USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 621 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 8 LYS NZ :NH3+ -165:sc= 0.302 (180deg=-1.8!) USER MOD Set 1.2: A 41 GLN : amide:sc= 0 K(o=0.3,f=-1.8) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0.1 USER MOD Set 2.2: A 19 SER OG : rot 180:sc= 0.0403 USER MOD Single : A 1 GLY N :NH3+ 177:sc= 0.122! (180deg=-0.153) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 167:sc= -0.614 (180deg=-1.33) USER MOD Single : A 12 MET CE :methyl 164:sc= -0.163 (180deg=-0.684) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.48) USER MOD Single : A 16 SER OG : rot -112:sc= 1.86 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.0071) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 47 TYR OH : rot -168:sc= 1.23 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 50 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 151:sc= -1.31 (180deg=-1.83) USER MOD Single : A 58 LYS NZ :NH3+ -156:sc= -1.37 (180deg=-3.15) USER MOD Single : A 59 LYS NZ :NH3+ -124:sc= 1 (180deg=-0.749) USER MOD Single : A 60 GLN : amide:sc= 1.06 K(o=1.1,f=-2.1!) USER MOD Single : A 64 MET CE :methyl -173:sc= 0 (180deg=-0.038) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.239 11.084 6.022 1.00 0.00 N ATOM 2 CA GLY A 1 -8.748 11.438 7.370 1.00 0.00 C ATOM 3 C GLY A 1 -7.725 10.444 7.933 1.00 0.00 C ATOM 4 O GLY A 1 -7.230 10.639 9.038 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.963 11.769 5.725 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.447 11.103 5.348 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.653 10.130 6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.297 12.429 7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.596 11.499 8.052 1.00 0.00 H new ATOM 10 N GLU A 2 -7.433 9.375 7.191 1.00 0.00 N ATOM 11 CA GLU A 2 -6.754 8.192 7.673 1.00 0.00 C ATOM 12 C GLU A 2 -5.241 8.395 7.547 1.00 0.00 C ATOM 13 O GLU A 2 -4.783 9.444 7.091 1.00 0.00 O ATOM 14 CB GLU A 2 -7.288 6.987 6.871 1.00 0.00 C ATOM 15 CG GLU A 2 -8.807 6.750 7.013 1.00 0.00 C ATOM 16 CD GLU A 2 -9.681 7.887 6.486 1.00 0.00 C ATOM 17 OE1 GLU A 2 -9.258 8.546 5.505 1.00 0.00 O ATOM 18 OE2 GLU A 2 -10.686 8.221 7.137 1.00 0.00 O ATOM 0 H GLU A 2 -7.676 9.316 6.202 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.948 8.001 8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.052 7.134 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.761 6.089 7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.069 5.833 6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.039 6.589 8.066 1.00 0.00 H new ATOM 25 N VAL A 3 -4.451 7.401 7.950 1.00 0.00 N ATOM 26 CA VAL A 3 -3.010 7.523 8.010 1.00 0.00 C ATOM 27 C VAL A 3 -2.441 7.244 6.628 1.00 0.00 C ATOM 28 O VAL A 3 -2.681 6.180 6.059 1.00 0.00 O ATOM 29 CB VAL A 3 -2.430 6.536 9.027 1.00 0.00 C ATOM 30 CG1 VAL A 3 -0.908 6.711 9.116 1.00 0.00 C ATOM 31 CG2 VAL A 3 -3.054 6.733 10.410 1.00 0.00 C ATOM 0 H VAL A 3 -4.801 6.489 8.243 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.742 8.531 8.326 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.663 5.527 8.688 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.502 6.006 9.841 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.462 6.523 8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.677 7.729 9.431 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.622 6.018 11.110 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.855 7.747 10.758 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.131 6.575 10.349 1.00 0.00 H new ATOM 41 N VAL A 4 -1.647 8.189 6.128 1.00 0.00 N ATOM 42 CA VAL A 4 -0.846 8.036 4.934 1.00 0.00 C ATOM 43 C VAL A 4 0.377 7.194 5.299 1.00 0.00 C ATOM 44 O VAL A 4 1.158 7.576 6.168 1.00 0.00 O ATOM 45 CB VAL A 4 -0.458 9.432 4.419 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.745 9.372 3.477 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.651 10.071 3.698 1.00 0.00 C ATOM 0 H VAL A 4 -1.546 9.107 6.562 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.390 7.530 4.137 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.179 10.040 5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.989 10.377 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.600 8.951 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.504 8.744 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.370 11.060 3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.944 9.445 2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.488 10.163 4.390 1.00 0.00 H new ATOM 57 N LEU A 5 0.543 6.060 4.620 1.00 0.00 N ATOM 58 CA LEU A 5 1.678 5.157 4.745 1.00 0.00 C ATOM 59 C LEU A 5 2.362 5.116 3.387 1.00 0.00 C ATOM 60 O LEU A 5 1.674 4.961 2.378 1.00 0.00 O ATOM 61 CB LEU A 5 1.146 3.787 5.182 1.00 0.00 C ATOM 62 CG LEU A 5 1.968 2.524 4.857 1.00 0.00 C ATOM 63 CD1 LEU A 5 1.909 2.113 3.379 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.413 2.571 5.365 1.00 0.00 C ATOM 0 H LEU A 5 -0.142 5.734 3.938 1.00 0.00 H new ATOM 0 HA LEU A 5 2.405 5.479 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.006 3.819 6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.159 3.660 4.736 1.00 0.00 H new ATOM 0 HG LEU A 5 1.467 1.739 5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.511 1.217 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.876 1.908 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.299 2.922 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.923 1.646 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.931 3.416 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.414 2.684 6.449 1.00 0.00 H new ATOM 76 N LYS A 6 3.695 5.254 3.372 1.00 0.00 N ATOM 77 CA LYS A 6 4.526 5.058 2.190 1.00 0.00 C ATOM 78 C LYS A 6 5.155 3.664 2.212 1.00 0.00 C ATOM 79 O LYS A 6 5.631 3.217 3.257 1.00 0.00 O ATOM 80 CB LYS A 6 5.621 6.133 2.088 1.00 0.00 C ATOM 81 CG LYS A 6 5.430 7.029 0.853 1.00 0.00 C ATOM 82 CD LYS A 6 5.329 8.506 1.227 1.00 0.00 C ATOM 83 CE LYS A 6 6.742 9.106 1.300 1.00 0.00 C ATOM 84 NZ LYS A 6 6.739 10.492 1.806 1.00 0.00 N ATOM 0 H LYS A 6 4.231 5.510 4.201 1.00 0.00 H new ATOM 0 HA LYS A 6 3.886 5.148 1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.611 6.748 2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.598 5.653 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.266 6.885 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.527 6.727 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.732 9.041 0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.824 8.617 2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.364 8.487 1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.194 9.085 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.714 10.852 1.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.168 11.091 1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.332 10.511 2.763 1.00 0.00 H new ATOM 98 N MET A 7 5.177 2.989 1.061 1.00 0.00 N ATOM 99 CA MET A 7 5.682 1.637 0.919 1.00 0.00 C ATOM 100 C MET A 7 6.496 1.518 -0.373 1.00 0.00 C ATOM 101 O MET A 7 6.175 2.190 -1.352 1.00 0.00 O ATOM 102 CB MET A 7 4.491 0.675 0.966 1.00 0.00 C ATOM 103 CG MET A 7 3.535 0.815 -0.228 1.00 0.00 C ATOM 104 SD MET A 7 2.039 -0.202 -0.127 1.00 0.00 S ATOM 105 CE MET A 7 1.516 -0.280 -1.856 1.00 0.00 C ATOM 0 H MET A 7 4.834 3.384 0.185 1.00 0.00 H new ATOM 0 HA MET A 7 6.359 1.379 1.733 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.864 -0.349 1.003 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.934 0.845 1.887 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.241 1.861 -0.319 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.074 0.555 -1.139 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.755 -1.052 -1.971 1.00 0.00 H new ATOM 0 HE2 MET A 7 1.104 0.684 -2.155 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.373 -0.519 -2.485 1.00 0.00 H new ATOM 115 N LYS A 8 7.532 0.671 -0.377 1.00 0.00 N ATOM 116 CA LYS A 8 8.379 0.420 -1.541 1.00 0.00 C ATOM 117 C LYS A 8 7.808 -0.774 -2.302 1.00 0.00 C ATOM 118 O LYS A 8 7.526 -1.809 -1.694 1.00 0.00 O ATOM 119 CB LYS A 8 9.836 0.170 -1.110 1.00 0.00 C ATOM 120 CG LYS A 8 10.651 1.475 -1.120 1.00 0.00 C ATOM 121 CD LYS A 8 11.088 1.867 -2.547 1.00 0.00 C ATOM 122 CE LYS A 8 12.426 1.215 -2.932 1.00 0.00 C ATOM 123 NZ LYS A 8 12.645 1.196 -4.396 1.00 0.00 N ATOM 0 H LYS A 8 7.807 0.133 0.445 1.00 0.00 H new ATOM 0 HA LYS A 8 8.387 1.293 -2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.853 -0.265 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.297 -0.555 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.055 2.279 -0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.532 1.358 -0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.319 1.566 -3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.179 2.951 -2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.242 1.756 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.453 0.194 -2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.416 0.536 -4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.774 0.888 -4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.899 2.150 -4.721 1.00 0.00 H new ATOM 137 N VAL A 9 7.600 -0.613 -3.612 1.00 0.00 N ATOM 138 CA VAL A 9 6.914 -1.563 -4.477 1.00 0.00 C ATOM 139 C VAL A 9 7.872 -1.998 -5.587 1.00 0.00 C ATOM 140 O VAL A 9 7.727 -1.599 -6.742 1.00 0.00 O ATOM 141 CB VAL A 9 5.612 -0.930 -5.008 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.735 -1.985 -5.694 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.805 -0.287 -3.875 1.00 0.00 C ATOM 0 H VAL A 9 7.919 0.216 -4.113 1.00 0.00 H new ATOM 0 HA VAL A 9 6.623 -2.459 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 9 5.899 -0.163 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.822 -1.516 -6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.280 -2.423 -6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.479 -2.767 -4.979 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.893 0.151 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.546 -1.046 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.401 0.492 -3.400 1.00 0.00 H new ATOM 153 N GLU A 10 8.856 -2.821 -5.223 1.00 0.00 N ATOM 154 CA GLU A 10 9.863 -3.293 -6.159 1.00 0.00 C ATOM 155 C GLU A 10 9.271 -4.332 -7.116 1.00 0.00 C ATOM 156 O GLU A 10 8.133 -4.778 -6.955 1.00 0.00 O ATOM 157 CB GLU A 10 11.061 -3.873 -5.402 1.00 0.00 C ATOM 158 CG GLU A 10 11.571 -2.947 -4.293 1.00 0.00 C ATOM 159 CD GLU A 10 11.957 -1.564 -4.781 1.00 0.00 C ATOM 160 OE1 GLU A 10 11.047 -0.723 -4.958 1.00 0.00 O ATOM 161 OE2 GLU A 10 13.170 -1.270 -4.864 1.00 0.00 O ATOM 0 H GLU A 10 8.973 -3.175 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 10 10.206 -2.446 -6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.780 -4.832 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.870 -4.068 -6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.799 -2.851 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.436 -3.408 -3.816 1.00 0.00 H new ATOM 168 N GLY A 11 10.064 -4.766 -8.097 1.00 0.00 N ATOM 169 CA GLY A 11 9.748 -5.928 -8.915 1.00 0.00 C ATOM 170 C GLY A 11 8.765 -5.615 -10.044 1.00 0.00 C ATOM 171 O GLY A 11 8.989 -6.024 -11.182 1.00 0.00 O ATOM 0 H GLY A 11 10.946 -4.317 -8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.669 -6.326 -9.342 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.328 -6.708 -8.281 1.00 0.00 H new ATOM 175 N MET A 12 7.685 -4.884 -9.752 1.00 0.00 N ATOM 176 CA MET A 12 6.841 -4.317 -10.796 1.00 0.00 C ATOM 177 C MET A 12 7.696 -3.444 -11.730 1.00 0.00 C ATOM 178 O MET A 12 8.724 -2.910 -11.313 1.00 0.00 O ATOM 179 CB MET A 12 5.707 -3.485 -10.182 1.00 0.00 C ATOM 180 CG MET A 12 4.613 -4.300 -9.482 1.00 0.00 C ATOM 181 SD MET A 12 4.952 -4.906 -7.814 1.00 0.00 S ATOM 182 CE MET A 12 3.286 -5.443 -7.365 1.00 0.00 C ATOM 0 H MET A 12 7.379 -4.674 -8.802 1.00 0.00 H new ATOM 0 HA MET A 12 6.395 -5.129 -11.370 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.136 -2.788 -9.463 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.247 -2.888 -10.969 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.713 -3.686 -9.439 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.382 -5.160 -10.110 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.337 -6.098 -6.495 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.674 -4.572 -7.129 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.841 -5.984 -8.200 1.00 0.00 H new ATOM 192 N THR A 13 7.270 -3.282 -12.987 1.00 0.00 N ATOM 193 CA THR A 13 7.975 -2.487 -13.987 1.00 0.00 C ATOM 194 C THR A 13 6.955 -1.756 -14.867 1.00 0.00 C ATOM 195 O THR A 13 6.026 -2.380 -15.378 1.00 0.00 O ATOM 196 CB THR A 13 8.897 -3.395 -14.821 1.00 0.00 C ATOM 197 OG1 THR A 13 8.270 -4.630 -15.103 1.00 0.00 O ATOM 198 CG2 THR A 13 10.215 -3.689 -14.098 1.00 0.00 C ATOM 0 H THR A 13 6.413 -3.708 -13.339 1.00 0.00 H new ATOM 0 HA THR A 13 8.600 -1.740 -13.498 1.00 0.00 H new ATOM 0 HB THR A 13 9.104 -2.855 -15.745 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.874 -5.189 -15.635 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.836 -4.333 -14.721 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.741 -2.754 -13.905 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.007 -4.190 -13.152 1.00 0.00 H new ATOM 206 N CYS A 14 7.122 -0.437 -15.035 1.00 0.00 N ATOM 207 CA CYS A 14 6.212 0.440 -15.776 1.00 0.00 C ATOM 208 C CYS A 14 4.806 0.461 -15.169 1.00 0.00 C ATOM 209 O CYS A 14 4.512 -0.257 -14.216 1.00 0.00 O ATOM 210 CB CYS A 14 6.193 0.107 -17.280 1.00 0.00 C ATOM 211 SG CYS A 14 7.641 0.821 -18.091 1.00 0.00 S ATOM 0 H CYS A 14 7.921 0.063 -14.645 1.00 0.00 H new ATOM 0 HA CYS A 14 6.603 1.453 -15.682 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.183 -0.974 -17.421 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.282 0.496 -17.735 1.00 0.00 H new ATOM 0 HG CYS A 14 7.615 0.532 -19.358 1.00 0.00 H new ATOM 217 N HIS A 15 3.920 1.301 -15.714 1.00 0.00 N ATOM 218 CA HIS A 15 2.543 1.457 -15.250 1.00 0.00 C ATOM 219 C HIS A 15 1.674 0.267 -15.682 1.00 0.00 C ATOM 220 O HIS A 15 0.658 0.436 -16.350 1.00 0.00 O ATOM 221 CB HIS A 15 1.989 2.816 -15.718 1.00 0.00 C ATOM 222 CG HIS A 15 2.198 3.123 -17.185 1.00 0.00 C ATOM 223 ND1 HIS A 15 3.231 3.871 -17.707 1.00 0.00 N ATOM 224 CD2 HIS A 15 1.390 2.753 -18.229 1.00 0.00 C ATOM 225 CE1 HIS A 15 3.055 3.932 -19.038 1.00 0.00 C ATOM 226 NE2 HIS A 15 1.950 3.262 -19.403 1.00 0.00 N ATOM 0 H HIS A 15 4.147 1.902 -16.506 1.00 0.00 H new ATOM 0 HA HIS A 15 2.523 1.456 -14.160 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.921 2.848 -15.504 1.00 0.00 H new ATOM 0 HB3 HIS A 15 2.456 3.604 -15.128 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.483 2.172 -18.157 1.00 0.00 H new ATOM 0 HE1 HIS A 15 3.713 4.449 -19.721 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.591 3.147 -20.351 1.00 0.00 H new ATOM 234 N SER A 16 2.087 -0.945 -15.309 1.00 0.00 N ATOM 235 CA SER A 16 1.415 -2.186 -15.642 1.00 0.00 C ATOM 236 C SER A 16 0.675 -2.670 -14.396 1.00 0.00 C ATOM 237 O SER A 16 -0.520 -2.436 -14.216 1.00 0.00 O ATOM 238 CB SER A 16 2.481 -3.174 -16.139 1.00 0.00 C ATOM 239 OG SER A 16 3.508 -3.360 -15.177 1.00 0.00 O ATOM 0 H SER A 16 2.927 -1.086 -14.748 1.00 0.00 H new ATOM 0 HA SER A 16 0.676 -2.072 -16.435 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.013 -4.133 -16.363 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.915 -2.806 -17.069 1.00 0.00 H new ATOM 0 HG SER A 16 4.346 -2.980 -15.515 1.00 0.00 H new ATOM 245 N CYS A 17 1.418 -3.310 -13.496 1.00 0.00 N ATOM 246 CA CYS A 17 0.973 -3.715 -12.177 1.00 0.00 C ATOM 247 C CYS A 17 0.907 -2.474 -11.289 1.00 0.00 C ATOM 248 O CYS A 17 1.692 -2.318 -10.357 1.00 0.00 O ATOM 249 CB CYS A 17 1.928 -4.780 -11.620 1.00 0.00 C ATOM 250 SG CYS A 17 1.569 -6.390 -12.360 1.00 0.00 S ATOM 0 H CYS A 17 2.387 -3.569 -13.680 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.021 -4.161 -12.216 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.960 -4.498 -11.828 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.826 -4.839 -10.536 1.00 0.00 H new ATOM 0 HG CYS A 17 2.386 -7.280 -11.881 1.00 0.00 H new ATOM 256 N THR A 18 -0.047 -1.592 -11.586 1.00 0.00 N ATOM 257 CA THR A 18 -0.385 -0.435 -10.775 1.00 0.00 C ATOM 258 C THR A 18 -1.890 -0.446 -10.563 1.00 0.00 C ATOM 259 O THR A 18 -2.351 -0.862 -9.508 1.00 0.00 O ATOM 260 CB THR A 18 0.072 0.850 -11.479 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.394 0.865 -12.818 1.00 0.00 O ATOM 262 CG2 THR A 18 1.594 0.944 -11.506 1.00 0.00 C ATOM 0 H THR A 18 -0.621 -1.671 -12.426 1.00 0.00 H new ATOM 0 HA THR A 18 0.121 -0.472 -9.810 1.00 0.00 H new ATOM 0 HB THR A 18 -0.338 1.694 -10.924 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.099 1.689 -13.258 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.893 1.863 -12.010 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.976 0.949 -10.485 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.002 0.087 -12.042 1.00 0.00 H new ATOM 270 N SER A 19 -2.670 -0.027 -11.557 1.00 0.00 N ATOM 271 CA SER A 19 -4.094 0.217 -11.399 1.00 0.00 C ATOM 272 C SER A 19 -4.854 -0.996 -10.881 1.00 0.00 C ATOM 273 O SER A 19 -5.746 -0.861 -10.045 1.00 0.00 O ATOM 274 CB SER A 19 -4.660 0.737 -12.721 1.00 0.00 C ATOM 275 OG SER A 19 -3.729 1.637 -13.296 1.00 0.00 O ATOM 0 H SER A 19 -2.325 0.153 -12.500 1.00 0.00 H new ATOM 0 HA SER A 19 -4.228 0.977 -10.629 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.852 -0.093 -13.401 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.613 1.238 -12.552 1.00 0.00 H new ATOM 0 HG SER A 19 -4.082 1.975 -14.145 1.00 0.00 H new ATOM 281 N THR A 20 -4.464 -2.180 -11.349 1.00 0.00 N ATOM 282 CA THR A 20 -4.909 -3.435 -10.776 1.00 0.00 C ATOM 283 C THR A 20 -4.715 -3.427 -9.258 1.00 0.00 C ATOM 284 O THR A 20 -5.682 -3.587 -8.515 1.00 0.00 O ATOM 285 CB THR A 20 -4.177 -4.590 -11.478 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.875 -4.904 -12.665 1.00 0.00 O ATOM 287 CG2 THR A 20 -4.072 -5.834 -10.600 1.00 0.00 C ATOM 0 H THR A 20 -3.828 -2.289 -12.139 1.00 0.00 H new ATOM 0 HA THR A 20 -5.977 -3.575 -10.940 1.00 0.00 H new ATOM 0 HB THR A 20 -3.159 -4.267 -11.694 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.420 -5.639 -13.127 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.547 -6.619 -11.143 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.522 -5.592 -9.690 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.072 -6.180 -10.338 1.00 0.00 H new ATOM 295 N ILE A 21 -3.474 -3.250 -8.796 1.00 0.00 N ATOM 296 CA ILE A 21 -3.160 -3.163 -7.388 1.00 0.00 C ATOM 297 C ILE A 21 -4.007 -2.066 -6.747 1.00 0.00 C ATOM 298 O ILE A 21 -4.648 -2.335 -5.739 1.00 0.00 O ATOM 299 CB ILE A 21 -1.636 -2.995 -7.212 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.939 -4.360 -7.356 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.231 -2.341 -5.887 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.380 -4.581 -8.759 1.00 0.00 C ATOM 0 H ILE A 21 -2.659 -3.164 -9.404 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.418 -4.081 -6.861 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.312 -2.314 -7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.129 -4.430 -6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.648 -5.154 -7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.145 -2.258 -5.839 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.674 -1.347 -5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.585 -2.952 -5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.102 -5.558 -8.809 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.192 -4.539 -9.485 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.350 -3.804 -8.986 1.00 0.00 H new ATOM 314 N GLU A 22 -4.057 -0.865 -7.325 1.00 0.00 N ATOM 315 CA GLU A 22 -4.791 0.244 -6.745 1.00 0.00 C ATOM 316 C GLU A 22 -6.246 -0.141 -6.475 1.00 0.00 C ATOM 317 O GLU A 22 -6.687 -0.213 -5.333 1.00 0.00 O ATOM 318 CB GLU A 22 -4.704 1.487 -7.639 1.00 0.00 C ATOM 319 CG GLU A 22 -3.276 2.041 -7.720 1.00 0.00 C ATOM 320 CD GLU A 22 -3.284 3.528 -8.044 1.00 0.00 C ATOM 321 OE1 GLU A 22 -4.151 3.931 -8.846 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.433 4.233 -7.461 1.00 0.00 O ATOM 0 H GLU A 22 -3.590 -0.641 -8.204 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.329 0.488 -5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.053 1.237 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.370 2.258 -7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.764 1.875 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.716 1.502 -8.484 1.00 0.00 H new ATOM 329 N GLY A 23 -6.979 -0.397 -7.552 1.00 0.00 N ATOM 330 CA GLY A 23 -8.372 -0.815 -7.536 1.00 0.00 C ATOM 331 C GLY A 23 -8.613 -1.988 -6.583 1.00 0.00 C ATOM 332 O GLY A 23 -9.498 -1.918 -5.732 1.00 0.00 O ATOM 0 H GLY A 23 -6.603 -0.315 -8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.999 0.026 -7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.676 -1.099 -8.543 1.00 0.00 H new ATOM 336 N LYS A 24 -7.831 -3.066 -6.721 1.00 0.00 N ATOM 337 CA LYS A 24 -7.914 -4.238 -5.856 1.00 0.00 C ATOM 338 C LYS A 24 -7.831 -3.798 -4.391 1.00 0.00 C ATOM 339 O LYS A 24 -8.727 -4.069 -3.596 1.00 0.00 O ATOM 340 CB LYS A 24 -6.769 -5.199 -6.226 1.00 0.00 C ATOM 341 CG LYS A 24 -6.681 -6.509 -5.429 1.00 0.00 C ATOM 342 CD LYS A 24 -7.540 -7.628 -6.038 1.00 0.00 C ATOM 343 CE LYS A 24 -7.103 -8.986 -5.462 1.00 0.00 C ATOM 344 NZ LYS A 24 -7.790 -10.127 -6.105 1.00 0.00 N ATOM 0 H LYS A 24 -7.117 -3.145 -7.445 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.863 -4.756 -5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.864 -5.450 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.826 -4.665 -6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.642 -6.835 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.000 -6.328 -4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.593 -7.451 -5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.435 -7.631 -7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.026 -9.099 -5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.304 -9.003 -4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.459 -11.016 -5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.817 -10.038 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.578 -10.131 -7.123 1.00 0.00 H new ATOM 358 N ILE A 25 -6.744 -3.120 -4.036 1.00 0.00 N ATOM 359 CA ILE A 25 -6.453 -2.681 -2.688 1.00 0.00 C ATOM 360 C ILE A 25 -7.524 -1.717 -2.180 1.00 0.00 C ATOM 361 O ILE A 25 -7.906 -1.787 -1.016 1.00 0.00 O ATOM 362 CB ILE A 25 -5.025 -2.116 -2.687 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.961 -3.196 -2.929 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.713 -1.224 -1.492 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.849 -4.157 -1.761 1.00 0.00 C ATOM 0 H ILE A 25 -6.022 -2.856 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.486 -3.507 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.981 -1.448 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.208 -3.752 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.995 -2.721 -3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.686 -0.865 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.395 -0.374 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.834 -1.794 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.085 -4.904 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.575 -3.606 -0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.807 -4.653 -1.605 1.00 0.00 H new ATOM 377 N GLY A 26 -8.074 -0.884 -3.063 1.00 0.00 N ATOM 378 CA GLY A 26 -9.206 -0.014 -2.795 1.00 0.00 C ATOM 379 C GLY A 26 -10.412 -0.742 -2.192 1.00 0.00 C ATOM 380 O GLY A 26 -11.244 -0.104 -1.555 1.00 0.00 O ATOM 0 H GLY A 26 -7.727 -0.798 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.892 0.777 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.511 0.468 -3.724 1.00 0.00 H new ATOM 384 N LYS A 27 -10.531 -2.060 -2.394 1.00 0.00 N ATOM 385 CA LYS A 27 -11.635 -2.848 -1.879 1.00 0.00 C ATOM 386 C LYS A 27 -11.303 -3.374 -0.480 1.00 0.00 C ATOM 387 O LYS A 27 -12.206 -3.815 0.229 1.00 0.00 O ATOM 388 CB LYS A 27 -12.007 -3.914 -2.930 1.00 0.00 C ATOM 389 CG LYS A 27 -12.373 -5.287 -2.364 1.00 0.00 C ATOM 390 CD LYS A 27 -12.667 -6.257 -3.515 1.00 0.00 C ATOM 391 CE LYS A 27 -12.775 -7.697 -2.993 1.00 0.00 C ATOM 392 NZ LYS A 27 -13.201 -8.638 -4.049 1.00 0.00 N ATOM 0 H LYS A 27 -9.853 -2.605 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.533 -2.249 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.848 -3.545 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.168 -4.033 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.555 -5.669 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.244 -5.203 -1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.596 -5.973 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.876 -6.194 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.810 -8.012 -2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.487 -7.731 -2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.261 -9.598 -3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.133 -8.354 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.509 -8.625 -4.825 1.00 0.00 H new ATOM 406 N LEU A 28 -10.029 -3.379 -0.068 1.00 0.00 N ATOM 407 CA LEU A 28 -9.655 -3.994 1.177 1.00 0.00 C ATOM 408 C LEU A 28 -10.162 -3.195 2.376 1.00 0.00 C ATOM 409 O LEU A 28 -10.037 -1.971 2.453 1.00 0.00 O ATOM 410 CB LEU A 28 -8.142 -4.149 1.270 1.00 0.00 C ATOM 411 CG LEU A 28 -7.463 -5.148 0.320 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.875 -6.271 1.154 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.362 -5.802 -0.723 1.00 0.00 C ATOM 0 H LEU A 28 -9.256 -2.962 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.120 -4.979 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.694 -3.170 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.898 -4.440 2.292 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.730 -4.558 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.387 -6.993 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.144 -5.862 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.671 -6.766 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.773 -6.486 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.157 -6.356 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.800 -5.033 -1.359 1.00 0.00 H new ATOM 425 N GLN A 29 -10.687 -3.938 3.346 1.00 0.00 N ATOM 426 CA GLN A 29 -11.167 -3.430 4.617 1.00 0.00 C ATOM 427 C GLN A 29 -10.102 -2.564 5.304 1.00 0.00 C ATOM 428 O GLN A 29 -9.085 -3.075 5.768 1.00 0.00 O ATOM 429 CB GLN A 29 -11.670 -4.604 5.466 1.00 0.00 C ATOM 430 CG GLN A 29 -10.545 -5.584 5.810 1.00 0.00 C ATOM 431 CD GLN A 29 -11.046 -7.019 5.917 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.389 -7.629 4.910 1.00 0.00 O ATOM 433 NE2 GLN A 29 -11.090 -7.574 7.124 1.00 0.00 N ATOM 0 H GLN A 29 -10.792 -4.949 3.260 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.013 -2.760 4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.113 -4.223 6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.458 -5.130 4.927 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.770 -5.527 5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.085 -5.290 6.753 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.798 -7.040 7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.416 -8.534 7.232 1.00 0.00 H new ATOM 442 N GLY A 30 -10.334 -1.250 5.358 1.00 0.00 N ATOM 443 CA GLY A 30 -9.465 -0.303 6.041 1.00 0.00 C ATOM 444 C GLY A 30 -8.888 0.750 5.104 1.00 0.00 C ATOM 445 O GLY A 30 -8.504 1.819 5.575 1.00 0.00 O ATOM 0 H GLY A 30 -11.145 -0.813 4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.026 0.191 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.648 -0.845 6.518 1.00 0.00 H new ATOM 449 N VAL A 31 -8.805 0.467 3.802 1.00 0.00 N ATOM 450 CA VAL A 31 -8.229 1.388 2.848 1.00 0.00 C ATOM 451 C VAL A 31 -9.245 2.467 2.483 1.00 0.00 C ATOM 452 O VAL A 31 -10.438 2.193 2.365 1.00 0.00 O ATOM 453 CB VAL A 31 -7.760 0.568 1.641 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.579 1.419 0.389 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.439 -0.113 1.996 1.00 0.00 C ATOM 0 H VAL A 31 -9.137 -0.406 3.391 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.370 1.915 3.264 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.531 -0.169 1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.246 0.788 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.528 1.887 0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.834 2.191 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.093 -0.701 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.694 0.644 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.587 -0.769 2.854 1.00 0.00 H new ATOM 465 N GLN A 32 -8.750 3.693 2.299 1.00 0.00 N ATOM 466 CA GLN A 32 -9.530 4.840 1.870 1.00 0.00 C ATOM 467 C GLN A 32 -9.056 5.376 0.521 1.00 0.00 C ATOM 468 O GLN A 32 -9.885 5.738 -0.311 1.00 0.00 O ATOM 469 CB GLN A 32 -9.546 5.896 2.971 1.00 0.00 C ATOM 470 CG GLN A 32 -10.853 5.833 3.764 1.00 0.00 C ATOM 471 CD GLN A 32 -11.971 6.587 3.045 1.00 0.00 C ATOM 472 OE1 GLN A 32 -12.140 7.788 3.231 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.733 5.911 2.190 1.00 0.00 N ATOM 0 H GLN A 32 -7.766 3.914 2.451 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.561 4.528 1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.701 5.742 3.642 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.429 6.887 2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.145 4.793 3.907 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.701 6.260 4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.578 4.913 2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.472 6.391 1.676 1.00 0.00 H new ATOM 482 N ARG A 33 -7.742 5.428 0.275 1.00 0.00 N ATOM 483 CA ARG A 33 -7.220 5.790 -1.038 1.00 0.00 C ATOM 484 C ARG A 33 -5.848 5.142 -1.229 1.00 0.00 C ATOM 485 O ARG A 33 -5.235 4.688 -0.259 1.00 0.00 O ATOM 486 CB ARG A 33 -7.142 7.324 -1.192 1.00 0.00 C ATOM 487 CG ARG A 33 -7.464 7.800 -2.619 1.00 0.00 C ATOM 488 CD ARG A 33 -8.961 8.101 -2.792 1.00 0.00 C ATOM 489 NE ARG A 33 -9.319 9.432 -2.270 1.00 0.00 N ATOM 490 CZ ARG A 33 -9.102 10.593 -2.911 1.00 0.00 C ATOM 491 NH1 ARG A 33 -8.481 10.592 -4.097 1.00 0.00 N ATOM 492 NH2 ARG A 33 -9.496 11.750 -2.366 1.00 0.00 N ATOM 0 H ARG A 33 -7.025 5.223 0.971 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.895 5.422 -1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.837 7.790 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.142 7.661 -0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.884 8.695 -2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.161 7.036 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.223 8.043 -3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.546 7.340 -2.276 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.765 9.475 -1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.174 9.712 -4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.315 11.471 -4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.964 11.754 -1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.329 12.628 -2.857 1.00 0.00 H new ATOM 506 N ILE A 34 -5.371 5.129 -2.476 1.00 0.00 N ATOM 507 CA ILE A 34 -4.092 4.584 -2.882 1.00 0.00 C ATOM 508 C ILE A 34 -3.523 5.465 -3.999 1.00 0.00 C ATOM 509 O ILE A 34 -4.290 6.034 -4.772 1.00 0.00 O ATOM 510 CB ILE A 34 -4.274 3.111 -3.290 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.919 2.503 -3.678 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.298 2.940 -4.432 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.841 1.015 -3.330 1.00 0.00 C ATOM 0 H ILE A 34 -5.897 5.518 -3.259 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.371 4.590 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.674 2.578 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.755 2.635 -4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.120 3.038 -3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.390 1.883 -4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.267 3.323 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.961 3.493 -5.309 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.866 0.624 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.979 0.885 -2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.623 0.475 -3.864 1.00 0.00 H new ATOM 525 N LYS A 35 -2.196 5.622 -4.019 1.00 0.00 N ATOM 526 CA LYS A 35 -1.398 6.270 -5.048 1.00 0.00 C ATOM 527 C LYS A 35 -0.127 5.430 -5.229 1.00 0.00 C ATOM 528 O LYS A 35 0.805 5.572 -4.438 1.00 0.00 O ATOM 529 CB LYS A 35 -0.998 7.674 -4.570 1.00 0.00 C ATOM 530 CG LYS A 35 -2.138 8.704 -4.567 1.00 0.00 C ATOM 531 CD LYS A 35 -2.198 9.412 -3.205 1.00 0.00 C ATOM 532 CE LYS A 35 -2.973 10.733 -3.299 1.00 0.00 C ATOM 533 NZ LYS A 35 -2.950 11.478 -2.023 1.00 0.00 N ATOM 0 H LYS A 35 -1.615 5.271 -3.258 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.957 6.352 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.594 7.597 -3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.195 8.044 -5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.982 9.435 -5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.087 8.209 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.675 8.759 -2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.186 9.606 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.543 11.351 -4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.006 10.529 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.484 12.364 -2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.383 10.899 -1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.966 11.696 -1.766 1.00 0.00 H new ATOM 547 N VAL A 36 -0.073 4.550 -6.228 1.00 0.00 N ATOM 548 CA VAL A 36 1.101 3.743 -6.546 1.00 0.00 C ATOM 549 C VAL A 36 1.898 4.434 -7.656 1.00 0.00 C ATOM 550 O VAL A 36 1.398 4.580 -8.769 1.00 0.00 O ATOM 551 CB VAL A 36 0.662 2.319 -6.928 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.835 1.500 -7.480 1.00 0.00 C ATOM 553 CG2 VAL A 36 0.113 1.585 -5.700 1.00 0.00 C ATOM 0 H VAL A 36 -0.862 4.376 -6.851 1.00 0.00 H new ATOM 0 HA VAL A 36 1.755 3.653 -5.678 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.107 2.416 -7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.490 0.499 -7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.233 1.989 -8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.617 1.429 -6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.194 0.579 -5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.887 1.525 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.746 2.128 -5.305 1.00 0.00 H new ATOM 563 N SER A 37 3.137 4.852 -7.367 1.00 0.00 N ATOM 564 CA SER A 37 3.975 5.585 -8.306 1.00 0.00 C ATOM 565 C SER A 37 5.107 4.672 -8.778 1.00 0.00 C ATOM 566 O SER A 37 6.230 4.746 -8.277 1.00 0.00 O ATOM 567 CB SER A 37 4.475 6.866 -7.634 1.00 0.00 C ATOM 568 OG SER A 37 5.061 7.726 -8.590 1.00 0.00 O ATOM 0 H SER A 37 3.584 4.686 -6.465 1.00 0.00 H new ATOM 0 HA SER A 37 3.414 5.886 -9.191 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.646 7.372 -7.139 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.204 6.619 -6.862 1.00 0.00 H new ATOM 0 HG SER A 37 5.375 8.542 -8.147 1.00 0.00 H new ATOM 574 N LEU A 38 4.808 3.787 -9.735 1.00 0.00 N ATOM 575 CA LEU A 38 5.767 2.811 -10.237 1.00 0.00 C ATOM 576 C LEU A 38 7.059 3.477 -10.707 1.00 0.00 C ATOM 577 O LEU A 38 8.142 2.989 -10.397 1.00 0.00 O ATOM 578 CB LEU A 38 5.119 1.940 -11.326 1.00 0.00 C ATOM 579 CG LEU A 38 5.256 0.441 -11.039 1.00 0.00 C ATOM 580 CD1 LEU A 38 6.700 -0.016 -11.256 1.00 0.00 C ATOM 581 CD2 LEU A 38 4.763 0.032 -9.644 1.00 0.00 C ATOM 0 H LEU A 38 3.892 3.731 -10.180 1.00 0.00 H new ATOM 0 HA LEU A 38 6.052 2.152 -9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.063 2.195 -11.410 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.579 2.166 -12.288 1.00 0.00 H new ATOM 0 HG LEU A 38 4.603 -0.065 -11.749 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.779 -1.083 -11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.991 0.175 -12.289 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.360 0.534 -10.586 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.891 -1.042 -9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.339 0.561 -8.885 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.708 0.286 -9.542 1.00 0.00 H new ATOM 593 N ASP A 39 6.946 4.619 -11.388 1.00 0.00 N ATOM 594 CA ASP A 39 8.052 5.509 -11.713 1.00 0.00 C ATOM 595 C ASP A 39 8.978 5.671 -10.516 1.00 0.00 C ATOM 596 O ASP A 39 10.186 5.461 -10.614 1.00 0.00 O ATOM 597 CB ASP A 39 7.508 6.900 -12.060 1.00 0.00 C ATOM 598 CG ASP A 39 6.436 6.857 -13.143 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.411 6.184 -12.882 1.00 0.00 O ATOM 600 OD2 ASP A 39 6.665 7.472 -14.206 1.00 0.00 O ATOM 0 H ASP A 39 6.050 4.957 -11.738 1.00 0.00 H new ATOM 0 HA ASP A 39 8.595 5.077 -12.554 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.094 7.358 -11.162 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.329 7.535 -12.392 1.00 0.00 H new ATOM 605 N ASN A 40 8.393 6.083 -9.387 1.00 0.00 N ATOM 606 CA ASN A 40 9.158 6.407 -8.200 1.00 0.00 C ATOM 607 C ASN A 40 9.579 5.134 -7.462 1.00 0.00 C ATOM 608 O ASN A 40 10.464 5.172 -6.612 1.00 0.00 O ATOM 609 CB ASN A 40 8.369 7.321 -7.249 1.00 0.00 C ATOM 610 CG ASN A 40 9.260 8.321 -6.510 1.00 0.00 C ATOM 611 OD1 ASN A 40 10.355 8.657 -6.948 1.00 0.00 O ATOM 612 ND2 ASN A 40 8.782 8.853 -5.389 1.00 0.00 N ATOM 0 H ASN A 40 7.385 6.197 -9.280 1.00 0.00 H new ATOM 0 HA ASN A 40 10.049 6.943 -8.528 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.615 7.865 -7.818 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.838 6.708 -6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.328 9.550 -4.882 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.870 8.564 -5.036 1.00 0.00 H new ATOM 619 N GLN A 41 8.880 4.022 -7.738 1.00 0.00 N ATOM 620 CA GLN A 41 8.999 2.707 -7.105 1.00 0.00 C ATOM 621 C GLN A 41 8.420 2.708 -5.693 1.00 0.00 C ATOM 622 O GLN A 41 8.499 1.714 -4.970 1.00 0.00 O ATOM 623 CB GLN A 41 10.441 2.202 -7.127 1.00 0.00 C ATOM 624 CG GLN A 41 11.041 2.430 -8.508 1.00 0.00 C ATOM 625 CD GLN A 41 12.445 1.855 -8.635 1.00 0.00 C ATOM 626 OE1 GLN A 41 13.101 1.569 -7.636 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.920 1.695 -9.868 1.00 0.00 N ATOM 0 H GLN A 41 8.164 4.023 -8.465 1.00 0.00 H new ATOM 0 HA GLN A 41 8.405 2.008 -7.694 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.031 2.723 -6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.469 1.141 -6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.396 1.976 -9.260 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.069 3.500 -8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.345 1.944 -10.673 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.859 1.323 -10.008 1.00 0.00 H new ATOM 636 N GLU A 42 7.829 3.838 -5.314 1.00 0.00 N ATOM 637 CA GLU A 42 7.166 4.058 -4.041 1.00 0.00 C ATOM 638 C GLU A 42 5.657 4.163 -4.276 1.00 0.00 C ATOM 639 O GLU A 42 5.201 4.568 -5.348 1.00 0.00 O ATOM 640 CB GLU A 42 7.748 5.306 -3.339 1.00 0.00 C ATOM 641 CG GLU A 42 7.802 5.090 -1.809 1.00 0.00 C ATOM 642 CD GLU A 42 8.422 6.241 -1.013 1.00 0.00 C ATOM 643 OE1 GLU A 42 8.226 7.402 -1.434 1.00 0.00 O ATOM 644 OE2 GLU A 42 8.996 5.962 0.067 1.00 0.00 O ATOM 0 H GLU A 42 7.800 4.660 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 42 7.343 3.216 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.749 5.511 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.136 6.178 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.788 4.922 -1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.369 4.181 -1.606 1.00 0.00 H new ATOM 651 N ALA A 43 4.876 3.793 -3.265 1.00 0.00 N ATOM 652 CA ALA A 43 3.433 3.938 -3.260 1.00 0.00 C ATOM 653 C ALA A 43 3.009 4.536 -1.926 1.00 0.00 C ATOM 654 O ALA A 43 3.742 4.415 -0.943 1.00 0.00 O ATOM 655 CB ALA A 43 2.790 2.575 -3.471 1.00 0.00 C ATOM 0 H ALA A 43 5.242 3.375 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 43 3.111 4.599 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.705 2.680 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.112 2.165 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.092 1.902 -2.668 1.00 0.00 H new ATOM 661 N THR A 44 1.828 5.156 -1.893 1.00 0.00 N ATOM 662 CA THR A 44 1.231 5.778 -0.732 1.00 0.00 C ATOM 663 C THR A 44 -0.185 5.232 -0.630 1.00 0.00 C ATOM 664 O THR A 44 -0.954 5.399 -1.574 1.00 0.00 O ATOM 665 CB THR A 44 1.246 7.312 -0.891 1.00 0.00 C ATOM 666 OG1 THR A 44 2.443 7.827 -0.349 1.00 0.00 O ATOM 667 CG2 THR A 44 0.084 8.020 -0.183 1.00 0.00 C ATOM 0 H THR A 44 1.240 5.236 -2.723 1.00 0.00 H new ATOM 0 HA THR A 44 1.784 5.554 0.180 1.00 0.00 H new ATOM 0 HB THR A 44 1.155 7.502 -1.961 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.455 8.802 -0.451 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.163 9.096 -0.340 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.862 7.662 -0.590 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.124 7.806 0.885 1.00 0.00 H new ATOM 675 N ILE A 45 -0.537 4.595 0.488 1.00 0.00 N ATOM 676 CA ILE A 45 -1.913 4.229 0.786 1.00 0.00 C ATOM 677 C ILE A 45 -2.387 5.081 1.964 1.00 0.00 C ATOM 678 O ILE A 45 -1.558 5.504 2.769 1.00 0.00 O ATOM 679 CB ILE A 45 -1.984 2.736 1.096 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.224 1.978 0.003 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.440 2.240 1.186 1.00 0.00 C ATOM 682 CD1 ILE A 45 -1.256 0.494 0.293 1.00 0.00 C ATOM 0 H ILE A 45 0.129 4.320 1.210 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.566 4.417 -0.066 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.528 2.553 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.673 2.178 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.192 2.327 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.448 1.173 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.960 2.779 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.944 2.417 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.714 -0.041 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.787 0.302 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.290 0.150 0.317 1.00 0.00 H new ATOM 694 N VAL A 46 -3.698 5.328 2.069 1.00 0.00 N ATOM 695 CA VAL A 46 -4.312 5.997 3.208 1.00 0.00 C ATOM 696 C VAL A 46 -5.298 5.032 3.879 1.00 0.00 C ATOM 697 O VAL A 46 -6.236 4.568 3.225 1.00 0.00 O ATOM 698 CB VAL A 46 -4.817 7.393 2.821 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.068 7.333 1.990 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.032 8.335 4.008 1.00 0.00 C ATOM 0 H VAL A 46 -4.369 5.061 1.348 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.590 6.231 3.991 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.008 7.813 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.388 8.345 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.869 6.778 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.855 6.832 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.389 9.300 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.770 7.905 4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.090 8.472 4.539 1.00 0.00 H new ATOM 710 N TYR A 47 -5.010 4.632 5.126 1.00 0.00 N ATOM 711 CA TYR A 47 -5.731 3.584 5.854 1.00 0.00 C ATOM 712 C TYR A 47 -5.515 3.728 7.366 1.00 0.00 C ATOM 713 O TYR A 47 -4.802 4.640 7.781 1.00 0.00 O ATOM 714 CB TYR A 47 -5.267 2.205 5.368 1.00 0.00 C ATOM 715 CG TYR A 47 -3.820 1.855 5.664 1.00 0.00 C ATOM 716 CD1 TYR A 47 -2.833 2.102 4.697 1.00 0.00 C ATOM 717 CD2 TYR A 47 -3.501 1.074 6.789 1.00 0.00 C ATOM 718 CE1 TYR A 47 -1.606 1.421 4.757 1.00 0.00 C ATOM 719 CE2 TYR A 47 -2.287 0.367 6.833 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.342 0.531 5.807 1.00 0.00 C ATOM 721 OH TYR A 47 -0.182 -0.184 5.798 1.00 0.00 O ATOM 0 H TYR A 47 -4.249 5.041 5.668 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.798 3.687 5.658 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.905 1.447 5.822 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.422 2.149 4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.017 2.815 3.907 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.189 1.017 7.620 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.863 1.584 3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.081 -0.302 7.655 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.229 -0.893 6.473 1.00 0.00 H new ATOM 731 N GLN A 48 -6.120 2.864 8.197 1.00 0.00 N ATOM 732 CA GLN A 48 -5.974 2.902 9.645 1.00 0.00 C ATOM 733 C GLN A 48 -5.809 1.525 10.306 1.00 0.00 C ATOM 734 O GLN A 48 -6.456 0.569 9.875 1.00 0.00 O ATOM 735 CB GLN A 48 -7.150 3.652 10.259 1.00 0.00 C ATOM 736 CG GLN A 48 -8.449 3.338 9.527 1.00 0.00 C ATOM 737 CD GLN A 48 -9.687 3.731 10.328 1.00 0.00 C ATOM 738 OE1 GLN A 48 -9.604 4.464 11.307 1.00 0.00 O ATOM 739 NE2 GLN A 48 -10.853 3.226 9.934 1.00 0.00 N ATOM 0 H GLN A 48 -6.729 2.114 7.870 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.040 3.428 9.842 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.248 3.381 11.310 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.959 4.725 10.222 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.458 3.862 8.571 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.488 2.271 9.306 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.895 2.618 9.116 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.705 3.446 10.450 1.00 0.00 H new ATOM 748 N PRO A 49 -4.998 1.428 11.383 1.00 0.00 N ATOM 749 CA PRO A 49 -4.819 0.217 12.178 1.00 0.00 C ATOM 750 C PRO A 49 -6.086 -0.103 12.975 1.00 0.00 C ATOM 751 O PRO A 49 -6.126 0.050 14.195 1.00 0.00 O ATOM 752 CB PRO A 49 -3.632 0.503 13.107 1.00 0.00 C ATOM 753 CG PRO A 49 -3.688 2.016 13.299 1.00 0.00 C ATOM 754 CD PRO A 49 -4.193 2.509 11.944 1.00 0.00 C ATOM 0 HA PRO A 49 -4.628 -0.654 11.551 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.728 -0.026 14.055 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.688 0.189 12.661 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.362 2.297 14.109 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.709 2.430 13.541 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.787 3.416 12.058 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.360 2.754 11.285 1.00 0.00 H new ATOM 762 N HIS A 50 -7.128 -0.552 12.281 1.00 0.00 N ATOM 763 CA HIS A 50 -8.360 -1.048 12.876 1.00 0.00 C ATOM 764 C HIS A 50 -8.854 -2.229 12.051 1.00 0.00 C ATOM 765 O HIS A 50 -9.015 -3.330 12.570 1.00 0.00 O ATOM 766 CB HIS A 50 -9.412 0.072 12.958 1.00 0.00 C ATOM 767 CG HIS A 50 -9.563 0.648 14.344 1.00 0.00 C ATOM 768 ND1 HIS A 50 -8.544 0.890 15.238 1.00 0.00 N ATOM 769 CD2 HIS A 50 -10.743 0.895 14.992 1.00 0.00 C ATOM 770 CE1 HIS A 50 -9.102 1.278 16.396 1.00 0.00 C ATOM 771 NE2 HIS A 50 -10.442 1.297 16.297 1.00 0.00 N ATOM 0 H HIS A 50 -7.136 -0.581 11.261 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.176 -1.382 13.897 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.137 0.870 12.268 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.375 -0.318 12.627 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -7.546 0.792 15.054 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.732 0.797 14.570 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.549 1.539 17.286 1.00 0.00 H new ATOM 779 N LEU A 51 -9.090 -1.997 10.759 1.00 0.00 N ATOM 780 CA LEU A 51 -9.571 -3.037 9.865 1.00 0.00 C ATOM 781 C LEU A 51 -8.404 -3.824 9.267 1.00 0.00 C ATOM 782 O LEU A 51 -8.609 -4.959 8.843 1.00 0.00 O ATOM 783 CB LEU A 51 -10.465 -2.418 8.785 1.00 0.00 C ATOM 784 CG LEU A 51 -11.817 -1.944 9.350 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.446 -0.907 8.414 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.795 -3.114 9.526 1.00 0.00 C ATOM 0 H LEU A 51 -8.953 -1.091 10.312 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.172 -3.749 10.431 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.948 -1.574 8.328 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.639 -3.150 7.997 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.625 -1.499 10.326 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.401 -0.579 8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.779 -0.050 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.606 -1.353 7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.738 -2.743 9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.972 -3.588 8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.370 -3.843 10.216 1.00 0.00 H new ATOM 798 N ILE A 52 -7.193 -3.248 9.239 1.00 0.00 N ATOM 799 CA ILE A 52 -6.013 -3.893 8.714 1.00 0.00 C ATOM 800 C ILE A 52 -4.969 -4.033 9.813 1.00 0.00 C ATOM 801 O ILE A 52 -4.883 -3.188 10.703 1.00 0.00 O ATOM 802 CB ILE A 52 -5.518 -3.109 7.505 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.438 -3.868 6.739 1.00 0.00 C ATOM 804 CG2 ILE A 52 -4.972 -1.755 7.901 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.054 -5.074 6.046 1.00 0.00 C ATOM 0 H ILE A 52 -7.019 -2.306 9.589 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.238 -4.904 8.374 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.386 -2.973 6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.971 -3.213 6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.652 -4.191 7.422 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.629 -1.227 7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.756 -1.175 8.388 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.137 -1.886 8.589 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.281 -5.614 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.500 -5.733 6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.824 -4.740 5.350 1.00 0.00 H new ATOM 817 N SER A 53 -4.123 -5.062 9.718 1.00 0.00 N ATOM 818 CA SER A 53 -3.140 -5.394 10.738 1.00 0.00 C ATOM 819 C SER A 53 -1.836 -4.621 10.573 1.00 0.00 C ATOM 820 O SER A 53 -0.765 -5.121 10.908 1.00 0.00 O ATOM 821 CB SER A 53 -2.882 -6.887 10.733 1.00 0.00 C ATOM 822 OG SER A 53 -4.103 -7.594 10.736 1.00 0.00 O ATOM 0 H SER A 53 -4.106 -5.693 8.917 1.00 0.00 H new ATOM 0 HA SER A 53 -3.555 -5.097 11.701 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.298 -7.159 9.854 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.291 -7.164 11.606 1.00 0.00 H new ATOM 0 HG SER A 53 -3.923 -8.557 10.731 1.00 0.00 H new ATOM 828 N VAL A 54 -1.940 -3.415 10.021 1.00 0.00 N ATOM 829 CA VAL A 54 -0.894 -2.434 9.813 1.00 0.00 C ATOM 830 C VAL A 54 0.018 -2.864 8.670 1.00 0.00 C ATOM 831 O VAL A 54 0.117 -2.182 7.652 1.00 0.00 O ATOM 832 CB VAL A 54 -0.240 -2.049 11.157 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.234 -2.428 11.273 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.356 -0.541 11.369 1.00 0.00 C ATOM 0 H VAL A 54 -2.840 -3.076 9.680 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.296 -1.484 9.459 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.779 -2.616 11.916 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.613 -2.121 12.248 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.342 -3.507 11.165 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.801 -1.927 10.489 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.106 -0.270 12.318 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.151 -0.019 10.557 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.408 -0.255 11.383 1.00 0.00 H new ATOM 844 N GLU A 55 0.630 -4.027 8.828 1.00 0.00 N ATOM 845 CA GLU A 55 1.548 -4.622 7.885 1.00 0.00 C ATOM 846 C GLU A 55 0.768 -5.315 6.772 1.00 0.00 C ATOM 847 O GLU A 55 1.183 -5.266 5.610 1.00 0.00 O ATOM 848 CB GLU A 55 2.455 -5.601 8.636 1.00 0.00 C ATOM 849 CG GLU A 55 3.921 -5.357 8.264 1.00 0.00 C ATOM 850 CD GLU A 55 4.853 -6.324 8.977 1.00 0.00 C ATOM 851 OE1 GLU A 55 4.976 -7.459 8.471 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.428 -5.905 10.002 1.00 0.00 O ATOM 0 H GLU A 55 0.490 -4.604 9.657 1.00 0.00 H new ATOM 0 HA GLU A 55 2.170 -3.857 7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.320 -5.481 9.711 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.176 -6.626 8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.045 -5.461 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.195 -4.333 8.519 1.00 0.00 H new ATOM 859 N GLU A 56 -0.356 -5.955 7.137 1.00 0.00 N ATOM 860 CA GLU A 56 -1.146 -6.770 6.222 1.00 0.00 C ATOM 861 C GLU A 56 -1.315 -6.083 4.872 1.00 0.00 C ATOM 862 O GLU A 56 -1.062 -6.685 3.830 1.00 0.00 O ATOM 863 CB GLU A 56 -2.517 -7.082 6.833 1.00 0.00 C ATOM 864 CG GLU A 56 -2.585 -8.497 7.406 1.00 0.00 C ATOM 865 CD GLU A 56 -2.485 -9.543 6.298 1.00 0.00 C ATOM 866 OE1 GLU A 56 -3.192 -9.357 5.282 1.00 0.00 O ATOM 867 OE2 GLU A 56 -1.685 -10.483 6.476 1.00 0.00 O ATOM 0 H GLU A 56 -0.737 -5.916 8.082 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.609 -7.704 6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.734 -6.362 7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.288 -6.963 6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.776 -8.642 8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.520 -8.628 7.951 1.00 0.00 H new ATOM 874 N MET A 57 -1.707 -4.804 4.904 1.00 0.00 N ATOM 875 CA MET A 57 -1.873 -3.990 3.727 1.00 0.00 C ATOM 876 C MET A 57 -0.755 -4.217 2.711 1.00 0.00 C ATOM 877 O MET A 57 -1.017 -4.538 1.557 1.00 0.00 O ATOM 878 CB MET A 57 -1.974 -2.524 4.155 1.00 0.00 C ATOM 879 CG MET A 57 -3.281 -1.909 3.666 1.00 0.00 C ATOM 880 SD MET A 57 -3.567 -1.927 1.884 1.00 0.00 S ATOM 881 CE MET A 57 -4.863 -3.193 1.810 1.00 0.00 C ATOM 0 H MET A 57 -1.918 -4.311 5.772 1.00 0.00 H new ATOM 0 HA MET A 57 -2.793 -4.278 3.219 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.916 -2.452 5.241 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.130 -1.964 3.753 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.106 -2.434 4.148 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.319 -0.874 4.006 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.511 -3.001 0.954 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.405 -4.177 1.705 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.453 -3.163 2.726 1.00 0.00 H new ATOM 891 N LYS A 58 0.495 -4.080 3.150 1.00 0.00 N ATOM 892 CA LYS A 58 1.644 -4.313 2.296 1.00 0.00 C ATOM 893 C LYS A 58 1.809 -5.800 2.013 1.00 0.00 C ATOM 894 O LYS A 58 2.007 -6.191 0.862 1.00 0.00 O ATOM 895 CB LYS A 58 2.899 -3.708 2.944 1.00 0.00 C ATOM 896 CG LYS A 58 3.646 -2.835 1.937 1.00 0.00 C ATOM 897 CD LYS A 58 4.281 -3.680 0.828 1.00 0.00 C ATOM 898 CE LYS A 58 4.601 -2.832 -0.403 1.00 0.00 C ATOM 899 NZ LYS A 58 4.062 -3.431 -1.633 1.00 0.00 N ATOM 0 H LYS A 58 0.733 -3.806 4.103 1.00 0.00 H new ATOM 0 HA LYS A 58 1.489 -3.821 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.617 -3.113 3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.552 -4.504 3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.957 -2.113 1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.420 -2.265 2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.194 -4.144 1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.603 -4.487 0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.187 -1.832 -0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.681 -2.720 -0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.608 -3.094 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.131 -4.467 -1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.065 -3.156 -1.745 1.00 0.00 H new ATOM 913 N LYS A 59 1.734 -6.633 3.049 1.00 0.00 N ATOM 914 CA LYS A 59 1.976 -8.056 2.894 1.00 0.00 C ATOM 915 C LYS A 59 1.097 -8.694 1.818 1.00 0.00 C ATOM 916 O LYS A 59 1.530 -9.636 1.157 1.00 0.00 O ATOM 917 CB LYS A 59 1.877 -8.771 4.247 1.00 0.00 C ATOM 918 CG LYS A 59 2.908 -8.269 5.273 1.00 0.00 C ATOM 919 CD LYS A 59 4.297 -8.168 4.631 1.00 0.00 C ATOM 920 CE LYS A 59 5.447 -8.137 5.637 1.00 0.00 C ATOM 921 NZ LYS A 59 6.715 -8.468 4.964 1.00 0.00 N ATOM 0 H LYS A 59 1.508 -6.343 4.000 1.00 0.00 H new ATOM 0 HA LYS A 59 2.997 -8.178 2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.874 -8.633 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.015 -9.842 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.605 -7.294 5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.943 -8.948 6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.438 -9.015 3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.339 -7.267 4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.515 -7.150 6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.257 -8.847 6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.161 -9.277 5.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.527 -8.713 3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.353 -7.648 5.003 1.00 0.00 H new ATOM 935 N GLN A 60 -0.095 -8.146 1.572 1.00 0.00 N ATOM 936 CA GLN A 60 -0.962 -8.605 0.504 1.00 0.00 C ATOM 937 C GLN A 60 -0.253 -8.386 -0.829 1.00 0.00 C ATOM 938 O GLN A 60 -0.096 -9.300 -1.633 1.00 0.00 O ATOM 939 CB GLN A 60 -2.277 -7.831 0.566 1.00 0.00 C ATOM 940 CG GLN A 60 -2.975 -8.001 1.926 1.00 0.00 C ATOM 941 CD GLN A 60 -4.267 -8.818 1.899 1.00 0.00 C ATOM 942 OE1 GLN A 60 -4.892 -8.995 0.858 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.695 -9.316 3.053 1.00 0.00 N ATOM 0 H GLN A 60 -0.479 -7.371 2.113 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.183 -9.667 0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.085 -6.773 0.385 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.939 -8.175 -0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.278 -8.476 2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.198 -7.013 2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.160 -9.157 3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.559 -9.858 3.086 1.00 0.00 H new ATOM 952 N ILE A 61 0.211 -7.156 -1.039 1.00 0.00 N ATOM 953 CA ILE A 61 0.980 -6.805 -2.227 1.00 0.00 C ATOM 954 C ILE A 61 2.239 -7.668 -2.346 1.00 0.00 C ATOM 955 O ILE A 61 2.562 -8.108 -3.445 1.00 0.00 O ATOM 956 CB ILE A 61 1.302 -5.307 -2.310 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.051 -4.460 -2.602 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.266 -5.041 -3.480 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.556 -3.931 -1.315 1.00 0.00 C ATOM 0 H ILE A 61 0.065 -6.380 -0.394 1.00 0.00 H new ATOM 0 HA ILE A 61 0.345 -7.021 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 61 1.729 -5.034 -1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.315 -3.627 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.685 -5.062 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.490 -3.975 -3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.190 -5.598 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.802 -5.361 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.439 -3.335 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.840 -4.767 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.175 -3.310 -0.796 1.00 0.00 H new ATOM 971 N GLU A 62 2.966 -7.896 -1.247 1.00 0.00 N ATOM 972 CA GLU A 62 4.146 -8.756 -1.283 1.00 0.00 C ATOM 973 C GLU A 62 3.724 -10.124 -1.847 1.00 0.00 C ATOM 974 O GLU A 62 4.252 -10.603 -2.857 1.00 0.00 O ATOM 975 CB GLU A 62 4.787 -8.837 0.113 1.00 0.00 C ATOM 976 CG GLU A 62 5.317 -7.448 0.510 1.00 0.00 C ATOM 977 CD GLU A 62 5.920 -7.366 1.902 1.00 0.00 C ATOM 978 OE1 GLU A 62 6.386 -8.405 2.420 1.00 0.00 O ATOM 979 OE2 GLU A 62 5.878 -6.258 2.477 1.00 0.00 O ATOM 0 H GLU A 62 2.758 -7.499 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 62 4.916 -8.348 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.054 -9.182 0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.601 -9.562 0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.071 -7.142 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.500 -6.730 0.441 1.00 0.00 H new ATOM 986 N ALA A 63 2.695 -10.697 -1.213 1.00 0.00 N ATOM 987 CA ALA A 63 2.100 -11.985 -1.532 1.00 0.00 C ATOM 988 C ALA A 63 1.584 -12.097 -2.972 1.00 0.00 C ATOM 989 O ALA A 63 1.559 -13.206 -3.502 1.00 0.00 O ATOM 990 CB ALA A 63 0.989 -12.284 -0.526 1.00 0.00 C ATOM 0 H ALA A 63 2.236 -10.245 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 63 2.891 -12.731 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.538 -13.249 -0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.407 -12.312 0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.229 -11.505 -0.581 1.00 0.00 H new ATOM 996 N MET A 64 1.190 -10.992 -3.625 1.00 0.00 N ATOM 997 CA MET A 64 0.849 -11.012 -5.050 1.00 0.00 C ATOM 998 C MET A 64 1.966 -11.668 -5.873 1.00 0.00 C ATOM 999 O MET A 64 1.685 -12.286 -6.898 1.00 0.00 O ATOM 1000 CB MET A 64 0.584 -9.599 -5.590 1.00 0.00 C ATOM 1001 CG MET A 64 -0.652 -8.914 -4.993 1.00 0.00 C ATOM 1002 SD MET A 64 -2.278 -9.572 -5.446 1.00 0.00 S ATOM 1003 CE MET A 64 -2.363 -9.088 -7.184 1.00 0.00 C ATOM 0 H MET A 64 1.101 -10.076 -3.186 1.00 0.00 H new ATOM 0 HA MET A 64 -0.064 -11.599 -5.148 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.458 -8.978 -5.394 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.467 -9.653 -6.672 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.565 -8.952 -3.907 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.624 -7.862 -5.279 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.356 -9.310 -7.575 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.168 -8.019 -7.274 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.616 -9.642 -7.753 1.00 0.00 H new ATOM 1013 N GLY A 65 3.219 -11.528 -5.426 1.00 0.00 N ATOM 1014 CA GLY A 65 4.364 -12.233 -5.991 1.00 0.00 C ATOM 1015 C GLY A 65 5.471 -11.260 -6.377 1.00 0.00 C ATOM 1016 O GLY A 65 6.077 -11.407 -7.435 1.00 0.00 O ATOM 0 H GLY A 65 3.465 -10.912 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.745 -12.953 -5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.050 -12.798 -6.868 1.00 0.00 H new ATOM 1020 N PHE A 66 5.741 -10.275 -5.514 1.00 0.00 N ATOM 1021 CA PHE A 66 6.737 -9.241 -5.764 1.00 0.00 C ATOM 1022 C PHE A 66 7.357 -8.861 -4.421 1.00 0.00 C ATOM 1023 O PHE A 66 6.614 -8.441 -3.539 1.00 0.00 O ATOM 1024 CB PHE A 66 6.060 -8.023 -6.399 1.00 0.00 C ATOM 1025 CG PHE A 66 5.684 -8.237 -7.850 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.697 -8.248 -8.823 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.352 -8.487 -8.229 1.00 0.00 C ATOM 1028 CE1 PHE A 66 6.378 -8.419 -10.177 1.00 0.00 C ATOM 1029 CE2 PHE A 66 4.028 -8.649 -9.589 1.00 0.00 C ATOM 1030 CZ PHE A 66 5.039 -8.594 -10.566 1.00 0.00 C ATOM 0 H PHE A 66 5.267 -10.177 -4.616 1.00 0.00 H new ATOM 0 HA PHE A 66 7.508 -9.600 -6.446 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.163 -7.777 -5.831 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.729 -7.165 -6.327 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.728 -8.124 -8.526 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.579 -8.554 -7.477 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.161 -8.416 -10.921 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.002 -8.816 -9.883 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.787 -8.686 -11.612 1.00 0.00 H new ATOM 1040 N PRO A 67 8.675 -9.003 -4.219 1.00 0.00 N ATOM 1041 CA PRO A 67 9.292 -8.714 -2.935 1.00 0.00 C ATOM 1042 C PRO A 67 9.244 -7.210 -2.678 1.00 0.00 C ATOM 1043 O PRO A 67 10.026 -6.460 -3.254 1.00 0.00 O ATOM 1044 CB PRO A 67 10.723 -9.246 -3.044 1.00 0.00 C ATOM 1045 CG PRO A 67 11.027 -9.143 -4.540 1.00 0.00 C ATOM 1046 CD PRO A 67 9.671 -9.415 -5.196 1.00 0.00 C ATOM 0 HA PRO A 67 8.780 -9.183 -2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.419 -8.652 -2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.798 -10.274 -2.689 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.412 -8.158 -4.805 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.776 -9.872 -4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.565 -8.854 -6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.561 -10.470 -5.447 1.00 0.00 H new ATOM 1054 N ALA A 68 8.309 -6.767 -1.836 1.00 0.00 N ATOM 1055 CA ALA A 68 8.073 -5.364 -1.558 1.00 0.00 C ATOM 1056 C ALA A 68 8.183 -5.132 -0.047 1.00 0.00 C ATOM 1057 O ALA A 68 8.563 -6.052 0.674 1.00 0.00 O ATOM 1058 CB ALA A 68 6.711 -5.031 -2.159 1.00 0.00 C ATOM 0 H ALA A 68 7.687 -7.391 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 68 8.809 -4.695 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.481 -3.981 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.731 -5.219 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.947 -5.655 -1.696 1.00 0.00 H new ATOM 1064 N PHE A 69 7.908 -3.914 0.438 1.00 0.00 N ATOM 1065 CA PHE A 69 8.160 -3.561 1.832 1.00 0.00 C ATOM 1066 C PHE A 69 7.345 -2.358 2.294 1.00 0.00 C ATOM 1067 O PHE A 69 7.150 -1.404 1.538 1.00 0.00 O ATOM 1068 CB PHE A 69 9.661 -3.295 2.056 1.00 0.00 C ATOM 1069 CG PHE A 69 10.315 -4.236 3.046 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.285 -3.949 4.426 1.00 0.00 C ATOM 1071 CD2 PHE A 69 10.953 -5.404 2.589 1.00 0.00 C ATOM 1072 CE1 PHE A 69 10.906 -4.821 5.338 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.568 -6.277 3.502 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.552 -5.982 4.876 1.00 0.00 C ATOM 0 H PHE A 69 7.510 -3.158 -0.120 1.00 0.00 H new ATOM 0 HA PHE A 69 7.844 -4.414 2.432 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.179 -3.373 1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.789 -2.271 2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.786 -3.060 4.782 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.970 -5.630 1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.887 -4.599 6.395 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.053 -7.175 3.148 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.035 -6.646 5.577 1.00 0.00 H new ATOM 1084 N VAL A 70 6.912 -2.403 3.557 1.00 0.00 N ATOM 1085 CA VAL A 70 6.262 -1.312 4.268 1.00 0.00 C ATOM 1086 C VAL A 70 7.330 -0.537 5.046 1.00 0.00 C ATOM 1087 O VAL A 70 8.212 -1.146 5.647 1.00 0.00 O ATOM 1088 CB VAL A 70 5.103 -1.866 5.119 1.00 0.00 C ATOM 1089 CG1 VAL A 70 5.537 -2.156 6.544 1.00 0.00 C ATOM 1090 CG2 VAL A 70 3.903 -0.915 5.174 1.00 0.00 C ATOM 0 H VAL A 70 7.012 -3.240 4.132 1.00 0.00 H new ATOM 0 HA VAL A 70 5.797 -0.596 3.590 1.00 0.00 H new ATOM 0 HB VAL A 70 4.804 -2.790 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.691 -2.545 7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.339 -2.894 6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.894 -1.237 7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.117 -1.356 5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.212 0.036 5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.526 -0.747 4.165 1.00 0.00 H new ATOM 1100 N LYS A 71 7.269 0.797 5.017 1.00 0.00 N ATOM 1101 CA LYS A 71 8.125 1.631 5.861 1.00 0.00 C ATOM 1102 C LYS A 71 7.584 1.701 7.295 1.00 0.00 C ATOM 1103 O LYS A 71 8.079 0.995 8.170 1.00 0.00 O ATOM 1104 CB LYS A 71 8.362 3.018 5.246 1.00 0.00 C ATOM 1105 CG LYS A 71 9.108 2.905 3.908 1.00 0.00 C ATOM 1106 CD LYS A 71 10.068 4.083 3.676 1.00 0.00 C ATOM 1107 CE LYS A 71 9.317 5.401 3.451 1.00 0.00 C ATOM 1108 NZ LYS A 71 10.243 6.534 3.259 1.00 0.00 N ATOM 0 H LYS A 71 6.634 1.322 4.416 1.00 0.00 H new ATOM 0 HA LYS A 71 9.105 1.157 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.407 3.520 5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.938 3.633 5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.670 1.971 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.385 2.862 3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.730 4.185 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.698 3.873 2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.672 5.307 2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.670 5.601 4.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.697 7.407 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.842 6.640 4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.843 6.355 2.429 1.00 0.00 H new ATOM 1122 N LYS A 72 6.599 2.566 7.567 1.00 0.00 N ATOM 1123 CA LYS A 72 6.005 2.689 8.892 1.00 0.00 C ATOM 1124 C LYS A 72 4.597 3.270 8.759 1.00 0.00 C ATOM 1125 O LYS A 72 4.359 4.102 7.885 1.00 0.00 O ATOM 1126 CB LYS A 72 6.895 3.551 9.810 1.00 0.00 C ATOM 1127 CG LYS A 72 6.874 3.080 11.274 1.00 0.00 C ATOM 1128 CD LYS A 72 7.776 1.846 11.462 1.00 0.00 C ATOM 1129 CE LYS A 72 7.606 1.170 12.833 1.00 0.00 C ATOM 1130 NZ LYS A 72 7.986 2.046 13.961 1.00 0.00 N ATOM 0 H LYS A 72 6.197 3.196 6.873 1.00 0.00 H new ATOM 0 HA LYS A 72 5.931 1.704 9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.920 3.528 9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.562 4.588 9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.212 3.886 11.925 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.853 2.838 11.569 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.556 1.121 10.678 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.817 2.144 11.338 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.567 0.862 12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.212 0.265 12.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.850 1.536 14.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.985 2.320 13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.391 2.899 13.954 1.00 0.00 H new ATOM 1144 N ILE A 73 3.682 2.808 9.610 1.00 0.00 N ATOM 1145 CA ILE A 73 2.258 3.110 9.601 1.00 0.00 C ATOM 1146 C ILE A 73 1.826 3.130 11.069 1.00 0.00 C ATOM 1147 O ILE A 73 2.059 2.141 11.759 1.00 0.00 O ATOM 1148 CB ILE A 73 1.495 2.063 8.762 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -0.017 2.001 9.056 1.00 0.00 C ATOM 1150 CG2 ILE A 73 2.155 0.686 8.859 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -0.790 3.137 8.386 1.00 0.00 C ATOM 0 H ILE A 73 3.934 2.175 10.369 1.00 0.00 H new ATOM 0 HA ILE A 73 2.036 4.071 9.137 1.00 0.00 H new ATOM 0 HB ILE A 73 1.566 2.402 7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.412 1.045 8.712 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.177 2.043 10.133 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.594 -0.029 8.257 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.179 0.747 8.490 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.163 0.359 9.899 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.850 3.047 8.625 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.417 4.095 8.749 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.656 3.081 7.306 1.00 0.00 H new ATOM 1163 N GLU A 74 1.252 4.236 11.555 1.00 0.00 N ATOM 1164 CA GLU A 74 0.640 4.319 12.877 1.00 0.00 C ATOM 1165 C GLU A 74 -0.366 5.470 12.889 1.00 0.00 C ATOM 1166 O GLU A 74 -0.211 6.410 12.113 1.00 0.00 O ATOM 1167 CB GLU A 74 1.715 4.515 13.964 1.00 0.00 C ATOM 1168 CG GLU A 74 1.834 3.302 14.897 1.00 0.00 C ATOM 1169 CD GLU A 74 0.654 3.175 15.857 1.00 0.00 C ATOM 1170 OE1 GLU A 74 -0.471 3.536 15.441 1.00 0.00 O ATOM 1171 OE2 GLU A 74 0.906 2.731 16.995 1.00 0.00 O ATOM 0 H GLU A 74 1.201 5.109 11.030 1.00 0.00 H new ATOM 0 HA GLU A 74 0.120 3.386 13.096 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.678 4.700 13.489 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.475 5.400 14.553 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.908 2.395 14.298 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.757 3.381 15.472 1.00 0.00 H new ATOM 1178 N GLY A 75 -1.384 5.391 13.748 1.00 0.00 N ATOM 1179 CA GLY A 75 -2.522 6.299 13.761 1.00 0.00 C ATOM 1180 C GLY A 75 -2.932 6.650 15.185 1.00 0.00 C ATOM 1181 O GLY A 75 -3.412 5.788 15.918 1.00 0.00 O ATOM 0 H GLY A 75 -1.437 4.673 14.471 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.270 7.210 13.218 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.363 5.840 13.241 1.00 0.00 H new ATOM 1185 N ARG A 76 -2.767 7.917 15.569 1.00 0.00 N ATOM 1186 CA ARG A 76 -3.161 8.461 16.852 1.00 0.00 C ATOM 1187 C ARG A 76 -3.129 9.981 16.674 1.00 0.00 C ATOM 1188 O ARG A 76 -2.596 10.399 15.619 1.00 0.00 O ATOM 1189 CB ARG A 76 -2.192 7.963 17.944 1.00 0.00 C ATOM 1190 CG ARG A 76 -2.888 7.686 19.285 1.00 0.00 C ATOM 1191 CD ARG A 76 -2.860 8.894 20.226 1.00 0.00 C ATOM 1192 NE ARG A 76 -1.522 9.082 20.804 1.00 0.00 N ATOM 1193 CZ ARG A 76 -1.186 10.083 21.631 1.00 0.00 C ATOM 1194 NH1 ARG A 76 -2.037 11.097 21.822 1.00 0.00 N ATOM 1195 NH2 ARG A 76 -0.011 10.057 22.269 1.00 0.00 N ATOM 1196 OXT ARG A 76 -3.630 10.690 17.573 1.00 0.00 O ATOM 0 H ARG A 76 -2.336 8.615 14.962 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.154 8.143 17.169 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.703 7.052 17.600 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.410 8.707 18.094 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.923 7.399 19.100 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.405 6.839 19.773 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.153 9.791 19.681 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.588 8.754 21.025 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.799 8.405 20.560 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.936 11.106 21.340 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.787 11.861 22.450 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.629 9.276 22.127 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.245 10.818 22.898 1.00 0.00 H new TER 1210 ARG A 76