5.833 -0.517 1.00 0.00 N ATOM 96 CA THR A 6 -1.529 5.365 0.765 1.00 0.00 C ATOM 97 C THR A 6 -1.409 3.843 0.889 1.00 0.00 C ATOM 98 O THR A 6 -2.126 3.101 0.217 1.00 0.00 O ATOM 99 CB THR A 6 -2.989 5.793 0.930 1.00 0.00 C ATOM 100 OG1 THR A 6 -3.438 6.495 -0.216 1.00 0.00 O ATOM 101 CG2 THR A 6 -3.217 6.687 2.126 1.00 0.00 C ATOM 0 H THR A 6 -0.963 5.116 -1.240 1.00 0.00 H new ATOM 0 HA THR A 6 -0.931 5.816 1.556 1.00 0.00 H new ATOM 0 HB THR A 6 -3.546 4.867 1.073 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.583 7.437 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.272 6.954 2.185 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.924 6.161 3.035 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.619 7.593 2.023 1.00 0.00 H new ATOM 109 N PRO A 7 -0.488 3.360 1.747 1.00 0.00 N ATOM 110 CA PRO A 7 -0.255 1.921 1.960 1.00 0.00 C ATOM 111 C PRO A 7 -1.521 1.133 2.306 1.00 0.00 C ATOM 112 O PRO A 7 -2.637 1.567 2.021 1.00 0.00 O ATOM 113 CB PRO A 7 0.725 1.897 3.134 1.00 0.00 C ATOM 114 CG PRO A 7 1.451 3.189 3.025 1.00 0.00 C ATOM 115 CD PRO A 7 0.420 4.182 2.570 1.00 0.00 C ATOM 0 HA PRO A 7 0.113 1.444 1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.203 1.812 4.087 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.407 1.049 3.067 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.883 3.480 3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.273 3.120 2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.100 4.639 3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.866 4.992 1.993 1.00 0.00 H new ATOM 123 N ASP A 8 -1.317 -0.041 2.914 1.00 0.00 N ATOM 124 CA ASP A 8 -2.403 -0.946 3.314 1.00 0.00 C ATOM 125 C ASP A 8 -3.713 -0.213 3.596 1.00 0.00 C ATOM 126 O ASP A 8 -3.764 0.680 4.443 1.00 0.00 O ATOM 127 CB ASP A 8 -1.987 -1.734 4.557 1.00 0.00 C ATOM 128 CG ASP A 8 -0.722 -2.540 4.337 1.00 0.00 C ATOM 129 OD1 ASP A 8 0.139 -2.091 3.553 1.00 0.00 O ATOM 130 OD2 ASP A 8 -0.594 -3.622 4.949 1.00 0.00 O ATOM 0 H ASP A 8 -0.388 -0.393 3.144 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.581 -1.618 2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.834 -1.044 5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.796 -2.405 4.845 1.00 0.00 H new ATOM 135 N ILE A 9 -4.774 -0.607 2.890 1.00 0.00 N ATOM 136 CA ILE A 9 -6.085 0.006 3.075 1.00 0.00 C ATOM 137 C ILE A 9 -6.020 1.512 2.821 1.00 0.00 C ATOM 138 O ILE A 9 -4.950 2.116 2.895 1.00 0.00 O ATOM 139 CB ILE A 9 -6.612 -0.249 4.498 1.00 0.00 C ATOM 140 CG1 ILE A 9 -6.660 -1.752 4.773 1.00 0.00 C ATOM 141 CG2 ILE A 9 -7.988 0.365 4.662 1.00 0.00 C ATOM 142 CD1 ILE A 9 -6.892 -2.094 6.229 1.00 0.00 C ATOM 0 H ILE A 9 -4.749 -1.346 2.187 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.766 -0.449 2.356 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.938 0.217 5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.453 -2.198 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.722 -2.203 4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.352 0.179 5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.930 1.440 4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.674 -0.081 3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.914 -3.177 6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.086 -1.678 6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.843 -1.673 6.554 1.00 0.00 H new ATOM 154 N THR A 10 -7.163 2.117 2.520 1.00 0.00 N ATOM 155 CA THR A 10 -7.217 3.551 2.261 1.00 0.00 C ATOM 156 C THR A 10 -6.985 4.345 3.546 1.00 0.00 C ATOM 157 O THR A 10 -7.878 5.043 4.027 1.00 0.00 O ATOM 158 CB THR A 10 -8.565 3.929 1.642 1.00 0.00 C ATOM 159 OG1 THR A 10 -9.601 3.843 2.603 1.00 0.00 O ATOM 160 CG2 THR A 10 -8.953 3.052 0.469 1.00 0.00 C ATOM 0 H THR A 10 -8.062 1.639 2.449 1.00 0.00 H new ATOM 0 HA THR A 10 -6.423 3.800 1.557 1.00 0.00 H new ATOM 0 HB THR A 10 -8.441 4.952 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.450 3.064 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.918 3.374 0.078 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.198 3.135 -0.313 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.022 2.015 0.797 1.00 0.00 H new ATOM 168 N SER A 11 -5.778 4.233 4.095 1.00 0.00 N ATOM 169 CA SER A 11 -5.421 4.939 5.323 1.00 0.00 C ATOM 170 C SER A 11 -4.413 6.048 5.034 1.00 0.00 C ATOM 171 O SER A 11 -3.261 5.780 4.696 1.00 0.00 O ATOM 172 CB SER A 11 -4.842 3.962 6.347 1.00 0.00 C ATOM 173 OG SER A 11 -5.604 2.768 6.400 1.00 0.00 O ATOM 0 H SER A 11 -5.029 3.659 3.708 1.00 0.00 H new ATOM 0 HA SER A 11 -6.325 5.389 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.810 3.727 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.824 4.430 7.331 1.00 0.00 H new ATOM 0 HG SER A 11 -5.213 2.159 7.061 1.00 0.00 H new ATOM 179 N LYS A 12 -4.862 7.293 5.158 1.00 0.00 N ATOM 180 CA LYS A 12 -4.010 8.449 4.897 1.00 0.00 C ATOM 181 C LYS A 12 -2.753 8.443 5.767 1.00 0.00 C ATOM 182 O LYS A 12 -2.827 8.304 6.988 1.00 0.00 O ATOM 183 CB LYS A 12 -4.794 9.744 5.125 1.00 0.00 C ATOM 184 CG LYS A 12 -5.135 10.004 6.584 1.00 0.00 C ATOM 185 CD LYS A 12 -4.225 11.063 7.191 1.00 0.00 C ATOM 186 CE LYS A 12 -4.355 12.395 6.468 1.00 0.00 C ATOM 187 NZ LYS A 12 -5.773 12.719 6.145 1.00 0.00 N ATOM 0 H LYS A 12 -5.814 7.528 5.439 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.692 8.391 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.212 10.583 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.717 9.706 4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.173 10.326 6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.044 9.077 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.472 11.195 8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.190 10.723 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.935 13.187 7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.771 12.367 5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.850 13.724 5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.089 12.134 5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.371 12.525 6.974 1.00 0.00 H new ATOM 201 N ASP A 13 -1.602 8.615 5.120 1.00 0.00 N ATOM 202 CA ASP A 13 -0.315 8.655 5.811 1.00 0.00 C ATOM 203 C ASP A 13 0.040 7.314 6.454 1.00 0.00 C ATOM 204 O ASP A 13 0.992 7.233 7.230 1.00 0.00 O ATOM 205 CB ASP A 13 -0.322 9.756 6.875 1.00 0.00 C ATOM 206 CG ASP A 13 0.761 10.792 6.640 1.00 0.00 C ATOM 207 OD1 ASP A 13 0.756 11.422 5.562 1.00 0.00 O ATOM 208 OD2 ASP A 13 1.614 10.972 7.535 1.00 0.00 O ATOM 0 H ASP A 13 -1.535 8.730 4.109 1.00 0.00 H new ATOM 0 HA ASP A 13 0.447 8.871 5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.295 10.246 6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.185 9.308 7.859 1.00 0.00 H new ATOM 213 N CYS A 14 -0.716 6.265 6.130 1.00 0.00 N ATOM 214 CA CYS A 14 -0.462 4.934 6.682 1.00 0.00 C ATOM 215 C CYS A 14 -0.306 4.986 8.209 1.00 0.00 C ATOM 216 O CYS A 14 -0.391 6.056 8.811 1.00 0.00 O ATOM 217 CB CYS A 14 0.780 4.321 6.015 1.00 0.00 C ATOM 218 SG CYS A 14 2.374 4.755 6.794 1.00 0.00 S ATOM 0 H CYS A 14 -1.508 6.311 5.489 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.321 4.298 6.468 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.676 3.236 6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.806 4.636 4.972 1.00 0.00 H new ATOM 223 N PRO A 15 -0.091 3.828 8.860 1.00 0.00 N ATOM 224 CA PRO A 15 0.060 3.750 10.310 1.00 0.00 C ATOM 225 C PRO A 15 1.492 4.025 10.763 1.00 0.00 C ATOM 226 O PRO A 15 1.722 4.484 11.882 1.00 0.00 O ATOM 227 CB PRO A 15 -0.334 2.297 10.635 1.00 0.00 C ATOM 228 CG PRO A 15 -0.605 1.629 9.318 1.00 0.00 C ATOM 229 CD PRO A 15 0.005 2.501 8.257 1.00 0.00 C ATOM 0 HA PRO A 15 -0.548 4.496 10.821 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.467 1.788 11.172 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.216 2.267 11.275 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.170 0.630 9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.677 1.514 9.156 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.037 2.223 8.045 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.541 2.440 7.316 1.00 0.00 H new ATOM 237 N ASN A 16 2.450 3.734 9.890 1.00 0.00 N ATOM 238 CA ASN A 16 3.860 3.939 10.199 1.00 0.00 C ATOM 239 C ASN A 16 4.668 4.148 8.921 1.00 0.00 C ATOM 240 O ASN A 16 4.586 3.346 7.993 1.00 0.00 O ATOM 241 CB ASN A 16 4.401 2.733 10.963 1.00 0.00 C ATOM 242 CG ASN A 16 5.519 3.103 11.917 1.00 0.00 C ATOM 243 OD1 ASN A 16 5.283 3.707 12.964 1.00 0.00 O ATOM 244 ND2 ASN A 16 6.746 2.743 11.559 1.00 0.00 N ATOM 0 H ASN A 16 2.275 3.354 8.960 1.00 0.00 H new ATOM 0 HA ASN A 16 3.954 4.832 10.817 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.589 2.268 11.523 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.765 1.991 10.253 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.539 2.966 12.161 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.896 2.244 10.682 1.00 0.00 H new ATOM 251 N GLY A 17 5.446 5.227 8.876 1.00 0.00 N ATOM 252 CA GLY A 17 6.247 5.507 7.697 1.00 0.00 C ATOM 253 C GLY A 17 7.534 6.245 8.011 1.00 0.00 C ATOM 254 O GLY A 17 7.744 6.697 9.137 1.00 0.00 O ATOM 0 H GLY A 17 5.536 5.908 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.487 4.568 7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.657 6.099 6.997 1.00 0.00 H new ATOM 258 N HIS A 18 8.396 6.366 7.004 1.00 0.00 N ATOM 259 CA HIS A 18 9.675 7.054 7.154 1.00 0.00 C ATOM 260 C HIS A 18 10.394 7.140 5.809 1.00 0.00 C ATOM 261 O HIS A 18 10.526 8.219 5.231 1.00 0.00 O ATOM 262 CB HIS A 18 10.555 6.330 8.175 1.00 0.00 C ATOM 263 CG HIS A 18 11.327 7.257 9.063 1.00 0.00 C ATOM 264 ND1 HIS A 18 12.241 6.818 9.998 1.00 0.00 N ATOM 265 CD2 HIS A 18 11.317 8.608 9.156 1.00 0.00 C ATOM 266 CE1 HIS A 18 12.759 7.858 10.627 1.00 0.00 C ATOM 267 NE2 HIS A 18 12.215 8.955 10.134 1.00 0.00 N ATOM 0 H HIS A 18 8.230 5.993 6.069 1.00 0.00 H new ATOM 0 HA HIS A 18 9.482 8.065 7.514 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.928 5.687 8.792 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.253 5.681 7.646 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.715 9.286 8.570 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.501 7.818 11.411 1.00 0.00 H new ATOM 0 HE2 HIS A 18 12.428 9.907 10.432 1.00 0.00 H new ATOM 276 N VAL A 19 10.843 5.993 5.311 1.00 0.00 N ATOM 277 CA VAL A 19 11.534 5.930 4.024 1.00 0.00 C ATOM 278 C VAL A 19 10.633 5.293 2.978 1.00 0.00 C ATOM 279 O VAL A 19 9.958 4.301 3.254 1.00 0.00 O ATOM 280 CB VAL A 19 12.858 5.125 4.098 1.00 0.00 C ATOM 281 CG1 VAL A 19 14.054 6.052 3.945 1.00 0.00 C ATOM 282 CG2 VAL A 19 12.953 4.340 5.398 1.00 0.00 C ATOM 0 H VAL A 19 10.742 5.092 5.778 1.00 0.00 H new ATOM 0 HA VAL A 19 11.777 6.956 3.749 1.00 0.00 H new ATOM 0 HB VAL A 19 12.863 4.411 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.974 5.471 3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.001 6.558 2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.045 6.793 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.891 3.786 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.917 5.029 6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.118 3.642 5.464 1.00 0.00 H new ATOM 292 N CYS A 20 10.630 5.851 1.774 1.00 0.00 N ATOM 293 CA CYS A 20 9.811 5.303 0.706 1.00 0.00 C ATOM 294 C CYS A 20 10.419 4.002 0.226 1.00 0.00 C ATOM 295 O CYS A 20 11.228 3.987 -0.702 1.00 0.00 O ATOM 296 CB CYS A 20 9.689 6.294 -0.454 1.00 0.00 C ATOM 297 SG CYS A 20 8.161 7.286 -0.426 1.00 0.00 S ATOM 0 H CYS A 20 11.178 6.672 1.517 1.00 0.00 H new ATOM 0 HA CYS A 20 8.809 5.116 1.091 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.547 6.966 -0.435 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.736 5.744 -1.394 1.00 0.00 H new ATOM 302 N TYR A 21 10.043 2.908 0.875 1.00 0.00 N ATOM 303 CA TYR A 21 10.583 1.609 0.512 1.00 0.00 C ATOM 304 C TYR A 21 9.529 0.706 -0.102 1.00 0.00 C ATOM 305 O TYR A 21 8.677 0.155 0.588 1.00 0.00 O ATOM 306 CB TYR A 21 11.281 0.948 1.715 1.00 0.00 C ATOM 307 CG TYR A 21 10.376 0.208 2.683 1.00 0.00 C ATOM 308 CD1 TYR A 21 9.166 0.745 3.101 1.00 0.00 C ATOM 309 CD2 TYR A 21 10.750 -1.031 3.190 1.00 0.00 C ATOM 310 CE1 TYR A 21 8.354 0.067 3.991 1.00 0.00 C ATOM 311 CE2 TYR A 21 9.944 -1.713 4.080 1.00 0.00 C ATOM 312 CZ TYR A 21 8.747 -1.160 4.477 1.00 0.00 C ATOM 313 OH TYR A 21 7.942 -1.838 5.363 1.00 0.00 O ATOM 0 H TYR A 21 9.375 2.895 1.646 1.00 0.00 H new ATOM 0 HA TYR A 21 11.337 1.769 -0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 21 12.027 0.248 1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 21 11.818 1.719 2.267 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.854 1.708 2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.688 -1.468 2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.415 0.498 4.304 1.00 0.00 H new ATOM 0 HE2 TYR A 21 10.251 -2.675 4.463 1.00 0.00 H new ATOM 0 HH TYR A 21 8.366 -2.687 5.606 1.00 0.00 H new ATOM 323 N THR A 22 9.608 0.550 -1.420 1.00 0.00 N ATOM 324 CA THR A 22 8.665 -0.301 -2.133 1.00 0.00 C ATOM 325 C THR A 22 8.928 -1.750 -1.768 1.00 0.00 C ATOM 326 O THR A 22 9.459 -2.520 -2.566 1.00 0.00 O ATOM 327 CB THR A 22 8.783 -0.081 -3.645 1.00 0.00 C ATOM 328 OG1 THR A 22 8.220 1.166 -4.013 1.00 0.00 O ATOM 329 CG2 THR A 22 8.105 -1.150 -4.478 1.00 0.00 C ATOM 0 H THR A 22 10.309 0.998 -2.010 1.00 0.00 H new ATOM 0 HA THR A 22 7.647 -0.043 -1.842 1.00 0.00 H new ATOM 0 HB THR A 22 9.853 -0.117 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.305 1.291 -4.981 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.233 -0.923 -5.536 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.551 -2.120 -4.259 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.042 -1.178 -4.239 1.00 0.00 H new ATOM 337 N LYS A 23 8.571 -2.089 -0.536 1.00 0.00 N ATOM 338 CA LYS A 23 8.781 -3.428 0.002 1.00 0.00 C ATOM 339 C LYS A 23 7.705 -4.413 -0.431 1.00 0.00 C ATOM 340 O LYS A 23 6.734 -4.642 0.290 1.00 0.00 O ATOM 341 CB LYS A 23 8.846 -3.376 1.531 1.00 0.00 C ATOM 342 CG LYS A 23 8.987 -4.744 2.183 1.00 0.00 C ATOM 343 CD LYS A 23 10.093 -4.757 3.225 1.00 0.00 C ATOM 344 CE LYS A 23 10.848 -6.077 3.224 1.00 0.00 C ATOM 345 NZ LYS A 23 11.676 -6.245 4.450 1.00 0.00 N ATOM 0 H LYS A 23 8.128 -1.444 0.119 1.00 0.00 H new ATOM 0 HA LYS A 23 9.728 -3.785 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.689 -2.752 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.944 -2.894 1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.043 -5.024 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.198 -5.492 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.787 -3.940 3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.665 -4.583 4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.138 -6.901 3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.489 -6.128 2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.174 -7.157 4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.371 -5.473 4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.062 -6.222 5.289 1.00 0.00 H new ATOM 359 N THR A 24 7.915 -5.040 -1.580 1.00 0.00 N ATOM 360 CA THR A 24 6.997 -6.049 -2.064 1.00 0.00 C ATOM 361 C THR A 24 7.278 -7.322 -1.289 1.00 0.00 C ATOM 362 O THR A 24 8.001 -8.209 -1.751 1.00 0.00 O ATOM 363 CB THR A 24 7.174 -6.278 -3.566 1.00 0.00 C ATOM 364 OG1 THR A 24 8.403 -6.930 -3.832 1.00 0.00 O ATOM 365 CG2 THR A 24 7.148 -4.999 -4.375 1.00 0.00 C ATOM 0 H THR A 24 8.713 -4.865 -2.190 1.00 0.00 H new ATOM 0 HA THR A 24 5.966 -5.727 -1.914 1.00 0.00 H new ATOM 0 HB THR A 24 6.326 -6.894 -3.866 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.406 -7.810 -3.401 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.279 -5.234 -5.431 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.191 -4.497 -4.231 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.955 -4.344 -4.046 1.00 0.00 H new ATOM 373 N TRP A 25 6.745 -7.359 -0.077 1.00 0.00 N ATOM 374 CA TRP A 25 6.953 -8.473 0.834 1.00 0.00 C ATOM 375 C TRP A 25 5.933 -9.581 0.616 1.00 0.00 C ATOM 376 O TRP A 25 4.729 -9.372 0.769 1.00 0.00 O ATOM 377 CB TRP A 25 6.873 -7.961 2.276 1.00 0.00 C ATOM 378 CG TRP A 25 7.145 -9.001 3.320 1.00 0.00 C ATOM 379 CD1 TRP A 25 7.592 -10.274 3.122 1.00 0.00 C ATOM 380 CD2 TRP A 25 6.985 -8.848 4.735 1.00 0.00 C ATOM 381 NE1 TRP A 25 7.728 -10.920 4.327 1.00 0.00 N ATOM 382 CE2 TRP A 25 7.357 -10.066 5.332 1.00 0.00 C ATOM 383 CE3 TRP A 25 6.563 -7.798 5.554 1.00 0.00 C ATOM 384 CZ2 TRP A 25 7.321 -10.262 6.710 1.00 0.00 C ATOM 385 CZ3 TRP A 25 6.527 -7.993 6.922 1.00 0.00 C ATOM 386 CH2 TRP A 25 6.905 -9.217 7.488 1.00 0.00 C ATOM 0 H TRP A 25 6.156 -6.617 0.302 1.00 0.00 H new ATOM 0 HA TRP A 25 7.938 -8.897 0.639 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.586 -7.146 2.399 1.00 0.00 H new ATOM 0 HB3 TRP A 25 5.880 -7.545 2.446 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.808 -10.711 2.158 1.00 0.00 H new ATOM 0 HE1 TRP A 25 8.052 -11.879 4.453 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.270 -6.851 5.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.611 -11.205 7.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 6.202 -7.188 7.565 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.867 -9.338 8.561 1.00 0.00 H new ATOM 397 N CYS A 26 6.425 -10.765 0.272 1.00 0.00 N ATOM 398 CA CYS A 26 5.560 -11.912 0.050 1.00 0.00 C ATOM 399 C CYS A 26 5.351 -12.678 1.350 1.00 0.00 C ATOM 400 O CYS A 26 4.240 -13.105 1.658 1.00 0.00 O ATOM 401 CB CYS A 26 6.157 -12.835 -1.014 1.00 0.00 C ATOM 402 SG CYS A 26 4.922 -13.568 -2.136 1.00 0.00 S ATOM 0 H CYS A 26 7.419 -10.954 0.141 1.00 0.00 H new ATOM 0 HA CYS A 26 4.594 -11.551 -0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.880 -12.272 -1.604 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.704 -13.637 -0.519 1.00 0.00 H new ATOM 407 N ASP A 27 6.427 -12.838 2.118 1.00 0.00 N ATOM 408 CA ASP A 27 6.356 -13.547 3.393 1.00 0.00 C ATOM 409 C ASP A 27 5.997 -15.018 3.192 1.00 0.00 C ATOM 410 O ASP A 27 6.850 -15.895 3.325 1.00 0.00 O ATOM 411 CB ASP A 27 5.331 -12.881 4.316 1.00 0.00 C ATOM 412 CG ASP A 27 5.284 -13.526 5.688 1.00 0.00 C ATOM 413 OD1 ASP A 27 4.716 -14.632 5.804 1.00 0.00 O ATOM 414 OD2 ASP A 27 5.816 -12.925 6.645 1.00 0.00 O ATOM 0 H ASP A 27 7.355 -12.488 1.880 1.00 0.00 H new ATOM 0 HA ASP A 27 7.342 -13.498 3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.575 -11.824 4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.344 -12.936 3.858 1.00 0.00 H new ATOM 419 N ALA A 28 4.731 -15.285 2.878 1.00 0.00 N ATOM 420 CA ALA A 28 4.275 -16.654 2.670 1.00 0.00 C ATOM 421 C ALA A 28 3.094 -16.716 1.703 1.00 0.00 C ATOM 422 O ALA A 28 3.221 -17.221 0.588 1.00 0.00 O ATOM 423 CB ALA A 28 3.900 -17.289 4.001 1.00 0.00 C ATOM 0 H ALA A 28 4.008 -14.575 2.763 1.00 0.00 H new ATOM 0 HA ALA A 28 5.097 -17.213 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.561 -18.311 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.770 -17.298 4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.100 -16.713 4.466 1.00 0.00 H new ATOM 429 N PHE A 29 1.944 -16.210 2.139 1.00 0.00 N ATOM 430 CA PHE A 29 0.742 -16.222 1.311 1.00 0.00 C ATOM 431 C PHE A 29 0.704 -15.024 0.367 1.00 0.00 C ATOM 432 O PHE A 29 0.292 -15.146 -0.787 1.00 0.00 O ATOM 433 CB PHE A 29 -0.509 -16.236 2.193 1.00 0.00 C ATOM 434 CG PHE A 29 -1.271 -17.530 2.130 1.00 0.00 C ATOM 435 CD1 PHE A 29 -1.501 -18.155 0.915 1.00 0.00 C ATOM 436 CD2 PHE A 29 -1.757 -18.120 3.286 1.00 0.00 C ATOM 437 CE1 PHE A 29 -2.202 -19.345 0.854 1.00 0.00 C ATOM 438 CE2 PHE A 29 -2.458 -19.309 3.231 1.00 0.00 C ATOM 439 CZ PHE A 29 -2.681 -19.923 2.013 1.00 0.00 C ATOM 0 H PHE A 29 1.819 -15.787 3.059 1.00 0.00 H new ATOM 0 HA PHE A 29 0.764 -17.128 0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.218 -16.044 3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.167 -15.421 1.891 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.128 -17.708 0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.586 -17.645 4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.375 -19.822 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.832 -19.759 4.139 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.229 -20.853 1.968 1.00 0.00 H new ATOM 449 N CYS A 30 1.133 -13.866 0.862 1.00 0.00 N ATOM 450 CA CYS A 30 1.146 -12.643 0.058 1.00 0.00 C ATOM 451 C CYS A 30 -0.223 -12.390 -0.572 1.00 0.00 C ATOM 452 O CYS A 30 -0.552 -12.967 -1.608 1.00 0.00 O ATOM 453 CB CYS A 30 2.215 -12.712 -1.047 1.00 0.00 C ATOM 454 SG CYS A 30 3.398 -14.096 -0.903 1.00 0.00 S ATOM 0 H CYS A 30 1.476 -13.747 1.815 1.00 0.00 H new ATOM 0 HA CYS A 30 1.388 -11.818 0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.713 -12.784 -2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.774 -11.776 -1.048 1.00 0.00 H new ATOM 459 N SER A 31 -1.019 -11.525 0.053 1.00 0.00 N ATOM 460 CA SER A 31 -2.347 -11.208 -0.464 1.00 0.00 C ATOM 461 C SER A 31 -2.937 -9.977 0.230 1.00 0.00 C ATOM 462 O SER A 31 -2.724 -8.848 -0.212 1.00 0.00 O ATOM 463 CB SER A 31 -3.278 -12.413 -0.303 1.00 0.00 C ATOM 464 OG SER A 31 -3.178 -13.288 -1.413 1.00 0.00 O ATOM 0 H SER A 31 -0.770 -11.035 0.912 1.00 0.00 H new ATOM 0 HA SER A 31 -2.250 -10.975 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.027 -12.951 0.611 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.307 -12.070 -0.198 1.00 0.00 H new ATOM 0 HG SER A 31 -2.296 -13.190 -1.828 1.00 0.00 H new ATOM 470 N ILE A 32 -3.682 -10.198 1.313 1.00 0.00 N ATOM 471 CA ILE A 32 -4.300 -9.104 2.053 1.00 0.00 C ATOM 472 C ILE A 32 -5.358 -8.407 1.205 1.00 0.00 C ATOM 473 O ILE A 32 -5.313 -7.192 1.009 1.00 0.00 O ATOM 474 CB ILE A 32 -3.253 -8.068 2.508 1.00 0.00 C ATOM 475 CG1 ILE A 32 -2.080 -8.764 3.200 1.00 0.00 C ATOM 476 CG2 ILE A 32 -3.891 -7.042 3.433 1.00 0.00 C ATOM 477 CD1 ILE A 32 -2.458 -9.437 4.502 1.00 0.00 C ATOM 0 H ILE A 32 -3.871 -11.125 1.695 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.770 -9.539 2.935 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.872 -7.548 1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.660 -9.509 2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.296 -8.031 3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.139 -6.317 3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.694 -6.527 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.297 -7.546 4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.577 -9.910 4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.850 -8.693 5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.219 -10.194 4.313 1.00 0.00 H new ATOM 489 N ARG A 33 -6.310 -9.186 0.696 1.00 0.00 N ATOM 490 CA ARG A 33 -7.379 -8.647 -0.141 1.00 0.00 C ATOM 491 C ARG A 33 -6.837 -8.235 -1.507 1.00 0.00 C ATOM 492 O ARG A 33 -7.275 -8.742 -2.540 1.00 0.00 O ATOM 493 CB ARG A 33 -8.046 -7.445 0.538 1.00 0.00 C ATOM 494 CG ARG A 33 -8.326 -7.654 2.018 1.00 0.00 C ATOM 495 CD ARG A 33 -9.724 -8.205 2.251 1.00 0.00 C ATOM 496 NE ARG A 33 -9.693 -9.530 2.867 1.00 0.00 N ATOM 497 CZ ARG A 33 -9.229 -9.766 4.092 1.00 0.00 C ATOM 498 NH1 ARG A 33 -8.756 -8.772 4.834 1.00 0.00 N ATOM 499 NH2 ARG A 33 -9.238 -11.000 4.577 1.00 0.00 N ATOM 0 H ARG A 33 -6.363 -10.193 0.849 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.124 -9.430 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.406 -6.571 0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.984 -7.225 0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.589 -8.341 2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.214 -6.708 2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.282 -7.521 2.890 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.256 -8.259 1.301 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.047 -10.319 2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.747 -7.821 4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.402 -8.960 5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.600 -11.768 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.883 -11.182 5.516 1.00 0.00 H new ATOM 513 N GLY A 34 -5.878 -7.316 -1.499 1.00 0.00 N ATOM 514 CA GLY A 34 -5.281 -6.848 -2.734 1.00 0.00 C ATOM 515 C GLY A 34 -3.854 -6.382 -2.530 1.00 0.00 C ATOM 516 O GLY A 34 -3.619 -5.283 -2.032 1.00 0.00 O ATOM 0 H GLY A 34 -5.502 -6.885 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.299 -7.649 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.876 -6.029 -3.138 1.00 0.00 H new ATOM 520 N LYS A 35 -2.898 -7.225 -2.908 1.00 0.00 N ATOM 521 CA LYS A 35 -1.482 -6.902 -2.755 1.00 0.00 C ATOM 522 C LYS A 35 -1.181 -5.472 -3.209 1.00 0.00 C ATOM 523 O LYS A 35 -1.050 -4.569 -2.383 1.00 0.00 O ATOM 524 CB LYS A 35 -0.629 -7.903 -3.539 1.00 0.00 C ATOM 525 CG LYS A 35 0.868 -7.704 -3.361 1.00 0.00 C ATOM 526 CD LYS A 35 1.613 -7.852 -4.680 1.00 0.00 C ATOM 527 CE LYS A 35 2.411 -9.144 -4.729 1.00 0.00 C ATOM 528 NZ LYS A 35 3.023 -9.369 -6.067 1.00 0.00 N ATOM 0 H LYS A 35 -3.078 -8.139 -3.323 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.232 -6.971 -1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.892 -8.914 -3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.873 -7.824 -4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.057 -6.715 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.250 -8.430 -2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.901 -7.832 -5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.284 -7.004 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.195 -9.115 -3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.760 -9.982 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.559 -10.260 -6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.274 -9.422 -6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.665 -8.582 -6.292 1.00 0.00 H new ATOM 542 N ARG A 36 -1.074 -5.271 -4.521 1.00 0.00 N ATOM 543 CA ARG A 36 -0.790 -3.947 -5.075 1.00 0.00 C ATOM 544 C ARG A 36 0.346 -3.263 -4.316 1.00 0.00 C ATOM 545 O ARG A 36 0.391 -2.037 -4.219 1.00 0.00 O ATOM 546 CB ARG A 36 -2.045 -3.070 -5.033 1.00 0.00 C ATOM 547 CG ARG A 36 -2.326 -2.345 -6.339 1.00 0.00 C ATOM 548 CD ARG A 36 -1.203 -1.385 -6.695 1.00 0.00 C ATOM 549 NE ARG A 36 -0.075 -2.069 -7.321 1.00 0.00 N ATOM 550 CZ ARG A 36 -0.103 -2.568 -8.555 1.00 0.00 C ATOM 551 NH1 ARG A 36 -1.198 -2.461 -9.297 1.00 0.00 N ATOM 552 NH2 ARG A 36 0.968 -3.175 -9.049 1.00 0.00 N ATOM 0 H ARG A 36 -1.179 -6.006 -5.220 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.480 -4.079 -6.112 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.904 -3.692 -4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.938 -2.335 -4.235 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.452 -3.073 -7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.264 -1.795 -6.257 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.582 -0.618 -7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.863 -0.875 -5.794 1.00 0.00 H new ATOM 0 HE ARG A 36 0.785 -2.170 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.024 -1.994 -8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.213 -2.845 -10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.813 -3.259 -8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.947 -3.557 -9.994 1.00 0.00 H new ATOM 566 N VAL A 37 1.257 -4.066 -3.775 1.00 0.00 N ATOM 567 CA VAL A 37 2.387 -3.539 -3.021 1.00 0.00 C ATOM 568 C VAL A 37 3.336 -2.763 -3.927 1.00 0.00 C ATOM 569 O VAL A 37 3.640 -3.197 -5.038 1.00 0.00 O ATOM 570 CB VAL A 37 3.164 -4.665 -2.313 1.00 0.00 C ATOM 571 CG1 VAL A 37 3.802 -5.602 -3.329 1.00 0.00 C ATOM 572 CG2 VAL A 37 4.213 -4.081 -1.379 1.00 0.00 C ATOM 0 H VAL A 37 1.234 -5.083 -3.845 1.00 0.00 H new ATOM 0 HA VAL A 37 1.981 -2.865 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 37 2.461 -5.246 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.345 -6.389 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.025 -6.048 -3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.493 -5.041 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.753 -4.890 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.913 -3.474 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.726 -3.460 -0.627 1.00 0.00 H new ATOM 582 N ASP A 38 3.799 -1.613 -3.438 1.00 0.00 N ATOM 583 CA ASP A 38 4.719 -0.754 -4.188 1.00 0.00 C ATOM 584 C ASP A 38 4.708 0.668 -3.630 1.00 0.00 C ATOM 585 O ASP A 38 4.470 1.629 -4.362 1.00 0.00 O ATOM 586 CB ASP A 38 4.354 -0.719 -5.678 1.00 0.00 C ATOM 587 CG ASP A 38 2.859 -0.596 -5.908 1.00 0.00 C ATOM 588 OD1 ASP A 38 2.139 -0.234 -4.954 1.00 0.00 O ATOM 589 OD2 ASP A 38 2.409 -0.864 -7.042 1.00 0.00 O ATOM 0 H ASP A 38 3.550 -1.251 -2.517 1.00 0.00 H new ATOM 0 HA ASP A 38 5.719 -1.175 -4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.862 0.120 -6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.719 -1.626 -6.159 1.00 0.00 H new ATOM 594 N LEU A 39 4.962 0.800 -2.332 1.00 0.00 N ATOM 595 CA LEU A 39 4.972 2.113 -1.693 1.00 0.00 C ATOM 596 C LEU A 39 5.988 2.168 -0.554 1.00 0.00 C ATOM 597 O LEU A 39 7.034 2.805 -0.677 1.00 0.00 O ATOM 598 CB LEU A 39 3.574 2.460 -1.168 1.00 0.00 C ATOM 599 CG LEU A 39 2.410 1.856 -1.960 1.00 0.00 C ATOM 600 CD1 LEU A 39 1.145 1.837 -1.118 1.00 0.00 C ATOM 601 CD2 LEU A 39 2.182 2.629 -3.252 1.00 0.00 C ATOM 0 H LEU A 39 5.162 0.021 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 39 5.264 2.847 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.499 2.127 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.464 3.544 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 39 2.667 0.828 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.329 1.405 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.312 1.237 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.885 2.855 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.351 2.185 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.948 3.668 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.083 2.589 -3.864 1.00 0.00 H new ATOM 613 N GLY A 40 5.677 1.498 0.551 1.00 0.00 N ATOM 614 CA GLY A 40 6.574 1.486 1.689 1.00 0.00 C ATOM 615 C GLY A 40 5.880 1.848 2.987 1.00 0.00 C ATOM 616 O GLY A 40 4.914 1.197 3.384 1.00 0.00 O ATOM 0 H GLY A 40 4.818 0.963 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.020 0.496 1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.390 2.187 1.511 1.00 0.00 H new ATOM 620 N CYS A 41 6.382 2.884 3.654 1.00 0.00 N ATOM 621 CA CYS A 41 5.817 3.332 4.924 1.00 0.00 C ATOM 622 C CYS A 41 6.226 2.390 6.054 1.00 0.00 C ATOM 623 O CYS A 41 5.431 1.571 6.513 1.00 0.00 O ATOM 624 CB CYS A 41 4.287 3.427 4.838 1.00 0.00 C ATOM 625 SG CYS A 41 3.619 5.080 5.222 1.00 0.00 S ATOM 0 H CYS A 41 7.182 3.431 3.335 1.00 0.00 H new ATOM 0 HA CYS A 41 6.211 4.326 5.138 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.972 3.145 3.833 1.00 0.00 H new ATOM 0 HB3 CYS A 41 3.850 2.702 5.525 1.00 0.00 H new ATOM 630 N ALA A 42 7.475 2.514 6.500 1.00 0.00 N ATOM 631 CA ALA A 42 7.989 1.676 7.580 1.00 0.00 C ATOM 632 C ALA A 42 9.458 1.989 7.878 1.00 0.00 C ATOM 633 O ALA A 42 9.752 2.843 8.715 1.00 0.00 O ATOM 634 CB ALA A 42 7.798 0.200 7.246 1.00 0.00 C ATOM 0 H ALA A 42 8.148 3.186 6.131 1.00 0.00 H new ATOM 0 HA ALA A 42 7.420 1.900 8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.186 -0.411 8.061 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.737 -0.008 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.334 -0.038 6.327 1.00 0.00 H new ATOM 640 N ALA A 43 10.377 1.299 7.193 1.00 0.00 N ATOM 641 CA ALA A 43 11.813 1.508 7.393 1.00 0.00 C ATOM 642 C ALA A 43 12.622 0.342 6.830 1.00 0.00 C ATOM 643 O ALA A 43 12.084 -0.525 6.143 1.00 0.00 O ATOM 644 CB ALA A 43 12.132 1.697 8.873 1.00 0.00 C ATOM 0 H ALA A 43 10.150 0.591 6.495 1.00 0.00 H new ATOM 0 HA ALA A 43 12.092 2.414 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.204 1.851 8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.594 2.566 9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.826 0.810 9.427 1.00 0.00 H new ATOM 650 N THR A 44 13.916 0.331 7.138 1.00 0.00 N ATOM 651 CA THR A 44 14.817 -0.725 6.682 1.00 0.00 C ATOM 652 C THR A 44 14.988 -0.705 5.165 1.00 0.00 C ATOM 653 O THR A 44 14.117 -1.154 4.421 1.00 0.00 O ATOM 654 CB THR A 44 14.317 -2.101 7.139 1.00 0.00 C ATOM 655 OG1 THR A 44 13.325 -2.600 6.259 1.00 0.00 O ATOM 656 CG2 THR A 44 13.731 -2.094 8.535 1.00 0.00 C ATOM 0 H THR A 44 14.368 1.048 7.706 1.00 0.00 H new ATOM 0 HA THR A 44 15.792 -0.536 7.132 1.00 0.00 H new ATOM 0 HB THR A 44 15.201 -2.739 7.136 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.023 -1.881 5.665 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.397 -3.099 8.794 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.490 -1.769 9.247 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.883 -1.410 8.570 1.00 0.00 H new ATOM 664 N CYS A 45 16.129 -0.187 4.721 1.00 0.00 N ATOM 665 CA CYS A 45 16.443 -0.109 3.298 1.00 0.00 C ATOM 666 C CYS A 45 17.078 -1.410 2.773 1.00 0.00 C ATOM 667 O CYS A 45 17.013 -1.684 1.575 1.00 0.00 O ATOM 668 CB CYS A 45 17.379 1.076 3.031 1.00 0.00 C ATOM 669 SG CYS A 45 17.963 1.206 1.307 1.00 0.00 S ATOM 0 H CYS A 45 16.856 0.187 5.331 1.00 0.00 H new ATOM 0 HA CYS A 45 15.504 0.037 2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 45 16.862 1.998 3.297 1.00 0.00 H new ATOM 0 HB3 CYS A 45 18.244 0.995 3.689 1.00 0.00 H new ATOM 674 N PRO A 46 17.707 -2.232 3.647 1.00 0.00 N ATOM 675 CA PRO A 46 18.341 -3.482 3.229 1.00 0.00 C ATOM 676 C PRO A 46 17.359 -4.650 3.200 1.00 0.00 C ATOM 677 O PRO A 46 16.148 -4.444 3.151 1.00 0.00 O ATOM 678 CB PRO A 46 19.404 -3.692 4.304 1.00 0.00 C ATOM 679 CG PRO A 46 18.822 -3.091 5.540 1.00 0.00 C ATOM 680 CD PRO A 46 17.859 -2.015 5.097 1.00 0.00 C ATOM 0 HA PRO A 46 18.738 -3.432 2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 46 19.621 -4.751 4.444 1.00 0.00 H new ATOM 0 HB3 PRO A 46 20.342 -3.207 4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 46 18.308 -3.848 6.132 1.00 0.00 H new ATOM 0 HG3 PRO A 46 19.606 -2.671 6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 46 16.903 -2.100 5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.249 -1.020 5.311 1.00 0.00 H new ATOM 688 N THR A 47 17.890 -5.876 3.207 1.00 0.00 N ATOM 689 CA THR A 47 17.060 -7.080 3.164 1.00 0.00 C ATOM 690 C THR A 47 16.155 -7.054 1.940 1.00 0.00 C ATOM 691 O THR A 47 15.092 -7.674 1.913 1.00 0.00 O ATOM 692 CB THR A 47 16.232 -7.217 4.445 1.00 0.00 C ATOM 693 OG1 THR A 47 15.790 -8.553 4.609 1.00 0.00 O ATOM 694 CG2 THR A 47 15.010 -6.321 4.482 1.00 0.00 C ATOM 0 H THR A 47 18.893 -6.059 3.242 1.00 0.00 H new ATOM 0 HA THR A 47 17.716 -7.947 3.092 1.00 0.00 H new ATOM 0 HB THR A 47 16.900 -6.913 5.251 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.358 -8.858 3.784 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.475 -6.474 5.419 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.321 -5.279 4.408 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.355 -6.565 3.646 1.00 0.00 H new ATOM 702 N VAL A 48 16.597 -6.317 0.939 1.00 0.00 N ATOM 703 CA VAL A 48 15.872 -6.154 -0.315 1.00 0.00 C ATOM 704 C VAL A 48 16.037 -7.368 -1.226 1.00 0.00 C ATOM 705 O VAL A 48 16.214 -7.233 -2.437 1.00 0.00 O ATOM 706 CB VAL A 48 16.386 -4.915 -1.056 1.00 0.00 C ATOM 707 CG1 VAL A 48 15.411 -4.485 -2.135 1.00 0.00 C ATOM 708 CG2 VAL A 48 16.643 -3.782 -0.077 1.00 0.00 C ATOM 0 H VAL A 48 17.480 -5.807 0.970 1.00 0.00 H new ATOM 0 HA VAL A 48 14.816 -6.043 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 48 17.328 -5.172 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.799 -3.604 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.284 -5.294 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 48 14.449 -4.247 -1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.008 -2.909 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.716 -3.529 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 48 17.390 -4.094 0.653 1.00 0.00 H new ATOM 718 N LYS A 49 15.993 -8.548 -0.634 1.00 0.00 N ATOM 719 CA LYS A 49 16.153 -9.790 -1.389 1.00 0.00 C ATOM 720 C LYS A 49 15.203 -10.888 -0.898 1.00 0.00 C ATOM 721 O LYS A 49 14.286 -11.289 -1.613 1.00 0.00 O ATOM 722 CB LYS A 49 17.602 -10.293 -1.306 1.00 0.00 C ATOM 723 CG LYS A 49 18.616 -9.238 -0.874 1.00 0.00 C ATOM 724 CD LYS A 49 19.670 -9.831 0.045 1.00 0.00 C ATOM 725 CE LYS A 49 21.053 -9.283 -0.266 1.00 0.00 C ATOM 726 NZ LYS A 49 22.130 -10.131 0.314 1.00 0.00 N ATOM 0 H LYS A 49 15.848 -8.678 0.367 1.00 0.00 H new ATOM 0 HA LYS A 49 15.904 -9.564 -2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.644 -11.127 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.895 -10.681 -2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.096 -8.810 -1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.102 -8.423 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.415 -9.611 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.676 -10.916 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.184 -9.219 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 49 21.138 -8.269 0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 23.057 -9.723 0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 22.021 -10.172 1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 22.065 -11.092 -0.079 1.00 0.00 H new ATOM 740 N THR A 50 15.452 -11.385 0.315 1.00 0.00 N ATOM 741 CA THR A 50 14.648 -12.461 0.913 1.00 0.00 C ATOM 742 C THR A 50 13.150 -12.312 0.638 1.00 0.00 C ATOM 743 O THR A 50 12.421 -11.723 1.434 1.00 0.00 O ATOM 744 CB THR A 50 14.886 -12.517 2.423 1.00 0.00 C ATOM 745 OG1 THR A 50 16.187 -12.061 2.744 1.00 0.00 O ATOM 746 CG2 THR A 50 14.730 -13.908 3.001 1.00 0.00 C ATOM 0 H THR A 50 16.212 -11.057 0.911 1.00 0.00 H new ATOM 0 HA THR A 50 14.972 -13.390 0.443 1.00 0.00 H new ATOM 0 HB THR A 50 14.124 -11.871 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 50 16.318 -12.103 3.714 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.912 -13.878 4.075 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.718 -14.268 2.814 1.00 0.00 H new ATOM 0 HG23 THR A 50 15.447 -14.580 2.530 1.00 0.00 H new ATOM 754 N GLY A 51 12.697 -12.874 -0.483 1.00 0.00 N ATOM 755 CA GLY A 51 11.285 -12.819 -0.845 1.00 0.00 C ATOM 756 C GLY A 51 10.645 -11.465 -0.594 1.00 0.00 C ATOM 757 O GLY A 51 9.440 -11.376 -0.361 1.00 0.00 O ATOM 0 H GLY A 51 13.286 -13.370 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.179 -13.072 -1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.744 -13.578 -0.280 1.00 0.00 H new ATOM 761 N VAL A 52 11.452 -10.412 -0.648 1.00 0.00 N ATOM 762 CA VAL A 52 10.968 -9.054 -0.431 1.00 0.00 C ATOM 763 C VAL A 52 11.757 -8.073 -1.293 1.00 0.00 C ATOM 764 O VAL A 52 12.930 -7.812 -1.028 1.00 0.00 O ATOM 765 CB VAL A 52 11.097 -8.640 1.049 1.00 0.00 C ATOM 766 CG1 VAL A 52 9.970 -9.243 1.873 1.00 0.00 C ATOM 767 CG2 VAL A 52 12.449 -9.051 1.609 1.00 0.00 C ATOM 0 H VAL A 52 12.452 -10.474 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 52 9.914 -9.031 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 52 11.022 -7.554 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.078 -8.940 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.012 -8.892 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.011 -10.330 1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.517 -8.749 2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.559 -10.133 1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.242 -8.566 1.039 1.00 0.00 H new ATOM 777 N ASP A 53 11.119 -7.540 -2.332 1.00 0.00 N ATOM 778 CA ASP A 53 11.792 -6.600 -3.231 1.00 0.00 C ATOM 779 C ASP A 53 11.464 -5.158 -2.868 1.00 0.00 C ATOM 780 O ASP A 53 10.460 -4.611 -3.321 1.00 0.00 O ATOM 781 CB ASP A 53 11.395 -6.875 -4.683 1.00 0.00 C ATOM 782 CG ASP A 53 12.383 -7.781 -5.391 1.00 0.00 C ATOM 783 OD1 ASP A 53 13.396 -7.265 -5.908 1.00 0.00 O ATOM 784 OD2 ASP A 53 12.143 -9.006 -5.430 1.00 0.00 O ATOM 0 H ASP A 53 10.148 -7.738 -2.573 1.00 0.00 H new ATOM 0 HA ASP A 53 12.867 -6.744 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.406 -7.332 -4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.322 -5.930 -5.222 1.00 0.00 H new ATOM 789 N ILE A 54 12.309 -4.551 -2.039 1.00 0.00 N ATOM 790 CA ILE A 54 12.084 -3.173 -1.604 1.00 0.00 C ATOM 791 C ILE A 54 12.957 -2.150 -2.330 1.00 0.00 C ATOM 792 O ILE A 54 14.165 -2.061 -2.111 1.00 0.00 O ATOM 793 CB ILE A 54 12.227 -3.017 -0.059 1.00 0.00 C ATOM 794 CG1 ILE A 54 13.542 -2.334 0.341 1.00 0.00 C ATOM 795 CG2 ILE A 54 12.107 -4.366 0.635 1.00 0.00 C ATOM 796 CD1 ILE A 54 13.752 -2.261 1.839 1.00 0.00 C ATOM 0 H ILE A 54 13.149 -4.986 -1.657 1.00 0.00 H new ATOM 0 HA ILE A 54 11.052 -2.955 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 54 11.411 -2.373 0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 54 14.375 -2.875 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 54 13.558 -1.325 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.210 -4.232 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 54 11.133 -4.803 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 54 12.892 -5.031 0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 54 14.700 -1.767 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.939 -1.695 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 54 13.768 -3.269 2.254 1.00 0.00 H new ATOM 808 N GLN A 55 12.314 -1.332 -3.160 1.00 0.00 N ATOM 809 CA GLN A 55 13.015 -0.270 -3.860 1.00 0.00 C ATOM 810 C GLN A 55 13.084 0.916 -2.917 1.00 0.00 C ATOM 811 O GLN A 55 12.222 1.797 -2.933 1.00 0.00 O ATOM 812 CB GLN A 55 12.297 0.109 -5.158 1.00 0.00 C ATOM 813 CG GLN A 55 12.857 -0.583 -6.392 1.00 0.00 C ATOM 814 CD GLN A 55 14.356 -0.407 -6.531 1.00 0.00 C ATOM 815 OE1 GLN A 55 15.128 -1.327 -6.263 1.00 0.00 O ATOM 816 NE2 GLN A 55 14.776 0.780 -6.955 1.00 0.00 N ATOM 0 H GLN A 55 11.315 -1.387 -3.360 1.00 0.00 H new ATOM 0 HA GLN A 55 14.015 -0.599 -4.142 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.239 -0.137 -5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.362 1.188 -5.297 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.623 -1.647 -6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.365 -0.187 -7.280 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.100 1.515 -7.166 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.774 0.957 -7.070 1.00 0.00 H new ATOM 825 N CYS A 56 14.083 0.887 -2.047 1.00 0.00 N ATOM 826 CA CYS A 56 14.249 1.916 -1.034 1.00 0.00 C ATOM 827 C CYS A 56 14.700 3.250 -1.630 1.00 0.00 C ATOM 828 O CYS A 56 15.572 3.299 -2.497 1.00 0.00 O ATOM 829 CB CYS A 56 15.204 1.406 0.062 1.00 0.00 C ATOM 830 SG CYS A 56 16.640 2.473 0.429 1.00 0.00 S ATOM 0 H CYS A 56 14.795 0.157 -2.024 1.00 0.00 H new ATOM 0 HA CYS A 56 13.279 2.118 -0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 56 14.633 1.270 0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 56 15.572 0.423 -0.232 1.00 0.00 H new ATOM 835 N CYS A 57 14.080 4.331 -1.151 1.00 0.00 N ATOM 836 CA CYS A 57 14.389 5.678 -1.618 1.00 0.00 C ATOM 837 C CYS A 57 13.933 6.722 -0.600 1.00 0.00 C ATOM 838 O CYS A 57 12.912 6.551 0.075 1.00 0.00 O ATOM 839 CB CYS A 57 13.714 5.940 -2.967 1.00 0.00 C ATOM 840 SG CYS A 57 11.893 5.862 -2.914 1.00 0.00 S ATOM 0 H CYS A 57 13.355 4.295 -0.434 1.00 0.00 H new ATOM 0 HA CYS A 57 15.470 5.756 -1.738 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.015 6.924 -3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.078 5.211 -3.691 1.00 0.00 H new ATOM 845 N SER A 58 14.697 7.805 -0.496 1.00 0.00 N ATOM 846 CA SER A 58 14.380 8.882 0.436 1.00 0.00 C ATOM 847 C SER A 58 13.716 10.051 -0.288 1.00 0.00 C ATOM 848 O SER A 58 14.334 11.093 -0.505 1.00 0.00 O ATOM 849 CB SER A 58 15.648 9.360 1.147 1.00 0.00 C ATOM 850 OG SER A 58 16.573 8.299 1.309 1.00 0.00 O ATOM 0 H SER A 58 15.541 7.960 -1.047 1.00 0.00 H new ATOM 0 HA SER A 58 13.681 8.494 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.109 10.164 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.388 9.772 2.122 1.00 0.00 H new ATOM 0 HG SER A 58 17.375 8.631 1.764 1.00 0.00 H new ATOM 856 N THR A 59 12.453 9.869 -0.659 1.00 0.00 N ATOM 857 CA THR A 59 11.702 10.906 -1.358 1.00 0.00 C ATOM 858 C THR A 59 10.352 11.141 -0.690 1.00 0.00 C ATOM 859 O THR A 59 9.849 10.282 0.034 1.00 0.00 O ATOM 860 CB THR A 59 11.495 10.514 -2.823 1.00 0.00 C ATOM 861 OG1 THR A 59 12.736 10.253 -3.453 1.00 0.00 O ATOM 862 CG2 THR A 59 10.782 11.575 -3.635 1.00 0.00 C ATOM 0 H THR A 59 11.927 9.012 -0.487 1.00 0.00 H new ATOM 0 HA THR A 59 12.278 11.831 -1.313 1.00 0.00 H new ATOM 0 HB THR A 59 10.870 9.621 -2.795 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.719 9.358 -3.851 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.669 11.231 -4.663 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.798 11.763 -3.205 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.365 12.496 -3.622 1.00 0.00 H new ATOM 870 N ASP A 60 9.764 12.308 -0.942 1.00 0.00 N ATOM 871 CA ASP A 60 8.467 12.650 -0.367 1.00 0.00 C ATOM 872 C ASP A 60 7.445 11.556 -0.657 1.00 0.00 C ATOM 873 O ASP A 60 6.873 10.966 0.259 1.00 0.00 O ATOM 874 CB ASP A 60 7.974 13.986 -0.928 1.00 0.00 C ATOM 875 CG ASP A 60 8.845 15.151 -0.499 1.00 0.00 C ATOM 876 OD1 ASP A 60 8.601 15.704 0.594 1.00 0.00 O ATOM 877 OD2 ASP A 60 9.771 15.510 -1.257 1.00 0.00 O ATOM 0 H ASP A 60 10.165 13.031 -1.539 1.00 0.00 H new ATOM 0 HA ASP A 60 8.585 12.740 0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.952 13.934 -2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.950 14.160 -0.597 1.00 0.00 H new ATOM 882 N ASN A 61 7.227 11.289 -1.940 1.00 0.00 N ATOM 883 CA ASN A 61 6.279 10.262 -2.359 1.00 0.00 C ATOM 884 C ASN A 61 6.970 9.186 -3.197 1.00 0.00 C ATOM 885 O ASN A 61 6.498 8.052 -3.274 1.00 0.00 O ATOM 886 CB ASN A 61 5.135 10.891 -3.156 1.00 0.00 C ATOM 887 CG ASN A 61 5.632 11.728 -4.319 1.00 0.00 C ATOM 888 OD1 ASN A 61 5.644 11.276 -5.464 1.00 0.00 O ATOM 889 ND2 ASN A 61 6.045 12.956 -4.029 1.00 0.00 N ATOM 0 H ASN A 61 7.694 11.770 -2.709 1.00 0.00 H new ATOM 0 HA ASN A 61 5.874 9.791 -1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.482 10.104 -3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.534 11.514 -2.494 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.390 13.566 -4.770 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.017 13.289 -3.065 1.00 0.00 H new ATOM 896 N CYS A 62 8.085 9.549 -3.828 1.00 0.00 N ATOM 897 CA CYS A 62 8.834 8.615 -4.664 1.00 0.00 C ATOM 898 C CYS A 62 7.924 7.948 -5.687 1.00 0.00 C ATOM 899 O CYS A 62 8.162 6.814 -6.103 1.00 0.00 O ATOM 900 CB CYS A 62 9.532 7.558 -3.802 1.00 0.00 C ATOM 901 SG CYS A 62 11.299 7.326 -4.191 1.00 0.00 S ATOM 0 H CYS A 62 8.489 10.484 -3.776 1.00 0.00 H new ATOM 0 HA CYS A 62 9.594 9.182 -5.202 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.436 7.839 -2.753 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.016 6.606 -3.925 1.00 0.00 H new ATOM 906 N ASN A 63 6.879 8.663 -6.081 1.00 0.00 N ATOM 907 CA ASN A 63 5.925 8.149 -7.049 1.00 0.00 C ATOM 908 C ASN A 63 5.242 9.285 -7.809 1.00 0.00 C ATOM 909 O ASN A 63 4.237 9.831 -7.352 1.00 0.00 O ATOM 910 CB ASN A 63 4.886 7.301 -6.331 1.00 0.00 C ATOM 911 CG ASN A 63 3.975 6.564 -7.291 1.00 0.00 C ATOM 912 OD1 ASN A 63 4.330 6.329 -8.446 1.00 0.00 O ATOM 913 ND2 ASN A 63 2.792 6.197 -6.816 1.00 0.00 N ATOM 0 H ASN A 63 6.672 9.603 -5.743 1.00 0.00 H new ATOM 0 HA ASN A 63 6.461 7.538 -7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.391 6.580 -5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.286 7.939 -5.683 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.134 5.699 -7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.540 6.413 -5.851 1.00 0.00 H new ATOM 920 N PRO A 64 5.780 9.658 -8.984 1.00 0.00 N ATOM 921 CA PRO A 64 5.217 10.734 -9.804 1.00 0.00 C ATOM 922 C PRO A 64 3.970 10.298 -10.569 1.00 0.00 C ATOM 923 O PRO A 64 3.198 11.132 -11.042 1.00 0.00 O ATOM 924 CB PRO A 64 6.352 11.057 -10.774 1.00 0.00 C ATOM 925 CG PRO A 64 7.088 9.771 -10.929 1.00 0.00 C ATOM 926 CD PRO A 64 6.981 9.062 -9.604 1.00 0.00 C ATOM 0 HA PRO A 64 4.892 11.581 -9.200 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.968 11.412 -11.730 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.000 11.840 -10.380 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.656 9.169 -11.728 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.131 9.949 -11.192 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.872 7.985 -9.734 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.869 9.221 -8.992 1.00 0.00 H new ATOM 934 N PHE A 65 3.778 8.986 -10.690 1.00 0.00 N ATOM 935 CA PHE A 65 2.625 8.442 -11.402 1.00 0.00 C ATOM 936 C PHE A 65 1.317 9.018 -10.854 1.00 0.00 C ATOM 937 O PHE A 65 1.078 8.990 -9.647 1.00 0.00 O ATOM 938 CB PHE A 65 2.607 6.917 -11.290 1.00 0.00 C ATOM 939 CG PHE A 65 3.549 6.232 -12.239 1.00 0.00 C ATOM 940 CD1 PHE A 65 4.906 6.174 -11.968 1.00 0.00 C ATOM 941 CD2 PHE A 65 3.076 5.645 -13.402 1.00 0.00 C ATOM 942 CE1 PHE A 65 5.775 5.543 -12.839 1.00 0.00 C ATOM 943 CE2 PHE A 65 3.940 5.013 -14.277 1.00 0.00 C ATOM 944 CZ PHE A 65 5.291 4.962 -13.994 1.00 0.00 C ATOM 0 H PHE A 65 4.406 8.281 -10.304 1.00 0.00 H new ATOM 0 HA PHE A 65 2.713 8.726 -12.451 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.863 6.633 -10.269 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.594 6.560 -11.476 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.290 6.627 -11.066 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.020 5.682 -13.627 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.831 5.505 -12.616 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.559 4.560 -15.180 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.968 4.468 -14.675 1.00 0.00 H new ATOM 954 N PRO A 66 0.447 9.549 -11.735 1.00 0.00 N ATOM 955 CA PRO A 66 -0.837 10.128 -11.321 1.00 0.00 C ATOM 956 C PRO A 66 -1.703 9.128 -10.560 1.00 0.00 C ATOM 957 O PRO A 66 -1.991 9.316 -9.378 1.00 0.00 O ATOM 958 CB PRO A 66 -1.508 10.517 -12.643 1.00 0.00 C ATOM 959 CG PRO A 66 -0.392 10.633 -13.622 1.00 0.00 C ATOM 960 CD PRO A 66 0.641 9.630 -13.194 1.00 0.00 C ATOM 0 HA PRO A 66 -0.699 10.968 -10.640 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.231 9.763 -12.956 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.050 11.458 -12.549 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.739 10.428 -14.635 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.021 11.642 -13.625 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.488 8.664 -13.675 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.649 9.957 -13.449 1.00 0.00 H new ATOM 968 N THR A 67 -2.114 8.065 -11.244 1.00 0.00 N ATOM 969 CA THR A 67 -2.947 7.036 -10.631 1.00 0.00 C ATOM 970 C THR A 67 -2.090 6.015 -9.890 1.00 0.00 C ATOM 971 O THR A 67 -0.865 6.126 -9.857 1.00 0.00 O ATOM 972 CB THR A 67 -3.792 6.332 -11.693 1.00 0.00 C ATOM 973 OG1 THR A 67 -2.966 5.731 -12.674 1.00 0.00 O ATOM 974 CG2 THR A 67 -4.752 7.260 -12.407 1.00 0.00 C ATOM 0 H THR A 67 -1.884 7.893 -12.223 1.00 0.00 H new ATOM 0 HA THR A 67 -3.609 7.521 -9.913 1.00 0.00 H new ATOM 0 HB THR A 67 -4.371 5.584 -11.152 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.218 4.790 -12.782 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.320 6.696 -13.147 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.437 7.702 -11.683 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.191 8.050 -12.905 1.00 0.00 H new ATOM 982 N ARG A 68 -2.741 5.020 -9.296 1.00 0.00 N ATOM 983 CA ARG A 68 -2.033 3.980 -8.555 1.00 0.00 C ATOM 984 C ARG A 68 -2.553 2.595 -8.931 1.00 0.00 C ATOM 985 O ARG A 68 -1.868 1.826 -9.606 1.00 0.00 O ATOM 986 CB ARG A 68 -2.173 4.188 -7.042 1.00 0.00 C ATOM 987 CG ARG A 68 -2.540 5.608 -6.629 1.00 0.00 C ATOM 988 CD ARG A 68 -4.006 5.713 -6.239 1.00 0.00 C ATOM 989 NE ARG A 68 -4.860 6.013 -7.387 1.00 0.00 N ATOM 990 CZ ARG A 68 -6.166 5.758 -7.427 1.00 0.00 C ATOM 991 NH1 ARG A 68 -6.775 5.205 -6.385 1.00 0.00 N ATOM 992 NH2 ARG A 68 -6.867 6.060 -8.512 1.00 0.00 N ATOM 0 H ARG A 68 -3.755 4.911 -9.313 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.979 4.048 -8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.934 3.505 -6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.233 3.915 -6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.916 5.917 -5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.331 6.293 -7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.328 4.776 -5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.125 6.492 -5.486 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.430 6.443 -8.206 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.242 4.973 -5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.776 5.012 -6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.405 6.487 -9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.868 5.865 -8.543 1.00 0.00 H new ATOM 1006 N LYS A 69 -3.768 2.284 -8.488 1.00 0.00 N ATOM 1007 CA LYS A 69 -4.379 0.992 -8.776 1.00 0.00 C ATOM 1008 C LYS A 69 -4.677 0.853 -10.265 1.00 0.00 C ATOM 1009 O LYS A 69 -4.476 -0.210 -10.852 1.00 0.00 O ATOM 1010 CB LYS A 69 -5.667 0.821 -7.968 1.00 0.00 C ATOM 1011 CG LYS A 69 -5.434 0.696 -6.470 1.00 0.00 C ATOM 1012 CD LYS A 69 -6.002 -0.603 -5.921 1.00 0.00 C ATOM 1013 CE LYS A 69 -7.402 -0.407 -5.361 1.00 0.00 C ATOM 1014 NZ LYS A 69 -8.387 -0.082 -6.430 1.00 0.00 N ATOM 0 H LYS A 69 -4.348 2.909 -7.929 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.673 0.212 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.320 1.674 -8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.192 -0.067 -8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.365 0.743 -6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.895 1.540 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.027 -1.353 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.347 -0.986 -5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.715 -1.313 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.389 0.395 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.337 -0.006 -6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.130 0.822 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.382 -0.835 -7.147 1.00 0.00 H new ATOM 1028 N ARG A 70 -5.158 1.934 -10.870 1.00 0.00 N ATOM 1029 CA ARG A 70 -5.483 1.932 -12.291 1.00 0.00 C ATOM 1030 C ARG A 70 -4.288 2.394 -13.122 1.00 0.00 C ATOM 1031 O ARG A 70 -3.467 3.184 -12.657 1.00 0.00 O ATOM 1032 CB ARG A 70 -6.688 2.835 -12.560 1.00 0.00 C ATOM 1033 CG ARG A 70 -7.819 2.656 -11.559 1.00 0.00 C ATOM 1034 CD ARG A 70 -9.178 2.839 -12.214 1.00 0.00 C ATOM 1035 NE ARG A 70 -9.270 4.104 -12.939 1.00 0.00 N ATOM 1036 CZ ARG A 70 -10.268 4.417 -13.761 1.00 0.00 C ATOM 1037 NH1 ARG A 70 -11.261 3.559 -13.966 1.00 0.00 N ATOM 1038 NH2 ARG A 70 -10.275 5.589 -14.381 1.00 0.00 N ATOM 0 H ARG A 70 -5.331 2.822 -10.399 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.731 0.911 -12.582 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.362 3.875 -12.545 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.066 2.633 -13.562 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.759 1.662 -11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.705 3.375 -10.748 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.364 2.013 -12.901 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.956 2.801 -11.452 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.525 4.788 -12.807 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.260 2.656 -13.492 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.024 3.803 -14.597 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.515 6.252 -14.228 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.041 5.828 -15.011 1.00 0.00 H new ATOM 1052 N PRO A 71 -4.175 1.904 -14.369 1.00 0.00 N ATOM 1053 CA PRO A 71 -3.074 2.270 -15.265 1.00 0.00 C ATOM 1054 C PRO A 71 -2.895 3.781 -15.377 1.00 0.00 C ATOM 1055 O PRO A 71 -1.825 4.281 -14.971 1.00 0.00 O ATOM 1056 CB PRO A 71 -3.499 1.680 -16.611 1.00 0.00 C ATOM 1057 CG PRO A 71 -4.397 0.545 -16.259 1.00 0.00 C ATOM 1058 CD PRO A 71 -5.112 0.956 -15.001 1.00 0.00 C ATOM 1059 OXT PRO A 71 -3.826 4.451 -15.871 1.00 0.00 O ATOM 0 HA PRO A 71 -2.115 1.897 -14.905 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.016 2.420 -17.222 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.637 1.340 -17.184 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.106 0.345 -17.063 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.826 -0.370 -16.102 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.072 1.425 -15.219 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.314 0.101 -14.356 1.00 0.00 H new TER 1067 PRO A 71 ATOM 1068 N TYR B 181 -27.839 -7.610 1.734 1.00 0.00 N ATOM 1069 CA TYR B 181 -26.510 -7.539 2.398 1.00 0.00 C ATOM 1070 C TYR B 181 -26.629 -6.964 3.806 1.00 0.00 C ATOM 1071 O TYR B 181 -27.395 -6.030 4.042 1.00 0.00 O ATOM 1072 CB TYR B 181 -25.583 -6.665 1.550 1.00 0.00 C ATOM 1073 CG TYR B 181 -25.703 -6.912 0.062 1.00 0.00 C ATOM 1074 CD1 TYR B 181 -25.380 -8.147 -0.486 1.00 0.00 C ATOM 1075 CD2 TYR B 181 -26.138 -5.908 -0.793 1.00 0.00 C ATOM 1076 CE1 TYR B 181 -25.488 -8.374 -1.845 1.00 0.00 C ATOM 1077 CE2 TYR B 181 -26.249 -6.128 -2.153 1.00 0.00 C ATOM 1078 CZ TYR B 181 -25.922 -7.362 -2.674 1.00 0.00 C ATOM 1079 OH TYR B 181 -26.031 -7.584 -4.028 1.00 0.00 O ATOM 0 HA TYR B 181 -26.101 -8.546 2.485 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -25.801 -5.617 1.754 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -24.552 -6.842 1.856 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -25.039 -8.942 0.160 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -26.394 -4.940 -0.389 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -25.233 -9.340 -2.256 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -26.590 -5.337 -2.804 1.00 0.00 H new ATOM 0 HH TYR B 181 -26.351 -6.769 -4.468 1.00 0.00 H new ATOM 1091 N ARG B 182 -25.865 -7.527 4.737 1.00 0.00 N ATOM 1092 CA ARG B 182 -25.885 -7.068 6.121 1.00 0.00 C ATOM 1093 C ARG B 182 -25.008 -5.832 6.297 1.00 0.00 C ATOM 1094 O ARG B 182 -25.511 -4.725 6.490 1.00 0.00 O ATOM 1095 CB ARG B 182 -25.413 -8.184 7.058 1.00 0.00 C ATOM 1096 CG ARG B 182 -25.385 -7.783 8.527 1.00 0.00 C ATOM 1097 CD ARG B 182 -26.685 -7.119 8.958 1.00 0.00 C ATOM 1098 NE ARG B 182 -27.857 -7.794 8.404 1.00 0.00 N ATOM 1099 CZ ARG B 182 -29.054 -7.223 8.281 1.00 0.00 C ATOM 1100 NH1 ARG B 182 -29.243 -5.970 8.676 1.00 0.00 N ATOM 1101 NH2 ARG B 182 -30.064 -7.908 7.762 1.00 0.00 N ATOM 0 H ARG B 182 -25.225 -8.301 4.558 1.00 0.00 H new ATOM 0 HA ARG B 182 -26.911 -6.801 6.375 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -26.068 -9.047 6.939 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -24.414 -8.499 6.758 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -25.207 -8.666 9.141 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -24.553 -7.100 8.701 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -26.748 -7.119 10.046 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -26.683 -6.077 8.639 1.00 0.00 H new ATOM 0 HE ARG B 182 -27.752 -8.760 8.093 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -28.469 -5.439 9.076 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -30.162 -5.538 8.579 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -29.924 -8.871 7.457 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -30.981 -7.472 7.667 1.00 0.00 H new ATOM 1115 N GLY B 183 -23.696 -6.028 6.227 1.00 0.00 N ATOM 1116 CA GLY B 183 -22.772 -4.919 6.379 1.00 0.00 C ATOM 1117 C GLY B 183 -22.492 -4.217 5.065 1.00 0.00 C ATOM 1118 O GLY B 183 -23.318 -4.240 4.153 1.00 0.00 O ATOM 0 H GLY B 183 -23.256 -6.934 6.068 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -23.182 -4.202 7.091 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -21.835 -5.285 6.799 1.00 0.00 H new ATOM 1122 N TRP B 184 -21.324 -3.591 4.967 1.00 0.00 N ATOM 1123 CA TRP B 184 -20.940 -2.881 3.753 1.00 0.00 C ATOM 1124 C TRP B 184 -19.880 -3.659 2.981 1.00 0.00 C ATOM 1125 O TRP B 184 -19.251 -4.570 3.518 1.00 0.00 O ATOM 1126 CB TRP B 184 -20.418 -1.486 4.097 1.00 0.00 C ATOM 1127 CG TRP B 184 -21.491 -0.554 4.572 1.00 0.00 C ATOM 1128 CD1 TRP B 184 -21.479 0.196 5.712 1.00 0.00 C ATOM 1129 CD2 TRP B 184 -22.736 -0.278 3.921 1.00 0.00 C ATOM 1130 NE1 TRP B 184 -22.641 0.924 5.809 1.00 0.00 N ATOM 1131 CE2 TRP B 184 -23.429 0.650 4.722 1.00 0.00 C ATOM 1132 CE3 TRP B 184 -23.333 -0.723 2.738 1.00 0.00 C ATOM 1133 CZ2 TRP B 184 -24.687 1.139 4.378 1.00 0.00 C ATOM 1134 CZ3 TRP B 184 -24.581 -0.237 2.397 1.00 0.00 C ATOM 1135 CH2 TRP B 184 -25.246 0.686 3.214 1.00 0.00 C ATOM 0 H TRP B 184 -20.628 -3.561 5.712 1.00 0.00 H new ATOM 0 HA TRP B 184 -21.824 -2.784 3.123 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -19.653 -1.572 4.868 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -19.937 -1.058 3.217 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -20.675 0.215 6.432 1.00 0.00 H new ATOM 0 HE1 TRP B 184 -22.878 1.564 6.567 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -22.828 -1.434 2.101 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 -25.202 1.850 5.007 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 -25.051 -0.575 1.485 1.00 0.00 H new ATOM 0 HH2 TRP B 184 -26.220 1.048 2.919 1.00 0.00 H new ATOM 1146 N LYS B 185 -19.691 -3.298 1.717 1.00 0.00 N ATOM 1147 CA LYS B 185 -18.709 -3.968 0.874 1.00 0.00 C ATOM 1148 C LYS B 185 -17.346 -3.290 0.970 1.00 0.00 C ATOM 1149 O LYS B 185 -17.252 -2.064 1.026 1.00 0.00 O ATOM 1150 CB LYS B 185 -19.185 -3.990 -0.582 1.00 0.00 C ATOM 1151 CG LYS B 185 -19.080 -2.645 -1.287 1.00 0.00 C ATOM 1152 CD LYS B 185 -19.401 -2.764 -2.769 1.00 0.00 C ATOM 1153 CE LYS B 185 -18.172 -2.513 -3.630 1.00 0.00 C ATOM 1154 NZ LYS B 185 -17.064 -3.455 -3.311 1.00 0.00 N ATOM 0 H LYS B 185 -20.204 -2.547 1.255 1.00 0.00 H new ATOM 0 HA LYS B 185 -18.604 -4.993 1.230 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -18.599 -4.725 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -20.222 -4.323 -0.610 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -19.764 -1.935 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -18.073 -2.246 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -19.795 -3.759 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -20.182 -2.050 -3.031 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -18.440 -2.612 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -17.830 -1.488 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -16.533 -3.673 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -16.426 -3.018 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -17.458 -4.333 -2.916 1.00 0.00 H new ATOM 1168 N HIS B 186 -16.294 -4.098 0.979 1.00 0.00 N ATOM 1169 CA HIS B 186 -14.933 -3.584 1.058 1.00 0.00 C ATOM 1170 C HIS B 186 -13.956 -4.570 0.437 1.00 0.00 C ATOM 1171 O HIS B 186 -13.436 -5.458 1.113 1.00 0.00 O ATOM 1172 CB HIS B 186 -14.544 -3.301 2.510 1.00 0.00 C ATOM 1173 CG HIS B 186 -14.971 -4.372 3.465 1.00 0.00 C ATOM 1174 ND1 HIS B 186 -14.358 -5.606 3.537 1.00 0.00 N ATOM 1175 CD2 HIS B 186 -15.956 -4.389 4.394 1.00 0.00 C ATOM 1176 CE1 HIS B 186 -14.948 -6.335 4.468 1.00 0.00 C ATOM 1177 NE2 HIS B 186 -15.920 -5.619 5.003 1.00 0.00 N ATOM 0 H HIS B 186 -16.358 -5.115 0.932 1.00 0.00 H new ATOM 0 HA HIS B 186 -14.890 -2.649 0.500 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -13.462 -3.182 2.571 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -14.987 -2.354 2.818 1.00 0.00 H new ATOM 0 HD1 HIS B 186 -13.572 -5.908 2.961 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -16.642 -3.585 4.615 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -14.681 -7.344 4.744 1.00 0.00 H new ATOM 1186 N TRP B 187 -13.723 -4.413 -0.859 1.00 0.00 N ATOM 1187 CA TRP B 187 -12.820 -5.293 -1.584 1.00 0.00 C ATOM 1188 C TRP B 187 -11.813 -4.494 -2.406 1.00 0.00 C ATOM 1189 O TRP B 187 -11.746 -4.631 -3.628 1.00 0.00 O ATOM 1190 CB TRP B 187 -13.623 -6.221 -2.493 1.00 0.00 C ATOM 1191 CG TRP B 187 -13.965 -7.531 -1.852 1.00 0.00 C ATOM 1192 CD1 TRP B 187 -13.106 -8.387 -1.225 1.00 0.00 C ATOM 1193 CD2 TRP B 187 -15.262 -8.133 -1.775 1.00 0.00 C ATOM 1194 NE1 TRP B 187 -13.790 -9.485 -0.762 1.00 0.00 N ATOM 1195 CE2 TRP B 187 -15.115 -9.353 -1.088 1.00 0.00 C ATOM 1196 CE3 TRP B 187 -16.533 -7.760 -2.220 1.00 0.00 C ATOM 1197 CZ2 TRP B 187 -16.191 -10.200 -0.835 1.00 0.00 C ATOM 1198 CZ3 TRP B 187 -17.601 -8.602 -1.969 1.00 0.00 C ATOM 1199 CH2 TRP B 187 -17.424 -9.809 -1.282 1.00 0.00 C ATOM 0 H TRP B 187 -14.148 -3.682 -1.430 1.00 0.00 H new ATOM 0 HA TRP B 187 -12.265 -5.888 -0.859 1.00 0.00 H new ATOM 0 HB2 TRP B 187 -14.544 -5.719 -2.790 1.00 0.00 H new ATOM 0 HB3 TRP B 187 -13.054 -6.408 -3.403 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -12.044 -8.225 -1.110 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -13.379 -10.271 -0.258 1.00 0.00 H new ATOM 0 HE3 TRP B 187 -16.679 -6.831 -2.751 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -16.057 -11.132 -0.305 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -18.588 -8.324 -2.309 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -18.278 -10.445 -1.101 1.00 0.00 H new ATOM 1210 N VAL B 188 -11.025 -3.664 -1.730 1.00 0.00 N ATOM 1211 CA VAL B 188 -10.019 -2.854 -2.409 1.00 0.00 C ATOM 1212 C VAL B 188 -8.695 -2.872 -1.656 1.00 0.00 C ATOM 1213 O VAL B 188 -7.728 -3.478 -2.115 1.00 0.00 O ATOM 1214 CB VAL B 188 -10.476 -1.396 -2.614 1.00 0.00 C ATOM 1215 CG1 VAL B 188 -11.137 -1.239 -3.976 1.00 0.00 C ATOM 1216 CG2 VAL B 188 -11.415 -0.953 -1.500 1.00 0.00 C ATOM 0 H VAL B 188 -11.063 -3.535 -0.719 1.00 0.00 H new ATOM 0 HA VAL B 188 -9.880 -3.304 -3.392 1.00 0.00 H new ATOM 0 HB VAL B 188 -9.597 -0.753 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL B 188 -11.455 -0.205 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL B 188 -10.425 -1.503 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL B 188 -12.004 -1.896 -4.037 1.00 0.00 H new ATOM 0 HG21 VAL B 188 -11.721 0.079 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL B 188 -12.295 -1.595 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -10.902 -1.025 -0.541 1.00 0.00 H new ATOM 1226 N TYR B 189 -8.647 -2.214 -0.500 1.00 0.00 N ATOM 1227 CA TYR B 189 -7.431 -2.182 0.294 1.00 0.00 C ATOM 1228 C TYR B 189 -6.303 -1.504 -0.472 1.00 0.00 C ATOM 1229 O TYR B 189 -5.700 -2.112 -1.351 1.00 0.00 O ATOM 1230 CB TYR B 189 -7.031 -3.611 0.683 1.00 0.00 C ATOM 1231 CG TYR B 189 -5.595 -3.754 1.130 1.00 0.00 C ATOM 1232 CD1 TYR B 189 -4.571 -3.924 0.208 1.00 0.00 C ATOM 1233 CD2 TYR B 189 -5.269 -3.722 2.475 1.00 0.00 C ATOM 1234 CE1 TYR B 189 -3.261 -4.056 0.617 1.00 0.00 C ATOM 1235 CE2 TYR B 189 -3.961 -3.854 2.895 1.00 0.00 C ATOM 1236 CZ TYR B 189 -2.959 -4.021 1.962 1.00 0.00 C ATOM 1237 OH TYR B 189 -1.654 -4.156 2.374 1.00 0.00 O ATOM 0 H TYR B 189 -9.432 -1.701 -0.098 1.00 0.00 H new ATOM 0 HA TYR B 189 -7.618 -1.604 1.199 1.00 0.00 H new ATOM 0 HB2 TYR B 189 -7.685 -3.953 1.485 1.00 0.00 H new ATOM 0 HB3 TYR B 189 -7.201 -4.268 -0.170 1.00 0.00 H new ATOM 0 HD1 TYR B 189 -4.804 -3.953 -0.846 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -6.051 -3.592 3.208 1.00 0.00 H new ATOM 0 HE1 TYR B 189 -2.475 -4.186 -0.112 1.00 0.00 H new ATOM 0 HE2 TYR B 189 -3.723 -3.827 3.948 1.00 0.00 H new ATOM 0 HH TYR B 189 -1.631 -4.593 3.251 1.00 0.00 H new ATOM 1247 N TYR B 190 -6.024 -0.244 -0.124 1.00 0.00 N ATOM 1248 CA TYR B 190 -4.957 0.534 -0.763 1.00 0.00 C ATOM 1249 C TYR B 190 -5.224 2.035 -0.631 1.00 0.00 C ATOM 1250 O TYR B 190 -4.625 2.701 0.213 1.00 0.00 O ATOM 1251 CB TYR B 190 -4.794 0.149 -2.238 1.00 0.00 C ATOM 1252 CG TYR B 190 -3.599 0.787 -2.904 1.00 0.00 C ATOM 1253 CD1 TYR B 190 -2.341 0.201 -2.822 1.00 0.00 C ATOM 1254 CD2 TYR B 190 -3.725 1.972 -3.611 1.00 0.00 C ATOM 1255 CE1 TYR B 190 -1.244 0.780 -3.429 1.00 0.00 C ATOM 1256 CE2 TYR B 190 -2.633 2.558 -4.220 1.00 0.00 C ATOM 1257 CZ TYR B 190 -1.395 1.959 -4.127 1.00 0.00 C ATOM 1258 OH TYR B 190 -0.305 2.541 -4.733 1.00 0.00 O ATOM 0 H TYR B 190 -6.528 0.263 0.604 1.00 0.00 H new ATOM 0 HA TYR B 190 -4.025 0.300 -0.247 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -4.705 -0.935 -2.314 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -5.696 0.434 -2.780 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -2.220 -0.722 -2.275 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -4.693 2.445 -3.687 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -0.273 0.312 -3.357 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -2.748 3.482 -4.767 1.00 0.00 H new ATOM 0 HH TYR B 190 0.149 1.879 -5.296 1.00 0.00 H new ATOM 1268 N THR B 191 -6.133 2.559 -1.458 1.00 0.00 N ATOM 1269 CA THR B 191 -6.489 3.980 -1.427 1.00 0.00 C ATOM 1270 C THR B 191 -7.364 4.354 -2.622 1.00 0.00 C ATOM 1271 O THR B 191 -7.027 5.253 -3.392 1.00 0.00 O ATOM 1272 CB THR B 191 -5.242 4.871 -1.413 1.00 0.00 C ATOM 1273 OG1 THR B 191 -5.610 6.232 -1.272 1.00 0.00 O ATOM 1274 CG2 THR B 191 -4.402 4.758 -2.666 1.00 0.00 C ATOM 0 H THR B 191 -6.638 2.018 -2.160 1.00 0.00 H new ATOM 0 HA THR B 191 -7.049 4.146 -0.507 1.00 0.00 H new ATOM 0 HB THR B 191 -4.649 4.522 -0.568 1.00 0.00 H new ATOM 0 HG1 THR B 191 -4.808 6.773 -1.117 1.00 0.00 H new ATOM 0 HG21 THR B 191 -3.537 5.416 -2.585 1.00 0.00 H new ATOM 0 HG22 THR B 191 -4.064 3.729 -2.786 1.00 0.00 H new ATOM 0 HG23 THR B 191 -4.998 5.048 -3.531 1.00 0.00 H new ATOM 1282 N CYS B 192 -8.489 3.665 -2.772 1.00 0.00 N ATOM 1283 CA CYS B 192 -9.403 3.939 -3.875 1.00 0.00 C ATOM 1284 C CYS B 192 -10.646 4.636 -3.399 1.00 0.00 C ATOM 1285 O CYS B 192 -11.165 5.542 -4.051 1.00 0.00 O ATOM 1286 CB CYS B 192 -9.860 2.636 -4.566 1.00 0.00 C ATOM 1287 SG CYS B 192 -11.409 1.878 -3.886 1.00 0.00 S ATOM 0 H CYS B 192 -8.789 2.916 -2.148 1.00 0.00 H new ATOM 0 HA CYS B 192 -8.851 4.571 -4.571 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -10.010 2.840 -5.626 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -9.055 1.904 -4.493 1.00 0.00 H new ATOM 1292 N CYS B 193 -11.191 4.105 -2.324 1.00 0.00 N ATOM 1293 CA CYS B 193 -12.456 4.568 -1.838 1.00 0.00 C ATOM 1294 C CYS B 193 -12.620 4.287 -0.344 1.00 0.00 C ATOM 1295 O CYS B 193 -11.706 3.775 0.302 1.00 0.00 O ATOM 1296 CB CYS B 193 -13.530 3.833 -2.659 1.00 0.00 C ATOM 1297 SG CYS B 193 -12.943 3.186 -4.292 1.00 0.00 S ATOM 0 H CYS B 193 -10.771 3.353 -1.777 1.00 0.00 H new ATOM 0 HA CYS B 193 -12.542 5.649 -1.952 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -13.913 3.000 -2.069 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -14.365 4.512 -2.831 1.00 0.00 H new ATOM 1302 N PRO B 194 -13.791 4.623 0.227 1.00 0.00 N ATOM 1303 CA PRO B 194 -14.069 4.408 1.652 1.00 0.00 C ATOM 1304 C PRO B 194 -14.182 2.928 2.018 1.00 0.00 C ATOM 1305 O PRO B 194 -14.296 2.584 3.195 1.00 0.00 O ATOM 1306 CB PRO B 194 -15.417 5.112 1.877 1.00 0.00 C ATOM 1307 CG PRO B 194 -15.644 5.944 0.659 1.00 0.00 C ATOM 1308 CD PRO B 194 -14.931 5.244 -0.460 1.00 0.00 C ATOM 0 HA PRO B 194 -13.261 4.794 2.273 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -16.220 4.387 2.012 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -15.391 5.730 2.775 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -16.708 6.039 0.444 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -15.256 6.953 0.798 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -15.566 4.502 -0.944 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -14.608 5.941 -1.234 1.00 0.00 H new ATOM 1316 N ASP B 195 -14.157 2.056 1.009 1.00 0.00 N ATOM 1317 CA ASP B 195 -14.263 0.613 1.231 1.00 0.00 C ATOM 1318 C ASP B 195 -13.400 0.162 2.411 1.00 0.00 C ATOM 1319 O ASP B 195 -13.893 0.039 3.532 1.00 0.00 O ATOM 1320 CB ASP B 195 -13.869 -0.146 -0.036 1.00 0.00 C ATOM 1321 CG ASP B 195 -15.074 -0.562 -0.859 1.00 0.00 C ATOM 1322 OD1 ASP B 195 -16.148 0.052 -0.690 1.00 0.00 O ATOM 1323 OD2 ASP B 195 -14.941 -1.500 -1.673 1.00 0.00 O ATOM 0 H ASP B 195 -14.064 2.324 0.029 1.00 0.00 H new ATOM 0 HA ASP B 195 -15.301 0.387 1.474 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -13.216 0.481 -0.644 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -13.296 -1.032 0.238 1.00 0.00 H new ATOM 1328 N THR B 196 -12.113 -0.079 2.163 1.00 0.00 N ATOM 1329 CA THR B 196 -11.208 -0.505 3.220 1.00 0.00 C ATOM 1330 C THR B 196 -10.853 0.676 4.123 1.00 0.00 C ATOM 1331 O THR B 196 -10.180 1.612 3.693 1.00 0.00 O ATOM 1332 CB THR B 196 -9.952 -1.135 2.618 1.00 0.00 C ATOM 1333 OG1 THR B 196 -9.353 -0.269 1.668 1.00 0.00 O ATOM 1334 CG2 THR B 196 -10.233 -2.458 1.936 1.00 0.00 C ATOM 0 H THR B 196 -11.679 0.014 1.244 1.00 0.00 H new ATOM 0 HA THR B 196 -11.706 -1.258 3.830 1.00 0.00 H new ATOM 0 HB THR B 196 -9.277 -1.307 3.456 1.00 0.00 H new ATOM 0 HG1 THR B 196 -9.780 0.612 1.713 1.00 0.00 H new ATOM 0 HG21 THR B 196 -9.306 -2.860 1.527 1.00 0.00 H new ATOM 0 HG22 THR B 196 -10.645 -3.161 2.660 1.00 0.00 H new ATOM 0 HG23 THR B 196 -10.950 -2.306 1.129 1.00 0.00 H new ATOM 1342 N PRO B 197 -11.318 0.663 5.388 1.00 0.00 N ATOM 1343 CA PRO B 197 -11.060 1.733 6.338 1.00 0.00 C ATOM 1344 C PRO B 197 -9.833 1.462 7.207 1.00 0.00 C ATOM 1345 O PRO B 197 -8.791 2.095 7.038 1.00 0.00 O ATOM 1346 CB PRO B 197 -12.333 1.741 7.187 1.00 0.00 C ATOM 1347 CG PRO B 197 -12.929 0.366 7.060 1.00 0.00 C ATOM 1348 CD PRO B 197 -12.150 -0.380 5.999 1.00 0.00 C ATOM 0 HA PRO B 197 -10.844 2.682 5.847 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -12.106 1.972 8.228 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -13.030 2.502 6.836 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -12.879 -0.162 8.013 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -13.982 0.430 6.786 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -11.543 -1.175 6.432 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -12.811 -0.845 5.268 1.00 0.00 H new ATOM 1356 N TYR B 198 -9.966 0.520 8.137 1.00 0.00 N ATOM 1357 CA TYR B 198 -8.870 0.168 9.033 1.00 0.00 C ATOM 1358 C TYR B 198 -8.516 -1.310 8.904 1.00 0.00 C ATOM 1359 O TYR B 198 -7.310 -1.635 8.947 1.00 0.00 O ATOM 1360 CB TYR B 198 -9.247 0.491 10.482 1.00 0.00 C ATOM 1361 CG TYR B 198 -8.696 1.811 10.973 1.00 0.00 C ATOM 1362 CD1 TYR B 198 -7.330 1.993 11.148 1.00 0.00 C ATOM 1363 CD2 TYR B 198 -9.543 2.873 11.264 1.00 0.00 C ATOM 1364 CE1 TYR B 198 -6.824 3.197 11.600 1.00 0.00 C ATOM 1365 CE2 TYR B 198 -9.044 4.080 11.715 1.00 0.00 C ATOM 1366 CZ TYR B 198 -7.684 4.237 11.881 1.00 0.00 C ATOM 1367 OH TYR B 198 -7.183 5.438 12.331 1.00 0.00 O ATOM 0 H TYR B 198 -10.822 -0.013 8.289 1.00 0.00 H new ATOM 0 HA TYR B 198 -7.997 0.757 8.751 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -10.333 0.505 10.571 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -8.884 -0.307 11.129 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -6.653 1.181 10.927 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -10.609 2.753 11.136 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -5.760 3.323 11.732 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -9.716 4.896 11.936 1.00 0.00 H new ATOM 0 HH TYR B 198 -7.921 6.065 12.481 1.00 0.00 H new TER 1377 TYR B 198