USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 614 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 50 HIS : no HD1:sc= 0 X(o=0.45,f=0.31) USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 57 HIS : no HD1:sc= 0.446 K(o=0.45,f=-3.8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 27:sc= 0.445 USER MOD Single : A 12 LYS NZ :NH3+ 145:sc= 2.29 (180deg=-1.77) USER MOD Single : A 18 ASN : amide:sc= -0.753 X(o=-0.75,f=-0.26) USER MOD Single : A 19 THR OG1 : rot 22:sc= 0.748 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 29 THR OG1 : rot -115:sc= 0.972 USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-2.5!,f=0) USER MOD Single : A 38 ASN : amide:sc= 1.22 K(o=1.2,f=-0.00092) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -62:sc= 0.36 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0703) USER MOD Single : A 66 THR OG1 : rot -158:sc= 1.19 USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= -0.0632 (180deg=-0.451) USER MOD Single : A 71 ASN : amide:sc= 2.19 K(o=2.2,f=-0.3) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -174:sc= 0.787 (180deg=0.763) USER MOD Single : A 76 ASN : amide:sc= -3.42! X(o=-3.4!,f=-3.6) USER MOD Single : A 78 THR OG1 : rot -32:sc= 0.121 USER MOD Single : A 80 SER OG : rot -84:sc= 1.19 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 -10.098 1.173 5.695 1.00 0.00 N ATOM 2 CA LYS A 5 -10.560 1.413 4.335 1.00 0.00 C ATOM 3 C LYS A 5 -9.466 2.057 3.490 1.00 0.00 C ATOM 4 O LYS A 5 -9.146 1.575 2.408 1.00 0.00 O ATOM 5 CB LYS A 5 -11.794 2.317 4.335 1.00 0.00 C ATOM 6 CG LYS A 5 -12.978 1.748 5.095 1.00 0.00 C ATOM 7 CD LYS A 5 -14.209 2.613 4.907 1.00 0.00 C ATOM 8 CE LYS A 5 -15.388 2.088 5.703 1.00 0.00 C ATOM 9 NZ LYS A 5 -16.618 2.876 5.439 1.00 0.00 N ATOM 0 HA LYS A 5 -10.820 0.447 3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.526 3.280 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.094 2.505 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.184 0.735 4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.735 1.679 6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.987 3.635 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.471 2.649 3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.563 1.043 5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.154 2.123 6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.405 2.490 5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.458 3.869 5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.854 2.822 4.428 1.00 0.00 H new ATOM 23 N LEU A 6 -8.882 3.135 4.013 1.00 0.00 N ATOM 24 CA LEU A 6 -7.941 3.965 3.255 1.00 0.00 C ATOM 25 C LEU A 6 -6.762 3.156 2.723 1.00 0.00 C ATOM 26 O LEU A 6 -6.267 3.430 1.632 1.00 0.00 O ATOM 27 CB LEU A 6 -7.427 5.134 4.107 1.00 0.00 C ATOM 28 CG LEU A 6 -8.462 6.209 4.470 1.00 0.00 C ATOM 29 CD1 LEU A 6 -9.241 6.652 3.237 1.00 0.00 C ATOM 30 CD2 LEU A 6 -9.406 5.719 5.560 1.00 0.00 C ATOM 0 H LEU A 6 -9.045 3.457 4.967 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.491 4.360 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.013 4.730 5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.607 5.613 3.573 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.922 7.072 4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.968 7.414 3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.552 7.064 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.761 5.796 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.127 6.502 5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.934 4.832 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.833 5.473 6.454 1.00 0.00 H new ATOM 42 N ARG A 7 -6.333 2.156 3.491 1.00 0.00 N ATOM 43 CA ARG A 7 -5.229 1.276 3.091 1.00 0.00 C ATOM 44 C ARG A 7 -5.445 0.713 1.689 1.00 0.00 C ATOM 45 O ARG A 7 -4.499 0.515 0.930 1.00 0.00 O ATOM 46 CB ARG A 7 -5.109 0.106 4.071 1.00 0.00 C ATOM 47 CG ARG A 7 -6.373 -0.735 4.139 1.00 0.00 C ATOM 48 CD ARG A 7 -6.136 -2.095 4.764 1.00 0.00 C ATOM 49 NE ARG A 7 -7.369 -2.878 4.782 1.00 0.00 N ATOM 50 CZ ARG A 7 -7.459 -4.146 4.379 1.00 0.00 C ATOM 51 NH1 ARG A 7 -6.381 -4.790 3.954 1.00 0.00 N ATOM 52 NH2 ARG A 7 -8.631 -4.768 4.400 1.00 0.00 N ATOM 0 H ARG A 7 -6.735 1.931 4.401 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.317 1.873 3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.272 -0.527 3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.880 0.492 5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.129 -0.202 4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.772 -0.866 3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.369 -2.629 4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.762 -1.973 5.781 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.216 -2.425 5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.478 -4.316 3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.454 -5.760 3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.464 -4.276 4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.699 -5.738 4.092 1.00 0.00 H new ATOM 66 N TYR A 8 -6.705 0.468 1.360 1.00 0.00 N ATOM 67 CA TYR A 8 -7.067 -0.169 0.111 1.00 0.00 C ATOM 68 C TYR A 8 -6.845 0.769 -1.069 1.00 0.00 C ATOM 69 O TYR A 8 -6.312 0.368 -2.102 1.00 0.00 O ATOM 70 CB TYR A 8 -8.525 -0.621 0.173 1.00 0.00 C ATOM 71 CG TYR A 8 -9.044 -1.155 -1.132 1.00 0.00 C ATOM 72 CD1 TYR A 8 -8.336 -2.114 -1.838 1.00 0.00 C ATOM 73 CD2 TYR A 8 -10.232 -0.687 -1.667 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.802 -2.598 -3.038 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.708 -1.168 -2.865 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.985 -2.126 -3.546 1.00 0.00 C ATOM 77 OH TYR A 8 -10.443 -2.618 -4.740 1.00 0.00 O ATOM 0 H TYR A 8 -7.500 0.706 1.953 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.427 -1.039 -0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.626 -1.392 0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.145 0.220 0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.404 -2.487 -1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.794 0.067 -1.136 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.239 -3.346 -3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.639 -0.799 -3.269 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.100 -3.526 -4.873 1.00 0.00 H new ATOM 87 N ALA A 9 -7.243 2.020 -0.907 1.00 0.00 N ATOM 88 CA ALA A 9 -7.087 3.003 -1.965 1.00 0.00 C ATOM 89 C ALA A 9 -5.624 3.408 -2.113 1.00 0.00 C ATOM 90 O ALA A 9 -5.189 3.814 -3.193 1.00 0.00 O ATOM 91 CB ALA A 9 -7.973 4.210 -1.703 1.00 0.00 C ATOM 0 H ALA A 9 -7.675 2.378 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.402 2.554 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.844 4.937 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.016 3.894 -1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.696 4.666 -0.752 1.00 0.00 H new ATOM 97 N ILE A 10 -4.866 3.270 -1.024 1.00 0.00 N ATOM 98 CA ILE A 10 -3.429 3.529 -1.038 1.00 0.00 C ATOM 99 C ILE A 10 -2.725 2.620 -2.044 1.00 0.00 C ATOM 100 O ILE A 10 -1.752 3.025 -2.679 1.00 0.00 O ATOM 101 CB ILE A 10 -2.804 3.328 0.366 1.00 0.00 C ATOM 102 CG1 ILE A 10 -3.374 4.343 1.357 1.00 0.00 C ATOM 103 CG2 ILE A 10 -1.286 3.444 0.313 1.00 0.00 C ATOM 104 CD1 ILE A 10 -2.881 4.152 2.778 1.00 0.00 C ATOM 0 H ILE A 10 -5.228 2.978 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.291 4.569 -1.334 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.059 2.323 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.114 5.348 1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.462 4.275 1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.875 3.299 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.886 2.684 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.009 4.433 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.328 4.908 3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.164 3.160 3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.796 4.250 2.803 1.00 0.00 H new ATOM 116 N LEU A 11 -3.240 1.399 -2.198 1.00 0.00 N ATOM 117 CA LEU A 11 -2.670 0.425 -3.128 1.00 0.00 C ATOM 118 C LEU A 11 -2.519 1.018 -4.526 1.00 0.00 C ATOM 119 O LEU A 11 -1.505 0.811 -5.194 1.00 0.00 O ATOM 120 CB LEU A 11 -3.546 -0.830 -3.189 1.00 0.00 C ATOM 121 CG LEU A 11 -3.628 -1.635 -1.893 1.00 0.00 C ATOM 122 CD1 LEU A 11 -4.623 -2.774 -2.037 1.00 0.00 C ATOM 123 CD2 LEU A 11 -2.260 -2.176 -1.511 1.00 0.00 C ATOM 0 H LEU A 11 -4.055 1.061 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.680 0.155 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.555 -0.535 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.166 -1.480 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.971 -0.971 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.669 -3.337 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.609 -2.369 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.306 -3.434 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.340 -2.746 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.890 -2.824 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.568 -1.346 -1.367 1.00 0.00 H new ATOM 135 N LYS A 12 -3.520 1.780 -4.957 1.00 0.00 N ATOM 136 CA LYS A 12 -3.475 2.391 -6.275 1.00 0.00 C ATOM 137 C LYS A 12 -2.424 3.486 -6.306 1.00 0.00 C ATOM 138 O LYS A 12 -1.644 3.569 -7.242 1.00 0.00 O ATOM 139 CB LYS A 12 -4.828 2.976 -6.677 1.00 0.00 C ATOM 140 CG LYS A 12 -4.865 3.429 -8.130 1.00 0.00 C ATOM 141 CD LYS A 12 -6.194 4.068 -8.505 1.00 0.00 C ATOM 142 CE LYS A 12 -6.362 5.445 -7.879 1.00 0.00 C ATOM 143 NZ LYS A 12 -5.283 6.384 -8.286 1.00 0.00 N ATOM 0 H LYS A 12 -4.361 1.986 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.218 1.608 -6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.605 2.229 -6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.059 3.823 -6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.060 4.142 -8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.680 2.573 -8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.262 4.152 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.011 3.422 -8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.328 5.858 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.368 5.350 -6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.673 7.344 -8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.531 6.382 -7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.889 6.084 -9.200 1.00 0.00 H new ATOM 157 N GLU A 13 -2.400 4.311 -5.265 1.00 0.00 N ATOM 158 CA GLU A 13 -1.459 5.425 -5.190 1.00 0.00 C ATOM 159 C GLU A 13 -0.020 4.910 -5.172 1.00 0.00 C ATOM 160 O GLU A 13 0.887 5.545 -5.713 1.00 0.00 O ATOM 161 CB GLU A 13 -1.744 6.277 -3.951 1.00 0.00 C ATOM 162 CG GLU A 13 -3.194 6.733 -3.853 1.00 0.00 C ATOM 163 CD GLU A 13 -3.650 7.532 -5.064 1.00 0.00 C ATOM 164 OE1 GLU A 13 -3.966 6.922 -6.107 1.00 0.00 O ATOM 165 OE2 GLU A 13 -3.708 8.776 -4.979 1.00 0.00 O ATOM 0 H GLU A 13 -3.022 4.230 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.586 6.049 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.489 5.705 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.095 7.153 -3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.836 5.860 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.318 7.340 -2.956 1.00 0.00 H new ATOM 172 N ILE A 14 0.172 3.751 -4.550 1.00 0.00 N ATOM 173 CA ILE A 14 1.451 3.045 -4.591 1.00 0.00 C ATOM 174 C ILE A 14 1.842 2.756 -6.040 1.00 0.00 C ATOM 175 O ILE A 14 2.974 2.999 -6.456 1.00 0.00 O ATOM 176 CB ILE A 14 1.379 1.714 -3.799 1.00 0.00 C ATOM 177 CG1 ILE A 14 1.208 1.995 -2.302 1.00 0.00 C ATOM 178 CG2 ILE A 14 2.616 0.856 -4.043 1.00 0.00 C ATOM 179 CD1 ILE A 14 1.013 0.747 -1.466 1.00 0.00 C ATOM 0 H ILE A 14 -0.549 3.276 -4.006 1.00 0.00 H new ATOM 0 HA ILE A 14 2.204 3.683 -4.128 1.00 0.00 H new ATOM 0 HB ILE A 14 0.512 1.157 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.085 2.531 -1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.351 2.654 -2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.535 -0.070 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.694 0.623 -5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.505 1.401 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.899 1.025 -0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.119 0.221 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.880 0.096 -1.576 1.00 0.00 H new ATOM 191 N PHE A 15 0.875 2.255 -6.799 1.00 0.00 N ATOM 192 CA PHE A 15 1.073 1.929 -8.208 1.00 0.00 C ATOM 193 C PHE A 15 1.303 3.197 -9.043 1.00 0.00 C ATOM 194 O PHE A 15 2.207 3.244 -9.876 1.00 0.00 O ATOM 195 CB PHE A 15 -0.154 1.161 -8.721 1.00 0.00 C ATOM 196 CG PHE A 15 -0.023 0.652 -10.126 1.00 0.00 C ATOM 197 CD1 PHE A 15 0.622 -0.546 -10.382 1.00 0.00 C ATOM 198 CD2 PHE A 15 -0.547 1.370 -11.186 1.00 0.00 C ATOM 199 CE1 PHE A 15 0.742 -1.018 -11.674 1.00 0.00 C ATOM 200 CE2 PHE A 15 -0.431 0.903 -12.480 1.00 0.00 C ATOM 201 CZ PHE A 15 0.216 -0.293 -12.725 1.00 0.00 C ATOM 0 H PHE A 15 -0.067 2.063 -6.457 1.00 0.00 H new ATOM 0 HA PHE A 15 1.962 1.307 -8.307 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.343 0.317 -8.058 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.026 1.813 -8.663 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.035 -1.117 -9.563 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.052 2.306 -10.999 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.247 -1.954 -11.863 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.845 1.472 -13.299 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.310 -0.660 -13.736 1.00 0.00 H new ATOM 211 N GLU A 16 0.492 4.223 -8.792 1.00 0.00 N ATOM 212 CA GLU A 16 0.541 5.470 -9.559 1.00 0.00 C ATOM 213 C GLU A 16 1.893 6.168 -9.405 1.00 0.00 C ATOM 214 O GLU A 16 2.448 6.695 -10.372 1.00 0.00 O ATOM 215 CB GLU A 16 -0.562 6.427 -9.087 1.00 0.00 C ATOM 216 CG GLU A 16 -1.959 5.828 -9.085 1.00 0.00 C ATOM 217 CD GLU A 16 -2.614 5.791 -10.448 1.00 0.00 C ATOM 218 OE1 GLU A 16 -1.914 5.580 -11.458 1.00 0.00 O ATOM 219 OE2 GLU A 16 -3.852 5.965 -10.509 1.00 0.00 O ATOM 0 H GLU A 16 -0.214 4.216 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 16 0.393 5.213 -10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.324 6.766 -8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.559 7.308 -9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.908 4.813 -8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.589 6.403 -8.406 1.00 0.00 H new ATOM 226 N GLY A 17 2.424 6.158 -8.187 1.00 0.00 N ATOM 227 CA GLY A 17 3.641 6.893 -7.910 1.00 0.00 C ATOM 228 C GLY A 17 4.890 6.043 -8.014 1.00 0.00 C ATOM 229 O GLY A 17 5.997 6.577 -8.048 1.00 0.00 O ATOM 0 H GLY A 17 2.034 5.655 -7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.719 7.728 -8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.581 7.317 -6.908 1.00 0.00 H new ATOM 233 N ASN A 18 4.705 4.722 -8.062 1.00 0.00 N ATOM 234 CA ASN A 18 5.819 3.767 -8.134 1.00 0.00 C ATOM 235 C ASN A 18 6.649 3.823 -6.843 1.00 0.00 C ATOM 236 O ASN A 18 7.827 3.473 -6.829 1.00 0.00 O ATOM 237 CB ASN A 18 6.696 4.059 -9.369 1.00 0.00 C ATOM 238 CG ASN A 18 7.620 2.911 -9.745 1.00 0.00 C ATOM 239 OD1 ASN A 18 7.244 2.018 -10.505 1.00 0.00 O ATOM 240 ND2 ASN A 18 8.839 2.933 -9.232 1.00 0.00 N ATOM 0 H ASN A 18 3.784 4.283 -8.052 1.00 0.00 H new ATOM 0 HA ASN A 18 5.416 2.760 -8.236 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.050 4.287 -10.217 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.296 4.949 -9.176 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.503 2.194 -9.463 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.115 3.689 -8.606 1.00 0.00 H new ATOM 247 N THR A 19 5.988 4.246 -5.758 1.00 0.00 N ATOM 248 CA THR A 19 6.595 4.414 -4.425 1.00 0.00 C ATOM 249 C THR A 19 7.788 5.383 -4.420 1.00 0.00 C ATOM 250 O THR A 19 8.451 5.594 -5.435 1.00 0.00 O ATOM 251 CB THR A 19 6.995 3.065 -3.758 1.00 0.00 C ATOM 252 OG1 THR A 19 7.735 2.231 -4.654 1.00 0.00 O ATOM 253 CG2 THR A 19 5.763 2.320 -3.280 1.00 0.00 C ATOM 0 H THR A 19 4.997 4.487 -5.779 1.00 0.00 H new ATOM 0 HA THR A 19 5.803 4.860 -3.823 1.00 0.00 H new ATOM 0 HB THR A 19 7.631 3.305 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.143 2.783 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.063 1.380 -2.817 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.229 2.930 -2.551 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.110 2.114 -4.128 1.00 0.00 H new ATOM 261 N PRO A 20 8.069 6.012 -3.267 1.00 0.00 N ATOM 262 CA PRO A 20 7.304 5.836 -2.039 1.00 0.00 C ATOM 263 C PRO A 20 6.169 6.850 -1.901 1.00 0.00 C ATOM 264 O PRO A 20 5.797 7.519 -2.865 1.00 0.00 O ATOM 265 CB PRO A 20 8.361 6.092 -0.971 1.00 0.00 C ATOM 266 CG PRO A 20 9.258 7.124 -1.572 1.00 0.00 C ATOM 267 CD PRO A 20 9.174 6.962 -3.072 1.00 0.00 C ATOM 0 HA PRO A 20 6.817 4.862 -1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.911 6.448 -0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.910 5.182 -0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.948 8.126 -1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.283 6.992 -1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.974 7.913 -3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.107 6.579 -3.485 1.00 0.00 H new ATOM 275 N LEU A 21 5.623 6.939 -0.698 1.00 0.00 N ATOM 276 CA LEU A 21 4.621 7.941 -0.366 1.00 0.00 C ATOM 277 C LEU A 21 4.654 8.205 1.133 1.00 0.00 C ATOM 278 O LEU A 21 4.569 7.276 1.937 1.00 0.00 O ATOM 279 CB LEU A 21 3.208 7.512 -0.810 1.00 0.00 C ATOM 280 CG LEU A 21 2.630 6.257 -0.141 1.00 0.00 C ATOM 281 CD1 LEU A 21 1.117 6.226 -0.303 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.237 4.993 -0.737 1.00 0.00 C ATOM 0 H LEU A 21 5.862 6.319 0.076 1.00 0.00 H new ATOM 0 HA LEU A 21 4.859 8.857 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.526 8.342 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.225 7.347 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 21 2.879 6.294 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.718 5.331 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.683 7.111 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.865 6.213 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.811 4.118 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.018 4.953 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.317 5.003 -0.588 1.00 0.00 H new ATOM 294 N SER A 22 4.818 9.465 1.503 1.00 0.00 N ATOM 295 CA SER A 22 4.922 9.836 2.903 1.00 0.00 C ATOM 296 C SER A 22 3.542 10.021 3.529 1.00 0.00 C ATOM 297 O SER A 22 2.524 10.060 2.831 1.00 0.00 O ATOM 298 CB SER A 22 5.743 11.120 3.048 1.00 0.00 C ATOM 299 OG SER A 22 7.005 10.991 2.416 1.00 0.00 O ATOM 0 H SER A 22 4.882 10.248 0.852 1.00 0.00 H new ATOM 0 HA SER A 22 5.427 9.027 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.197 11.956 2.611 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.883 11.349 4.104 1.00 0.00 H new ATOM 0 HG SER A 22 7.510 11.824 2.521 1.00 0.00 H new ATOM 305 N GLU A 23 3.528 10.157 4.846 1.00 0.00 N ATOM 306 CA GLU A 23 2.291 10.305 5.601 1.00 0.00 C ATOM 307 C GLU A 23 1.572 11.606 5.243 1.00 0.00 C ATOM 308 O GLU A 23 0.353 11.622 5.088 1.00 0.00 O ATOM 309 CB GLU A 23 2.571 10.230 7.111 1.00 0.00 C ATOM 310 CG GLU A 23 4.044 10.357 7.493 1.00 0.00 C ATOM 311 CD GLU A 23 4.589 11.764 7.338 1.00 0.00 C ATOM 312 OE1 GLU A 23 4.825 12.196 6.188 1.00 0.00 O ATOM 313 OE2 GLU A 23 4.794 12.442 8.365 1.00 0.00 O ATOM 0 H GLU A 23 4.370 10.168 5.421 1.00 0.00 H new ATOM 0 HA GLU A 23 1.631 9.481 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.011 11.020 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.192 9.281 7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.172 10.038 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.631 9.678 6.875 1.00 0.00 H new ATOM 320 N ASN A 24 2.332 12.687 5.088 1.00 0.00 N ATOM 321 CA ASN A 24 1.759 13.985 4.720 1.00 0.00 C ATOM 322 C ASN A 24 1.201 13.966 3.303 1.00 0.00 C ATOM 323 O ASN A 24 0.316 14.754 2.964 1.00 0.00 O ATOM 324 CB ASN A 24 2.800 15.101 4.836 1.00 0.00 C ATOM 325 CG ASN A 24 3.086 15.497 6.270 1.00 0.00 C ATOM 326 OD1 ASN A 24 2.424 16.370 6.832 1.00 0.00 O ATOM 327 ND2 ASN A 24 4.069 14.860 6.873 1.00 0.00 N ATOM 0 H ASN A 24 3.345 12.693 5.211 1.00 0.00 H new ATOM 0 HA ASN A 24 0.945 14.180 5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.727 14.776 4.363 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.450 15.975 4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.305 15.084 7.840 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.594 14.143 6.373 1.00 0.00 H new ATOM 334 N ASP A 25 1.725 13.072 2.476 1.00 0.00 N ATOM 335 CA ASP A 25 1.270 12.955 1.095 1.00 0.00 C ATOM 336 C ASP A 25 -0.068 12.239 1.031 1.00 0.00 C ATOM 337 O ASP A 25 -0.987 12.683 0.344 1.00 0.00 O ATOM 338 CB ASP A 25 2.292 12.205 0.238 1.00 0.00 C ATOM 339 CG ASP A 25 3.551 13.007 -0.012 1.00 0.00 C ATOM 340 OD1 ASP A 25 4.491 12.913 0.800 1.00 0.00 O ATOM 341 OD2 ASP A 25 3.615 13.721 -1.036 1.00 0.00 O ATOM 0 H ASP A 25 2.464 12.418 2.735 1.00 0.00 H new ATOM 0 HA ASP A 25 1.157 13.965 0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.555 11.269 0.731 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.837 11.945 -0.718 1.00 0.00 H new ATOM 346 N ILE A 26 -0.180 11.134 1.754 1.00 0.00 N ATOM 347 CA ILE A 26 -1.402 10.345 1.733 1.00 0.00 C ATOM 348 C ILE A 26 -2.459 10.969 2.653 1.00 0.00 C ATOM 349 O ILE A 26 -3.640 11.020 2.304 1.00 0.00 O ATOM 350 CB ILE A 26 -1.110 8.860 2.100 1.00 0.00 C ATOM 351 CG1 ILE A 26 -2.325 7.951 1.828 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.636 8.726 3.541 1.00 0.00 C ATOM 353 CD1 ILE A 26 -3.415 7.989 2.885 1.00 0.00 C ATOM 0 H ILE A 26 0.555 10.766 2.358 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.805 10.350 0.720 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.302 8.524 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.761 8.233 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.974 6.924 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.441 7.677 3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.279 9.302 3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.406 9.103 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.223 7.316 2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.003 7.675 3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.802 9.004 2.972 1.00 0.00 H new ATOM 365 N GLY A 27 -2.034 11.484 3.803 1.00 0.00 N ATOM 366 CA GLY A 27 -2.959 12.161 4.692 1.00 0.00 C ATOM 367 C GLY A 27 -3.103 11.492 6.045 1.00 0.00 C ATOM 368 O GLY A 27 -3.628 12.090 6.984 1.00 0.00 O ATOM 0 H GLY A 27 -1.070 11.445 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.623 13.188 4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.938 12.210 4.215 1.00 0.00 H new ATOM 372 N VAL A 28 -2.639 10.256 6.157 1.00 0.00 N ATOM 373 CA VAL A 28 -2.765 9.514 7.405 1.00 0.00 C ATOM 374 C VAL A 28 -1.457 9.523 8.183 1.00 0.00 C ATOM 375 O VAL A 28 -0.376 9.503 7.599 1.00 0.00 O ATOM 376 CB VAL A 28 -3.211 8.051 7.173 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.582 8.001 6.517 1.00 0.00 C ATOM 378 CG2 VAL A 28 -2.191 7.294 6.335 1.00 0.00 C ATOM 0 H VAL A 28 -2.175 9.747 5.405 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.537 10.019 7.986 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.278 7.565 8.146 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.874 6.962 6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.312 8.492 7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.544 8.513 5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.530 6.269 6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.081 7.782 5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.230 7.288 6.849 1.00 0.00 H new ATOM 388 N THR A 29 -1.564 9.564 9.501 1.00 0.00 N ATOM 389 CA THR A 29 -0.397 9.525 10.367 1.00 0.00 C ATOM 390 C THR A 29 0.315 8.175 10.276 1.00 0.00 C ATOM 391 O THR A 29 -0.276 7.176 9.846 1.00 0.00 O ATOM 392 CB THR A 29 -0.784 9.834 11.831 1.00 0.00 C ATOM 393 OG1 THR A 29 0.253 9.423 12.732 1.00 0.00 O ATOM 394 CG2 THR A 29 -2.095 9.159 12.202 1.00 0.00 C ATOM 0 H THR A 29 -2.453 9.625 9.997 1.00 0.00 H new ATOM 0 HA THR A 29 0.293 10.296 10.024 1.00 0.00 H new ATOM 0 HB THR A 29 -0.913 10.913 11.918 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.079 8.701 13.306 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.344 9.393 13.237 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.888 9.520 11.547 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.994 8.080 12.088 1.00 0.00 H new ATOM 402 N GLU A 30 1.572 8.157 10.710 1.00 0.00 N ATOM 403 CA GLU A 30 2.453 7.003 10.539 1.00 0.00 C ATOM 404 C GLU A 30 1.881 5.760 11.194 1.00 0.00 C ATOM 405 O GLU A 30 1.963 4.672 10.643 1.00 0.00 O ATOM 406 CB GLU A 30 3.826 7.267 11.154 1.00 0.00 C ATOM 407 CG GLU A 30 4.316 8.690 11.005 1.00 0.00 C ATOM 408 CD GLU A 30 5.758 8.835 11.429 1.00 0.00 C ATOM 409 OE1 GLU A 30 6.022 8.859 12.650 1.00 0.00 O ATOM 410 OE2 GLU A 30 6.641 8.887 10.552 1.00 0.00 O ATOM 0 H GLU A 30 2.010 8.943 11.191 1.00 0.00 H new ATOM 0 HA GLU A 30 2.544 6.842 9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.789 7.018 12.214 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.551 6.596 10.694 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.209 9.004 9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.693 9.354 11.604 1.00 0.00 H new ATOM 417 N ASP A 31 1.307 5.932 12.372 1.00 0.00 N ATOM 418 CA ASP A 31 0.814 4.805 13.150 1.00 0.00 C ATOM 419 C ASP A 31 -0.345 4.114 12.434 1.00 0.00 C ATOM 420 O ASP A 31 -0.477 2.890 12.495 1.00 0.00 O ATOM 421 CB ASP A 31 0.405 5.271 14.548 1.00 0.00 C ATOM 422 CG ASP A 31 -0.777 6.216 14.542 1.00 0.00 C ATOM 423 OD1 ASP A 31 -0.581 7.410 14.241 1.00 0.00 O ATOM 424 OD2 ASP A 31 -1.904 5.773 14.840 1.00 0.00 O ATOM 0 H ASP A 31 1.170 6.842 12.813 1.00 0.00 H new ATOM 0 HA ASP A 31 1.616 4.074 13.254 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.162 4.400 15.157 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.254 5.765 15.022 1.00 0.00 H new ATOM 429 N GLN A 32 -1.164 4.896 11.735 1.00 0.00 N ATOM 430 CA GLN A 32 -2.239 4.335 10.923 1.00 0.00 C ATOM 431 C GLN A 32 -1.664 3.722 9.653 1.00 0.00 C ATOM 432 O GLN A 32 -2.134 2.690 9.175 1.00 0.00 O ATOM 433 CB GLN A 32 -3.269 5.408 10.555 1.00 0.00 C ATOM 434 CG GLN A 32 -3.990 6.008 11.751 1.00 0.00 C ATOM 435 CD GLN A 32 -5.062 7.010 11.352 1.00 0.00 C ATOM 436 OE1 GLN A 32 -4.855 7.684 10.230 1.00 0.00 O flip ATOM 437 NE2 GLN A 32 -6.066 7.175 12.045 1.00 0.00 N flip ATOM 0 H GLN A 32 -1.104 5.914 11.715 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.739 3.563 11.509 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.767 6.206 10.008 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.006 4.973 9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.446 5.207 12.333 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.263 6.499 12.399 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.188 6.636 12.902 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.776 7.851 11.762 1.00 0.00 H new ATOM 446 N PHE A 33 -0.631 4.369 9.128 1.00 0.00 N ATOM 447 CA PHE A 33 0.034 3.922 7.912 1.00 0.00 C ATOM 448 C PHE A 33 0.720 2.575 8.146 1.00 0.00 C ATOM 449 O PHE A 33 0.481 1.617 7.417 1.00 0.00 O ATOM 450 CB PHE A 33 1.051 4.981 7.464 1.00 0.00 C ATOM 451 CG PHE A 33 1.637 4.750 6.099 1.00 0.00 C ATOM 452 CD1 PHE A 33 0.847 4.865 4.965 1.00 0.00 C ATOM 453 CD2 PHE A 33 2.980 4.436 5.947 1.00 0.00 C ATOM 454 CE1 PHE A 33 1.384 4.668 3.707 1.00 0.00 C ATOM 455 CE2 PHE A 33 3.522 4.241 4.691 1.00 0.00 C ATOM 456 CZ PHE A 33 2.722 4.356 3.570 1.00 0.00 C ATOM 0 H PHE A 33 -0.232 5.216 9.532 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.707 3.790 7.124 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.568 5.958 7.477 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.862 5.017 8.191 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.200 5.111 5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.609 4.343 6.820 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.758 4.758 2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.569 3.999 4.586 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.143 4.202 2.587 1.00 0.00 H new ATOM 466 N ASP A 34 1.546 2.513 9.185 1.00 0.00 N ATOM 467 CA ASP A 34 2.263 1.291 9.551 1.00 0.00 C ATOM 468 C ASP A 34 1.301 0.134 9.788 1.00 0.00 C ATOM 469 O ASP A 34 1.502 -0.966 9.269 1.00 0.00 O ATOM 470 CB ASP A 34 3.110 1.530 10.807 1.00 0.00 C ATOM 471 CG ASP A 34 3.637 0.246 11.422 1.00 0.00 C ATOM 472 OD1 ASP A 34 4.619 -0.317 10.899 1.00 0.00 O ATOM 473 OD2 ASP A 34 3.067 -0.207 12.437 1.00 0.00 O ATOM 0 H ASP A 34 1.739 3.305 9.798 1.00 0.00 H new ATOM 0 HA ASP A 34 2.916 1.026 8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.950 2.176 10.554 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.511 2.061 11.547 1.00 0.00 H new ATOM 478 N ASP A 35 0.253 0.392 10.562 1.00 0.00 N ATOM 479 CA ASP A 35 -0.736 -0.634 10.879 1.00 0.00 C ATOM 480 C ASP A 35 -1.389 -1.171 9.610 1.00 0.00 C ATOM 481 O ASP A 35 -1.508 -2.383 9.423 1.00 0.00 O ATOM 482 CB ASP A 35 -1.796 -0.067 11.827 1.00 0.00 C ATOM 483 CG ASP A 35 -2.853 -1.088 12.204 1.00 0.00 C ATOM 484 OD1 ASP A 35 -2.485 -2.220 12.589 1.00 0.00 O ATOM 485 OD2 ASP A 35 -4.054 -0.758 12.130 1.00 0.00 O ATOM 0 H ASP A 35 0.065 1.302 10.982 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.227 -1.462 11.373 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.310 0.297 12.732 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.277 0.790 11.356 1.00 0.00 H new ATOM 490 N ALA A 36 -1.780 -0.262 8.725 1.00 0.00 N ATOM 491 CA ALA A 36 -2.416 -0.641 7.473 1.00 0.00 C ATOM 492 C ALA A 36 -1.445 -1.386 6.559 1.00 0.00 C ATOM 493 O ALA A 36 -1.824 -2.362 5.909 1.00 0.00 O ATOM 494 CB ALA A 36 -2.973 0.586 6.776 1.00 0.00 C ATOM 0 H ALA A 36 -1.667 0.744 8.853 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.238 -1.319 7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.446 0.289 5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.710 1.067 7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.163 1.285 6.567 1.00 0.00 H new ATOM 500 N VAL A 37 -0.194 -0.927 6.511 1.00 0.00 N ATOM 501 CA VAL A 37 0.829 -1.579 5.695 1.00 0.00 C ATOM 502 C VAL A 37 1.060 -3.011 6.163 1.00 0.00 C ATOM 503 O VAL A 37 1.100 -3.935 5.354 1.00 0.00 O ATOM 504 CB VAL A 37 2.170 -0.804 5.713 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.274 -1.611 5.044 1.00 0.00 C ATOM 506 CG2 VAL A 37 2.019 0.543 5.024 1.00 0.00 C ATOM 0 H VAL A 37 0.134 -0.110 7.026 1.00 0.00 H new ATOM 0 HA VAL A 37 0.458 -1.587 4.670 1.00 0.00 H new ATOM 0 HB VAL A 37 2.446 -0.638 6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.205 -1.045 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.408 -2.554 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.001 -1.813 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.972 1.072 5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.714 0.390 3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.263 1.134 5.542 1.00 0.00 H new ATOM 516 N ASN A 38 1.186 -3.196 7.471 1.00 0.00 N ATOM 517 CA ASN A 38 1.382 -4.530 8.032 1.00 0.00 C ATOM 518 C ASN A 38 0.172 -5.414 7.762 1.00 0.00 C ATOM 519 O ASN A 38 0.315 -6.602 7.483 1.00 0.00 O ATOM 520 CB ASN A 38 1.661 -4.468 9.536 1.00 0.00 C ATOM 521 CG ASN A 38 3.110 -4.143 9.850 1.00 0.00 C ATOM 522 OD1 ASN A 38 3.950 -5.037 9.967 1.00 0.00 O ATOM 523 ND2 ASN A 38 3.413 -2.863 9.995 1.00 0.00 N ATOM 0 H ASN A 38 1.156 -2.445 8.161 1.00 0.00 H new ATOM 0 HA ASN A 38 2.252 -4.965 7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.017 -3.715 9.990 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.401 -5.425 9.989 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.371 -2.587 10.211 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.689 -2.152 9.890 1.00 0.00 H new ATOM 530 N PHE A 39 -1.016 -4.826 7.825 1.00 0.00 N ATOM 531 CA PHE A 39 -2.244 -5.560 7.544 1.00 0.00 C ATOM 532 C PHE A 39 -2.269 -6.003 6.080 1.00 0.00 C ATOM 533 O PHE A 39 -2.517 -7.171 5.775 1.00 0.00 O ATOM 534 CB PHE A 39 -3.463 -4.688 7.862 1.00 0.00 C ATOM 535 CG PHE A 39 -4.750 -5.456 7.963 1.00 0.00 C ATOM 536 CD1 PHE A 39 -5.115 -6.064 9.152 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.595 -5.566 6.874 1.00 0.00 C ATOM 538 CE1 PHE A 39 -6.299 -6.768 9.253 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.781 -6.269 6.968 1.00 0.00 C ATOM 540 CZ PHE A 39 -7.134 -6.871 8.159 1.00 0.00 C ATOM 0 H PHE A 39 -1.156 -3.845 8.068 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.278 -6.448 8.175 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.288 -4.165 8.802 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.565 -3.927 7.088 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.466 -5.987 10.012 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.325 -5.097 5.939 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.571 -7.237 10.187 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.432 -6.347 6.110 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.061 -7.421 8.234 1.00 0.00 H new ATOM 550 N LEU A 40 -1.980 -5.065 5.183 1.00 0.00 N ATOM 551 CA LEU A 40 -1.924 -5.346 3.752 1.00 0.00 C ATOM 552 C LEU A 40 -0.852 -6.389 3.442 1.00 0.00 C ATOM 553 O LEU A 40 -1.028 -7.246 2.570 1.00 0.00 O ATOM 554 CB LEU A 40 -1.627 -4.060 2.980 1.00 0.00 C ATOM 555 CG LEU A 40 -2.768 -3.044 2.926 1.00 0.00 C ATOM 556 CD1 LEU A 40 -2.248 -1.686 2.479 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.850 -3.524 1.978 1.00 0.00 C ATOM 0 H LEU A 40 -1.779 -4.095 5.425 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.892 -5.742 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.758 -3.580 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.352 -4.325 1.959 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.192 -2.944 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.072 -0.974 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.494 -1.335 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.805 -1.775 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.658 -2.793 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.431 -3.644 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.240 -4.481 2.325 1.00 0.00 H new ATOM 569 N LYS A 41 0.258 -6.304 4.161 1.00 0.00 N ATOM 570 CA LYS A 41 1.371 -7.222 3.983 1.00 0.00 C ATOM 571 C LYS A 41 0.993 -8.617 4.485 1.00 0.00 C ATOM 572 O LYS A 41 1.458 -9.629 3.956 1.00 0.00 O ATOM 573 CB LYS A 41 2.597 -6.675 4.732 1.00 0.00 C ATOM 574 CG LYS A 41 3.929 -7.310 4.346 1.00 0.00 C ATOM 575 CD LYS A 41 4.192 -8.609 5.095 1.00 0.00 C ATOM 576 CE LYS A 41 4.208 -8.399 6.604 1.00 0.00 C ATOM 577 NZ LYS A 41 4.464 -9.668 7.336 1.00 0.00 N ATOM 0 H LYS A 41 0.411 -5.599 4.882 1.00 0.00 H new ATOM 0 HA LYS A 41 1.614 -7.307 2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.660 -5.601 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.442 -6.815 5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.938 -7.504 3.273 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.736 -6.607 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.424 -9.339 4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.147 -9.026 4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.976 -7.670 6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.253 -7.982 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.467 -9.484 8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.717 -10.356 7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.387 -10.053 7.051 1.00 0.00 H new ATOM 591 N ARG A 42 0.138 -8.669 5.500 1.00 0.00 N ATOM 592 CA ARG A 42 -0.308 -9.940 6.054 1.00 0.00 C ATOM 593 C ARG A 42 -1.220 -10.670 5.073 1.00 0.00 C ATOM 594 O ARG A 42 -1.148 -11.892 4.939 1.00 0.00 O ATOM 595 CB ARG A 42 -1.023 -9.731 7.395 1.00 0.00 C ATOM 596 CG ARG A 42 -1.463 -11.036 8.043 1.00 0.00 C ATOM 597 CD ARG A 42 -1.970 -10.840 9.464 1.00 0.00 C ATOM 598 NE ARG A 42 -3.206 -10.062 9.536 1.00 0.00 N ATOM 599 CZ ARG A 42 -4.423 -10.561 9.312 1.00 0.00 C ATOM 600 NH1 ARG A 42 -4.573 -11.792 8.829 1.00 0.00 N ATOM 601 NH2 ARG A 42 -5.494 -9.819 9.556 1.00 0.00 N ATOM 0 H ARG A 42 -0.259 -7.847 5.955 1.00 0.00 H new ATOM 0 HA ARG A 42 0.574 -10.557 6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.358 -9.199 8.076 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.895 -9.096 7.240 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.249 -11.490 7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.625 -11.733 8.053 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.136 -11.816 9.921 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.200 -10.340 10.051 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.133 -9.073 9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.753 -12.364 8.626 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.508 -12.164 8.661 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.386 -8.870 9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.426 -10.197 9.386 1.00 0.00 H new ATOM 615 N GLU A 43 -2.074 -9.924 4.388 1.00 0.00 N ATOM 616 CA GLU A 43 -2.972 -10.513 3.401 1.00 0.00 C ATOM 617 C GLU A 43 -2.240 -10.764 2.083 1.00 0.00 C ATOM 618 O GLU A 43 -2.664 -11.588 1.272 1.00 0.00 O ATOM 619 CB GLU A 43 -4.190 -9.616 3.180 1.00 0.00 C ATOM 620 CG GLU A 43 -5.001 -9.369 4.443 1.00 0.00 C ATOM 621 CD GLU A 43 -6.263 -8.573 4.177 1.00 0.00 C ATOM 622 OE1 GLU A 43 -6.159 -7.376 3.854 1.00 0.00 O ATOM 623 OE2 GLU A 43 -7.368 -9.146 4.294 1.00 0.00 O ATOM 0 H GLU A 43 -2.165 -8.914 4.495 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.318 -11.473 3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.858 -8.659 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.834 -10.071 2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.267 -10.326 4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.385 -8.836 5.168 1.00 0.00 H new ATOM 630 N GLY A 44 -1.147 -10.038 1.876 1.00 0.00 N ATOM 631 CA GLY A 44 -0.278 -10.298 0.743 1.00 0.00 C ATOM 632 C GLY A 44 -0.657 -9.517 -0.499 1.00 0.00 C ATOM 633 O GLY A 44 -0.695 -10.073 -1.592 1.00 0.00 O ATOM 0 H GLY A 44 -0.846 -9.270 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.748 -10.053 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.301 -11.363 0.514 1.00 0.00 H new ATOM 637 N TYR A 45 -0.934 -8.228 -0.342 1.00 0.00 N ATOM 638 CA TYR A 45 -1.278 -7.389 -1.488 1.00 0.00 C ATOM 639 C TYR A 45 -0.039 -6.715 -2.072 1.00 0.00 C ATOM 640 O TYR A 45 0.057 -6.509 -3.284 1.00 0.00 O ATOM 641 CB TYR A 45 -2.324 -6.345 -1.096 1.00 0.00 C ATOM 642 CG TYR A 45 -3.645 -6.959 -0.689 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.385 -7.713 -1.591 1.00 0.00 C ATOM 644 CD2 TYR A 45 -4.145 -6.797 0.594 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.586 -8.287 -1.224 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.348 -7.365 0.965 1.00 0.00 C ATOM 647 CZ TYR A 45 -6.064 -8.108 0.055 1.00 0.00 C ATOM 648 OH TYR A 45 -7.257 -8.686 0.425 1.00 0.00 O ATOM 0 H TYR A 45 -0.928 -7.744 0.556 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.703 -8.033 -2.258 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.939 -5.744 -0.272 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.487 -5.668 -1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.015 -7.853 -2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.586 -6.218 1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.148 -8.873 -1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.726 -7.226 1.967 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.982 -8.318 -0.122 1.00 0.00 H new ATOM 658 N ILE A 46 0.908 -6.374 -1.209 1.00 0.00 N ATOM 659 CA ILE A 46 2.167 -5.782 -1.647 1.00 0.00 C ATOM 660 C ILE A 46 3.334 -6.433 -0.915 1.00 0.00 C ATOM 661 O ILE A 46 3.214 -6.808 0.252 1.00 0.00 O ATOM 662 CB ILE A 46 2.237 -4.240 -1.444 1.00 0.00 C ATOM 663 CG1 ILE A 46 2.151 -3.845 0.043 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.152 -3.535 -2.249 1.00 0.00 C ATOM 665 CD1 ILE A 46 0.800 -4.066 0.681 1.00 0.00 C ATOM 0 H ILE A 46 0.829 -6.497 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 46 2.229 -5.967 -2.719 1.00 0.00 H new ATOM 0 HB ILE A 46 3.211 -3.915 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.897 -4.413 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.415 -2.792 0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.222 -2.459 -2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.284 -3.755 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.172 -3.886 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.837 -3.759 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.049 -3.476 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.538 -5.122 0.622 1.00 0.00 H new ATOM 677 N ILE A 47 4.449 -6.578 -1.610 1.00 0.00 N ATOM 678 CA ILE A 47 5.641 -7.178 -1.031 1.00 0.00 C ATOM 679 C ILE A 47 6.853 -6.294 -1.282 1.00 0.00 C ATOM 680 O ILE A 47 6.797 -5.378 -2.101 1.00 0.00 O ATOM 681 CB ILE A 47 5.895 -8.606 -1.586 1.00 0.00 C ATOM 682 CG1 ILE A 47 5.818 -8.642 -3.123 1.00 0.00 C ATOM 683 CG2 ILE A 47 4.902 -9.591 -0.985 1.00 0.00 C ATOM 684 CD1 ILE A 47 7.081 -8.194 -3.827 1.00 0.00 C ATOM 0 H ILE A 47 4.555 -6.287 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 47 5.476 -7.265 0.043 1.00 0.00 H new ATOM 0 HB ILE A 47 6.905 -8.897 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.583 -9.659 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.992 -8.009 -3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.092 -10.588 -1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.015 -9.606 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.887 -9.286 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.936 -8.252 -4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.309 -7.166 -3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.908 -8.841 -3.537 1.00 0.00 H new ATOM 696 N GLY A 48 7.934 -6.552 -0.569 1.00 0.00 N ATOM 697 CA GLY A 48 9.149 -5.790 -0.779 1.00 0.00 C ATOM 698 C GLY A 48 9.317 -4.677 0.234 1.00 0.00 C ATOM 699 O GLY A 48 10.337 -3.987 0.241 1.00 0.00 O ATOM 0 H GLY A 48 7.995 -7.273 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.008 -6.459 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.139 -5.365 -1.783 1.00 0.00 H new ATOM 703 N VAL A 49 8.318 -4.507 1.091 1.00 0.00 N ATOM 704 CA VAL A 49 8.357 -3.476 2.121 1.00 0.00 C ATOM 705 C VAL A 49 9.552 -3.700 3.041 1.00 0.00 C ATOM 706 O VAL A 49 9.701 -4.775 3.624 1.00 0.00 O ATOM 707 CB VAL A 49 7.061 -3.462 2.960 1.00 0.00 C ATOM 708 CG1 VAL A 49 7.082 -2.322 3.966 1.00 0.00 C ATOM 709 CG2 VAL A 49 5.836 -3.367 2.061 1.00 0.00 C ATOM 0 H VAL A 49 7.468 -5.071 1.093 1.00 0.00 H new ATOM 0 HA VAL A 49 8.451 -2.513 1.619 1.00 0.00 H new ATOM 0 HB VAL A 49 7.004 -4.400 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.159 -2.332 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.933 -2.444 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.169 -1.372 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.935 -3.359 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.885 -2.449 1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.810 -4.225 1.389 1.00 0.00 H new ATOM 719 N HIS A 50 10.415 -2.701 3.150 1.00 0.00 N ATOM 720 CA HIS A 50 11.635 -2.846 3.923 1.00 0.00 C ATOM 721 C HIS A 50 11.421 -2.416 5.368 1.00 0.00 C ATOM 722 O HIS A 50 11.229 -1.233 5.657 1.00 0.00 O ATOM 723 CB HIS A 50 12.773 -2.038 3.290 1.00 0.00 C ATOM 724 CG HIS A 50 14.118 -2.330 3.888 1.00 0.00 C ATOM 725 ND1 HIS A 50 14.848 -1.403 4.599 1.00 0.00 N ATOM 726 CD2 HIS A 50 14.861 -3.461 3.881 1.00 0.00 C ATOM 727 CE1 HIS A 50 15.978 -1.951 5.005 1.00 0.00 C ATOM 728 NE2 HIS A 50 16.011 -3.201 4.585 1.00 0.00 N ATOM 0 H HIS A 50 10.293 -1.787 2.715 1.00 0.00 H new ATOM 0 HA HIS A 50 11.911 -3.900 3.919 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.806 -2.248 2.221 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.558 -0.975 3.400 1.00 0.00 H new ATOM 0 HD2 HIS A 50 14.598 -4.396 3.409 1.00 0.00 H new ATOM 0 HE1 HIS A 50 16.746 -1.459 5.583 1.00 0.00 H new ATOM 0 HE2 HIS A 50 16.766 -3.865 4.755 1.00 0.00 H new ATOM 737 N TYR A 51 11.437 -3.383 6.270 1.00 0.00 N ATOM 738 CA TYR A 51 11.365 -3.099 7.693 1.00 0.00 C ATOM 739 C TYR A 51 12.776 -3.020 8.253 1.00 0.00 C ATOM 740 O TYR A 51 13.501 -4.017 8.266 1.00 0.00 O ATOM 741 CB TYR A 51 10.560 -4.179 8.424 1.00 0.00 C ATOM 742 CG TYR A 51 9.110 -4.256 7.997 1.00 0.00 C ATOM 743 CD1 TYR A 51 8.148 -3.449 8.592 1.00 0.00 C ATOM 744 CD2 TYR A 51 8.703 -5.136 7.003 1.00 0.00 C ATOM 745 CE1 TYR A 51 6.820 -3.517 8.207 1.00 0.00 C ATOM 746 CE2 TYR A 51 7.379 -5.209 6.612 1.00 0.00 C ATOM 747 CZ TYR A 51 6.442 -4.399 7.216 1.00 0.00 C ATOM 748 OH TYR A 51 5.123 -4.471 6.829 1.00 0.00 O ATOM 0 H TYR A 51 11.499 -4.375 6.041 1.00 0.00 H new ATOM 0 HA TYR A 51 10.857 -2.147 7.844 1.00 0.00 H new ATOM 0 HB2 TYR A 51 11.031 -5.147 8.254 1.00 0.00 H new ATOM 0 HB3 TYR A 51 10.603 -3.988 9.496 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.441 -2.757 9.368 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.433 -5.774 6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.084 -2.883 8.680 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.080 -5.898 5.836 1.00 0.00 H new ATOM 0 HH TYR A 51 5.026 -5.141 6.120 1.00 0.00 H new ATOM 758 N SER A 52 13.174 -1.843 8.710 1.00 0.00 N ATOM 759 CA SER A 52 14.559 -1.629 9.104 1.00 0.00 C ATOM 760 C SER A 52 14.704 -1.743 10.613 1.00 0.00 C ATOM 761 O SER A 52 15.180 -2.747 11.136 1.00 0.00 O ATOM 762 CB SER A 52 15.034 -0.250 8.639 1.00 0.00 C ATOM 763 OG SER A 52 14.693 -0.018 7.281 1.00 0.00 O ATOM 0 H SER A 52 12.567 -1.030 8.817 1.00 0.00 H new ATOM 0 HA SER A 52 15.175 -2.395 8.632 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.586 0.522 9.265 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.114 -0.174 8.763 1.00 0.00 H new ATOM 0 HG SER A 52 15.007 0.870 7.012 1.00 0.00 H new ATOM 769 N ASP A 53 14.261 -0.708 11.293 1.00 0.00 N ATOM 770 CA ASP A 53 14.294 -0.651 12.743 1.00 0.00 C ATOM 771 C ASP A 53 13.137 -1.450 13.324 1.00 0.00 C ATOM 772 O ASP A 53 13.266 -2.082 14.371 1.00 0.00 O ATOM 773 CB ASP A 53 14.222 0.814 13.193 1.00 0.00 C ATOM 774 CG ASP A 53 13.060 1.576 12.561 1.00 0.00 C ATOM 775 OD1 ASP A 53 12.943 1.568 11.311 1.00 0.00 O ATOM 776 OD2 ASP A 53 12.282 2.208 13.300 1.00 0.00 O ATOM 0 H ASP A 53 13.865 0.124 10.855 1.00 0.00 H new ATOM 0 HA ASP A 53 15.224 -1.088 13.106 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.126 0.851 14.278 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.157 1.313 12.939 1.00 0.00 H new ATOM 781 N ASP A 54 12.037 -1.458 12.578 1.00 0.00 N ATOM 782 CA ASP A 54 10.770 -2.055 13.010 1.00 0.00 C ATOM 783 C ASP A 54 9.643 -1.541 12.125 1.00 0.00 C ATOM 784 O ASP A 54 8.629 -2.206 11.928 1.00 0.00 O ATOM 785 CB ASP A 54 10.453 -1.696 14.471 1.00 0.00 C ATOM 786 CG ASP A 54 9.186 -2.354 14.984 1.00 0.00 C ATOM 787 OD1 ASP A 54 9.212 -3.576 15.251 1.00 0.00 O ATOM 788 OD2 ASP A 54 8.163 -1.653 15.138 1.00 0.00 O ATOM 0 H ASP A 54 11.996 -1.047 11.646 1.00 0.00 H new ATOM 0 HA ASP A 54 10.861 -3.138 12.928 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.291 -1.993 15.102 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.355 -0.614 14.560 1.00 0.00 H new ATOM 793 N ARG A 55 9.851 -0.356 11.568 1.00 0.00 N ATOM 794 CA ARG A 55 8.810 0.342 10.838 1.00 0.00 C ATOM 795 C ARG A 55 9.044 0.206 9.332 1.00 0.00 C ATOM 796 O ARG A 55 10.167 -0.066 8.897 1.00 0.00 O ATOM 797 CB ARG A 55 8.804 1.813 11.271 1.00 0.00 C ATOM 798 CG ARG A 55 8.803 1.977 12.786 1.00 0.00 C ATOM 799 CD ARG A 55 9.014 3.420 13.216 1.00 0.00 C ATOM 800 NE ARG A 55 7.788 4.217 13.162 1.00 0.00 N ATOM 801 CZ ARG A 55 7.766 5.524 12.912 1.00 0.00 C ATOM 802 NH1 ARG A 55 8.884 6.155 12.571 1.00 0.00 N ATOM 803 NH2 ARG A 55 6.625 6.199 12.997 1.00 0.00 N ATOM 0 H ARG A 55 10.740 0.143 11.610 1.00 0.00 H new ATOM 0 HA ARG A 55 7.837 -0.095 11.061 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.678 2.314 10.855 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.926 2.307 10.855 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.855 1.617 13.186 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.588 1.355 13.216 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.407 3.437 14.232 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.767 3.878 12.575 1.00 0.00 H new ATOM 0 HE ARG A 55 6.899 3.744 13.325 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.760 5.638 12.501 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.866 7.157 12.380 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.764 5.716 13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.610 7.201 12.805 1.00 0.00 H new ATOM 817 N PRO A 56 7.992 0.375 8.520 1.00 0.00 N ATOM 818 CA PRO A 56 8.088 0.226 7.071 1.00 0.00 C ATOM 819 C PRO A 56 8.757 1.425 6.405 1.00 0.00 C ATOM 820 O PRO A 56 8.297 2.559 6.529 1.00 0.00 O ATOM 821 CB PRO A 56 6.627 0.107 6.635 1.00 0.00 C ATOM 822 CG PRO A 56 5.859 0.865 7.663 1.00 0.00 C ATOM 823 CD PRO A 56 6.625 0.726 8.952 1.00 0.00 C ATOM 0 HA PRO A 56 8.702 -0.628 6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.476 0.526 5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.310 -0.935 6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.761 1.913 7.380 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.850 0.467 7.766 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.613 1.653 9.525 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.197 -0.048 9.589 1.00 0.00 H new ATOM 831 N HIS A 57 9.858 1.171 5.714 1.00 0.00 N ATOM 832 CA HIS A 57 10.558 2.219 4.986 1.00 0.00 C ATOM 833 C HIS A 57 10.376 2.018 3.486 1.00 0.00 C ATOM 834 O HIS A 57 10.851 1.035 2.920 1.00 0.00 O ATOM 835 CB HIS A 57 12.047 2.239 5.355 1.00 0.00 C ATOM 836 CG HIS A 57 12.308 2.641 6.776 1.00 0.00 C ATOM 837 ND1 HIS A 57 12.781 3.884 7.132 1.00 0.00 N ATOM 838 CD2 HIS A 57 12.163 1.954 7.933 1.00 0.00 C ATOM 839 CE1 HIS A 57 12.918 3.943 8.443 1.00 0.00 C ATOM 840 NE2 HIS A 57 12.547 2.783 8.954 1.00 0.00 N ATOM 0 H HIS A 57 10.286 0.248 5.642 1.00 0.00 H new ATOM 0 HA HIS A 57 10.133 3.183 5.266 1.00 0.00 H new ATOM 0 HB2 HIS A 57 12.469 1.249 5.183 1.00 0.00 H new ATOM 0 HB3 HIS A 57 12.568 2.927 4.690 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.809 0.938 8.033 1.00 0.00 H new ATOM 0 HE1 HIS A 57 13.273 4.795 9.003 1.00 0.00 H new ATOM 0 HE2 HIS A 57 12.546 2.544 9.946 1.00 0.00 H new ATOM 849 N LEU A 58 9.657 2.938 2.859 1.00 0.00 N ATOM 850 CA LEU A 58 9.358 2.843 1.437 1.00 0.00 C ATOM 851 C LEU A 58 10.316 3.700 0.619 1.00 0.00 C ATOM 852 O LEU A 58 10.690 4.801 1.025 1.00 0.00 O ATOM 853 CB LEU A 58 7.910 3.269 1.171 1.00 0.00 C ATOM 854 CG LEU A 58 6.843 2.440 1.893 1.00 0.00 C ATOM 855 CD1 LEU A 58 5.456 2.949 1.545 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.978 0.963 1.541 1.00 0.00 C ATOM 0 H LEU A 58 9.268 3.763 3.315 1.00 0.00 H new ATOM 0 HA LEU A 58 9.485 1.804 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.796 4.313 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.724 3.216 0.098 1.00 0.00 H new ATOM 0 HG LEU A 58 6.992 2.547 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.708 2.351 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.364 3.991 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.299 2.871 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.211 0.393 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.857 0.833 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.963 0.606 1.841 1.00 0.00 H new ATOM 868 N TYR A 59 10.717 3.178 -0.530 1.00 0.00 N ATOM 869 CA TYR A 59 11.618 3.884 -1.430 1.00 0.00 C ATOM 870 C TYR A 59 11.111 3.757 -2.857 1.00 0.00 C ATOM 871 O TYR A 59 10.076 3.142 -3.091 1.00 0.00 O ATOM 872 CB TYR A 59 13.041 3.319 -1.326 1.00 0.00 C ATOM 873 CG TYR A 59 13.626 3.403 0.065 1.00 0.00 C ATOM 874 CD1 TYR A 59 14.178 4.588 0.534 1.00 0.00 C ATOM 875 CD2 TYR A 59 13.620 2.302 0.909 1.00 0.00 C ATOM 876 CE1 TYR A 59 14.705 4.674 1.805 1.00 0.00 C ATOM 877 CE2 TYR A 59 14.147 2.379 2.182 1.00 0.00 C ATOM 878 CZ TYR A 59 14.689 3.568 2.625 1.00 0.00 C ATOM 879 OH TYR A 59 15.215 3.650 3.894 1.00 0.00 O ATOM 0 H TYR A 59 10.429 2.258 -0.864 1.00 0.00 H new ATOM 0 HA TYR A 59 11.646 4.936 -1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.033 2.277 -1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.689 3.859 -2.017 1.00 0.00 H new ATOM 0 HD1 TYR A 59 14.195 5.457 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.196 1.370 0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 59 15.128 5.604 2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.135 1.513 2.828 1.00 0.00 H new ATOM 0 HH TYR A 59 15.124 2.783 4.342 1.00 0.00 H new ATOM 889 N LYS A 60 11.851 4.316 -3.807 1.00 0.00 N ATOM 890 CA LYS A 60 11.470 4.243 -5.216 1.00 0.00 C ATOM 891 C LYS A 60 11.888 2.904 -5.822 1.00 0.00 C ATOM 892 O LYS A 60 11.910 2.745 -7.042 1.00 0.00 O ATOM 893 CB LYS A 60 12.106 5.391 -6.008 1.00 0.00 C ATOM 894 CG LYS A 60 11.648 6.772 -5.575 1.00 0.00 C ATOM 895 CD LYS A 60 12.190 7.849 -6.503 1.00 0.00 C ATOM 896 CE LYS A 60 11.760 9.241 -6.066 1.00 0.00 C ATOM 897 NZ LYS A 60 12.394 9.642 -4.782 1.00 0.00 N ATOM 0 H LYS A 60 12.717 4.824 -3.630 1.00 0.00 H new ATOM 0 HA LYS A 60 10.385 4.331 -5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.190 5.331 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.877 5.259 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.559 6.810 -5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.982 6.965 -4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.278 7.795 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.841 7.663 -7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.023 9.962 -6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.676 9.269 -5.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.198 10.646 -4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.006 9.065 -4.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.422 9.495 -4.842 1.00 0.00 H new ATOM 911 N LEU A 61 12.217 1.947 -4.963 1.00 0.00 N ATOM 912 CA LEU A 61 12.661 0.634 -5.401 1.00 0.00 C ATOM 913 C LEU A 61 12.483 -0.377 -4.275 1.00 0.00 C ATOM 914 O LEU A 61 13.050 -0.214 -3.191 1.00 0.00 O ATOM 915 CB LEU A 61 14.131 0.692 -5.828 1.00 0.00 C ATOM 916 CG LEU A 61 14.705 -0.608 -6.394 1.00 0.00 C ATOM 917 CD1 LEU A 61 13.970 -1.012 -7.665 1.00 0.00 C ATOM 918 CD2 LEU A 61 16.196 -0.457 -6.657 1.00 0.00 C ATOM 0 H LEU A 61 12.183 2.060 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 61 12.059 0.323 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.242 1.475 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.730 0.988 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 61 14.564 -1.399 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.394 -1.939 -8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.913 -1.161 -7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.076 -0.226 -8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.591 -1.390 -7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.359 0.346 -7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.708 -0.219 -5.724 1.00 0.00 H new ATOM 930 N GLY A 62 11.686 -1.404 -4.525 1.00 0.00 N ATOM 931 CA GLY A 62 11.464 -2.423 -3.521 1.00 0.00 C ATOM 932 C GLY A 62 10.036 -2.939 -3.504 1.00 0.00 C ATOM 933 O GLY A 62 9.788 -4.080 -3.893 1.00 0.00 O ATOM 0 H GLY A 62 11.189 -1.550 -5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.143 -3.256 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.710 -2.018 -2.539 1.00 0.00 H new ATOM 937 N PRO A 63 9.072 -2.125 -3.042 1.00 0.00 N ATOM 938 CA PRO A 63 7.672 -2.542 -2.915 1.00 0.00 C ATOM 939 C PRO A 63 6.979 -2.748 -4.259 1.00 0.00 C ATOM 940 O PRO A 63 6.907 -1.836 -5.085 1.00 0.00 O ATOM 941 CB PRO A 63 7.009 -1.386 -2.151 1.00 0.00 C ATOM 942 CG PRO A 63 8.133 -0.551 -1.633 1.00 0.00 C ATOM 943 CD PRO A 63 9.264 -0.742 -2.595 1.00 0.00 C ATOM 0 HA PRO A 63 7.598 -3.506 -2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.359 -0.806 -2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.390 -1.759 -1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.844 0.498 -1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.419 -0.861 -0.628 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.214 -0.037 -3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.233 -0.602 -2.115 1.00 0.00 H new ATOM 951 N GLU A 64 6.473 -3.954 -4.464 1.00 0.00 N ATOM 952 CA GLU A 64 5.720 -4.288 -5.664 1.00 0.00 C ATOM 953 C GLU A 64 4.358 -4.856 -5.284 1.00 0.00 C ATOM 954 O GLU A 64 4.199 -5.442 -4.210 1.00 0.00 O ATOM 955 CB GLU A 64 6.473 -5.312 -6.513 1.00 0.00 C ATOM 956 CG GLU A 64 7.774 -4.797 -7.102 1.00 0.00 C ATOM 957 CD GLU A 64 8.488 -5.852 -7.917 1.00 0.00 C ATOM 958 OE1 GLU A 64 7.961 -6.242 -8.983 1.00 0.00 O ATOM 959 OE2 GLU A 64 9.580 -6.289 -7.503 1.00 0.00 O ATOM 0 H GLU A 64 6.572 -4.727 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 64 5.590 -3.375 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.686 -6.188 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.825 -5.641 -7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.569 -3.931 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.427 -4.458 -6.297 1.00 0.00 H new ATOM 966 N LEU A 65 3.381 -4.683 -6.162 1.00 0.00 N ATOM 967 CA LEU A 65 2.050 -5.235 -5.933 1.00 0.00 C ATOM 968 C LEU A 65 1.977 -6.654 -6.476 1.00 0.00 C ATOM 969 O LEU A 65 2.489 -6.943 -7.561 1.00 0.00 O ATOM 970 CB LEU A 65 0.957 -4.365 -6.575 1.00 0.00 C ATOM 971 CG LEU A 65 0.779 -2.966 -5.970 1.00 0.00 C ATOM 972 CD1 LEU A 65 1.819 -1.998 -6.513 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.628 -2.448 -6.228 1.00 0.00 C ATOM 0 H LEU A 65 3.482 -4.167 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 65 1.873 -5.248 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.182 -4.256 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.007 -4.895 -6.503 1.00 0.00 H new ATOM 0 HG LEU A 65 0.925 -3.042 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.669 -1.015 -6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.817 -2.360 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.718 -1.925 -7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.736 -1.455 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.804 -2.394 -7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.353 -3.124 -5.775 1.00 0.00 H new ATOM 985 N THR A 66 1.351 -7.533 -5.714 1.00 0.00 N ATOM 986 CA THR A 66 1.259 -8.936 -6.078 1.00 0.00 C ATOM 987 C THR A 66 0.110 -9.179 -7.046 1.00 0.00 C ATOM 988 O THR A 66 -0.671 -8.271 -7.336 1.00 0.00 O ATOM 989 CB THR A 66 1.045 -9.803 -4.822 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.140 -9.377 -4.135 1.00 0.00 O ATOM 991 CG2 THR A 66 2.238 -9.707 -3.885 1.00 0.00 C ATOM 0 H THR A 66 0.895 -7.297 -4.832 1.00 0.00 H new ATOM 0 HA THR A 66 2.196 -9.211 -6.563 1.00 0.00 H new ATOM 0 HB THR A 66 0.935 -10.841 -5.137 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.096 -9.663 -3.199 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.062 -10.328 -3.007 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.134 -10.053 -4.400 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.375 -8.671 -3.575 1.00 0.00 H new ATOM 999 N GLU A 67 0.015 -10.405 -7.546 1.00 0.00 N ATOM 1000 CA GLU A 67 -1.133 -10.824 -8.341 1.00 0.00 C ATOM 1001 C GLU A 67 -2.403 -10.628 -7.516 1.00 0.00 C ATOM 1002 O GLU A 67 -3.429 -10.169 -8.021 1.00 0.00 O ATOM 1003 CB GLU A 67 -0.982 -12.297 -8.740 1.00 0.00 C ATOM 1004 CG GLU A 67 -2.048 -12.803 -9.701 1.00 0.00 C ATOM 1005 CD GLU A 67 -1.876 -12.269 -11.109 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -0.876 -12.624 -11.766 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -2.749 -11.513 -11.580 1.00 0.00 O ATOM 0 H GLU A 67 0.722 -11.129 -7.414 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.193 -10.224 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.002 -12.438 -9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.004 -12.909 -7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.020 -13.892 -9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.031 -12.518 -9.327 1.00 0.00 H new ATOM 1014 N LYS A 68 -2.305 -10.973 -6.236 1.00 0.00 N ATOM 1015 CA LYS A 68 -3.383 -10.772 -5.279 1.00 0.00 C ATOM 1016 C LYS A 68 -3.811 -9.306 -5.246 1.00 0.00 C ATOM 1017 O LYS A 68 -4.983 -8.985 -5.440 1.00 0.00 O ATOM 1018 CB LYS A 68 -2.916 -11.205 -3.883 1.00 0.00 C ATOM 1019 CG LYS A 68 -3.985 -11.094 -2.807 1.00 0.00 C ATOM 1020 CD LYS A 68 -5.009 -12.212 -2.906 1.00 0.00 C ATOM 1021 CE LYS A 68 -4.395 -13.561 -2.566 1.00 0.00 C ATOM 1022 NZ LYS A 68 -3.812 -13.581 -1.195 1.00 0.00 N ATOM 0 H LYS A 68 -1.471 -11.401 -5.834 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.238 -11.375 -5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.571 -12.238 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.060 -10.596 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.514 -11.119 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.489 -10.132 -2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.839 -12.008 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.420 -12.242 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.157 -14.336 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.619 -13.799 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.684 -14.566 -0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.891 -13.098 -1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.454 -13.093 -0.538 1.00 0.00 H new ATOM 1036 N GLY A 69 -2.847 -8.420 -5.010 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.143 -7.004 -4.902 1.00 0.00 C ATOM 1038 C GLY A 69 -3.617 -6.398 -6.209 1.00 0.00 C ATOM 1039 O GLY A 69 -4.559 -5.605 -6.224 1.00 0.00 O ATOM 0 H GLY A 69 -1.863 -8.660 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.908 -6.855 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.251 -6.476 -4.565 1.00 0.00 H new ATOM 1043 N GLU A 70 -2.976 -6.785 -7.304 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.293 -6.240 -8.619 1.00 0.00 C ATOM 1045 C GLU A 70 -4.757 -6.484 -8.983 1.00 0.00 C ATOM 1046 O GLU A 70 -5.457 -5.571 -9.422 1.00 0.00 O ATOM 1047 CB GLU A 70 -2.377 -6.853 -9.679 1.00 0.00 C ATOM 1048 CG GLU A 70 -2.593 -6.283 -11.069 1.00 0.00 C ATOM 1049 CD GLU A 70 -1.776 -6.992 -12.122 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -0.582 -6.666 -12.282 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -2.329 -7.881 -12.801 1.00 0.00 O ATOM 0 H GLU A 70 -2.228 -7.479 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.130 -5.163 -8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.339 -6.694 -9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.538 -7.931 -9.708 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.650 -6.354 -11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.336 -5.224 -11.067 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.222 -7.711 -8.779 1.00 0.00 N ATOM 1059 CA ASN A 71 -6.605 -8.062 -9.094 1.00 0.00 C ATOM 1060 C ASN A 71 -7.559 -7.441 -8.086 1.00 0.00 C ATOM 1061 O ASN A 71 -8.715 -7.153 -8.399 1.00 0.00 O ATOM 1062 CB ASN A 71 -6.791 -9.583 -9.116 1.00 0.00 C ATOM 1063 CG ASN A 71 -6.149 -10.235 -10.325 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -6.784 -10.404 -11.367 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -4.890 -10.611 -10.194 1.00 0.00 N ATOM 0 H ASN A 71 -4.666 -8.477 -8.399 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.832 -7.668 -10.085 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.364 -10.010 -8.209 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.856 -9.815 -9.106 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.408 -11.060 -10.973 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.399 -10.453 -9.314 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.060 -7.215 -6.879 1.00 0.00 N ATOM 1073 CA TYR A 72 -7.873 -6.670 -5.803 1.00 0.00 C ATOM 1074 C TYR A 72 -8.205 -5.205 -6.071 1.00 0.00 C ATOM 1075 O TYR A 72 -9.215 -4.697 -5.594 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.136 -6.818 -4.470 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.030 -6.729 -3.256 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -8.868 -7.783 -2.915 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -8.030 -5.603 -2.446 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -9.683 -7.713 -1.803 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -8.843 -5.529 -1.331 1.00 0.00 C ATOM 1082 CZ TYR A 72 -9.666 -6.585 -1.014 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.476 -6.510 0.093 1.00 0.00 O ATOM 0 H TYR A 72 -6.091 -7.402 -6.620 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.809 -7.226 -5.753 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.620 -7.778 -4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.372 -6.044 -4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.882 -8.671 -3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.385 -4.772 -2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.331 -8.540 -1.553 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.832 -4.645 -0.710 1.00 0.00 H new ATOM 0 HH TYR A 72 -10.341 -5.648 0.539 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.352 -4.546 -6.860 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.524 -3.133 -7.223 1.00 0.00 C ATOM 1095 C LEU A 73 -8.854 -2.869 -7.942 1.00 0.00 C ATOM 1096 O LEU A 73 -9.307 -1.724 -8.010 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.369 -2.681 -8.128 1.00 0.00 C ATOM 1098 CG LEU A 73 -4.980 -2.681 -7.485 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -3.906 -2.496 -8.544 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -4.873 -1.585 -6.436 1.00 0.00 C ATOM 0 H LEU A 73 -6.521 -4.976 -7.267 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.527 -2.565 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.343 -3.330 -9.004 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.584 -1.673 -8.484 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.831 -3.644 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.924 -2.498 -8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.963 -3.311 -9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.060 -1.546 -9.056 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.878 -1.603 -5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.044 -0.616 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.620 -1.750 -5.660 1.00 0.00 H new ATOM 1112 N LYS A 74 -9.453 -3.930 -8.483 1.00 0.00 N ATOM 1113 CA LYS A 74 -10.676 -3.845 -9.290 1.00 0.00 C ATOM 1114 C LYS A 74 -11.726 -2.893 -8.692 1.00 0.00 C ATOM 1115 O LYS A 74 -12.251 -2.025 -9.391 1.00 0.00 O ATOM 1116 CB LYS A 74 -11.281 -5.245 -9.431 1.00 0.00 C ATOM 1117 CG LYS A 74 -12.424 -5.330 -10.433 1.00 0.00 C ATOM 1118 CD LYS A 74 -13.361 -6.483 -10.104 1.00 0.00 C ATOM 1119 CE LYS A 74 -14.018 -6.256 -8.754 1.00 0.00 C ATOM 1120 NZ LYS A 74 -14.980 -7.326 -8.382 1.00 0.00 N ATOM 0 H LYS A 74 -9.102 -4.882 -8.374 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.395 -3.440 -10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.496 -5.940 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.641 -5.573 -8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.982 -4.393 -10.432 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.021 -5.461 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.124 -6.573 -10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.806 -7.421 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.245 -6.189 -7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.538 -5.298 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.468 -7.063 -7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.678 -7.445 -9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.467 -8.220 -8.240 1.00 0.00 H new ATOM 1134 N GLU A 75 -12.020 -3.044 -7.402 1.00 0.00 N ATOM 1135 CA GLU A 75 -13.083 -2.263 -6.760 1.00 0.00 C ATOM 1136 C GLU A 75 -12.650 -0.812 -6.545 1.00 0.00 C ATOM 1137 O GLU A 75 -13.447 0.119 -6.691 1.00 0.00 O ATOM 1138 CB GLU A 75 -13.474 -2.887 -5.416 1.00 0.00 C ATOM 1139 CG GLU A 75 -13.851 -4.359 -5.499 1.00 0.00 C ATOM 1140 CD GLU A 75 -15.162 -4.615 -6.222 1.00 0.00 C ATOM 1141 OE1 GLU A 75 -15.677 -3.699 -6.901 1.00 0.00 O ATOM 1142 OE2 GLU A 75 -15.672 -5.753 -6.132 1.00 0.00 O ATOM 0 H GLU A 75 -11.541 -3.696 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.946 -2.274 -7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.642 -2.775 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.314 -2.331 -5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -13.054 -4.901 -6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.918 -4.765 -4.490 1.00 0.00 H new ATOM 1149 N ASN A 76 -11.378 -0.630 -6.211 1.00 0.00 N ATOM 1150 CA ASN A 76 -10.814 0.689 -5.950 1.00 0.00 C ATOM 1151 C ASN A 76 -10.910 1.566 -7.193 1.00 0.00 C ATOM 1152 O ASN A 76 -10.875 2.796 -7.109 1.00 0.00 O ATOM 1153 CB ASN A 76 -9.354 0.550 -5.498 1.00 0.00 C ATOM 1154 CG ASN A 76 -8.737 1.864 -5.056 1.00 0.00 C ATOM 1155 OD1 ASN A 76 -9.430 2.776 -4.606 1.00 0.00 O ATOM 1156 ND2 ASN A 76 -7.422 1.961 -5.159 1.00 0.00 N ATOM 0 H ASN A 76 -10.708 -1.393 -6.113 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.385 1.167 -5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.301 -0.163 -4.676 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.765 0.137 -6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.949 2.814 -4.860 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.881 1.183 -5.537 1.00 0.00 H new ATOM 1163 N GLY A 77 -11.050 0.920 -8.346 1.00 0.00 N ATOM 1164 CA GLY A 77 -11.235 1.637 -9.592 1.00 0.00 C ATOM 1165 C GLY A 77 -12.461 2.537 -9.580 1.00 0.00 C ATOM 1166 O GLY A 77 -12.447 3.614 -10.176 1.00 0.00 O ATOM 0 H GLY A 77 -11.038 -0.096 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.350 2.240 -9.793 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.325 0.920 -10.408 1.00 0.00 H new ATOM 1170 N THR A 78 -13.520 2.115 -8.894 1.00 0.00 N ATOM 1171 CA THR A 78 -14.745 2.901 -8.848 1.00 0.00 C ATOM 1172 C THR A 78 -14.843 3.681 -7.533 1.00 0.00 C ATOM 1173 O THR A 78 -15.722 4.524 -7.363 1.00 0.00 O ATOM 1174 CB THR A 78 -16.004 2.019 -9.043 1.00 0.00 C ATOM 1175 OG1 THR A 78 -17.139 2.840 -9.349 1.00 0.00 O ATOM 1176 CG2 THR A 78 -16.300 1.186 -7.803 1.00 0.00 C ATOM 0 H THR A 78 -13.553 1.242 -8.368 1.00 0.00 H new ATOM 0 HA THR A 78 -14.703 3.609 -9.676 1.00 0.00 H new ATOM 0 HB THR A 78 -15.806 1.340 -9.872 1.00 0.00 H new ATOM 0 HG1 THR A 78 -17.047 3.706 -8.900 1.00 0.00 H new ATOM 0 HG21 THR A 78 -17.189 0.580 -7.976 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.452 0.534 -7.592 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.471 1.847 -6.953 1.00 0.00 H new ATOM 1184 N TRP A 79 -13.934 3.401 -6.604 1.00 0.00 N ATOM 1185 CA TRP A 79 -13.881 4.145 -5.353 1.00 0.00 C ATOM 1186 C TRP A 79 -13.146 5.463 -5.576 1.00 0.00 C ATOM 1187 O TRP A 79 -13.541 6.510 -5.060 1.00 0.00 O ATOM 1188 CB TRP A 79 -13.193 3.312 -4.259 1.00 0.00 C ATOM 1189 CG TRP A 79 -13.221 3.943 -2.894 1.00 0.00 C ATOM 1190 CD1 TRP A 79 -14.041 4.949 -2.462 1.00 0.00 C ATOM 1191 CD2 TRP A 79 -12.396 3.596 -1.774 1.00 0.00 C ATOM 1192 NE1 TRP A 79 -13.762 5.258 -1.153 1.00 0.00 N ATOM 1193 CE2 TRP A 79 -12.761 4.439 -0.707 1.00 0.00 C ATOM 1194 CE3 TRP A 79 -11.381 2.659 -1.574 1.00 0.00 C ATOM 1195 CZ2 TRP A 79 -12.147 4.369 0.541 1.00 0.00 C ATOM 1196 CZ3 TRP A 79 -10.773 2.589 -0.335 1.00 0.00 C ATOM 1197 CH2 TRP A 79 -11.157 3.442 0.708 1.00 0.00 C ATOM 0 H TRP A 79 -13.229 2.669 -6.694 1.00 0.00 H new ATOM 0 HA TRP A 79 -14.896 4.359 -5.019 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -13.674 2.335 -4.205 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -12.156 3.141 -4.547 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -14.798 5.431 -3.063 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -14.226 5.981 -0.603 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -11.076 2.000 -2.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.443 5.024 1.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.989 1.865 -0.168 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.660 3.365 1.664 1.00 0.00 H new ATOM 1208 N SER A 80 -12.088 5.403 -6.372 1.00 0.00 N ATOM 1209 CA SER A 80 -11.316 6.588 -6.706 1.00 0.00 C ATOM 1210 C SER A 80 -11.948 7.328 -7.886 1.00 0.00 C ATOM 1211 O SER A 80 -11.920 8.557 -7.944 1.00 0.00 O ATOM 1212 CB SER A 80 -9.869 6.197 -7.020 1.00 0.00 C ATOM 1213 OG SER A 80 -9.811 5.117 -7.942 1.00 0.00 O ATOM 0 H SER A 80 -11.745 4.543 -6.799 1.00 0.00 H new ATOM 0 HA SER A 80 -11.316 7.262 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.339 7.057 -7.431 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.358 5.918 -6.098 1.00 0.00 H new ATOM 0 HG SER A 80 -9.900 4.269 -7.459 1.00 0.00 H new ATOM 1219 N LYS A 81 -12.522 6.558 -8.814 1.00 0.00 N ATOM 1220 CA LYS A 81 -13.218 7.099 -9.983 1.00 0.00 C ATOM 1221 C LYS A 81 -12.259 7.813 -10.935 1.00 0.00 C ATOM 1222 O LYS A 81 -11.782 7.212 -11.902 1.00 0.00 O ATOM 1223 CB LYS A 81 -14.363 8.032 -9.564 1.00 0.00 C ATOM 1224 CG LYS A 81 -15.480 7.318 -8.820 1.00 0.00 C ATOM 1225 CD LYS A 81 -16.547 8.283 -8.330 1.00 0.00 C ATOM 1226 CE LYS A 81 -17.653 7.541 -7.597 1.00 0.00 C ATOM 1227 NZ LYS A 81 -18.660 8.467 -7.022 1.00 0.00 N ATOM 0 H LYS A 81 -12.517 5.539 -8.775 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.646 6.253 -10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.963 8.825 -8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.776 8.511 -10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.936 6.576 -9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.062 6.778 -7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.098 9.022 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.967 8.827 -9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -18.145 6.853 -8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.218 6.938 -6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -19.395 7.919 -6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.197 9.107 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -19.095 9.024 -7.785 1.00 0.00 H new ATOM 1241 N ALA A 82 -11.965 9.075 -10.653 1.00 0.00 N ATOM 1242 CA ALA A 82 -11.120 9.888 -11.521 1.00 0.00 C ATOM 1243 C ALA A 82 -10.781 11.209 -10.850 1.00 0.00 C ATOM 1244 O ALA A 82 -9.658 11.420 -10.393 1.00 0.00 O ATOM 1245 CB ALA A 82 -11.811 10.143 -12.856 1.00 0.00 C ATOM 0 H ALA A 82 -12.302 9.562 -9.823 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.195 9.341 -11.705 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.165 10.751 -13.490 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.012 9.192 -13.349 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.750 10.669 -12.685 1.00 0.00 H new TER 1251 ALA A 82