USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 752 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 44 THR OG1 : rot 180:sc= -0.05 USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 11 SER OG : rot 140:sc= -0.33 USER MOD Set 2.2: A 13 HIS : no HE2:sc= -3.39! C(o=-3.7!,f=-13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0 (180deg=-0.456) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -118:sc= -0.0417 (180deg=-0.387) USER MOD Single : A 14 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.8!) USER MOD Single : A 16 HIS : no HD1:sc= -6.78! C(o=-6.8!,f=-6.8!) USER MOD Single : A 17 TYR OH : rot 165:sc= 0 USER MOD Single : A 22 THR OG1 : rot 118:sc= 0.834 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.12) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.495 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.382 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 93:sc= 0.414 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 69 THR OG1 : rot -35:sc= 0.179! USER MOD Single : A 76 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.3) USER MOD Single : A 82 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.847 11.424 -7.817 1.00 0.00 N ATOM 2 CA MET A 1 -9.012 10.898 -7.048 1.00 0.00 C ATOM 3 C MET A 1 -8.555 9.790 -6.092 1.00 0.00 C ATOM 4 O MET A 1 -8.627 9.929 -4.887 1.00 0.00 O ATOM 5 CB MET A 1 -9.964 10.337 -8.106 1.00 0.00 C ATOM 6 CG MET A 1 -10.700 11.488 -8.792 1.00 0.00 C ATOM 7 SD MET A 1 -12.064 10.828 -9.781 1.00 0.00 S ATOM 8 CE MET A 1 -13.403 11.679 -8.911 1.00 0.00 C ATOM 0 H1 MET A 1 -7.692 12.423 -7.572 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.997 10.873 -7.580 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.039 11.343 -8.836 1.00 0.00 H new ATOM 0 HA MET A 1 -9.488 11.667 -6.439 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.406 9.758 -8.842 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.680 9.658 -7.643 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.082 12.185 -8.046 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.012 12.046 -9.428 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.358 11.412 -9.363 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.403 11.381 -7.862 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.256 12.757 -8.982 1.00 0.00 H new ATOM 20 N VAL A 2 -8.084 8.694 -6.619 1.00 0.00 N ATOM 21 CA VAL A 2 -7.622 7.579 -5.738 1.00 0.00 C ATOM 22 C VAL A 2 -6.520 6.770 -6.430 1.00 0.00 C ATOM 23 O VAL A 2 -6.771 6.017 -7.350 1.00 0.00 O ATOM 24 CB VAL A 2 -8.858 6.702 -5.493 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.826 7.433 -4.562 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.563 6.398 -6.820 1.00 0.00 C ATOM 0 H VAL A 2 -7.998 8.520 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.203 7.953 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.541 5.765 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.704 6.810 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.332 7.638 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.133 8.373 -5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.438 5.775 -6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.875 7.331 -7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.878 5.871 -7.484 1.00 0.00 H new ATOM 36 N LYS A 3 -5.301 6.919 -5.993 1.00 0.00 N ATOM 37 CA LYS A 3 -4.184 6.157 -6.621 1.00 0.00 C ATOM 38 C LYS A 3 -3.206 5.672 -5.548 1.00 0.00 C ATOM 39 O LYS A 3 -2.739 6.447 -4.735 1.00 0.00 O ATOM 40 CB LYS A 3 -3.495 7.161 -7.546 1.00 0.00 C ATOM 41 CG LYS A 3 -4.198 7.178 -8.903 1.00 0.00 C ATOM 42 CD LYS A 3 -4.587 8.615 -9.254 1.00 0.00 C ATOM 43 CE LYS A 3 -5.743 8.601 -10.255 1.00 0.00 C ATOM 44 NZ LYS A 3 -5.488 9.761 -11.156 1.00 0.00 N ATOM 0 H LYS A 3 -5.029 7.536 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.536 5.276 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.519 8.156 -7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.446 6.893 -7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.541 6.769 -9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.086 6.546 -8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.879 9.154 -8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.732 9.141 -9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.770 7.666 -10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.704 8.698 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.241 9.817 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.475 10.638 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.570 9.638 -11.629 1.00 0.00 H new ATOM 58 N ILE A 4 -2.873 4.408 -5.539 1.00 0.00 N ATOM 59 CA ILE A 4 -1.910 3.914 -4.519 1.00 0.00 C ATOM 60 C ILE A 4 -0.524 3.771 -5.150 1.00 0.00 C ATOM 61 O ILE A 4 -0.374 3.240 -6.229 1.00 0.00 O ATOM 62 CB ILE A 4 -2.449 2.576 -4.029 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.827 2.786 -3.410 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.502 1.996 -2.978 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.621 1.488 -3.508 1.00 0.00 C ATOM 0 H ILE A 4 -3.224 3.704 -6.189 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.807 4.604 -3.681 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.525 1.884 -4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.729 3.089 -2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.353 3.589 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.889 1.039 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.516 1.850 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.425 2.685 -2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.608 1.631 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.729 1.206 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.095 0.698 -2.972 1.00 0.00 H new ATOM 77 N ARG A 5 0.490 4.256 -4.493 1.00 0.00 N ATOM 78 CA ARG A 5 1.855 4.159 -5.071 1.00 0.00 C ATOM 79 C ARG A 5 2.898 4.109 -3.961 1.00 0.00 C ATOM 80 O ARG A 5 2.573 4.029 -2.799 1.00 0.00 O ATOM 81 CB ARG A 5 2.027 5.419 -5.921 1.00 0.00 C ATOM 82 CG ARG A 5 1.769 6.665 -5.067 1.00 0.00 C ATOM 83 CD ARG A 5 1.048 7.720 -5.911 1.00 0.00 C ATOM 84 NE ARG A 5 1.589 9.029 -5.440 1.00 0.00 N ATOM 85 CZ ARG A 5 1.459 10.113 -6.169 1.00 0.00 C ATOM 86 NH1 ARG A 5 0.851 10.076 -7.328 1.00 0.00 N ATOM 87 NH2 ARG A 5 1.941 11.245 -5.732 1.00 0.00 N ATOM 0 H ARG A 5 0.432 4.714 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 5 1.984 3.254 -5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.035 5.454 -6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.337 5.396 -6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.166 6.405 -4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.712 7.065 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.240 7.573 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.032 7.666 -5.772 1.00 0.00 H new ATOM 0 HE ARG A 5 2.066 9.082 -4.540 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.470 9.196 -7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.758 10.927 -7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.415 11.283 -4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.844 12.091 -6.293 1.00 0.00 H new ATOM 101 N LEU A 6 4.151 4.173 -4.311 1.00 0.00 N ATOM 102 CA LEU A 6 5.212 4.131 -3.270 1.00 0.00 C ATOM 103 C LEU A 6 5.522 5.543 -2.774 1.00 0.00 C ATOM 104 O LEU A 6 5.806 6.437 -3.545 1.00 0.00 O ATOM 105 CB LEU A 6 6.437 3.548 -3.977 1.00 0.00 C ATOM 106 CG LEU A 6 6.256 2.044 -4.170 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.464 1.787 -5.453 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.631 1.381 -4.280 1.00 0.00 C ATOM 0 H LEU A 6 4.485 4.252 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 6 4.912 3.541 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.576 4.034 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.334 3.743 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 6 5.715 1.628 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.334 0.714 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.487 2.264 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.006 2.200 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.507 0.307 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.168 1.797 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.198 1.567 -3.368 1.00 0.00 H new ATOM 120 N ALA A 7 5.467 5.747 -1.488 1.00 0.00 N ATOM 121 CA ALA A 7 5.754 7.095 -0.933 1.00 0.00 C ATOM 122 C ALA A 7 7.194 7.151 -0.418 1.00 0.00 C ATOM 123 O ALA A 7 7.510 6.608 0.612 1.00 0.00 O ATOM 124 CB ALA A 7 4.770 7.226 0.224 1.00 0.00 C ATOM 0 H ALA A 7 5.235 5.034 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 7 5.650 7.894 -1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.901 8.195 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.751 7.143 -0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.953 6.433 0.949 1.00 0.00 H new ATOM 130 N ARG A 8 8.070 7.792 -1.138 1.00 0.00 N ATOM 131 CA ARG A 8 9.493 7.863 -0.700 1.00 0.00 C ATOM 132 C ARG A 8 9.665 8.777 0.518 1.00 0.00 C ATOM 133 O ARG A 8 9.356 9.952 0.474 1.00 0.00 O ATOM 134 CB ARG A 8 10.240 8.449 -1.898 1.00 0.00 C ATOM 135 CG ARG A 8 11.733 8.145 -1.773 1.00 0.00 C ATOM 136 CD ARG A 8 12.488 9.425 -1.412 1.00 0.00 C ATOM 137 NE ARG A 8 12.407 10.276 -2.634 1.00 0.00 N ATOM 138 CZ ARG A 8 12.923 11.482 -2.648 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.548 11.958 -1.599 1.00 0.00 N ATOM 140 NH2 ARG A 8 12.818 12.216 -3.722 1.00 0.00 N ATOM 0 H ARG A 8 7.862 8.272 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 8 9.865 6.883 -0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.849 8.027 -2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.081 9.526 -1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.897 7.386 -1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.112 7.740 -2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.035 9.922 -0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.524 9.212 -1.147 1.00 0.00 H new ATOM 0 HE ARG A 8 11.945 9.916 -3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.638 11.389 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.944 12.898 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.337 11.851 -4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.217 13.155 -3.739 1.00 0.00 H new ATOM 154 N PHE A 9 10.178 8.253 1.602 1.00 0.00 N ATOM 155 CA PHE A 9 10.396 9.104 2.816 1.00 0.00 C ATOM 156 C PHE A 9 11.886 9.165 3.153 1.00 0.00 C ATOM 157 O PHE A 9 12.494 10.217 3.182 1.00 0.00 O ATOM 158 CB PHE A 9 9.685 8.410 3.978 1.00 0.00 C ATOM 159 CG PHE A 9 8.336 7.890 3.577 1.00 0.00 C ATOM 160 CD1 PHE A 9 7.254 8.763 3.422 1.00 0.00 C ATOM 161 CD2 PHE A 9 8.160 6.519 3.408 1.00 0.00 C ATOM 162 CE1 PHE A 9 6.001 8.257 3.090 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.913 6.015 3.090 1.00 0.00 C ATOM 164 CZ PHE A 9 5.833 6.881 2.927 1.00 0.00 C ATOM 0 H PHE A 9 10.455 7.276 1.701 1.00 0.00 H new ATOM 0 HA PHE A 9 10.022 10.113 2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.299 7.585 4.339 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.573 9.110 4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.391 9.825 3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.999 5.849 3.526 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.163 8.925 2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.775 4.951 2.968 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.861 6.485 2.673 1.00 0.00 H new ATOM 174 N GLY A 10 12.460 8.025 3.442 1.00 0.00 N ATOM 175 CA GLY A 10 13.897 7.961 3.821 1.00 0.00 C ATOM 176 C GLY A 10 14.753 8.823 2.889 1.00 0.00 C ATOM 177 O GLY A 10 14.552 8.856 1.691 1.00 0.00 O ATOM 0 H GLY A 10 11.983 7.124 3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.020 8.300 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.241 6.927 3.783 1.00 0.00 H new ATOM 181 N SER A 11 15.716 9.511 3.440 1.00 0.00 N ATOM 182 CA SER A 11 16.609 10.368 2.607 1.00 0.00 C ATOM 183 C SER A 11 17.832 9.559 2.175 1.00 0.00 C ATOM 184 O SER A 11 17.915 9.076 1.064 1.00 0.00 O ATOM 185 CB SER A 11 17.042 11.523 3.521 1.00 0.00 C ATOM 186 OG SER A 11 16.865 11.152 4.883 1.00 0.00 O ATOM 0 H SER A 11 15.924 9.516 4.439 1.00 0.00 H new ATOM 0 HA SER A 11 16.110 10.730 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 11 18.086 11.774 3.336 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.456 12.415 3.298 1.00 0.00 H new ATOM 0 HG SER A 11 17.620 11.483 5.413 1.00 0.00 H new ATOM 192 N LYS A 12 18.778 9.410 3.056 1.00 0.00 N ATOM 193 CA LYS A 12 20.008 8.636 2.729 1.00 0.00 C ATOM 194 C LYS A 12 20.335 7.736 3.915 1.00 0.00 C ATOM 195 O LYS A 12 21.481 7.541 4.267 1.00 0.00 O ATOM 196 CB LYS A 12 21.115 9.682 2.548 1.00 0.00 C ATOM 197 CG LYS A 12 20.613 10.851 1.694 1.00 0.00 C ATOM 198 CD LYS A 12 21.732 11.329 0.767 1.00 0.00 C ATOM 199 CE LYS A 12 21.145 11.675 -0.602 1.00 0.00 C ATOM 200 NZ LYS A 12 20.851 10.358 -1.236 1.00 0.00 N ATOM 0 H LYS A 12 18.753 9.795 4.000 1.00 0.00 H new ATOM 0 HA LYS A 12 19.896 8.017 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 12 21.440 10.048 3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 12 21.983 9.224 2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.749 10.540 1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.285 11.669 2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 12 22.225 12.202 1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 12 22.490 10.553 0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.242 12.277 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.850 12.253 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.418 10.255 -2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.089 9.593 -0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.840 10.306 -1.476 1.00 0.00 H new ATOM 214 N HIS A 13 19.329 7.224 4.562 1.00 0.00 N ATOM 215 CA HIS A 13 19.572 6.376 5.765 1.00 0.00 C ATOM 216 C HIS A 13 18.743 5.090 5.671 1.00 0.00 C ATOM 217 O HIS A 13 19.249 3.999 5.835 1.00 0.00 O ATOM 218 CB HIS A 13 19.121 7.224 6.977 1.00 0.00 C ATOM 219 CG HIS A 13 19.250 8.700 6.670 1.00 0.00 C ATOM 220 ND1 HIS A 13 20.432 9.255 6.212 1.00 0.00 N ATOM 221 CD2 HIS A 13 18.340 9.726 6.689 1.00 0.00 C ATOM 222 CE1 HIS A 13 20.200 10.557 5.970 1.00 0.00 C ATOM 223 NE2 HIS A 13 18.945 10.896 6.249 1.00 0.00 N ATOM 0 H HIS A 13 18.349 7.354 4.312 1.00 0.00 H new ATOM 0 HA HIS A 13 20.618 6.084 5.853 1.00 0.00 H new ATOM 0 HB2 HIS A 13 18.087 6.988 7.228 1.00 0.00 H new ATOM 0 HB3 HIS A 13 19.726 6.974 7.848 1.00 0.00 H new ATOM 0 HD1 HIS A 13 21.317 8.766 6.082 1.00 0.00 H new ATOM 0 HD2 HIS A 13 17.309 9.637 6.999 1.00 0.00 H new ATOM 0 HE1 HIS A 13 20.943 11.245 5.594 1.00 0.00 H new ATOM 231 N ASN A 14 17.471 5.217 5.406 1.00 0.00 N ATOM 232 CA ASN A 14 16.601 4.010 5.296 1.00 0.00 C ATOM 233 C ASN A 14 15.719 4.111 4.044 1.00 0.00 C ATOM 234 O ASN A 14 14.736 4.825 4.040 1.00 0.00 O ATOM 235 CB ASN A 14 15.738 4.027 6.558 1.00 0.00 C ATOM 236 CG ASN A 14 15.355 2.594 6.933 1.00 0.00 C ATOM 237 OD1 ASN A 14 15.651 1.665 6.210 1.00 0.00 O ATOM 238 ND2 ASN A 14 14.702 2.376 8.040 1.00 0.00 N ATOM 0 H ASN A 14 16.995 6.107 5.260 1.00 0.00 H new ATOM 0 HA ASN A 14 17.179 3.090 5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.283 4.496 7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.841 4.623 6.390 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.440 1.425 8.299 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.453 3.157 8.648 1.00 0.00 H new ATOM 245 N PRO A 15 16.100 3.396 3.013 1.00 0.00 N ATOM 246 CA PRO A 15 15.324 3.422 1.749 1.00 0.00 C ATOM 247 C PRO A 15 14.030 2.613 1.880 1.00 0.00 C ATOM 248 O PRO A 15 14.045 1.398 1.897 1.00 0.00 O ATOM 249 CB PRO A 15 16.263 2.774 0.737 1.00 0.00 C ATOM 250 CG PRO A 15 17.176 1.907 1.546 1.00 0.00 C ATOM 251 CD PRO A 15 17.271 2.513 2.923 1.00 0.00 C ATOM 0 HA PRO A 15 15.019 4.429 1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.708 2.186 0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.824 3.526 0.182 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.790 0.889 1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.161 1.850 1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.251 1.746 3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.200 3.070 3.049 1.00 0.00 H new ATOM 259 N HIS A 16 12.910 3.279 1.957 1.00 0.00 N ATOM 260 CA HIS A 16 11.615 2.547 2.069 1.00 0.00 C ATOM 261 C HIS A 16 10.457 3.440 1.627 1.00 0.00 C ATOM 262 O HIS A 16 10.368 4.596 1.992 1.00 0.00 O ATOM 263 CB HIS A 16 11.465 2.187 3.550 1.00 0.00 C ATOM 264 CG HIS A 16 11.410 3.442 4.376 1.00 0.00 C ATOM 265 ND1 HIS A 16 10.270 4.242 4.460 1.00 0.00 N ATOM 266 CD2 HIS A 16 12.361 4.062 5.145 1.00 0.00 C ATOM 267 CE1 HIS A 16 10.581 5.289 5.253 1.00 0.00 C ATOM 268 NE2 HIS A 16 11.838 5.223 5.697 1.00 0.00 N ATOM 0 H HIS A 16 12.835 4.296 1.947 1.00 0.00 H new ATOM 0 HA HIS A 16 11.602 1.661 1.434 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.558 1.601 3.701 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.302 1.567 3.870 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.367 3.701 5.298 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.894 6.085 5.499 1.00 0.00 H new ATOM 0 HE2 HIS A 16 12.313 5.885 6.311 1.00 0.00 H new ATOM 276 N TYR A 17 9.562 2.905 0.854 1.00 0.00 N ATOM 277 CA TYR A 17 8.397 3.693 0.402 1.00 0.00 C ATOM 278 C TYR A 17 7.138 3.009 0.912 1.00 0.00 C ATOM 279 O TYR A 17 7.098 1.796 1.010 1.00 0.00 O ATOM 280 CB TYR A 17 8.396 3.594 -1.118 1.00 0.00 C ATOM 281 CG TYR A 17 9.679 4.105 -1.721 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.880 3.417 -1.518 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.656 5.255 -2.512 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.058 3.886 -2.102 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.833 5.723 -3.099 1.00 0.00 C ATOM 286 CZ TYR A 17 12.037 5.041 -2.893 1.00 0.00 C ATOM 287 OH TYR A 17 13.201 5.504 -3.472 1.00 0.00 O ATOM 0 H TYR A 17 9.591 1.944 0.514 1.00 0.00 H new ATOM 0 HA TYR A 17 8.436 4.724 0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.246 2.555 -1.413 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.557 4.163 -1.517 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.896 2.524 -0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.727 5.783 -2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.986 3.357 -1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.814 6.612 -3.712 1.00 0.00 H new ATOM 0 HH TYR A 17 12.982 6.157 -4.169 1.00 0.00 H new ATOM 297 N ARG A 18 6.097 3.733 1.195 1.00 0.00 N ATOM 298 CA ARG A 18 4.863 3.042 1.637 1.00 0.00 C ATOM 299 C ARG A 18 3.928 2.945 0.446 1.00 0.00 C ATOM 300 O ARG A 18 4.001 3.735 -0.475 1.00 0.00 O ATOM 301 CB ARG A 18 4.250 3.892 2.749 1.00 0.00 C ATOM 302 CG ARG A 18 4.040 3.037 4.001 1.00 0.00 C ATOM 303 CD ARG A 18 3.232 3.831 5.031 1.00 0.00 C ATOM 304 NE ARG A 18 4.210 4.174 6.104 1.00 0.00 N ATOM 305 CZ ARG A 18 3.834 4.838 7.172 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.587 5.207 7.332 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.713 5.134 8.089 1.00 0.00 N ATOM 0 H ARG A 18 6.046 4.750 1.141 1.00 0.00 H new ATOM 0 HA ARG A 18 5.057 2.036 2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.904 4.734 2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.298 4.308 2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.516 2.117 3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.003 2.748 4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.801 4.729 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.405 3.240 5.425 1.00 0.00 H new ATOM 0 HE ARG A 18 5.184 3.889 6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.892 4.979 6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.311 5.722 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.686 4.850 7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.428 5.650 8.921 1.00 0.00 H new ATOM 321 N ILE A 19 3.035 2.014 0.462 1.00 0.00 N ATOM 322 CA ILE A 19 2.080 1.900 -0.659 1.00 0.00 C ATOM 323 C ILE A 19 0.838 2.592 -0.145 1.00 0.00 C ATOM 324 O ILE A 19 -0.077 1.994 0.385 1.00 0.00 O ATOM 325 CB ILE A 19 1.873 0.402 -0.928 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.116 -0.407 -0.535 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.657 0.180 -2.417 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.327 0.167 -1.273 1.00 0.00 C ATOM 0 H ILE A 19 2.923 1.323 1.204 1.00 0.00 H new ATOM 0 HA ILE A 19 2.396 2.349 -1.601 1.00 0.00 H new ATOM 0 HB ILE A 19 1.013 0.079 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.273 -0.360 0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.980 -1.458 -0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.510 -0.883 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.776 0.733 -2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.530 0.531 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.219 -0.398 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.164 0.097 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.462 1.212 -0.994 1.00 0.00 H new ATOM 340 N VAL A 20 0.890 3.887 -0.207 1.00 0.00 N ATOM 341 CA VAL A 20 -0.173 4.732 0.363 1.00 0.00 C ATOM 342 C VAL A 20 -1.163 5.181 -0.716 1.00 0.00 C ATOM 343 O VAL A 20 -0.861 5.191 -1.891 1.00 0.00 O ATOM 344 CB VAL A 20 0.653 5.886 0.978 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.568 7.167 0.149 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.183 6.162 2.400 1.00 0.00 C ATOM 0 H VAL A 20 1.652 4.406 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.815 4.241 1.094 1.00 0.00 H new ATOM 0 HB VAL A 20 1.696 5.569 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.164 7.947 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.949 6.977 -0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.471 7.492 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.770 6.976 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.870 6.442 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.313 5.266 3.006 1.00 0.00 H new ATOM 356 N VAL A 21 -2.356 5.513 -0.311 1.00 0.00 N ATOM 357 CA VAL A 21 -3.402 5.918 -1.293 1.00 0.00 C ATOM 358 C VAL A 21 -3.625 7.430 -1.266 1.00 0.00 C ATOM 359 O VAL A 21 -4.092 7.982 -0.291 1.00 0.00 O ATOM 360 CB VAL A 21 -4.688 5.192 -0.857 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.502 4.841 -2.093 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.375 3.896 -0.108 1.00 0.00 C ATOM 0 H VAL A 21 -2.654 5.522 0.664 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.106 5.657 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.241 5.857 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.415 4.326 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.760 5.754 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.916 4.191 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.306 3.411 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.806 3.229 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.789 4.123 0.783 1.00 0.00 H new ATOM 372 N THR A 22 -3.310 8.098 -2.338 1.00 0.00 N ATOM 373 CA THR A 22 -3.516 9.574 -2.383 1.00 0.00 C ATOM 374 C THR A 22 -4.169 9.972 -3.707 1.00 0.00 C ATOM 375 O THR A 22 -4.533 9.133 -4.508 1.00 0.00 O ATOM 376 CB THR A 22 -2.115 10.192 -2.271 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.185 11.572 -2.598 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.147 9.490 -3.231 1.00 0.00 C ATOM 0 H THR A 22 -2.919 7.688 -3.186 1.00 0.00 H new ATOM 0 HA THR A 22 -4.171 9.917 -1.582 1.00 0.00 H new ATOM 0 HB THR A 22 -1.752 10.069 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.916 12.106 -1.822 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.157 9.938 -3.142 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.090 8.431 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.505 9.602 -4.255 1.00 0.00 H new ATOM 386 N ASP A 23 -4.321 11.245 -3.943 1.00 0.00 N ATOM 387 CA ASP A 23 -4.950 11.696 -5.218 1.00 0.00 C ATOM 388 C ASP A 23 -3.929 12.448 -6.073 1.00 0.00 C ATOM 389 O ASP A 23 -2.774 12.569 -5.718 1.00 0.00 O ATOM 390 CB ASP A 23 -6.088 12.626 -4.793 1.00 0.00 C ATOM 391 CG ASP A 23 -5.515 13.831 -4.045 1.00 0.00 C ATOM 392 OD1 ASP A 23 -4.846 14.632 -4.676 1.00 0.00 O ATOM 393 OD2 ASP A 23 -5.758 13.934 -2.854 1.00 0.00 O ATOM 0 H ASP A 23 -4.038 11.993 -3.310 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.312 10.861 -5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.644 12.960 -5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.790 12.090 -4.155 1.00 0.00 H new ATOM 398 N ALA A 24 -4.346 12.956 -7.199 1.00 0.00 N ATOM 399 CA ALA A 24 -3.400 13.701 -8.078 1.00 0.00 C ATOM 400 C ALA A 24 -3.685 15.206 -8.012 1.00 0.00 C ATOM 401 O ALA A 24 -2.883 16.015 -8.433 1.00 0.00 O ATOM 402 CB ALA A 24 -3.668 13.167 -9.485 1.00 0.00 C ATOM 0 H ALA A 24 -5.301 12.888 -7.549 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.361 13.563 -7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.009 13.667 -10.195 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.480 12.094 -9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.706 13.359 -9.756 1.00 0.00 H new ATOM 408 N ARG A 25 -4.822 15.588 -7.493 1.00 0.00 N ATOM 409 CA ARG A 25 -5.152 17.038 -7.409 1.00 0.00 C ATOM 410 C ARG A 25 -4.049 17.794 -6.662 1.00 0.00 C ATOM 411 O ARG A 25 -3.574 18.818 -7.114 1.00 0.00 O ATOM 412 CB ARG A 25 -6.472 17.100 -6.639 1.00 0.00 C ATOM 413 CG ARG A 25 -7.622 16.703 -7.569 1.00 0.00 C ATOM 414 CD ARG A 25 -8.820 17.626 -7.330 1.00 0.00 C ATOM 415 NE ARG A 25 -9.785 17.291 -8.418 1.00 0.00 N ATOM 416 CZ ARG A 25 -11.045 17.650 -8.334 1.00 0.00 C ATOM 417 NH1 ARG A 25 -11.485 18.326 -7.302 1.00 0.00 N ATOM 418 NH2 ARG A 25 -11.871 17.331 -9.293 1.00 0.00 N ATOM 0 H ARG A 25 -5.535 14.958 -7.124 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.235 17.500 -8.393 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.436 16.430 -5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.633 18.106 -6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.301 16.769 -8.609 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.907 15.667 -7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.259 17.457 -6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.526 18.675 -7.372 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.462 16.777 -9.237 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.846 18.581 -6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.467 18.598 -7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.536 16.806 -10.101 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.851 17.607 -9.234 1.00 0.00 H new ATOM 432 N ARG A 26 -3.630 17.301 -5.525 1.00 0.00 N ATOM 433 CA ARG A 26 -2.551 18.001 -4.765 1.00 0.00 C ATOM 434 C ARG A 26 -1.344 18.232 -5.678 1.00 0.00 C ATOM 435 O ARG A 26 -1.190 17.576 -6.690 1.00 0.00 O ATOM 436 CB ARG A 26 -2.187 17.057 -3.616 1.00 0.00 C ATOM 437 CG ARG A 26 -3.390 16.892 -2.682 1.00 0.00 C ATOM 438 CD ARG A 26 -3.596 18.176 -1.875 1.00 0.00 C ATOM 439 NE ARG A 26 -4.926 18.008 -1.222 1.00 0.00 N ATOM 440 CZ ARG A 26 -5.570 19.040 -0.729 1.00 0.00 C ATOM 441 NH1 ARG A 26 -5.054 20.243 -0.780 1.00 0.00 N ATOM 442 NH2 ARG A 26 -6.738 18.863 -0.176 1.00 0.00 N ATOM 0 H ARG A 26 -3.986 16.449 -5.092 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.868 18.976 -4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.886 16.087 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.336 17.454 -3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.285 16.668 -3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.227 16.050 -2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.806 18.309 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.580 19.055 -2.520 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.341 17.078 -1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.139 20.388 -1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.567 21.035 -0.392 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.144 17.928 -0.129 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.246 19.659 0.210 1.00 0.00 H new ATOM 456 N LYS A 27 -0.489 19.156 -5.341 1.00 0.00 N ATOM 457 CA LYS A 27 0.696 19.412 -6.210 1.00 0.00 C ATOM 458 C LYS A 27 1.966 19.563 -5.368 1.00 0.00 C ATOM 459 O LYS A 27 3.022 19.090 -5.739 1.00 0.00 O ATOM 460 CB LYS A 27 0.378 20.712 -6.956 1.00 0.00 C ATOM 461 CG LYS A 27 0.180 21.857 -5.960 1.00 0.00 C ATOM 462 CD LYS A 27 -0.695 22.940 -6.597 1.00 0.00 C ATOM 463 CE LYS A 27 0.034 24.284 -6.552 1.00 0.00 C ATOM 464 NZ LYS A 27 -0.308 24.862 -5.223 1.00 0.00 N ATOM 0 H LYS A 27 -0.557 19.742 -4.509 1.00 0.00 H new ATOM 0 HA LYS A 27 0.880 18.586 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.189 20.954 -7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.522 20.584 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.289 21.484 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.145 22.275 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.925 22.675 -7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.645 23.012 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.111 24.153 -6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.291 24.937 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.156 25.787 -5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.339 24.981 -5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.020 24.222 -4.471 1.00 0.00 H new ATOM 478 N ARG A 28 1.881 20.211 -4.239 1.00 0.00 N ATOM 479 CA ARG A 28 3.096 20.376 -3.390 1.00 0.00 C ATOM 480 C ARG A 28 2.957 19.567 -2.098 1.00 0.00 C ATOM 481 O ARG A 28 3.918 19.033 -1.584 1.00 0.00 O ATOM 482 CB ARG A 28 3.179 21.871 -3.085 1.00 0.00 C ATOM 483 CG ARG A 28 4.649 22.284 -2.979 1.00 0.00 C ATOM 484 CD ARG A 28 4.746 23.738 -2.511 1.00 0.00 C ATOM 485 NE ARG A 28 5.631 24.403 -3.512 1.00 0.00 N ATOM 486 CZ ARG A 28 6.251 25.525 -3.226 1.00 0.00 C ATOM 487 NH1 ARG A 28 6.111 26.093 -2.054 1.00 0.00 N ATOM 488 NH2 ARG A 28 7.015 26.082 -4.125 1.00 0.00 N ATOM 0 H ARG A 28 1.029 20.631 -3.869 1.00 0.00 H new ATOM 0 HA ARG A 28 3.995 20.018 -3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.684 22.442 -3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.659 22.093 -2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.170 21.631 -2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.139 22.170 -3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.764 24.209 -2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.166 23.803 -1.507 1.00 0.00 H new ATOM 0 HE ARG A 28 5.756 23.980 -4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.513 25.664 -1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.600 26.964 -1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.127 25.646 -5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.501 26.953 -3.912 1.00 0.00 H new ATOM 502 N ASP A 29 1.768 19.471 -1.570 1.00 0.00 N ATOM 503 CA ASP A 29 1.574 18.693 -0.313 1.00 0.00 C ATOM 504 C ASP A 29 1.851 17.210 -0.568 1.00 0.00 C ATOM 505 O ASP A 29 2.809 16.652 -0.070 1.00 0.00 O ATOM 506 CB ASP A 29 0.108 18.909 0.064 1.00 0.00 C ATOM 507 CG ASP A 29 0.013 19.986 1.146 1.00 0.00 C ATOM 508 OD1 ASP A 29 0.939 20.774 1.252 1.00 0.00 O ATOM 509 OD2 ASP A 29 -0.982 20.004 1.850 1.00 0.00 O ATOM 0 H ASP A 29 0.924 19.896 -1.953 1.00 0.00 H new ATOM 0 HA ASP A 29 2.248 19.012 0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.464 19.209 -0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.327 17.977 0.425 1.00 0.00 H new ATOM 514 N GLY A 30 1.021 16.568 -1.345 1.00 0.00 N ATOM 515 CA GLY A 30 1.239 15.123 -1.637 1.00 0.00 C ATOM 516 C GLY A 30 0.804 14.280 -0.437 1.00 0.00 C ATOM 517 O GLY A 30 1.535 13.434 0.037 1.00 0.00 O ATOM 0 H GLY A 30 0.202 16.982 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.673 14.832 -2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.291 14.942 -1.858 1.00 0.00 H new ATOM 521 N LYS A 31 -0.385 14.499 0.055 1.00 0.00 N ATOM 522 CA LYS A 31 -0.865 13.703 1.222 1.00 0.00 C ATOM 523 C LYS A 31 -1.752 12.550 0.740 1.00 0.00 C ATOM 524 O LYS A 31 -2.334 12.605 -0.325 1.00 0.00 O ATOM 525 CB LYS A 31 -1.672 14.687 2.073 1.00 0.00 C ATOM 526 CG LYS A 31 -2.869 15.203 1.272 1.00 0.00 C ATOM 527 CD LYS A 31 -3.857 15.889 2.217 1.00 0.00 C ATOM 528 CE LYS A 31 -5.028 14.947 2.502 1.00 0.00 C ATOM 529 NZ LYS A 31 -5.131 14.901 3.987 1.00 0.00 N ATOM 0 H LYS A 31 -1.044 15.193 -0.299 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.045 13.260 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.016 14.197 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.040 15.521 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.534 15.904 0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.357 14.377 0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.359 16.159 3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.221 16.814 1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.950 15.316 2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.847 13.955 2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.914 14.274 4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.241 14.539 4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.310 15.858 4.352 1.00 0.00 H new ATOM 543 N TYR A 32 -1.855 11.503 1.514 1.00 0.00 N ATOM 544 CA TYR A 32 -2.704 10.348 1.092 1.00 0.00 C ATOM 545 C TYR A 32 -3.865 10.152 2.064 1.00 0.00 C ATOM 546 O TYR A 32 -3.769 10.453 3.237 1.00 0.00 O ATOM 547 CB TYR A 32 -1.787 9.119 1.118 1.00 0.00 C ATOM 548 CG TYR A 32 -1.044 9.056 2.433 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.629 8.424 3.539 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.226 9.631 2.548 1.00 0.00 C ATOM 551 CE1 TYR A 32 -0.941 8.368 4.757 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.914 9.574 3.767 1.00 0.00 C ATOM 553 CZ TYR A 32 0.330 8.943 4.871 1.00 0.00 C ATOM 554 OH TYR A 32 1.008 8.887 6.071 1.00 0.00 O ATOM 0 H TYR A 32 -1.391 11.396 2.416 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.132 10.514 0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.376 8.212 0.980 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.078 9.167 0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.610 7.981 3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.676 10.119 1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.391 7.881 5.609 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.895 10.017 3.855 1.00 0.00 H new ATOM 0 HH TYR A 32 1.876 9.333 5.978 1.00 0.00 H new ATOM 564 N ILE A 33 -4.957 9.634 1.580 1.00 0.00 N ATOM 565 CA ILE A 33 -6.126 9.400 2.466 1.00 0.00 C ATOM 566 C ILE A 33 -5.712 8.487 3.627 1.00 0.00 C ATOM 567 O ILE A 33 -5.778 8.867 4.779 1.00 0.00 O ATOM 568 CB ILE A 33 -7.161 8.720 1.560 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.736 9.752 0.587 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.295 8.136 2.401 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.049 9.613 -0.773 1.00 0.00 C ATOM 0 H ILE A 33 -5.090 9.362 0.606 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.522 10.313 2.912 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.676 7.916 1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.811 9.606 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.589 10.758 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.023 7.656 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.891 7.400 3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.781 8.935 2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.459 10.348 -1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.978 9.781 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.219 8.611 -1.166 1.00 0.00 H new ATOM 583 N GLU A 34 -5.282 7.291 3.329 1.00 0.00 N ATOM 584 CA GLU A 34 -4.860 6.357 4.413 1.00 0.00 C ATOM 585 C GLU A 34 -3.719 5.460 3.922 1.00 0.00 C ATOM 586 O GLU A 34 -3.566 5.228 2.739 1.00 0.00 O ATOM 587 CB GLU A 34 -6.103 5.520 4.719 1.00 0.00 C ATOM 588 CG GLU A 34 -6.961 6.233 5.768 1.00 0.00 C ATOM 589 CD GLU A 34 -6.977 5.415 7.060 1.00 0.00 C ATOM 590 OE1 GLU A 34 -5.953 5.367 7.721 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.014 4.849 7.368 1.00 0.00 O ATOM 0 H GLU A 34 -5.205 6.920 2.382 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.495 6.884 5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.681 5.363 3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.809 4.536 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.563 7.229 5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.977 6.362 5.395 1.00 0.00 H new ATOM 598 N LYS A 35 -2.919 4.948 4.819 1.00 0.00 N ATOM 599 CA LYS A 35 -1.794 4.062 4.395 1.00 0.00 C ATOM 600 C LYS A 35 -2.267 2.606 4.358 1.00 0.00 C ATOM 601 O LYS A 35 -2.681 2.053 5.358 1.00 0.00 O ATOM 602 CB LYS A 35 -0.704 4.258 5.454 1.00 0.00 C ATOM 603 CG LYS A 35 -1.183 3.727 6.809 1.00 0.00 C ATOM 604 CD LYS A 35 -0.615 4.600 7.931 1.00 0.00 C ATOM 605 CE LYS A 35 -1.450 4.408 9.200 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.088 3.052 9.698 1.00 0.00 N ATOM 0 H LYS A 35 -2.995 5.104 5.824 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.426 4.303 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.205 3.738 5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.453 5.316 5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.272 3.730 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.862 2.694 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.424 4.333 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.625 5.648 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.223 5.174 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.516 4.478 8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.486 2.914 10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.472 2.332 9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.053 2.962 9.740 1.00 0.00 H new ATOM 620 N ILE A 36 -2.226 1.984 3.210 1.00 0.00 N ATOM 621 CA ILE A 36 -2.695 0.567 3.119 1.00 0.00 C ATOM 622 C ILE A 36 -1.533 -0.394 2.938 1.00 0.00 C ATOM 623 O ILE A 36 -1.582 -1.524 3.385 1.00 0.00 O ATOM 624 CB ILE A 36 -3.612 0.529 1.900 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.860 1.071 0.674 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.843 1.390 2.181 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.647 0.778 -0.597 1.00 0.00 C ATOM 0 H ILE A 36 -1.891 2.390 2.336 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.204 0.258 4.032 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.922 -0.496 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.708 2.145 0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.872 0.614 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.506 1.370 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.370 0.998 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.532 2.416 2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.104 1.167 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.776 -0.299 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.625 1.256 -0.538 1.00 0.00 H new ATOM 639 N GLY A 37 -0.500 0.021 2.273 1.00 0.00 N ATOM 640 CA GLY A 37 0.630 -0.906 2.062 1.00 0.00 C ATOM 641 C GLY A 37 1.943 -0.292 2.518 1.00 0.00 C ATOM 642 O GLY A 37 2.049 0.896 2.744 1.00 0.00 O ATOM 0 H GLY A 37 -0.391 0.952 1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.450 -1.832 2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.696 -1.167 1.006 1.00 0.00 H new ATOM 646 N TYR A 38 2.952 -1.108 2.615 1.00 0.00 N ATOM 647 CA TYR A 38 4.301 -0.618 3.013 1.00 0.00 C ATOM 648 C TYR A 38 5.351 -1.315 2.138 1.00 0.00 C ATOM 649 O TYR A 38 5.248 -2.495 1.867 1.00 0.00 O ATOM 650 CB TYR A 38 4.459 -1.017 4.485 1.00 0.00 C ATOM 651 CG TYR A 38 5.892 -0.812 4.923 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.862 -1.772 4.609 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.250 0.335 5.643 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.189 -1.585 5.013 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.578 0.521 6.046 1.00 0.00 C ATOM 656 CZ TYR A 38 8.547 -0.438 5.731 1.00 0.00 C ATOM 657 OH TYR A 38 9.855 -0.254 6.129 1.00 0.00 O ATOM 0 H TYR A 38 2.899 -2.110 2.433 1.00 0.00 H new ATOM 0 HA TYR A 38 4.423 0.458 2.887 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.791 -0.421 5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.174 -2.060 4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.586 -2.657 4.055 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.502 1.075 5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.937 -2.326 4.771 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.855 1.406 6.601 1.00 0.00 H new ATOM 0 HH TYR A 38 9.933 0.593 6.616 1.00 0.00 H new ATOM 667 N TYR A 39 6.360 -0.613 1.692 1.00 0.00 N ATOM 668 CA TYR A 39 7.391 -1.281 0.843 1.00 0.00 C ATOM 669 C TYR A 39 8.793 -0.835 1.284 1.00 0.00 C ATOM 670 O TYR A 39 9.090 0.343 1.315 1.00 0.00 O ATOM 671 CB TYR A 39 7.108 -0.824 -0.589 1.00 0.00 C ATOM 672 CG TYR A 39 8.218 -1.277 -1.511 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.472 -2.642 -1.675 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.985 -0.333 -2.205 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.495 -3.067 -2.532 1.00 0.00 C ATOM 676 CE2 TYR A 39 10.007 -0.758 -3.064 1.00 0.00 C ATOM 677 CZ TYR A 39 10.262 -2.125 -3.227 1.00 0.00 C ATOM 678 OH TYR A 39 11.270 -2.543 -4.072 1.00 0.00 O ATOM 0 H TYR A 39 6.514 0.379 1.875 1.00 0.00 H new ATOM 0 HA TYR A 39 7.352 -2.367 0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.155 -1.232 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.019 0.262 -0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.879 -3.369 -1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.789 0.721 -2.078 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.692 -4.122 -2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.598 -0.031 -3.601 1.00 0.00 H new ATOM 0 HH TYR A 39 11.703 -1.762 -4.476 1.00 0.00 H new ATOM 688 N ASP A 40 9.659 -1.751 1.624 1.00 0.00 N ATOM 689 CA ASP A 40 11.031 -1.341 2.057 1.00 0.00 C ATOM 690 C ASP A 40 12.089 -2.300 1.493 1.00 0.00 C ATOM 691 O ASP A 40 12.499 -3.227 2.163 1.00 0.00 O ATOM 692 CB ASP A 40 11.000 -1.415 3.585 1.00 0.00 C ATOM 693 CG ASP A 40 12.354 -0.981 4.152 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.160 -0.469 3.390 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.564 -1.169 5.338 1.00 0.00 O ATOM 0 H ASP A 40 9.482 -2.755 1.622 1.00 0.00 H new ATOM 0 HA ASP A 40 11.292 -0.346 1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.210 -0.773 3.974 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.770 -2.431 3.905 1.00 0.00 H new ATOM 700 N PRO A 41 12.507 -2.044 0.279 1.00 0.00 N ATOM 701 CA PRO A 41 13.531 -2.905 -0.363 1.00 0.00 C ATOM 702 C PRO A 41 14.901 -2.678 0.282 1.00 0.00 C ATOM 703 O PRO A 41 15.747 -1.989 -0.253 1.00 0.00 O ATOM 704 CB PRO A 41 13.526 -2.445 -1.820 1.00 0.00 C ATOM 705 CG PRO A 41 13.011 -1.043 -1.782 1.00 0.00 C ATOM 706 CD PRO A 41 12.080 -0.945 -0.600 1.00 0.00 C ATOM 0 HA PRO A 41 13.323 -3.970 -0.260 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.527 -2.486 -2.250 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.889 -3.083 -2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.833 -0.333 -1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.487 -0.800 -2.706 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.166 0.021 -0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.038 -1.056 -0.902 1.00 0.00 H new ATOM 714 N ARG A 42 15.124 -3.253 1.434 1.00 0.00 N ATOM 715 CA ARG A 42 16.430 -3.072 2.119 1.00 0.00 C ATOM 716 C ARG A 42 17.414 -4.162 1.683 1.00 0.00 C ATOM 717 O ARG A 42 17.023 -5.236 1.270 1.00 0.00 O ATOM 718 CB ARG A 42 16.116 -3.199 3.611 1.00 0.00 C ATOM 719 CG ARG A 42 16.039 -1.807 4.238 1.00 0.00 C ATOM 720 CD ARG A 42 15.715 -1.935 5.728 1.00 0.00 C ATOM 721 NE ARG A 42 16.888 -1.334 6.428 1.00 0.00 N ATOM 722 CZ ARG A 42 16.821 -1.013 7.699 1.00 0.00 C ATOM 723 NH1 ARG A 42 15.725 -1.212 8.388 1.00 0.00 N ATOM 724 NH2 ARG A 42 17.863 -0.488 8.283 1.00 0.00 N ATOM 0 H ARG A 42 14.454 -3.841 1.929 1.00 0.00 H new ATOM 0 HA ARG A 42 16.892 -2.114 1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.172 -3.725 3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.886 -3.790 4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 42 16.986 -1.284 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.274 -1.213 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 42 14.793 -1.410 5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.576 -2.978 6.014 1.00 0.00 H new ATOM 0 HE ARG A 42 17.753 -1.171 5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 42 14.907 -1.622 7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 42 15.690 -0.957 9.375 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.720 -0.330 7.752 1.00 0.00 H new ATOM 0 HH22 ARG A 42 17.821 -0.235 9.270 1.00 0.00 H new ATOM 738 N LYS A 43 18.687 -3.896 1.777 1.00 0.00 N ATOM 739 CA LYS A 43 19.694 -4.918 1.371 1.00 0.00 C ATOM 740 C LYS A 43 20.015 -5.837 2.553 1.00 0.00 C ATOM 741 O LYS A 43 21.162 -6.056 2.888 1.00 0.00 O ATOM 742 CB LYS A 43 20.931 -4.116 0.967 1.00 0.00 C ATOM 743 CG LYS A 43 21.858 -4.992 0.120 1.00 0.00 C ATOM 744 CD LYS A 43 23.301 -4.504 0.268 1.00 0.00 C ATOM 745 CE LYS A 43 23.518 -3.270 -0.612 1.00 0.00 C ATOM 746 NZ LYS A 43 24.756 -3.565 -1.385 1.00 0.00 N ATOM 0 H LYS A 43 19.074 -3.016 2.117 1.00 0.00 H new ATOM 0 HA LYS A 43 19.337 -5.552 0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.635 -3.231 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 43 21.456 -3.767 1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 43 21.781 -6.032 0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 43 21.556 -4.953 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 43 23.508 -4.261 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 43 23.994 -5.295 -0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 43 22.669 -3.103 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 43 23.634 -2.370 -0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 24.972 -2.765 -2.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 25.548 -3.713 -0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 24.613 -4.423 -1.955 1.00 0.00 H new ATOM 760 N THR A 44 19.010 -6.375 3.191 1.00 0.00 N ATOM 761 CA THR A 44 19.263 -7.276 4.354 1.00 0.00 C ATOM 762 C THR A 44 18.289 -8.458 4.337 1.00 0.00 C ATOM 763 O THR A 44 18.664 -9.585 4.596 1.00 0.00 O ATOM 764 CB THR A 44 19.024 -6.403 5.587 1.00 0.00 C ATOM 765 OG1 THR A 44 17.805 -5.692 5.433 1.00 0.00 O ATOM 766 CG2 THR A 44 20.179 -5.414 5.748 1.00 0.00 C ATOM 0 H THR A 44 18.027 -6.230 2.958 1.00 0.00 H new ATOM 0 HA THR A 44 20.268 -7.697 4.337 1.00 0.00 H new ATOM 0 HB THR A 44 18.966 -7.035 6.473 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.650 -5.134 6.223 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.006 -4.793 6.627 1.00 0.00 H new ATOM 0 HG22 THR A 44 21.113 -5.962 5.869 1.00 0.00 H new ATOM 0 HG23 THR A 44 20.242 -4.781 4.863 1.00 0.00 H new ATOM 774 N THR A 45 17.042 -8.213 4.040 1.00 0.00 N ATOM 775 CA THR A 45 16.052 -9.328 4.014 1.00 0.00 C ATOM 776 C THR A 45 15.044 -9.122 2.874 1.00 0.00 C ATOM 777 O THR A 45 14.661 -8.005 2.586 1.00 0.00 O ATOM 778 CB THR A 45 15.347 -9.262 5.370 1.00 0.00 C ATOM 779 OG1 THR A 45 14.952 -7.922 5.631 1.00 0.00 O ATOM 780 CG2 THR A 45 16.297 -9.739 6.469 1.00 0.00 C ATOM 0 H THR A 45 16.666 -7.292 3.815 1.00 0.00 H new ATOM 0 HA THR A 45 16.526 -10.295 3.845 1.00 0.00 H new ATOM 0 HB THR A 45 14.467 -9.905 5.352 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.499 -7.878 6.499 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.791 -9.691 7.433 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.598 -10.767 6.269 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.180 -9.100 6.490 1.00 0.00 H new ATOM 788 N PRO A 46 14.642 -10.209 2.261 1.00 0.00 N ATOM 789 CA PRO A 46 13.665 -10.131 1.148 1.00 0.00 C ATOM 790 C PRO A 46 12.262 -9.835 1.690 1.00 0.00 C ATOM 791 O PRO A 46 11.390 -9.390 0.971 1.00 0.00 O ATOM 792 CB PRO A 46 13.720 -11.521 0.520 1.00 0.00 C ATOM 793 CG PRO A 46 14.193 -12.424 1.614 1.00 0.00 C ATOM 794 CD PRO A 46 15.049 -11.595 2.539 1.00 0.00 C ATOM 0 HA PRO A 46 13.892 -9.338 0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.740 -11.827 0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.401 -11.543 -0.331 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.347 -12.851 2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.764 -13.257 1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.878 -11.859 3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.110 -11.746 2.342 1.00 0.00 H new ATOM 802 N ASP A 47 12.038 -10.083 2.952 1.00 0.00 N ATOM 803 CA ASP A 47 10.692 -9.818 3.538 1.00 0.00 C ATOM 804 C ASP A 47 10.509 -8.320 3.791 1.00 0.00 C ATOM 805 O ASP A 47 10.700 -7.837 4.890 1.00 0.00 O ATOM 806 CB ASP A 47 10.676 -10.592 4.859 1.00 0.00 C ATOM 807 CG ASP A 47 10.994 -12.065 4.593 1.00 0.00 C ATOM 808 OD1 ASP A 47 12.168 -12.390 4.509 1.00 0.00 O ATOM 809 OD2 ASP A 47 10.061 -12.842 4.481 1.00 0.00 O ATOM 0 H ASP A 47 12.728 -10.458 3.603 1.00 0.00 H new ATOM 0 HA ASP A 47 9.885 -10.127 2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.407 -10.170 5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.699 -10.500 5.334 1.00 0.00 H new ATOM 814 N TRP A 48 10.143 -7.580 2.781 1.00 0.00 N ATOM 815 CA TRP A 48 9.950 -6.107 2.963 1.00 0.00 C ATOM 816 C TRP A 48 8.533 -5.685 2.561 1.00 0.00 C ATOM 817 O TRP A 48 8.108 -4.581 2.836 1.00 0.00 O ATOM 818 CB TRP A 48 10.984 -5.423 2.055 1.00 0.00 C ATOM 819 CG TRP A 48 11.066 -6.108 0.721 1.00 0.00 C ATOM 820 CD1 TRP A 48 12.110 -6.860 0.304 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.096 -6.113 -0.367 1.00 0.00 C ATOM 822 NE1 TRP A 48 11.844 -7.327 -0.972 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.615 -6.895 -1.428 1.00 0.00 C ATOM 824 CE3 TRP A 48 8.830 -5.524 -0.537 1.00 0.00 C ATOM 825 CZ2 TRP A 48 9.903 -7.084 -2.614 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.112 -5.713 -1.729 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.647 -6.492 -2.764 1.00 0.00 C ATOM 0 H TRP A 48 9.969 -7.927 1.838 1.00 0.00 H new ATOM 0 HA TRP A 48 10.082 -5.825 4.007 1.00 0.00 H new ATOM 0 HB2 TRP A 48 10.714 -4.376 1.914 1.00 0.00 H new ATOM 0 HB3 TRP A 48 11.962 -5.438 2.536 1.00 0.00 H new ATOM 0 HD1 TRP A 48 13.005 -7.063 0.873 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.479 -7.918 -1.509 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.407 -4.923 0.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.320 -7.684 -3.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.141 -5.255 -1.849 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.088 -6.634 -3.677 1.00 0.00 H new ATOM 838 N LEU A 49 7.801 -6.544 1.910 1.00 0.00 N ATOM 839 CA LEU A 49 6.421 -6.170 1.491 1.00 0.00 C ATOM 840 C LEU A 49 5.441 -6.341 2.655 1.00 0.00 C ATOM 841 O LEU A 49 5.238 -7.428 3.158 1.00 0.00 O ATOM 842 CB LEU A 49 6.077 -7.147 0.370 1.00 0.00 C ATOM 843 CG LEU A 49 4.879 -6.622 -0.423 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.988 -7.107 -1.865 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.584 -7.150 0.199 1.00 0.00 C ATOM 0 H LEU A 49 8.096 -7.485 1.650 1.00 0.00 H new ATOM 0 HA LEU A 49 6.358 -5.129 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.935 -7.274 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.848 -8.128 0.787 1.00 0.00 H new ATOM 0 HG LEU A 49 4.870 -5.532 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.138 -6.738 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.913 -6.734 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.992 -8.197 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.730 -6.776 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.586 -8.240 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.512 -6.811 1.232 1.00 0.00 H new ATOM 857 N LYS A 50 4.822 -5.276 3.073 1.00 0.00 N ATOM 858 CA LYS A 50 3.840 -5.369 4.191 1.00 0.00 C ATOM 859 C LYS A 50 2.571 -4.612 3.807 1.00 0.00 C ATOM 860 O LYS A 50 2.518 -3.401 3.888 1.00 0.00 O ATOM 861 CB LYS A 50 4.528 -4.702 5.382 1.00 0.00 C ATOM 862 CG LYS A 50 5.505 -5.688 6.023 1.00 0.00 C ATOM 863 CD LYS A 50 5.253 -5.756 7.531 1.00 0.00 C ATOM 864 CE LYS A 50 5.185 -7.220 7.974 1.00 0.00 C ATOM 865 NZ LYS A 50 4.317 -7.216 9.184 1.00 0.00 N ATOM 0 H LYS A 50 4.953 -4.340 2.689 1.00 0.00 H new ATOM 0 HA LYS A 50 3.554 -6.395 4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.059 -3.808 5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.785 -4.382 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.383 -6.676 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.531 -5.376 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.050 -5.240 8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.321 -5.247 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.766 -7.851 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.177 -7.610 8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.222 -8.186 9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.744 -6.613 9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.377 -6.846 8.936 1.00 0.00 H new ATOM 879 N VAL A 51 1.553 -5.303 3.368 1.00 0.00 N ATOM 880 CA VAL A 51 0.312 -4.588 2.965 1.00 0.00 C ATOM 881 C VAL A 51 -0.924 -5.172 3.645 1.00 0.00 C ATOM 882 O VAL A 51 -1.082 -6.369 3.775 1.00 0.00 O ATOM 883 CB VAL A 51 0.233 -4.753 1.425 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.219 -4.901 0.940 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.816 -3.515 0.759 1.00 0.00 C ATOM 0 H VAL A 51 1.528 -6.318 3.272 1.00 0.00 H new ATOM 0 HA VAL A 51 0.341 -3.540 3.264 1.00 0.00 H new ATOM 0 HB VAL A 51 0.790 -5.652 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.231 -5.014 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.669 -5.780 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.788 -4.014 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.763 -3.625 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.247 -2.636 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.856 -3.395 1.061 1.00 0.00 H new ATOM 895 N ASP A 52 -1.831 -4.315 4.003 1.00 0.00 N ATOM 896 CA ASP A 52 -3.103 -4.784 4.590 1.00 0.00 C ATOM 897 C ASP A 52 -4.042 -5.028 3.415 1.00 0.00 C ATOM 898 O ASP A 52 -4.966 -4.274 3.185 1.00 0.00 O ATOM 899 CB ASP A 52 -3.600 -3.629 5.460 1.00 0.00 C ATOM 900 CG ASP A 52 -4.443 -4.181 6.611 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.114 -5.248 7.102 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.404 -3.526 6.982 1.00 0.00 O ATOM 0 H ASP A 52 -1.743 -3.303 3.912 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.023 -5.693 5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.754 -3.066 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.192 -2.937 4.861 1.00 0.00 H new ATOM 907 N VAL A 53 -3.758 -6.054 2.640 1.00 0.00 N ATOM 908 CA VAL A 53 -4.571 -6.371 1.414 1.00 0.00 C ATOM 909 C VAL A 53 -6.057 -6.035 1.612 1.00 0.00 C ATOM 910 O VAL A 53 -6.731 -5.651 0.678 1.00 0.00 O ATOM 911 CB VAL A 53 -4.326 -7.876 1.110 1.00 0.00 C ATOM 912 CG1 VAL A 53 -4.160 -8.689 2.398 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.489 -8.463 0.298 1.00 0.00 C ATOM 0 H VAL A 53 -2.984 -6.696 2.808 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.265 -5.760 0.565 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.405 -7.939 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.990 -9.736 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.308 -8.308 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.063 -8.602 3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.297 -9.517 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.415 -8.365 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.583 -7.925 -0.645 1.00 0.00 H new ATOM 923 N GLU A 54 -6.569 -6.141 2.806 1.00 0.00 N ATOM 924 CA GLU A 54 -7.997 -5.784 3.011 1.00 0.00 C ATOM 925 C GLU A 54 -8.184 -4.296 2.716 1.00 0.00 C ATOM 926 O GLU A 54 -8.975 -3.913 1.876 1.00 0.00 O ATOM 927 CB GLU A 54 -8.294 -6.102 4.477 1.00 0.00 C ATOM 928 CG GLU A 54 -9.180 -7.347 4.560 1.00 0.00 C ATOM 929 CD GLU A 54 -9.797 -7.442 5.956 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.376 -6.463 6.395 1.00 0.00 O ATOM 931 OE2 GLU A 54 -9.681 -8.495 6.563 1.00 0.00 O ATOM 0 H GLU A 54 -6.068 -6.455 3.637 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.671 -6.334 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.363 -6.268 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.792 -5.256 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.966 -7.298 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.591 -8.240 4.349 1.00 0.00 H new ATOM 938 N ARG A 55 -7.447 -3.455 3.384 1.00 0.00 N ATOM 939 CA ARG A 55 -7.565 -2.001 3.126 1.00 0.00 C ATOM 940 C ARG A 55 -6.934 -1.680 1.769 1.00 0.00 C ATOM 941 O ARG A 55 -7.422 -0.857 1.024 1.00 0.00 O ATOM 942 CB ARG A 55 -6.795 -1.340 4.266 1.00 0.00 C ATOM 943 CG ARG A 55 -7.784 -0.837 5.320 1.00 0.00 C ATOM 944 CD ARG A 55 -7.656 0.679 5.449 1.00 0.00 C ATOM 945 NE ARG A 55 -6.223 0.906 5.786 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.812 0.914 7.033 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.628 0.635 8.019 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.560 1.176 7.293 1.00 0.00 N ATOM 0 H ARG A 55 -6.767 -3.716 4.098 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.596 -1.650 3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.101 -2.052 4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.199 -0.511 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.802 -1.105 5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.584 -1.313 6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.930 1.181 4.521 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.313 1.068 6.227 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.549 1.058 5.035 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.603 0.406 7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.289 0.647 8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.911 1.372 6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.231 1.185 8.258 1.00 0.00 H new ATOM 962 N ALA A 56 -5.871 -2.353 1.421 1.00 0.00 N ATOM 963 CA ALA A 56 -5.251 -2.109 0.100 1.00 0.00 C ATOM 964 C ALA A 56 -6.245 -2.565 -0.973 1.00 0.00 C ATOM 965 O ALA A 56 -6.190 -2.137 -2.112 1.00 0.00 O ATOM 966 CB ALA A 56 -3.958 -2.937 0.102 1.00 0.00 C ATOM 0 H ALA A 56 -5.411 -3.058 1.997 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.016 -1.064 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.441 -2.807 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.313 -2.603 0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.201 -3.990 0.242 1.00 0.00 H new ATOM 972 N ARG A 57 -7.187 -3.410 -0.605 1.00 0.00 N ATOM 973 CA ARG A 57 -8.202 -3.860 -1.587 1.00 0.00 C ATOM 974 C ARG A 57 -9.374 -2.867 -1.616 1.00 0.00 C ATOM 975 O ARG A 57 -10.095 -2.771 -2.589 1.00 0.00 O ATOM 976 CB ARG A 57 -8.666 -5.235 -1.101 1.00 0.00 C ATOM 977 CG ARG A 57 -9.836 -5.717 -1.964 1.00 0.00 C ATOM 978 CD ARG A 57 -9.943 -7.241 -1.880 1.00 0.00 C ATOM 979 NE ARG A 57 -11.341 -7.502 -1.431 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.691 -8.682 -0.975 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.827 -9.664 -0.914 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.919 -8.881 -0.582 1.00 0.00 N ATOM 0 H ARG A 57 -7.287 -3.799 0.332 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.801 -3.914 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.843 -5.948 -1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.971 -5.179 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.765 -5.258 -1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.688 -5.409 -2.999 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.745 -7.705 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.219 -7.650 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.033 -6.755 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.866 -9.518 -1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.115 -10.575 -0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.599 -8.122 -0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.199 -9.795 -0.226 1.00 0.00 H new ATOM 996 N TYR A 58 -9.550 -2.111 -0.560 1.00 0.00 N ATOM 997 CA TYR A 58 -10.647 -1.103 -0.520 1.00 0.00 C ATOM 998 C TYR A 58 -10.386 -0.102 -1.623 1.00 0.00 C ATOM 999 O TYR A 58 -11.248 0.290 -2.386 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.487 -0.429 0.850 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.151 0.937 0.879 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.365 1.139 0.217 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.543 2.001 1.565 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.978 2.398 0.239 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.156 3.259 1.588 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.373 3.458 0.925 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.976 4.698 0.950 1.00 0.00 O ATOM 0 H TYR A 58 -8.974 -2.152 0.281 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.645 -1.521 -0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.923 -1.063 1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.428 -0.325 1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.832 0.322 -0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.603 1.849 2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.917 2.551 -0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.690 4.077 2.118 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.425 5.319 1.470 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.173 0.313 -1.668 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.746 1.307 -2.667 1.00 0.00 C ATOM 1019 C TRP A 59 -8.846 0.716 -4.055 1.00 0.00 C ATOM 1020 O TRP A 59 -9.577 1.198 -4.895 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.319 1.625 -2.256 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.434 2.313 -0.951 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.995 1.859 0.241 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.112 3.552 -0.698 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.337 2.783 1.215 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.037 3.847 0.677 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.768 4.442 -1.545 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.608 5.004 1.200 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.347 5.606 -1.032 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.268 5.889 0.338 1.00 0.00 C ATOM 0 H TRP A 59 -8.435 -0.002 -1.038 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.359 2.207 -2.700 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.722 0.717 -2.171 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.829 2.260 -2.994 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.466 0.932 0.408 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.102 2.690 2.203 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.830 4.232 -2.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.543 5.216 2.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.857 6.290 -1.694 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.716 6.790 0.730 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.165 -0.357 -4.292 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.278 -1.008 -5.625 1.00 0.00 C ATOM 1043 C LEU A 60 -9.763 -1.267 -5.916 1.00 0.00 C ATOM 1044 O LEU A 60 -10.173 -1.384 -7.054 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.501 -2.318 -5.505 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.008 -2.014 -5.378 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.281 -3.243 -4.831 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.441 -1.656 -6.755 1.00 0.00 C ATOM 0 H LEU A 60 -7.538 -0.814 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.882 -0.399 -6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.844 -2.879 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.683 -2.943 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.865 -1.175 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.217 -3.026 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.684 -3.498 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.423 -4.083 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.377 -1.439 -6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.584 -2.494 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.958 -0.779 -7.145 1.00 0.00 H new ATOM 1060 N SER A 61 -10.575 -1.334 -4.883 1.00 0.00 N ATOM 1061 CA SER A 61 -12.029 -1.558 -5.090 1.00 0.00 C ATOM 1062 C SER A 61 -12.709 -0.246 -5.501 1.00 0.00 C ATOM 1063 O SER A 61 -13.778 -0.249 -6.078 1.00 0.00 O ATOM 1064 CB SER A 61 -12.564 -2.045 -3.743 1.00 0.00 C ATOM 1065 OG SER A 61 -12.555 -3.467 -3.721 1.00 0.00 O ATOM 0 H SER A 61 -10.285 -1.242 -3.909 1.00 0.00 H new ATOM 0 HA SER A 61 -12.224 -2.281 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.950 -1.653 -2.932 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.577 -1.674 -3.585 1.00 0.00 H new ATOM 0 HG SER A 61 -11.714 -3.783 -3.329 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.096 0.880 -5.221 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.714 2.172 -5.612 1.00 0.00 C ATOM 1073 C VAL A 62 -12.073 2.659 -6.912 1.00 0.00 C ATOM 1074 O VAL A 62 -11.916 3.841 -7.145 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.440 3.159 -4.451 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.740 2.501 -3.100 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -10.977 3.631 -4.459 1.00 0.00 C ATOM 0 H VAL A 62 -11.199 0.953 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.786 2.081 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.095 4.019 -4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.541 3.211 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.787 2.200 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.106 1.624 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.813 4.323 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.317 2.771 -4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.762 4.134 -5.402 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.695 1.740 -7.749 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.048 2.117 -9.034 1.00 0.00 C ATOM 1089 C GLY A 63 -9.694 2.760 -8.741 1.00 0.00 C ATOM 1090 O GLY A 63 -9.172 3.518 -9.535 1.00 0.00 O ATOM 0 H GLY A 63 -11.806 0.737 -7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.918 1.236 -9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.683 2.811 -9.585 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.115 2.465 -7.605 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.796 3.064 -7.272 1.00 0.00 C ATOM 1096 C ALA A 64 -6.758 2.635 -8.307 1.00 0.00 C ATOM 1097 O ALA A 64 -6.704 1.489 -8.708 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.442 2.516 -5.890 1.00 0.00 C ATOM 0 H ALA A 64 -9.500 1.837 -6.899 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.821 4.154 -7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.478 2.915 -5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.208 2.813 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.388 1.428 -5.933 1.00 0.00 H new ATOM 1104 N GLN A 65 -5.940 3.546 -8.747 1.00 0.00 N ATOM 1105 CA GLN A 65 -4.910 3.190 -9.761 1.00 0.00 C ATOM 1106 C GLN A 65 -3.545 3.006 -9.086 1.00 0.00 C ATOM 1107 O GLN A 65 -2.936 3.966 -8.656 1.00 0.00 O ATOM 1108 CB GLN A 65 -4.878 4.381 -10.719 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.077 3.889 -12.154 1.00 0.00 C ATOM 1110 CD GLN A 65 -4.132 4.648 -13.087 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -3.104 4.132 -13.480 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -4.436 5.862 -13.458 1.00 0.00 N ATOM 0 H GLN A 65 -5.939 4.522 -8.449 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.138 2.256 -10.275 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.660 5.093 -10.456 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.926 4.905 -10.632 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.882 2.818 -12.213 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.111 4.042 -12.463 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.299 6.295 -13.128 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.811 6.378 -14.078 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.101 1.775 -9.012 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.795 1.489 -8.391 1.00 0.00 C ATOM 1123 C PRO A 66 -0.676 1.699 -9.418 1.00 0.00 C ATOM 1124 O PRO A 66 -0.681 1.107 -10.479 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.899 0.022 -8.000 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.908 -0.572 -8.936 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.761 0.549 -9.480 1.00 0.00 C ATOM 0 HA PRO A 66 -1.567 2.133 -7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.935 -0.478 -8.093 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.215 -0.086 -6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.409 -1.099 -9.749 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.527 -1.303 -8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.812 0.517 -10.568 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.785 0.484 -9.111 1.00 0.00 H new ATOM 1135 N THR A 67 0.277 2.537 -9.119 1.00 0.00 N ATOM 1136 CA THR A 67 1.388 2.782 -10.088 1.00 0.00 C ATOM 1137 C THR A 67 1.983 1.452 -10.567 1.00 0.00 C ATOM 1138 O THR A 67 1.702 0.403 -10.016 1.00 0.00 O ATOM 1139 CB THR A 67 2.426 3.586 -9.305 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.509 3.921 -10.161 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.942 2.755 -8.128 1.00 0.00 C ATOM 0 H THR A 67 0.337 3.063 -8.247 1.00 0.00 H new ATOM 0 HA THR A 67 1.049 3.312 -10.978 1.00 0.00 H new ATOM 0 HB THR A 67 1.965 4.498 -8.926 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.174 4.438 -9.660 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.682 3.331 -7.572 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.111 2.501 -7.470 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.401 1.840 -8.502 1.00 0.00 H new ATOM 1149 N ASP A 68 2.806 1.482 -11.584 1.00 0.00 N ATOM 1150 CA ASP A 68 3.419 0.216 -12.095 1.00 0.00 C ATOM 1151 C ASP A 68 4.493 -0.289 -11.123 1.00 0.00 C ATOM 1152 O ASP A 68 5.633 -0.493 -11.493 1.00 0.00 O ATOM 1153 CB ASP A 68 4.048 0.595 -13.436 1.00 0.00 C ATOM 1154 CG ASP A 68 3.850 -0.545 -14.437 1.00 0.00 C ATOM 1155 OD1 ASP A 68 3.660 -1.667 -13.998 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.894 -0.276 -15.626 1.00 0.00 O ATOM 0 H ASP A 68 3.081 2.328 -12.083 1.00 0.00 H new ATOM 0 HA ASP A 68 2.685 -0.583 -12.197 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.593 1.510 -13.817 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.111 0.798 -13.306 1.00 0.00 H new ATOM 1161 N THR A 69 4.129 -0.496 -9.887 1.00 0.00 N ATOM 1162 CA THR A 69 5.098 -0.985 -8.867 1.00 0.00 C ATOM 1163 C THR A 69 4.317 -1.443 -7.640 1.00 0.00 C ATOM 1164 O THR A 69 4.342 -2.598 -7.260 1.00 0.00 O ATOM 1165 CB THR A 69 5.946 0.223 -8.504 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.420 0.861 -9.681 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.132 -0.214 -7.642 1.00 0.00 C ATOM 0 H THR A 69 3.184 -0.344 -9.536 1.00 0.00 H new ATOM 0 HA THR A 69 5.707 -1.814 -9.228 1.00 0.00 H new ATOM 0 HB THR A 69 5.332 0.927 -7.942 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.602 0.186 -10.368 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.736 0.657 -7.385 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.765 -0.683 -6.729 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.742 -0.927 -8.197 1.00 0.00 H new ATOM 1175 N ALA A 70 3.592 -0.539 -7.041 1.00 0.00 N ATOM 1176 CA ALA A 70 2.777 -0.904 -5.865 1.00 0.00 C ATOM 1177 C ALA A 70 1.721 -1.897 -6.318 1.00 0.00 C ATOM 1178 O ALA A 70 1.243 -2.709 -5.555 1.00 0.00 O ATOM 1179 CB ALA A 70 2.135 0.400 -5.395 1.00 0.00 C ATOM 0 H ALA A 70 3.534 0.440 -7.322 1.00 0.00 H new ATOM 0 HA ALA A 70 3.353 -1.361 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.513 0.205 -4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.914 1.116 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.519 0.811 -6.195 1.00 0.00 H new ATOM 1185 N ARG A 71 1.381 -1.860 -7.581 1.00 0.00 N ATOM 1186 CA ARG A 71 0.396 -2.821 -8.091 1.00 0.00 C ATOM 1187 C ARG A 71 1.033 -4.193 -8.021 1.00 0.00 C ATOM 1188 O ARG A 71 0.435 -5.155 -7.581 1.00 0.00 O ATOM 1189 CB ARG A 71 0.136 -2.419 -9.543 1.00 0.00 C ATOM 1190 CG ARG A 71 -1.027 -3.242 -10.098 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.150 -3.000 -11.604 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.549 -4.318 -12.177 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.669 -5.280 -12.326 1.00 0.00 C ATOM 1194 NH1 ARG A 71 0.579 -5.115 -11.962 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -1.042 -6.420 -12.842 1.00 0.00 N ATOM 0 H ARG A 71 1.749 -1.203 -8.269 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.537 -2.833 -7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.096 -1.356 -9.601 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.031 -2.583 -10.143 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.863 -4.302 -9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.955 -2.964 -9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.895 -2.234 -11.821 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.206 -2.656 -12.027 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.518 -4.473 -12.456 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.879 -4.229 -11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.250 -5.873 -12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.012 -6.558 -13.126 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.364 -7.172 -12.961 1.00 0.00 H new ATOM 1209 N ARG A 72 2.268 -4.279 -8.436 1.00 0.00 N ATOM 1210 CA ARG A 72 2.966 -5.577 -8.383 1.00 0.00 C ATOM 1211 C ARG A 72 3.234 -5.971 -6.932 1.00 0.00 C ATOM 1212 O ARG A 72 3.585 -7.097 -6.638 1.00 0.00 O ATOM 1213 CB ARG A 72 4.272 -5.372 -9.144 1.00 0.00 C ATOM 1214 CG ARG A 72 4.428 -6.494 -10.165 1.00 0.00 C ATOM 1215 CD ARG A 72 5.890 -6.945 -10.218 1.00 0.00 C ATOM 1216 NE ARG A 72 6.618 -5.825 -10.883 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.914 -5.892 -11.084 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.602 -6.942 -10.708 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.526 -4.899 -11.670 1.00 0.00 N ATOM 0 H ARG A 72 2.816 -3.503 -8.807 1.00 0.00 H new ATOM 0 HA ARG A 72 2.374 -6.379 -8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.269 -4.404 -9.645 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.115 -5.371 -8.453 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.788 -7.334 -9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.108 -6.151 -11.149 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.282 -7.131 -9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.996 -7.873 -10.780 1.00 0.00 H new ATOM 0 HE ARG A 72 6.103 -4.998 -11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.131 -7.723 -10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.608 -6.978 -10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.998 -4.079 -11.968 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.532 -4.943 -11.830 1.00 0.00 H new ATOM 1233 N LEU A 73 3.052 -5.063 -6.018 1.00 0.00 N ATOM 1234 CA LEU A 73 3.265 -5.394 -4.599 1.00 0.00 C ATOM 1235 C LEU A 73 1.908 -5.625 -3.957 1.00 0.00 C ATOM 1236 O LEU A 73 1.773 -6.392 -3.024 1.00 0.00 O ATOM 1237 CB LEU A 73 3.977 -4.187 -3.989 1.00 0.00 C ATOM 1238 CG LEU A 73 5.258 -3.894 -4.775 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.640 -2.423 -4.600 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.390 -4.778 -4.251 1.00 0.00 C ATOM 0 H LEU A 73 2.763 -4.102 -6.201 1.00 0.00 H new ATOM 0 HA LEU A 73 3.862 -6.294 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.320 -3.317 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.217 -4.383 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 73 5.091 -4.103 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.552 -2.215 -5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.834 -1.791 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.807 -2.214 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.302 -4.570 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.556 -4.568 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.120 -5.827 -4.375 1.00 0.00 H new ATOM 1252 N LEU A 74 0.887 -5.006 -4.483 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.461 -5.243 -3.933 1.00 0.00 C ATOM 1254 C LEU A 74 -0.879 -6.641 -4.371 1.00 0.00 C ATOM 1255 O LEU A 74 -1.596 -7.337 -3.685 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.359 -4.173 -4.551 1.00 0.00 C ATOM 1257 CG LEU A 74 -0.999 -2.811 -3.960 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.332 -1.711 -4.968 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.799 -2.587 -2.675 1.00 0.00 C ATOM 0 H LEU A 74 0.935 -4.352 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.514 -5.185 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.234 -4.157 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.406 -4.403 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 74 0.067 -2.783 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.075 -0.740 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.762 -1.871 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.398 -1.737 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.543 -1.616 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.865 -2.615 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.559 -3.370 -1.956 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.382 -7.074 -5.504 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.701 -8.438 -5.979 1.00 0.00 C ATOM 1273 C ARG A 75 0.172 -9.415 -5.197 1.00 0.00 C ATOM 1274 O ARG A 75 -0.207 -10.537 -4.924 1.00 0.00 O ATOM 1275 CB ARG A 75 -0.364 -8.444 -7.480 1.00 0.00 C ATOM 1276 CG ARG A 75 1.143 -8.329 -7.685 1.00 0.00 C ATOM 1277 CD ARG A 75 1.784 -9.717 -7.616 1.00 0.00 C ATOM 1278 NE ARG A 75 2.459 -9.891 -8.935 1.00 0.00 N ATOM 1279 CZ ARG A 75 3.396 -10.796 -9.097 1.00 0.00 C ATOM 1280 NH1 ARG A 75 3.761 -11.573 -8.109 1.00 0.00 N ATOM 1281 NH2 ARG A 75 3.972 -10.923 -10.262 1.00 0.00 N ATOM 0 H ARG A 75 0.231 -6.534 -6.115 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.742 -8.725 -5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.731 -9.362 -7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.870 -7.616 -7.976 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.354 -7.869 -8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.574 -7.681 -6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.498 -9.783 -6.795 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.035 -10.491 -7.450 1.00 0.00 H new ATOM 0 HE ARG A 75 2.189 -9.299 -9.721 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.316 -11.480 -7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.491 -12.271 -8.252 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.693 -10.322 -11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.701 -11.624 -10.397 1.00 0.00 H new ATOM 1295 N GLN A 76 1.342 -8.973 -4.818 1.00 0.00 N ATOM 1296 CA GLN A 76 2.253 -9.831 -4.037 1.00 0.00 C ATOM 1297 C GLN A 76 1.799 -9.859 -2.588 1.00 0.00 C ATOM 1298 O GLN A 76 1.940 -10.844 -1.891 1.00 0.00 O ATOM 1299 CB GLN A 76 3.602 -9.152 -4.187 1.00 0.00 C ATOM 1300 CG GLN A 76 4.725 -10.171 -4.011 1.00 0.00 C ATOM 1301 CD GLN A 76 5.347 -10.465 -5.375 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.593 -11.606 -5.712 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.614 -9.472 -6.181 1.00 0.00 N ATOM 0 H GLN A 76 1.701 -8.041 -5.024 1.00 0.00 H new ATOM 0 HA GLN A 76 2.281 -10.868 -4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.675 -8.685 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.702 -8.358 -3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.481 -9.784 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.336 -11.088 -3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.407 -8.515 -5.897 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.030 -9.654 -7.095 1.00 0.00 H new ATOM 1312 N ALA A 77 1.232 -8.784 -2.149 1.00 0.00 N ATOM 1313 CA ALA A 77 0.727 -8.720 -0.756 1.00 0.00 C ATOM 1314 C ALA A 77 -0.451 -9.692 -0.582 1.00 0.00 C ATOM 1315 O ALA A 77 -0.891 -9.954 0.521 1.00 0.00 O ATOM 1316 CB ALA A 77 0.267 -7.276 -0.568 1.00 0.00 C ATOM 0 H ALA A 77 1.093 -7.936 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 77 1.484 -9.001 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.122 -7.147 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.110 -6.603 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.516 -7.047 -1.290 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.959 -10.238 -1.660 1.00 0.00 N ATOM 1323 CA GLY A 78 -2.096 -11.197 -1.547 1.00 0.00 C ATOM 1324 C GLY A 78 -3.423 -10.505 -1.885 1.00 0.00 C ATOM 1325 O GLY A 78 -4.481 -10.973 -1.513 1.00 0.00 O ATOM 0 H GLY A 78 -0.634 -10.060 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.937 -12.039 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.138 -11.602 -0.536 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.386 -9.400 -2.584 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.658 -8.701 -2.928 1.00 0.00 C ATOM 1331 C VAL A 79 -5.261 -9.278 -4.212 1.00 0.00 C ATOM 1332 O VAL A 79 -6.288 -9.927 -4.188 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.293 -7.235 -3.127 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.571 -6.411 -3.277 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.505 -6.730 -1.917 1.00 0.00 C ATOM 0 H VAL A 79 -2.536 -8.955 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.402 -8.825 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.682 -7.134 -4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.313 -5.362 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.134 -6.767 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.179 -6.516 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.246 -5.681 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.114 -6.831 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.593 -7.317 -1.806 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.631 -9.049 -5.332 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.170 -9.586 -6.614 1.00 0.00 C ATOM 1347 C PHE A 80 -4.054 -10.258 -7.413 1.00 0.00 C ATOM 1348 O PHE A 80 -2.885 -10.087 -7.127 1.00 0.00 O ATOM 1349 CB PHE A 80 -5.715 -8.369 -7.366 1.00 0.00 C ATOM 1350 CG PHE A 80 -4.622 -7.341 -7.541 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -3.785 -7.387 -8.665 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -4.447 -6.337 -6.582 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -2.777 -6.429 -8.826 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -3.440 -5.381 -6.743 1.00 0.00 C ATOM 1355 CZ PHE A 80 -2.605 -5.426 -7.864 1.00 0.00 C ATOM 0 H PHE A 80 -3.767 -8.514 -5.415 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.943 -10.337 -6.452 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.099 -8.674 -8.340 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -6.550 -7.935 -6.816 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.918 -8.161 -9.406 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.091 -6.301 -5.716 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.132 -6.463 -9.692 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.307 -4.607 -6.001 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.827 -4.687 -7.988 1.00 0.00 H new ATOM 1365 N ARG A 81 -4.401 -11.022 -8.410 1.00 0.00 N ATOM 1366 CA ARG A 81 -3.352 -11.704 -9.219 1.00 0.00 C ATOM 1367 C ARG A 81 -3.884 -12.043 -10.613 1.00 0.00 C ATOM 1368 O ARG A 81 -3.852 -13.180 -11.041 1.00 0.00 O ATOM 1369 CB ARG A 81 -3.026 -12.974 -8.441 1.00 0.00 C ATOM 1370 CG ARG A 81 -4.291 -13.813 -8.282 1.00 0.00 C ATOM 1371 CD ARG A 81 -3.955 -15.277 -8.554 1.00 0.00 C ATOM 1372 NE ARG A 81 -4.264 -15.989 -7.279 1.00 0.00 N ATOM 1373 CZ ARG A 81 -4.148 -17.295 -7.192 1.00 0.00 C ATOM 1374 NH1 ARG A 81 -3.775 -18.008 -8.223 1.00 0.00 N ATOM 1375 NH2 ARG A 81 -4.413 -17.890 -6.061 1.00 0.00 N ATOM 0 H ARG A 81 -5.362 -11.204 -8.700 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.473 -11.078 -9.368 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.260 -13.547 -8.964 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.620 -12.719 -7.462 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.693 -13.700 -7.275 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.060 -13.469 -8.973 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.548 -15.671 -9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.907 -15.397 -8.829 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.569 -15.455 -6.465 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.569 -17.551 -9.111 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.690 -19.021 -8.139 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.708 -17.342 -5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.325 -18.903 -5.985 1.00 0.00 H new ATOM 1389 N GLN A 82 -4.363 -11.063 -11.329 1.00 0.00 N ATOM 1390 CA GLN A 82 -4.886 -11.330 -12.699 1.00 0.00 C ATOM 1391 C GLN A 82 -3.716 -11.499 -13.674 1.00 0.00 C ATOM 1392 O GLN A 82 -2.756 -10.755 -13.638 1.00 0.00 O ATOM 1393 CB GLN A 82 -5.712 -10.094 -13.059 1.00 0.00 C ATOM 1394 CG GLN A 82 -6.847 -9.925 -12.046 1.00 0.00 C ATOM 1395 CD GLN A 82 -8.163 -9.695 -12.792 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -8.563 -10.504 -13.605 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -8.857 -8.618 -12.546 1.00 0.00 N ATOM 0 H GLN A 82 -4.415 -10.091 -11.025 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.483 -12.241 -12.748 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.078 -9.208 -13.061 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -6.120 -10.197 -14.065 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.923 -10.812 -11.417 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.638 -9.083 -11.386 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.520 -7.939 -11.863 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.736 -8.455 -13.037 1.00 0.00 H new ATOM 1406 N GLU A 83 -3.782 -12.474 -14.536 1.00 0.00 N ATOM 1407 CA GLU A 83 -2.664 -12.688 -15.500 1.00 0.00 C ATOM 1408 C GLU A 83 -2.971 -12.020 -16.844 1.00 0.00 C ATOM 1409 O GLU A 83 -2.088 -11.799 -17.650 1.00 0.00 O ATOM 1410 CB GLU A 83 -2.570 -14.203 -15.663 1.00 0.00 C ATOM 1411 CG GLU A 83 -1.154 -14.665 -15.318 1.00 0.00 C ATOM 1412 CD GLU A 83 -0.201 -14.275 -16.450 1.00 0.00 C ATOM 1413 OE1 GLU A 83 0.253 -13.142 -16.450 1.00 0.00 O ATOM 1414 OE2 GLU A 83 0.059 -15.114 -17.295 1.00 0.00 O ATOM 0 H GLU A 83 -4.558 -13.131 -14.616 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.730 -12.254 -15.145 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.293 -14.695 -15.013 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.817 -14.486 -16.686 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.829 -14.210 -14.382 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.138 -15.745 -15.170 1.00 0.00 H new ATOM 1421 N ALA A 84 -4.211 -11.700 -17.098 1.00 0.00 N ATOM 1422 CA ALA A 84 -4.555 -11.052 -18.398 1.00 0.00 C ATOM 1423 C ALA A 84 -5.985 -10.505 -18.362 1.00 0.00 C ATOM 1424 O ALA A 84 -6.943 -11.234 -18.526 1.00 0.00 O ATOM 1425 CB ALA A 84 -4.435 -12.167 -19.437 1.00 0.00 C ATOM 0 H ALA A 84 -4.997 -11.858 -16.467 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.902 -10.209 -18.623 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.673 -11.771 -20.424 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.417 -12.556 -19.438 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.130 -12.970 -19.191 1.00 0.00 H new ATOM 1431 N ARG A 85 -6.135 -9.224 -18.155 1.00 0.00 N ATOM 1432 CA ARG A 85 -7.501 -8.625 -18.116 1.00 0.00 C ATOM 1433 C ARG A 85 -7.405 -7.106 -17.948 1.00 0.00 C ATOM 1434 O ARG A 85 -8.175 -6.358 -18.519 1.00 0.00 O ATOM 1435 CB ARG A 85 -8.184 -9.258 -16.901 1.00 0.00 C ATOM 1436 CG ARG A 85 -9.650 -9.551 -17.234 1.00 0.00 C ATOM 1437 CD ARG A 85 -9.960 -11.018 -16.928 1.00 0.00 C ATOM 1438 NE ARG A 85 -11.449 -11.105 -16.925 1.00 0.00 N ATOM 1439 CZ ARG A 85 -12.056 -12.265 -17.026 1.00 0.00 C ATOM 1440 NH1 ARG A 85 -11.370 -13.376 -17.138 1.00 0.00 N ATOM 1441 NH2 ARG A 85 -13.359 -12.312 -17.016 1.00 0.00 N ATOM 0 H ARG A 85 -5.369 -8.566 -18.011 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.058 -8.810 -19.034 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.672 -10.179 -16.622 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -8.122 -8.587 -16.045 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.303 -8.901 -16.652 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.845 -9.339 -18.285 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.528 -11.678 -17.680 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.545 -11.317 -15.965 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.003 -10.252 -16.843 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.350 -13.347 -17.148 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.856 -14.270 -17.216 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.900 -11.451 -16.930 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.838 -13.209 -17.094 1.00 0.00 H new ATOM 1455 N GLU A 86 -6.466 -6.645 -17.168 1.00 0.00 N ATOM 1456 CA GLU A 86 -6.318 -5.177 -16.961 1.00 0.00 C ATOM 1457 C GLU A 86 -5.908 -4.491 -18.268 1.00 0.00 C ATOM 1458 O GLU A 86 -4.738 -4.347 -18.563 1.00 0.00 O ATOM 1459 CB GLU A 86 -5.212 -5.037 -15.915 1.00 0.00 C ATOM 1460 CG GLU A 86 -5.634 -4.019 -14.855 1.00 0.00 C ATOM 1461 CD GLU A 86 -4.471 -3.777 -13.891 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -3.697 -4.698 -13.687 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -4.373 -2.676 -13.376 1.00 0.00 O ATOM 0 H GLU A 86 -5.794 -7.223 -16.664 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.250 -4.711 -16.639 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.015 -6.002 -15.448 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.285 -4.718 -16.392 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.927 -3.083 -15.330 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.503 -4.385 -14.309 1.00 0.00 H new ATOM 1470 N GLY A 87 -6.859 -4.066 -19.054 1.00 0.00 N ATOM 1471 CA GLY A 87 -6.518 -3.389 -20.338 1.00 0.00 C ATOM 1472 C GLY A 87 -7.073 -4.200 -21.510 1.00 0.00 C ATOM 1473 O GLY A 87 -6.964 -5.410 -21.549 1.00 0.00 O ATOM 0 H GLY A 87 -7.857 -4.158 -18.863 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.934 -2.381 -20.351 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.437 -3.289 -20.432 1.00 0.00 H new ATOM 1477 N ALA A 88 -7.669 -3.544 -22.470 1.00 0.00 N ATOM 1478 CA ALA A 88 -8.232 -4.280 -23.639 1.00 0.00 C ATOM 1479 C ALA A 88 -7.354 -4.061 -24.875 1.00 0.00 C ATOM 1480 O ALA A 88 -6.958 -2.930 -25.103 1.00 0.00 O ATOM 1481 CB ALA A 88 -9.622 -3.681 -23.854 1.00 0.00 C ATOM 1482 OXT ALA A 88 -7.094 -5.028 -25.571 1.00 0.00 O ATOM 0 H ALA A 88 -7.790 -2.532 -22.495 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.275 -5.356 -23.468 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -10.103 -4.172 -24.700 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -10.225 -3.829 -22.958 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -9.531 -2.614 -24.057 1.00 0.00 H new TER 1488 ALA A 88