USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=37 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 46 HIS :FLIP no HD1:sc= -1.07 F(o=-3.3,f=-0.94) USER MOD Set 1.2: A 70 TYR OH : rot 63:sc= 0.132 USER MOD Set 2.1: A 38 GLN : amide:sc= -1.57! X(o=-0.32!,f=-0.34) USER MOD Set 2.2: A 43 SER OG : rot 139:sc= 1.25 USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= 0.0221 USER MOD Set 4.1: A -4 THR OG1 : rot -42:sc= 0.754 USER MOD Set 4.2: A 77 SER OG : rot -138:sc= 0.821 USER MOD Single : A 4 THR OG1 : rot -37:sc= -5.95! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -135:sc= -3.08! (180deg=-5.63!) USER MOD Single : A -3 THR OG1 : rot -102:sc= 0.114 USER MOD Single : A -5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -6 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -6 SER OG : rot 135:sc= -2.68! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 150:sc= 0 USER MOD Single : A 20 SER OG : rot 44:sc= 0.814 USER MOD Single : A 21 CYS SG : rot -109:sc= -1.05! USER MOD Single : A 23 THR OG1 : rot 15:sc= 0.501! USER MOD Single : A 30 THR OG1 : rot 86:sc= 1.16 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0.00747 (180deg=0.00633) USER MOD Single : A 41 SER OG : rot 170:sc= -0.59 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 47 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.17) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 94:sc= -0.135 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 22:sc= 1.22 USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.257 (180deg=-0.884) USER MOD Single : A 55 SER OG : rot -0:sc= -5.53! USER MOD Single : A 56 THR OG1 : rot 172:sc= -5.24! USER MOD Single : A 60 SER OG : rot 126:sc= -0.0313 USER MOD Single : A 61 SER OG : rot -45:sc= 0.0309 USER MOD Single : A 63 GLN :FLIP amide:sc= -1.11 F(o=-1.7,f=-1.1) USER MOD Single : A 65 SER OG : rot -58:sc= 0.932 USER MOD Single : A 69 ASN : amide:sc= -6.08! C(o=-6.1!,f=-18!) USER MOD Single : A 71 SER OG : rot 79:sc= -2.33! USER MOD Single : A 76 ASN : amide:sc= -9.37! C(o=-9.4!,f=-9.9!) USER MOD Single : A 80 LYS NZ :NH3+ -146:sc= -0.479 (180deg=-2.5!) USER MOD Single : A 81 GLN : amide:sc= -3.16! X(o=-3.2!,f=-2.8) USER MOD Single : A 86 THR OG1 : rot 29:sc= 0.7 USER MOD Single : A 90 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -6 23.767 5.153 -4.308 1.00 0.00 N ATOM 2 CA SER A -6 23.421 5.411 -2.880 1.00 0.00 C ATOM 3 C SER A -6 23.877 4.237 -2.011 1.00 0.00 C ATOM 4 O SER A -6 23.391 3.133 -2.134 1.00 0.00 O ATOM 5 CB SER A -6 21.899 5.544 -2.861 1.00 0.00 C ATOM 6 OG SER A -6 21.392 5.088 -1.613 1.00 0.00 O ATOM 0 H1 SER A -6 23.454 5.955 -4.891 1.00 0.00 H new ATOM 0 H2 SER A -6 24.797 5.039 -4.401 1.00 0.00 H new ATOM 0 H3 SER A -6 23.292 4.285 -4.629 1.00 0.00 H new ATOM 0 HA SER A -6 23.908 6.303 -2.486 1.00 0.00 H new ATOM 0 HB2 SER A -6 21.613 6.584 -3.022 1.00 0.00 H new ATOM 0 HB3 SER A -6 21.464 4.964 -3.675 1.00 0.00 H new ATOM 0 HG SER A -6 20.719 5.719 -1.283 1.00 0.00 H new ATOM 12 N LYS A -5 24.810 4.470 -1.132 1.00 0.00 N ATOM 13 CA LYS A -5 25.307 3.375 -0.250 1.00 0.00 C ATOM 14 C LYS A -5 24.139 2.622 0.393 1.00 0.00 C ATOM 15 O LYS A -5 23.009 3.065 0.359 1.00 0.00 O ATOM 16 CB LYS A -5 26.132 4.088 0.824 1.00 0.00 C ATOM 17 CG LYS A -5 27.569 4.260 0.338 1.00 0.00 C ATOM 18 CD LYS A -5 28.172 2.884 0.069 1.00 0.00 C ATOM 19 CE LYS A -5 29.698 2.965 0.151 1.00 0.00 C ATOM 20 NZ LYS A -5 30.144 3.224 -1.247 1.00 0.00 N ATOM 0 H LYS A -5 25.253 5.377 -0.985 1.00 0.00 H new ATOM 0 HA LYS A -5 25.888 2.637 -0.803 1.00 0.00 H new ATOM 0 HB2 LYS A -5 25.694 5.061 1.047 1.00 0.00 H new ATOM 0 HB3 LYS A -5 26.117 3.513 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A -5 27.590 4.864 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS A -5 28.159 4.789 1.087 1.00 0.00 H new ATOM 0 HD2 LYS A -5 27.797 2.163 0.796 1.00 0.00 H new ATOM 0 HD3 LYS A -5 27.869 2.530 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS A -5 30.016 3.764 0.821 1.00 0.00 H new ATOM 0 HE3 LYS A -5 30.123 2.038 0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A -5 31.181 3.293 -1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A -5 29.833 2.444 -1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A -5 29.729 4.116 -1.584 1.00 0.00 H new ATOM 34 N THR A -4 24.406 1.492 0.989 1.00 0.00 N ATOM 35 CA THR A -4 23.313 0.722 1.647 1.00 0.00 C ATOM 36 C THR A -4 23.326 0.991 3.156 1.00 0.00 C ATOM 37 O THR A -4 22.808 0.220 3.939 1.00 0.00 O ATOM 38 CB THR A -4 23.621 -0.749 1.355 1.00 0.00 C ATOM 39 OG1 THR A -4 22.590 -1.563 1.900 1.00 0.00 O ATOM 40 CG2 THR A -4 24.961 -1.129 1.985 1.00 0.00 C ATOM 0 H THR A -4 25.332 1.069 1.049 1.00 0.00 H new ATOM 0 HA THR A -4 22.326 1.003 1.279 1.00 0.00 H new ATOM 0 HB THR A -4 23.675 -0.902 0.277 1.00 0.00 H new ATOM 0 HG1 THR A -4 22.341 -1.226 2.786 1.00 0.00 H new ATOM 0 HG21 THR A -4 25.178 -2.177 1.776 1.00 0.00 H new ATOM 0 HG22 THR A -4 25.750 -0.505 1.566 1.00 0.00 H new ATOM 0 HG23 THR A -4 24.912 -0.977 3.063 1.00 0.00 H new ATOM 48 N THR A -3 23.923 2.084 3.565 1.00 0.00 N ATOM 49 CA THR A -3 23.984 2.422 5.022 1.00 0.00 C ATOM 50 C THR A -3 22.619 2.225 5.687 1.00 0.00 C ATOM 51 O THR A -3 22.435 1.342 6.502 1.00 0.00 O ATOM 52 CB THR A -3 24.370 3.901 5.062 1.00 0.00 C ATOM 53 OG1 THR A -3 23.767 4.577 3.966 1.00 0.00 O ATOM 54 CG2 THR A -3 25.887 4.036 4.973 1.00 0.00 C ATOM 0 H THR A -3 24.373 2.761 2.949 1.00 0.00 H new ATOM 0 HA THR A -3 24.690 1.785 5.555 1.00 0.00 H new ATOM 0 HB THR A -3 24.023 4.342 5.996 1.00 0.00 H new ATOM 0 HG1 THR A -3 24.435 4.723 3.264 1.00 0.00 H new ATOM 0 HG21 THR A -3 26.161 5.091 5.002 1.00 0.00 H new ATOM 0 HG22 THR A -3 26.348 3.518 5.814 1.00 0.00 H new ATOM 0 HG23 THR A -3 26.237 3.595 4.040 1.00 0.00 H new ATOM 62 N LEU A -2 21.671 3.050 5.348 1.00 0.00 N ATOM 63 CA LEU A -2 20.319 2.933 5.950 1.00 0.00 C ATOM 64 C LEU A -2 19.713 1.562 5.633 1.00 0.00 C ATOM 65 O LEU A -2 20.414 0.586 5.452 1.00 0.00 O ATOM 66 CB LEU A -2 19.510 4.060 5.300 1.00 0.00 C ATOM 67 CG LEU A -2 18.904 4.945 6.385 1.00 0.00 C ATOM 68 CD1 LEU A -2 18.092 6.067 5.736 1.00 0.00 C ATOM 69 CD2 LEU A -2 17.991 4.104 7.275 1.00 0.00 C ATOM 0 H LEU A -2 21.777 3.807 4.673 1.00 0.00 H new ATOM 0 HA LEU A -2 20.333 3.017 7.037 1.00 0.00 H new ATOM 0 HB2 LEU A -2 20.152 4.653 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A -2 18.721 3.642 4.675 1.00 0.00 H new ATOM 0 HG LEU A -2 19.702 5.378 6.988 1.00 0.00 H new ATOM 0 HD11 LEU A -2 17.659 6.699 6.512 1.00 0.00 H new ATOM 0 HD12 LEU A -2 18.744 6.667 5.101 1.00 0.00 H new ATOM 0 HD13 LEU A -2 17.294 5.636 5.132 1.00 0.00 H new ATOM 0 HD21 LEU A -2 17.557 4.735 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A -2 17.193 3.671 6.672 1.00 0.00 H new ATOM 0 HD23 LEU A -2 18.570 3.305 7.739 1.00 0.00 H new ATOM 81 N ALA A -1 18.418 1.477 5.571 1.00 0.00 N ATOM 82 CA ALA A -1 17.776 0.166 5.279 1.00 0.00 C ATOM 83 C ALA A -1 16.326 0.371 4.819 1.00 0.00 C ATOM 84 O ALA A -1 16.071 0.627 3.661 1.00 0.00 O ATOM 85 CB ALA A -1 17.847 -0.599 6.604 1.00 0.00 C ATOM 0 H ALA A -1 17.775 2.256 5.709 1.00 0.00 H new ATOM 0 HA ALA A -1 18.270 -0.378 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A -1 17.394 -1.583 6.481 1.00 0.00 H new ATOM 0 HB2 ALA A -1 18.889 -0.714 6.902 1.00 0.00 H new ATOM 0 HB3 ALA A -1 17.309 -0.045 7.373 1.00 0.00 H new ATOM 91 N ALA A 0 15.377 0.253 5.707 1.00 0.00 N ATOM 92 CA ALA A 0 13.951 0.443 5.317 1.00 0.00 C ATOM 93 C ALA A 0 13.140 0.924 6.526 1.00 0.00 C ATOM 94 O ALA A 0 13.117 0.283 7.557 1.00 0.00 O ATOM 95 CB ALA A 0 13.473 -0.935 4.861 1.00 0.00 C ATOM 0 H ALA A 0 15.529 0.032 6.691 1.00 0.00 H new ATOM 0 HA ALA A 0 13.831 1.190 4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 0 12.428 -0.875 4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 0 14.078 -1.269 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 0 13.572 -1.645 5.682 1.00 0.00 H new ATOM 101 N ARG A 1 12.476 2.043 6.417 1.00 0.00 N ATOM 102 CA ARG A 1 11.678 2.539 7.577 1.00 0.00 C ATOM 103 C ARG A 1 10.453 3.328 7.100 1.00 0.00 C ATOM 104 O ARG A 1 10.495 4.020 6.103 1.00 0.00 O ATOM 105 CB ARG A 1 12.630 3.451 8.350 1.00 0.00 C ATOM 106 CG ARG A 1 13.073 4.605 7.450 1.00 0.00 C ATOM 107 CD ARG A 1 12.691 5.937 8.098 1.00 0.00 C ATOM 108 NE ARG A 1 13.973 6.688 8.218 1.00 0.00 N ATOM 109 CZ ARG A 1 13.989 7.870 8.771 1.00 0.00 C ATOM 110 NH1 ARG A 1 13.241 8.114 9.812 1.00 0.00 N ATOM 111 NH2 ARG A 1 14.753 8.808 8.282 1.00 0.00 N ATOM 0 H ARG A 1 12.451 2.631 5.584 1.00 0.00 H new ATOM 0 HA ARG A 1 11.301 1.720 8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.136 3.839 9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.498 2.885 8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.150 4.562 7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.602 4.517 6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.970 6.481 7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.230 5.784 9.074 1.00 0.00 H new ATOM 0 HE ARG A 1 14.839 6.278 7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.644 7.381 10.194 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.254 9.038 10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.337 8.617 7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.766 9.732 8.714 1.00 0.00 H new ATOM 125 N ILE A 2 9.366 3.233 7.819 1.00 0.00 N ATOM 126 CA ILE A 2 8.134 3.977 7.424 1.00 0.00 C ATOM 127 C ILE A 2 8.136 5.365 8.070 1.00 0.00 C ATOM 128 O ILE A 2 8.244 5.504 9.272 1.00 0.00 O ATOM 129 CB ILE A 2 6.968 3.150 7.968 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.051 1.706 7.429 1.00 0.00 C ATOM 131 CG2 ILE A 2 5.641 3.807 7.562 1.00 0.00 C ATOM 132 CD1 ILE A 2 6.533 1.622 5.985 1.00 0.00 C ATOM 0 H ILE A 2 9.278 2.671 8.665 1.00 0.00 H new ATOM 0 HA ILE A 2 8.067 4.114 6.345 1.00 0.00 H new ATOM 0 HB ILE A 2 7.022 3.113 9.056 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.083 1.359 7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.467 1.043 8.067 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.810 3.218 7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.594 4.815 7.973 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.576 3.855 6.475 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.604 0.593 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.493 1.946 5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.134 2.267 5.345 1.00 0.00 H new ATOM 144 N LEU A 3 8.021 6.390 7.277 1.00 0.00 N ATOM 145 CA LEU A 3 8.017 7.774 7.832 1.00 0.00 C ATOM 146 C LEU A 3 6.602 8.356 7.783 1.00 0.00 C ATOM 147 O LEU A 3 6.106 8.897 8.750 1.00 0.00 O ATOM 148 CB LEU A 3 8.960 8.550 6.913 1.00 0.00 C ATOM 149 CG LEU A 3 9.083 9.995 7.392 1.00 0.00 C ATOM 150 CD1 LEU A 3 10.561 10.391 7.429 1.00 0.00 C ATOM 151 CD2 LEU A 3 8.331 10.909 6.420 1.00 0.00 C ATOM 0 H LEU A 3 7.929 6.331 6.263 1.00 0.00 H new ATOM 0 HA LEU A 3 8.333 7.816 8.874 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.942 8.077 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.584 8.528 5.890 1.00 0.00 H new ATOM 0 HG LEU A 3 8.657 10.093 8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.653 11.422 7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.097 9.733 8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.987 10.300 6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.414 11.943 6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.763 10.815 5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.280 10.621 6.389 1.00 0.00 H new ATOM 163 N THR A 4 5.954 8.239 6.662 1.00 0.00 N ATOM 164 CA THR A 4 4.564 8.773 6.534 1.00 0.00 C ATOM 165 C THR A 4 3.653 7.712 5.921 1.00 0.00 C ATOM 166 O THR A 4 3.195 7.855 4.809 1.00 0.00 O ATOM 167 CB THR A 4 4.677 9.967 5.589 1.00 0.00 C ATOM 168 OG1 THR A 4 5.696 10.842 6.049 1.00 0.00 O ATOM 169 CG2 THR A 4 3.342 10.712 5.544 1.00 0.00 C ATOM 0 H THR A 4 6.325 7.795 5.822 1.00 0.00 H new ATOM 0 HA THR A 4 4.143 9.052 7.500 1.00 0.00 H new ATOM 0 HB THR A 4 4.928 9.615 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.685 10.870 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.423 11.564 4.869 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.562 10.040 5.187 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.088 11.064 6.544 1.00 0.00 H new ATOM 177 N LYS A 5 3.399 6.648 6.634 1.00 0.00 N ATOM 178 CA LYS A 5 2.531 5.560 6.100 1.00 0.00 C ATOM 179 C LYS A 5 1.263 6.121 5.436 1.00 0.00 C ATOM 180 O LYS A 5 0.980 7.299 5.527 1.00 0.00 O ATOM 181 CB LYS A 5 2.169 4.722 7.327 1.00 0.00 C ATOM 182 CG LYS A 5 1.462 5.605 8.357 1.00 0.00 C ATOM 183 CD LYS A 5 2.444 5.974 9.470 1.00 0.00 C ATOM 184 CE LYS A 5 1.689 6.105 10.794 1.00 0.00 C ATOM 185 NZ LYS A 5 2.722 6.514 11.787 1.00 0.00 N ATOM 0 H LYS A 5 3.760 6.485 7.574 1.00 0.00 H new ATOM 0 HA LYS A 5 3.038 4.981 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.522 3.894 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.069 4.287 7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.082 6.508 7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.603 5.079 8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.218 5.211 9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.946 6.912 9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.894 6.847 10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.221 5.162 11.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.280 6.624 12.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.463 5.786 11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.145 7.418 11.495 1.00 0.00 H new ATOM 199 N PRO A 6 0.540 5.243 4.783 1.00 0.00 N ATOM 200 CA PRO A 6 -0.699 5.639 4.086 1.00 0.00 C ATOM 201 C PRO A 6 -1.891 5.591 5.046 1.00 0.00 C ATOM 202 O PRO A 6 -1.924 4.803 5.972 1.00 0.00 O ATOM 203 CB PRO A 6 -0.836 4.581 2.991 1.00 0.00 C ATOM 204 CG PRO A 6 -0.078 3.380 3.485 1.00 0.00 C ATOM 205 CD PRO A 6 0.801 3.811 4.638 1.00 0.00 C ATOM 0 HA PRO A 6 -0.670 6.655 3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.883 4.336 2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.427 4.940 2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.769 2.601 3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.528 2.958 2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.553 3.268 5.550 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.853 3.619 4.428 1.00 0.00 H new ATOM 213 N ARG A 7 -2.872 6.423 4.831 1.00 0.00 N ATOM 214 CA ARG A 7 -4.060 6.418 5.731 1.00 0.00 C ATOM 215 C ARG A 7 -5.105 5.433 5.203 1.00 0.00 C ATOM 216 O ARG A 7 -4.926 4.824 4.167 1.00 0.00 O ATOM 217 CB ARG A 7 -4.600 7.849 5.688 1.00 0.00 C ATOM 218 CG ARG A 7 -3.605 8.792 6.371 1.00 0.00 C ATOM 219 CD ARG A 7 -4.329 10.068 6.808 1.00 0.00 C ATOM 220 NE ARG A 7 -3.634 10.497 8.053 1.00 0.00 N ATOM 221 CZ ARG A 7 -4.289 11.149 8.975 1.00 0.00 C ATOM 222 NH1 ARG A 7 -5.119 10.513 9.758 1.00 0.00 N ATOM 223 NH2 ARG A 7 -4.114 12.434 9.115 1.00 0.00 N ATOM 0 H ARG A 7 -2.903 7.105 4.073 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.812 6.111 6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.759 8.158 4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.567 7.899 6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.157 8.301 7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.793 9.038 5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.272 10.838 6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.387 9.879 6.991 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.646 10.281 8.185 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.255 9.508 9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.631 11.021 10.479 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.465 12.930 8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.626 12.943 9.836 1.00 0.00 H new ATOM 237 N SER A 8 -6.191 5.264 5.905 1.00 0.00 N ATOM 238 CA SER A 8 -7.232 4.310 5.435 1.00 0.00 C ATOM 239 C SER A 8 -8.325 5.048 4.658 1.00 0.00 C ATOM 240 O SER A 8 -8.207 6.219 4.356 1.00 0.00 O ATOM 241 CB SER A 8 -7.802 3.693 6.707 1.00 0.00 C ATOM 242 OG SER A 8 -6.748 3.490 7.638 1.00 0.00 O ATOM 0 H SER A 8 -6.402 5.743 6.780 1.00 0.00 H new ATOM 0 HA SER A 8 -6.825 3.557 4.761 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.561 4.348 7.135 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.290 2.745 6.479 1.00 0.00 H new ATOM 0 HG SER A 8 -7.108 3.095 8.459 1.00 0.00 H new ATOM 248 N MET A 9 -9.382 4.361 4.325 1.00 0.00 N ATOM 249 CA MET A 9 -10.488 4.994 3.557 1.00 0.00 C ATOM 250 C MET A 9 -11.627 3.996 3.372 1.00 0.00 C ATOM 251 O MET A 9 -11.505 2.827 3.684 1.00 0.00 O ATOM 252 CB MET A 9 -9.884 5.349 2.207 1.00 0.00 C ATOM 253 CG MET A 9 -10.507 6.638 1.680 1.00 0.00 C ATOM 254 SD MET A 9 -10.091 8.018 2.777 1.00 0.00 S ATOM 255 CE MET A 9 -8.448 8.360 2.097 1.00 0.00 C ATOM 0 H MET A 9 -9.527 3.378 4.555 1.00 0.00 H new ATOM 0 HA MET A 9 -10.895 5.868 4.066 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.805 5.469 2.302 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.053 4.538 1.499 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.145 6.841 0.672 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.589 6.528 1.614 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.739 8.504 2.913 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.127 7.520 1.481 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.487 9.263 1.487 1.00 0.00 H new ATOM 265 N THR A 10 -12.731 4.449 2.869 1.00 0.00 N ATOM 266 CA THR A 10 -13.887 3.528 2.662 1.00 0.00 C ATOM 267 C THR A 10 -14.779 4.002 1.515 1.00 0.00 C ATOM 268 O THR A 10 -15.097 5.169 1.407 1.00 0.00 O ATOM 269 CB THR A 10 -14.652 3.570 3.983 1.00 0.00 C ATOM 270 OG1 THR A 10 -15.737 2.654 3.932 1.00 0.00 O ATOM 271 CG2 THR A 10 -15.185 4.983 4.226 1.00 0.00 C ATOM 0 H THR A 10 -12.890 5.417 2.590 1.00 0.00 H new ATOM 0 HA THR A 10 -13.561 2.523 2.395 1.00 0.00 H new ATOM 0 HB THR A 10 -13.982 3.294 4.797 1.00 0.00 H new ATOM 0 HG1 THR A 10 -16.227 2.680 4.780 1.00 0.00 H new ATOM 0 HG21 THR A 10 -15.730 5.009 5.169 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.351 5.684 4.269 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.854 5.264 3.413 1.00 0.00 H new ATOM 279 N VAL A 11 -15.206 3.104 0.669 1.00 0.00 N ATOM 280 CA VAL A 11 -16.096 3.507 -0.446 1.00 0.00 C ATOM 281 C VAL A 11 -17.092 2.391 -0.758 1.00 0.00 C ATOM 282 O VAL A 11 -17.079 1.344 -0.144 1.00 0.00 O ATOM 283 CB VAL A 11 -15.171 3.764 -1.626 1.00 0.00 C ATOM 284 CG1 VAL A 11 -14.262 4.940 -1.295 1.00 0.00 C ATOM 285 CG2 VAL A 11 -14.319 2.530 -1.910 1.00 0.00 C ATOM 0 H VAL A 11 -14.975 2.111 0.705 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.686 4.391 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.770 3.988 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.595 5.132 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.868 5.825 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.672 4.705 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.662 2.728 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.718 2.293 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.968 1.686 -2.144 1.00 0.00 H new ATOM 295 N TYR A 12 -17.957 2.609 -1.707 1.00 0.00 N ATOM 296 CA TYR A 12 -18.958 1.562 -2.059 1.00 0.00 C ATOM 297 C TYR A 12 -18.384 0.628 -3.122 1.00 0.00 C ATOM 298 O TYR A 12 -18.864 -0.467 -3.328 1.00 0.00 O ATOM 299 CB TYR A 12 -20.149 2.332 -2.619 1.00 0.00 C ATOM 300 CG TYR A 12 -21.388 1.985 -1.831 1.00 0.00 C ATOM 301 CD1 TYR A 12 -21.349 1.983 -0.432 1.00 0.00 C ATOM 302 CD2 TYR A 12 -22.574 1.668 -2.500 1.00 0.00 C ATOM 303 CE1 TYR A 12 -22.499 1.661 0.299 1.00 0.00 C ATOM 304 CE2 TYR A 12 -23.725 1.347 -1.770 1.00 0.00 C ATOM 305 CZ TYR A 12 -23.687 1.344 -0.371 1.00 0.00 C ATOM 306 OH TYR A 12 -24.822 1.026 0.348 1.00 0.00 O ATOM 0 H TYR A 12 -18.015 3.467 -2.255 1.00 0.00 H new ATOM 0 HA TYR A 12 -19.234 0.946 -1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.960 3.404 -2.566 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -20.293 2.085 -3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -20.433 2.230 0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -22.602 1.671 -3.580 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -22.470 1.657 1.379 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -24.641 1.102 -2.286 1.00 0.00 H new ATOM 0 HH TYR A 12 -25.558 0.833 -0.270 1.00 0.00 H new ATOM 316 N GLU A 13 -17.360 1.054 -3.801 1.00 0.00 N ATOM 317 CA GLU A 13 -16.753 0.192 -4.850 1.00 0.00 C ATOM 318 C GLU A 13 -15.320 0.669 -5.153 1.00 0.00 C ATOM 319 O GLU A 13 -14.481 0.708 -4.274 1.00 0.00 O ATOM 320 CB GLU A 13 -17.681 0.340 -6.063 1.00 0.00 C ATOM 321 CG GLU A 13 -17.852 1.822 -6.404 1.00 0.00 C ATOM 322 CD GLU A 13 -18.249 1.967 -7.875 1.00 0.00 C ATOM 323 OE1 GLU A 13 -19.416 1.777 -8.175 1.00 0.00 O ATOM 324 OE2 GLU A 13 -17.378 2.266 -8.676 1.00 0.00 O ATOM 0 H GLU A 13 -16.916 1.963 -3.675 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.665 -0.853 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.266 -0.194 -6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.651 -0.108 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.615 2.267 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.923 2.359 -6.213 1.00 0.00 H new ATOM 331 N GLY A 14 -15.024 1.029 -6.375 1.00 0.00 N ATOM 332 CA GLY A 14 -13.649 1.489 -6.704 1.00 0.00 C ATOM 333 C GLY A 14 -13.579 3.011 -6.614 1.00 0.00 C ATOM 334 O GLY A 14 -12.889 3.656 -7.376 1.00 0.00 O ATOM 0 H GLY A 14 -15.678 1.023 -7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.931 1.041 -6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.376 1.162 -7.707 1.00 0.00 H new ATOM 338 N GLU A 15 -14.269 3.593 -5.674 1.00 0.00 N ATOM 339 CA GLU A 15 -14.209 5.071 -5.529 1.00 0.00 C ATOM 340 C GLU A 15 -13.170 5.426 -4.464 1.00 0.00 C ATOM 341 O GLU A 15 -13.012 6.572 -4.093 1.00 0.00 O ATOM 342 CB GLU A 15 -15.608 5.491 -5.074 1.00 0.00 C ATOM 343 CG GLU A 15 -16.654 4.951 -6.051 1.00 0.00 C ATOM 344 CD GLU A 15 -17.485 6.113 -6.600 1.00 0.00 C ATOM 345 OE1 GLU A 15 -16.900 7.135 -6.920 1.00 0.00 O ATOM 346 OE2 GLU A 15 -18.693 5.961 -6.691 1.00 0.00 O ATOM 0 H GLU A 15 -14.868 3.111 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.925 5.574 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.804 5.111 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -15.673 6.578 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.165 4.421 -6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.301 4.233 -5.548 1.00 0.00 H new ATOM 353 N SER A 16 -12.467 4.441 -3.953 1.00 0.00 N ATOM 354 CA SER A 16 -11.451 4.707 -2.899 1.00 0.00 C ATOM 355 C SER A 16 -10.560 5.882 -3.283 1.00 0.00 C ATOM 356 O SER A 16 -10.466 6.264 -4.433 1.00 0.00 O ATOM 357 CB SER A 16 -10.633 3.423 -2.806 1.00 0.00 C ATOM 358 OG SER A 16 -10.584 3.000 -1.449 1.00 0.00 O ATOM 0 H SER A 16 -12.558 3.462 -4.226 1.00 0.00 H new ATOM 0 HA SER A 16 -11.914 4.971 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.081 2.646 -3.426 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.625 3.591 -3.184 1.00 0.00 H new ATOM 0 HG SER A 16 -10.514 2.023 -1.413 1.00 0.00 H new ATOM 364 N ALA A 17 -9.912 6.456 -2.318 1.00 0.00 N ATOM 365 CA ALA A 17 -9.021 7.616 -2.598 1.00 0.00 C ATOM 366 C ALA A 17 -7.604 7.129 -2.907 1.00 0.00 C ATOM 367 O ALA A 17 -7.394 5.985 -3.260 1.00 0.00 O ATOM 368 CB ALA A 17 -9.037 8.442 -1.313 1.00 0.00 C ATOM 0 H ALA A 17 -9.958 6.173 -1.339 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.352 8.196 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.402 9.319 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.057 8.760 -1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.663 7.837 -0.487 1.00 0.00 H new ATOM 374 N ARG A 18 -6.634 7.989 -2.772 1.00 0.00 N ATOM 375 CA ARG A 18 -5.228 7.578 -3.054 1.00 0.00 C ATOM 376 C ARG A 18 -4.438 7.485 -1.746 1.00 0.00 C ATOM 377 O ARG A 18 -4.807 8.064 -0.743 1.00 0.00 O ATOM 378 CB ARG A 18 -4.658 8.677 -3.952 1.00 0.00 C ATOM 379 CG ARG A 18 -4.842 10.040 -3.279 1.00 0.00 C ATOM 380 CD ARG A 18 -3.926 11.069 -3.949 1.00 0.00 C ATOM 381 NE ARG A 18 -4.716 11.598 -5.097 1.00 0.00 N ATOM 382 CZ ARG A 18 -5.040 10.811 -6.086 1.00 0.00 C ATOM 383 NH1 ARG A 18 -4.147 10.486 -6.981 1.00 0.00 N ATOM 384 NH2 ARG A 18 -6.256 10.347 -6.181 1.00 0.00 N ATOM 0 H ARG A 18 -6.752 8.959 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.172 6.600 -3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.600 8.494 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.161 8.667 -4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.882 10.358 -3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.609 9.967 -2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.654 11.866 -3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.997 10.610 -4.287 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.004 12.577 -5.109 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.196 10.847 -6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.400 9.871 -7.754 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.954 10.600 -5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.508 9.732 -6.955 1.00 0.00 H new ATOM 398 N PHE A 19 -3.357 6.756 -1.746 1.00 0.00 N ATOM 399 CA PHE A 19 -2.545 6.622 -0.498 1.00 0.00 C ATOM 400 C PHE A 19 -1.066 6.845 -0.806 1.00 0.00 C ATOM 401 O PHE A 19 -0.624 6.675 -1.924 1.00 0.00 O ATOM 402 CB PHE A 19 -2.775 5.186 -0.016 1.00 0.00 C ATOM 403 CG PHE A 19 -4.255 4.917 0.079 1.00 0.00 C ATOM 404 CD1 PHE A 19 -5.090 5.842 0.713 1.00 0.00 C ATOM 405 CD2 PHE A 19 -4.791 3.753 -0.477 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.465 5.602 0.792 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.165 3.511 -0.398 1.00 0.00 C ATOM 408 CZ PHE A 19 -7.003 4.437 0.236 1.00 0.00 C ATOM 0 H PHE A 19 -2.999 6.247 -2.554 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.832 7.355 0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.310 4.481 -0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.305 5.038 0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.673 6.741 1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.144 3.041 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.111 6.315 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.580 2.610 -0.826 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.065 4.251 0.296 1.00 0.00 H new ATOM 418 N SER A 20 -0.292 7.228 0.172 1.00 0.00 N ATOM 419 CA SER A 20 1.155 7.454 -0.089 1.00 0.00 C ATOM 420 C SER A 20 1.984 7.207 1.172 1.00 0.00 C ATOM 421 O SER A 20 1.825 7.876 2.173 1.00 0.00 O ATOM 422 CB SER A 20 1.255 8.918 -0.510 1.00 0.00 C ATOM 423 OG SER A 20 0.860 9.746 0.575 1.00 0.00 O ATOM 0 H SER A 20 -0.596 7.393 1.132 1.00 0.00 H new ATOM 0 HA SER A 20 1.539 6.775 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.276 9.153 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.618 9.104 -1.375 1.00 0.00 H new ATOM 0 HG SER A 20 1.270 9.418 1.403 1.00 0.00 H new ATOM 429 N CYS A 21 2.887 6.269 1.125 1.00 0.00 N ATOM 430 CA CYS A 21 3.740 6.008 2.310 1.00 0.00 C ATOM 431 C CYS A 21 5.180 6.380 1.973 1.00 0.00 C ATOM 432 O CYS A 21 5.749 5.885 1.026 1.00 0.00 O ATOM 433 CB CYS A 21 3.600 4.513 2.590 1.00 0.00 C ATOM 434 SG CYS A 21 4.160 3.560 1.159 1.00 0.00 S ATOM 0 H CYS A 21 3.069 5.674 0.317 1.00 0.00 H new ATOM 0 HA CYS A 21 3.450 6.592 3.184 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.186 4.243 3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.561 4.272 2.813 1.00 0.00 H new ATOM 0 HG CYS A 21 3.136 3.015 0.573 1.00 0.00 H new ATOM 440 N ASP A 22 5.777 7.266 2.717 1.00 0.00 N ATOM 441 CA ASP A 22 7.173 7.660 2.389 1.00 0.00 C ATOM 442 C ASP A 22 8.150 6.837 3.209 1.00 0.00 C ATOM 443 O ASP A 22 8.340 7.068 4.380 1.00 0.00 O ATOM 444 CB ASP A 22 7.291 9.139 2.748 1.00 0.00 C ATOM 445 CG ASP A 22 6.090 9.920 2.201 1.00 0.00 C ATOM 446 OD1 ASP A 22 5.378 9.371 1.374 1.00 0.00 O ATOM 447 OD2 ASP A 22 5.903 11.051 2.617 1.00 0.00 O ATOM 0 H ASP A 22 5.366 7.729 3.527 1.00 0.00 H new ATOM 0 HA ASP A 22 7.403 7.489 1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.345 9.254 3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.215 9.547 2.338 1.00 0.00 H new ATOM 452 N THR A 23 8.762 5.873 2.604 1.00 0.00 N ATOM 453 CA THR A 23 9.724 5.025 3.352 1.00 0.00 C ATOM 454 C THR A 23 11.156 5.409 2.994 1.00 0.00 C ATOM 455 O THR A 23 11.508 5.551 1.840 1.00 0.00 O ATOM 456 CB THR A 23 9.427 3.593 2.913 1.00 0.00 C ATOM 457 OG1 THR A 23 9.866 3.409 1.574 1.00 0.00 O ATOM 458 CG2 THR A 23 7.923 3.330 3.003 1.00 0.00 C ATOM 0 H THR A 23 8.641 5.631 1.621 1.00 0.00 H new ATOM 0 HA THR A 23 9.623 5.146 4.431 1.00 0.00 H new ATOM 0 HB THR A 23 9.953 2.896 3.566 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.466 4.142 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.713 2.307 2.689 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.590 3.470 4.031 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.392 4.025 2.352 1.00 0.00 H new ATOM 466 N ASP A 24 11.983 5.567 3.981 1.00 0.00 N ATOM 467 CA ASP A 24 13.404 5.934 3.715 1.00 0.00 C ATOM 468 C ASP A 24 14.275 4.681 3.781 1.00 0.00 C ATOM 469 O ASP A 24 13.832 3.636 4.217 1.00 0.00 O ATOM 470 CB ASP A 24 13.778 6.911 4.830 1.00 0.00 C ATOM 471 CG ASP A 24 15.109 7.588 4.496 1.00 0.00 C ATOM 472 OD1 ASP A 24 15.401 7.730 3.319 1.00 0.00 O ATOM 473 OD2 ASP A 24 15.811 7.957 5.422 1.00 0.00 O ATOM 0 H ASP A 24 11.740 5.459 4.966 1.00 0.00 H new ATOM 0 HA ASP A 24 13.547 6.377 2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.996 7.662 4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.856 6.382 5.780 1.00 0.00 H new ATOM 478 N GLY A 25 15.504 4.766 3.355 1.00 0.00 N ATOM 479 CA GLY A 25 16.376 3.561 3.404 1.00 0.00 C ATOM 480 C GLY A 25 17.455 3.635 2.320 1.00 0.00 C ATOM 481 O GLY A 25 17.371 4.416 1.395 1.00 0.00 O ATOM 0 H GLY A 25 15.939 5.609 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.843 3.483 4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.774 2.663 3.265 1.00 0.00 H new ATOM 485 N GLU A 26 18.468 2.815 2.425 1.00 0.00 N ATOM 486 CA GLU A 26 19.552 2.821 1.398 1.00 0.00 C ATOM 487 C GLU A 26 19.842 1.378 0.939 1.00 0.00 C ATOM 488 O GLU A 26 19.813 0.474 1.751 1.00 0.00 O ATOM 489 CB GLU A 26 20.769 3.416 2.111 1.00 0.00 C ATOM 490 CG GLU A 26 21.133 4.772 1.491 1.00 0.00 C ATOM 491 CD GLU A 26 19.899 5.677 1.430 1.00 0.00 C ATOM 492 OE1 GLU A 26 19.441 6.094 2.481 1.00 0.00 O ATOM 493 OE2 GLU A 26 19.433 5.936 0.331 1.00 0.00 O ATOM 0 H GLU A 26 18.592 2.140 3.179 1.00 0.00 H new ATOM 0 HA GLU A 26 19.285 3.393 0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.554 3.539 3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.615 2.733 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 26 21.915 5.251 2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.535 4.625 0.488 1.00 0.00 H new ATOM 500 N PRO A 27 20.109 1.180 -0.343 1.00 0.00 N ATOM 501 CA PRO A 27 20.146 2.285 -1.348 1.00 0.00 C ATOM 502 C PRO A 27 18.740 2.805 -1.628 1.00 0.00 C ATOM 503 O PRO A 27 18.481 3.992 -1.594 1.00 0.00 O ATOM 504 CB PRO A 27 20.728 1.622 -2.592 1.00 0.00 C ATOM 505 CG PRO A 27 20.408 0.172 -2.441 1.00 0.00 C ATOM 506 CD PRO A 27 20.388 -0.121 -0.964 1.00 0.00 C ATOM 0 HA PRO A 27 20.728 3.143 -1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.287 2.031 -3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 27 21.804 1.784 -2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.444 -0.060 -2.894 1.00 0.00 H new ATOM 0 HG3 PRO A 27 21.153 -0.442 -2.946 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.621 -0.854 -0.714 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.341 -0.528 -0.626 1.00 0.00 H new ATOM 514 N VAL A 28 17.838 1.918 -1.890 1.00 0.00 N ATOM 515 CA VAL A 28 16.437 2.323 -2.163 1.00 0.00 C ATOM 516 C VAL A 28 15.486 1.322 -1.492 1.00 0.00 C ATOM 517 O VAL A 28 15.626 0.131 -1.674 1.00 0.00 O ATOM 518 CB VAL A 28 16.314 2.292 -3.689 1.00 0.00 C ATOM 519 CG1 VAL A 28 14.842 2.325 -4.097 1.00 0.00 C ATOM 520 CG2 VAL A 28 17.023 3.515 -4.274 1.00 0.00 C ATOM 0 H VAL A 28 18.010 0.913 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 28 16.182 3.308 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 28 16.770 1.377 -4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.765 2.303 -5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.329 1.459 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.380 3.237 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.939 3.499 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.560 4.423 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.075 3.495 -3.991 1.00 0.00 H new ATOM 530 N PRO A 29 14.553 1.834 -0.728 1.00 0.00 N ATOM 531 CA PRO A 29 13.593 0.954 -0.016 1.00 0.00 C ATOM 532 C PRO A 29 12.671 0.253 -1.016 1.00 0.00 C ATOM 533 O PRO A 29 12.650 0.572 -2.188 1.00 0.00 O ATOM 534 CB PRO A 29 12.807 1.925 0.864 1.00 0.00 C ATOM 535 CG PRO A 29 12.930 3.241 0.175 1.00 0.00 C ATOM 536 CD PRO A 29 14.290 3.254 -0.463 1.00 0.00 C ATOM 0 HA PRO A 29 14.076 0.162 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.764 1.622 0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.217 1.966 1.873 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.147 3.363 -0.574 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.824 4.063 0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.298 3.843 -1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.041 3.685 0.199 1.00 0.00 H new ATOM 544 N THR A 30 11.906 -0.695 -0.557 1.00 0.00 N ATOM 545 CA THR A 30 10.977 -1.418 -1.474 1.00 0.00 C ATOM 546 C THR A 30 9.584 -1.470 -0.849 1.00 0.00 C ATOM 547 O THR A 30 9.445 -1.631 0.345 1.00 0.00 O ATOM 548 CB THR A 30 11.553 -2.828 -1.610 1.00 0.00 C ATOM 549 OG1 THR A 30 12.969 -2.777 -1.494 1.00 0.00 O ATOM 550 CG2 THR A 30 11.170 -3.407 -2.972 1.00 0.00 C ATOM 0 H THR A 30 11.882 -1.003 0.415 1.00 0.00 H new ATOM 0 HA THR A 30 10.886 -0.929 -2.444 1.00 0.00 H new ATOM 0 HB THR A 30 11.149 -3.462 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.222 -2.823 -0.548 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.581 -4.412 -3.069 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.084 -3.449 -3.057 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.572 -2.773 -3.763 1.00 0.00 H new ATOM 558 N VAL A 31 8.553 -1.331 -1.635 1.00 0.00 N ATOM 559 CA VAL A 31 7.181 -1.367 -1.057 1.00 0.00 C ATOM 560 C VAL A 31 6.383 -2.561 -1.598 1.00 0.00 C ATOM 561 O VAL A 31 6.514 -2.952 -2.740 1.00 0.00 O ATOM 562 CB VAL A 31 6.541 -0.025 -1.461 1.00 0.00 C ATOM 563 CG1 VAL A 31 6.031 -0.074 -2.900 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.368 0.289 -0.531 1.00 0.00 C ATOM 0 H VAL A 31 8.600 -1.195 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 31 7.196 -1.493 0.026 1.00 0.00 H new ATOM 0 HB VAL A 31 7.303 0.751 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.584 0.885 -3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.862 -0.282 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.282 -0.861 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.918 1.239 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.623 -0.503 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.726 0.355 0.496 1.00 0.00 H new ATOM 574 N THR A 32 5.545 -3.126 -0.781 1.00 0.00 N ATOM 575 CA THR A 32 4.715 -4.269 -1.232 1.00 0.00 C ATOM 576 C THR A 32 3.378 -4.198 -0.513 1.00 0.00 C ATOM 577 O THR A 32 3.292 -4.411 0.670 1.00 0.00 O ATOM 578 CB THR A 32 5.475 -5.530 -0.829 1.00 0.00 C ATOM 579 OG1 THR A 32 6.842 -5.397 -1.193 1.00 0.00 O ATOM 580 CG2 THR A 32 4.864 -6.742 -1.543 1.00 0.00 C ATOM 0 H THR A 32 5.399 -2.842 0.188 1.00 0.00 H new ATOM 0 HA THR A 32 4.531 -4.260 -2.306 1.00 0.00 H new ATOM 0 HB THR A 32 5.403 -5.672 0.249 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.330 -6.206 -0.933 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.405 -7.644 -1.257 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.816 -6.842 -1.259 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.936 -6.603 -2.622 1.00 0.00 H new ATOM 588 N TRP A 33 2.338 -3.892 -1.213 1.00 0.00 N ATOM 589 CA TRP A 33 1.007 -3.790 -0.547 1.00 0.00 C ATOM 590 C TRP A 33 0.361 -5.170 -0.498 1.00 0.00 C ATOM 591 O TRP A 33 0.112 -5.779 -1.512 1.00 0.00 O ATOM 592 CB TRP A 33 0.197 -2.835 -1.421 1.00 0.00 C ATOM 593 CG TRP A 33 0.932 -1.546 -1.564 1.00 0.00 C ATOM 594 CD1 TRP A 33 1.939 -1.337 -2.427 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.742 -0.300 -0.848 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.398 -0.040 -2.280 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.688 0.641 -1.314 1.00 0.00 C ATOM 598 CE3 TRP A 33 -0.148 0.094 0.156 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.750 1.936 -0.800 1.00 0.00 C ATOM 600 CZ3 TRP A 33 -0.096 1.398 0.680 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.855 2.317 0.203 1.00 0.00 C ATOM 0 H TRP A 33 2.341 -3.707 -2.216 1.00 0.00 H new ATOM 0 HA TRP A 33 1.071 -3.428 0.479 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.026 -3.279 -2.402 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.782 -2.660 -0.976 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.328 -2.064 -3.124 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.165 0.362 -2.819 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.879 -0.607 0.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.482 2.637 -1.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.790 1.695 1.453 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.894 3.316 0.611 1.00 0.00 H new ATOM 612 N LEU A 34 0.110 -5.680 0.678 1.00 0.00 N ATOM 613 CA LEU A 34 -0.518 -7.031 0.779 1.00 0.00 C ATOM 614 C LEU A 34 -1.259 -7.190 2.104 1.00 0.00 C ATOM 615 O LEU A 34 -0.879 -6.633 3.116 1.00 0.00 O ATOM 616 CB LEU A 34 0.627 -8.040 0.643 1.00 0.00 C ATOM 617 CG LEU A 34 1.543 -7.992 1.865 1.00 0.00 C ATOM 618 CD1 LEU A 34 2.007 -9.411 2.192 1.00 0.00 C ATOM 619 CD2 LEU A 34 2.755 -7.117 1.550 1.00 0.00 C ATOM 0 H LEU A 34 0.311 -5.224 1.568 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.265 -7.186 0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.220 -9.045 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.203 -7.824 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 34 1.007 -7.575 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.662 -9.388 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.141 -10.037 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.550 -9.821 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.412 -7.079 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.297 -7.538 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.422 -6.109 1.303 1.00 0.00 H new ATOM 631 N ARG A 35 -2.310 -7.952 2.108 1.00 0.00 N ATOM 632 CA ARG A 35 -3.066 -8.157 3.367 1.00 0.00 C ATOM 633 C ARG A 35 -3.963 -9.391 3.255 1.00 0.00 C ATOM 634 O ARG A 35 -4.141 -10.137 4.199 1.00 0.00 O ATOM 635 CB ARG A 35 -3.902 -6.900 3.526 1.00 0.00 C ATOM 636 CG ARG A 35 -4.771 -7.030 4.772 1.00 0.00 C ATOM 637 CD ARG A 35 -3.897 -6.934 6.023 1.00 0.00 C ATOM 638 NE ARG A 35 -4.646 -7.680 7.069 1.00 0.00 N ATOM 639 CZ ARG A 35 -4.032 -8.560 7.810 1.00 0.00 C ATOM 640 NH1 ARG A 35 -3.886 -9.785 7.383 1.00 0.00 N ATOM 641 NH2 ARG A 35 -3.556 -8.212 8.974 1.00 0.00 N ATOM 0 H ARG A 35 -2.679 -8.442 1.293 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.410 -8.324 4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.255 -6.027 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.527 -6.751 2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.527 -6.244 4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.301 -7.982 4.759 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.913 -7.372 5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.738 -5.896 6.315 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.641 -7.503 7.207 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.252 -10.054 6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.406 -10.473 7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.664 -7.253 9.303 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.076 -8.899 9.555 1.00 0.00 H new ATOM 655 N LYS A 36 -4.535 -9.596 2.102 1.00 0.00 N ATOM 656 CA LYS A 36 -5.439 -10.769 1.894 1.00 0.00 C ATOM 657 C LYS A 36 -5.969 -10.801 0.452 1.00 0.00 C ATOM 658 O LYS A 36 -6.333 -11.843 -0.056 1.00 0.00 O ATOM 659 CB LYS A 36 -6.598 -10.571 2.874 1.00 0.00 C ATOM 660 CG LYS A 36 -7.114 -11.935 3.333 1.00 0.00 C ATOM 661 CD LYS A 36 -8.004 -11.759 4.565 1.00 0.00 C ATOM 662 CE LYS A 36 -7.348 -12.438 5.770 1.00 0.00 C ATOM 663 NZ LYS A 36 -6.434 -11.409 6.341 1.00 0.00 N ATOM 0 H LYS A 36 -4.416 -8.997 1.285 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.915 -11.710 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.267 -9.987 3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.400 -10.008 2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.677 -12.411 2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.276 -12.592 3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.155 -10.699 4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.987 -12.192 4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.094 -12.753 6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.799 -13.331 5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.897 -11.821 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.774 -11.084 5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.992 -10.602 6.686 1.00 0.00 H new ATOM 677 N GLY A 37 -6.034 -9.670 -0.208 1.00 0.00 N ATOM 678 CA GLY A 37 -6.556 -9.643 -1.604 1.00 0.00 C ATOM 679 C GLY A 37 -5.460 -10.020 -2.615 1.00 0.00 C ATOM 680 O GLY A 37 -5.381 -9.453 -3.688 1.00 0.00 O ATOM 0 H GLY A 37 -5.747 -8.764 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.393 -10.336 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.939 -8.648 -1.833 1.00 0.00 H new ATOM 684 N GLN A 38 -4.622 -10.976 -2.301 1.00 0.00 N ATOM 685 CA GLN A 38 -3.555 -11.379 -3.266 1.00 0.00 C ATOM 686 C GLN A 38 -2.765 -10.154 -3.735 1.00 0.00 C ATOM 687 O GLN A 38 -3.157 -9.483 -4.667 1.00 0.00 O ATOM 688 CB GLN A 38 -4.308 -12.011 -4.437 1.00 0.00 C ATOM 689 CG GLN A 38 -3.448 -13.106 -5.070 1.00 0.00 C ATOM 690 CD GLN A 38 -2.842 -12.588 -6.376 1.00 0.00 C ATOM 691 OE1 GLN A 38 -3.556 -12.290 -7.313 1.00 0.00 O ATOM 692 NE2 GLN A 38 -1.547 -12.466 -6.477 1.00 0.00 N ATOM 0 H GLN A 38 -4.631 -11.493 -1.422 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.834 -12.064 -2.821 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.252 -12.431 -4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.550 -11.251 -5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.656 -13.404 -4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.053 -13.992 -5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.948 -12.716 -5.690 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.133 -12.120 -7.343 1.00 0.00 H new ATOM 701 N VAL A 39 -1.655 -9.877 -3.084 1.00 0.00 N ATOM 702 CA VAL A 39 -0.778 -8.699 -3.434 1.00 0.00 C ATOM 703 C VAL A 39 -1.559 -7.547 -4.088 1.00 0.00 C ATOM 704 O VAL A 39 -1.861 -7.554 -5.266 1.00 0.00 O ATOM 705 CB VAL A 39 0.318 -9.237 -4.363 1.00 0.00 C ATOM 706 CG1 VAL A 39 0.983 -10.453 -3.711 1.00 0.00 C ATOM 707 CG2 VAL A 39 -0.272 -9.642 -5.719 1.00 0.00 C ATOM 0 H VAL A 39 -1.309 -10.433 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.354 -8.266 -2.528 1.00 0.00 H new ATOM 0 HB VAL A 39 1.056 -8.452 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.762 -10.838 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.424 -10.159 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.236 -11.229 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.522 -10.021 -6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.022 -10.419 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.736 -8.774 -6.188 1.00 0.00 H new ATOM 717 N LEU A 40 -1.863 -6.550 -3.303 1.00 0.00 N ATOM 718 CA LEU A 40 -2.606 -5.346 -3.794 1.00 0.00 C ATOM 719 C LEU A 40 -2.022 -4.898 -5.133 1.00 0.00 C ATOM 720 O LEU A 40 -2.705 -4.370 -5.984 1.00 0.00 O ATOM 721 CB LEU A 40 -2.337 -4.266 -2.733 1.00 0.00 C ATOM 722 CG LEU A 40 -3.455 -4.209 -1.682 1.00 0.00 C ATOM 723 CD1 LEU A 40 -3.437 -5.462 -0.811 1.00 0.00 C ATOM 724 CD2 LEU A 40 -3.220 -3.006 -0.771 1.00 0.00 C ATOM 0 H LEU A 40 -1.622 -6.516 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.669 -5.539 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.386 -4.469 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.244 -3.294 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.412 -4.134 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.236 -5.403 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.585 -6.342 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.477 -5.537 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.010 -2.958 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.255 -3.108 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.228 -2.092 -1.365 1.00 0.00 H new ATOM 736 N SER A 41 -0.747 -5.109 -5.295 1.00 0.00 N ATOM 737 CA SER A 41 -0.042 -4.708 -6.550 1.00 0.00 C ATOM 738 C SER A 41 -0.870 -5.023 -7.796 1.00 0.00 C ATOM 739 O SER A 41 -0.772 -6.099 -8.352 1.00 0.00 O ATOM 740 CB SER A 41 1.233 -5.540 -6.553 1.00 0.00 C ATOM 741 OG SER A 41 0.904 -6.891 -6.255 1.00 0.00 O ATOM 0 H SER A 41 -0.149 -5.552 -4.597 1.00 0.00 H new ATOM 0 HA SER A 41 0.143 -3.634 -6.574 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.722 -5.477 -7.525 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.937 -5.153 -5.817 1.00 0.00 H new ATOM 0 HG SER A 41 1.686 -7.460 -6.412 1.00 0.00 H new ATOM 747 N THR A 42 -1.650 -4.064 -8.243 1.00 0.00 N ATOM 748 CA THR A 42 -2.497 -4.211 -9.474 1.00 0.00 C ATOM 749 C THR A 42 -2.854 -5.674 -9.769 1.00 0.00 C ATOM 750 O THR A 42 -2.763 -6.133 -10.890 1.00 0.00 O ATOM 751 CB THR A 42 -1.640 -3.627 -10.597 1.00 0.00 C ATOM 752 OG1 THR A 42 -0.586 -4.527 -10.906 1.00 0.00 O ATOM 753 CG2 THR A 42 -1.054 -2.276 -10.167 1.00 0.00 C ATOM 0 H THR A 42 -1.737 -3.155 -7.789 1.00 0.00 H new ATOM 0 HA THR A 42 -3.454 -3.703 -9.359 1.00 0.00 H new ATOM 0 HB THR A 42 -2.263 -3.477 -11.479 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.038 -4.153 -11.627 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.445 -1.870 -10.975 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.865 -1.584 -9.940 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.435 -2.414 -9.280 1.00 0.00 H new ATOM 761 N SER A 43 -3.252 -6.406 -8.767 1.00 0.00 N ATOM 762 CA SER A 43 -3.610 -7.839 -8.981 1.00 0.00 C ATOM 763 C SER A 43 -4.588 -7.975 -10.151 1.00 0.00 C ATOM 764 O SER A 43 -4.317 -8.647 -11.126 1.00 0.00 O ATOM 765 CB SER A 43 -4.265 -8.274 -7.676 1.00 0.00 C ATOM 766 OG SER A 43 -3.757 -9.546 -7.299 1.00 0.00 O ATOM 0 H SER A 43 -3.346 -6.075 -7.807 1.00 0.00 H new ATOM 0 HA SER A 43 -2.743 -8.452 -9.228 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.064 -7.543 -6.893 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.347 -8.323 -7.797 1.00 0.00 H new ATOM 0 HG SER A 43 -3.593 -9.559 -6.333 1.00 0.00 H new ATOM 772 N ALA A 44 -5.718 -7.335 -10.058 1.00 0.00 N ATOM 773 CA ALA A 44 -6.719 -7.412 -11.162 1.00 0.00 C ATOM 774 C ALA A 44 -7.786 -6.333 -10.970 1.00 0.00 C ATOM 775 O ALA A 44 -8.922 -6.489 -11.369 1.00 0.00 O ATOM 776 CB ALA A 44 -7.332 -8.808 -11.048 1.00 0.00 C ATOM 0 H ALA A 44 -5.995 -6.759 -9.263 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.273 -7.249 -12.143 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.081 -8.942 -11.829 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.550 -9.559 -11.162 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.803 -8.920 -10.071 1.00 0.00 H new ATOM 782 N ARG A 45 -7.413 -5.236 -10.363 1.00 0.00 N ATOM 783 CA ARG A 45 -8.382 -4.117 -10.125 1.00 0.00 C ATOM 784 C ARG A 45 -7.704 -2.998 -9.331 1.00 0.00 C ATOM 785 O ARG A 45 -8.044 -1.837 -9.456 1.00 0.00 O ATOM 786 CB ARG A 45 -9.531 -4.715 -9.306 1.00 0.00 C ATOM 787 CG ARG A 45 -8.980 -5.408 -8.055 1.00 0.00 C ATOM 788 CD ARG A 45 -9.781 -6.683 -7.783 1.00 0.00 C ATOM 789 NE ARG A 45 -8.757 -7.736 -7.540 1.00 0.00 N ATOM 790 CZ ARG A 45 -9.106 -8.871 -7.001 1.00 0.00 C ATOM 791 NH1 ARG A 45 -9.639 -8.893 -5.810 1.00 0.00 N ATOM 792 NH2 ARG A 45 -8.919 -9.988 -7.652 1.00 0.00 N ATOM 0 H ARG A 45 -6.469 -5.063 -10.017 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.738 -3.692 -11.063 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.230 -3.930 -9.018 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.087 -5.430 -9.913 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.927 -5.651 -8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.042 -4.737 -7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.435 -6.562 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.417 -6.938 -8.631 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.783 -7.570 -7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.783 -8.022 -5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.912 -9.781 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.500 -9.972 -8.582 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.192 -10.876 -7.230 1.00 0.00 H new ATOM 806 N HIS A 46 -6.751 -3.341 -8.508 1.00 0.00 N ATOM 807 CA HIS A 46 -6.049 -2.308 -7.696 1.00 0.00 C ATOM 808 C HIS A 46 -5.105 -1.499 -8.592 1.00 0.00 C ATOM 809 O HIS A 46 -4.877 -1.841 -9.735 1.00 0.00 O ATOM 810 CB HIS A 46 -5.226 -3.077 -6.648 1.00 0.00 C ATOM 811 CG HIS A 46 -5.976 -4.274 -6.109 1.00 0.00 C ATOM 812 ND1 HIS A 46 -5.944 -5.603 -6.454 1.00 0.00 N flip ATOM 813 CD2 HIS A 46 -6.883 -4.179 -5.065 1.00 0.00 C flip ATOM 814 CE1 HIS A 46 -6.811 -6.322 -5.640 1.00 0.00 C flip ATOM 815 NE2 HIS A 46 -7.351 -5.418 -4.821 1.00 0.00 N flip ATOM 0 H HIS A 46 -6.427 -4.297 -8.363 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.754 -1.618 -7.231 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.288 -3.407 -7.094 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.970 -2.409 -5.826 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.163 -3.276 -4.543 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.006 -7.384 -5.665 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.035 -5.638 -4.098 1.00 0.00 H new ATOM 823 N GLN A 47 -4.544 -0.440 -8.078 1.00 0.00 N ATOM 824 CA GLN A 47 -3.601 0.380 -8.892 1.00 0.00 C ATOM 825 C GLN A 47 -2.496 0.929 -7.987 1.00 0.00 C ATOM 826 O GLN A 47 -2.644 1.970 -7.380 1.00 0.00 O ATOM 827 CB GLN A 47 -4.454 1.516 -9.462 1.00 0.00 C ATOM 828 CG GLN A 47 -3.553 2.532 -10.173 1.00 0.00 C ATOM 829 CD GLN A 47 -2.762 1.831 -11.278 1.00 0.00 C ATOM 830 OE1 GLN A 47 -3.332 1.184 -12.134 1.00 0.00 O ATOM 831 NE2 GLN A 47 -1.460 1.933 -11.296 1.00 0.00 N ATOM 0 H GLN A 47 -4.698 -0.105 -7.127 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.117 -0.191 -9.684 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.189 1.116 -10.160 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.008 2.005 -8.661 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.157 3.334 -10.597 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.870 2.991 -9.458 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.981 2.476 -10.578 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.922 1.470 -12.028 1.00 0.00 H new ATOM 840 N VAL A 48 -1.396 0.234 -7.873 1.00 0.00 N ATOM 841 CA VAL A 48 -0.307 0.730 -6.986 1.00 0.00 C ATOM 842 C VAL A 48 0.876 1.257 -7.813 1.00 0.00 C ATOM 843 O VAL A 48 1.028 0.951 -8.978 1.00 0.00 O ATOM 844 CB VAL A 48 0.083 -0.482 -6.103 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.463 -1.053 -6.475 1.00 0.00 C ATOM 846 CG2 VAL A 48 0.111 -0.041 -4.642 1.00 0.00 C ATOM 0 H VAL A 48 -1.206 -0.647 -8.351 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.624 1.572 -6.371 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.658 -1.264 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.692 -1.900 -5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.453 -1.381 -7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.223 -0.282 -6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.385 -0.887 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.843 0.757 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.875 0.323 -4.353 1.00 0.00 H new ATOM 856 N THR A 49 1.714 2.034 -7.192 1.00 0.00 N ATOM 857 CA THR A 49 2.910 2.587 -7.894 1.00 0.00 C ATOM 858 C THR A 49 4.022 2.841 -6.871 1.00 0.00 C ATOM 859 O THR A 49 3.802 2.750 -5.680 1.00 0.00 O ATOM 860 CB THR A 49 2.437 3.897 -8.528 1.00 0.00 C ATOM 861 OG1 THR A 49 3.555 4.595 -9.063 1.00 0.00 O ATOM 862 CG2 THR A 49 1.750 4.760 -7.471 1.00 0.00 C ATOM 0 H THR A 49 1.623 2.315 -6.216 1.00 0.00 H new ATOM 0 HA THR A 49 3.310 1.909 -8.647 1.00 0.00 H new ATOM 0 HB THR A 49 1.730 3.678 -9.328 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.253 5.433 -9.471 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.414 5.692 -7.925 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.892 4.224 -7.065 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.453 4.980 -6.668 1.00 0.00 H new ATOM 870 N THR A 50 5.209 3.162 -7.309 1.00 0.00 N ATOM 871 CA THR A 50 6.311 3.416 -6.331 1.00 0.00 C ATOM 872 C THR A 50 7.130 4.645 -6.745 1.00 0.00 C ATOM 873 O THR A 50 7.047 5.111 -7.864 1.00 0.00 O ATOM 874 CB THR A 50 7.176 2.156 -6.374 1.00 0.00 C ATOM 875 OG1 THR A 50 7.571 1.900 -7.714 1.00 0.00 O ATOM 876 CG2 THR A 50 6.374 0.967 -5.841 1.00 0.00 C ATOM 0 H THR A 50 5.464 3.259 -8.292 1.00 0.00 H new ATOM 0 HA THR A 50 5.930 3.619 -5.330 1.00 0.00 H new ATOM 0 HB THR A 50 8.062 2.301 -5.755 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.127 1.094 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.991 0.069 -5.872 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.071 1.164 -4.813 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.488 0.820 -6.458 1.00 0.00 H new ATOM 884 N THR A 51 7.925 5.172 -5.848 1.00 0.00 N ATOM 885 CA THR A 51 8.754 6.368 -6.187 1.00 0.00 C ATOM 886 C THR A 51 10.085 6.327 -5.434 1.00 0.00 C ATOM 887 O THR A 51 10.500 7.295 -4.830 1.00 0.00 O ATOM 888 CB THR A 51 7.941 7.569 -5.729 1.00 0.00 C ATOM 889 OG1 THR A 51 6.585 7.403 -6.115 1.00 0.00 O ATOM 890 CG2 THR A 51 8.510 8.841 -6.358 1.00 0.00 C ATOM 0 H THR A 51 8.036 4.825 -4.895 1.00 0.00 H new ATOM 0 HA THR A 51 8.983 6.407 -7.252 1.00 0.00 H new ATOM 0 HB THR A 51 7.994 7.651 -4.643 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.083 6.995 -5.379 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.927 9.701 -6.030 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.548 8.967 -6.049 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.461 8.763 -7.444 1.00 0.00 H new ATOM 898 N LYS A 52 10.750 5.208 -5.474 1.00 0.00 N ATOM 899 CA LYS A 52 12.071 5.048 -4.778 1.00 0.00 C ATOM 900 C LYS A 52 11.897 5.040 -3.256 1.00 0.00 C ATOM 901 O LYS A 52 11.862 3.993 -2.641 1.00 0.00 O ATOM 902 CB LYS A 52 12.949 6.227 -5.222 1.00 0.00 C ATOM 903 CG LYS A 52 14.134 5.702 -6.035 1.00 0.00 C ATOM 904 CD LYS A 52 14.485 6.708 -7.133 1.00 0.00 C ATOM 905 CE LYS A 52 15.914 7.214 -6.928 1.00 0.00 C ATOM 906 NZ LYS A 52 16.273 7.880 -8.212 1.00 0.00 N ATOM 0 H LYS A 52 10.432 4.375 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 52 12.533 4.096 -5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.364 6.925 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.306 6.776 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.994 5.543 -5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.886 4.737 -6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.391 6.240 -8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.786 7.544 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.970 7.911 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.596 6.393 -6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.241 8.254 -8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.217 7.190 -8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.611 8.661 -8.395 1.00 0.00 H new ATOM 920 N TYR A 53 11.800 6.186 -2.633 1.00 0.00 N ATOM 921 CA TYR A 53 11.644 6.197 -1.146 1.00 0.00 C ATOM 922 C TYR A 53 10.207 6.505 -0.737 1.00 0.00 C ATOM 923 O TYR A 53 9.934 6.775 0.413 1.00 0.00 O ATOM 924 CB TYR A 53 12.566 7.300 -0.641 1.00 0.00 C ATOM 925 CG TYR A 53 13.973 7.081 -1.145 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.804 6.137 -0.528 1.00 0.00 C ATOM 927 CD2 TYR A 53 14.452 7.834 -2.223 1.00 0.00 C ATOM 928 CE1 TYR A 53 16.112 5.951 -0.990 1.00 0.00 C ATOM 929 CE2 TYR A 53 15.759 7.645 -2.687 1.00 0.00 C ATOM 930 CZ TYR A 53 16.590 6.703 -2.068 1.00 0.00 C ATOM 931 OH TYR A 53 17.882 6.517 -2.518 1.00 0.00 O ATOM 0 H TYR A 53 11.821 7.102 -3.080 1.00 0.00 H new ATOM 0 HA TYR A 53 11.891 5.222 -0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.200 8.271 -0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.562 7.316 0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 53 14.436 5.554 0.303 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.812 8.563 -2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.754 5.225 -0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 53 16.126 8.225 -3.521 1.00 0.00 H new ATOM 0 HH TYR A 53 18.201 5.633 -2.239 1.00 0.00 H new ATOM 941 N LYS A 54 9.290 6.476 -1.655 1.00 0.00 N ATOM 942 CA LYS A 54 7.870 6.772 -1.286 1.00 0.00 C ATOM 943 C LYS A 54 6.909 6.060 -2.241 1.00 0.00 C ATOM 944 O LYS A 54 6.857 6.353 -3.416 1.00 0.00 O ATOM 945 CB LYS A 54 7.679 8.306 -1.358 1.00 0.00 C ATOM 946 CG LYS A 54 8.785 8.985 -2.185 1.00 0.00 C ATOM 947 CD LYS A 54 8.555 10.498 -2.201 1.00 0.00 C ATOM 948 CE LYS A 54 7.324 10.820 -3.051 1.00 0.00 C ATOM 949 NZ LYS A 54 7.855 11.529 -4.248 1.00 0.00 N ATOM 0 H LYS A 54 9.452 6.263 -2.639 1.00 0.00 H new ATOM 0 HA LYS A 54 7.653 6.412 -0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.707 8.530 -1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.675 8.719 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.763 8.760 -1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.784 8.596 -3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.414 10.866 -1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.431 11.005 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.792 9.912 -3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.619 11.445 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.136 11.528 -5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.089 12.510 -3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.711 11.045 -4.587 1.00 0.00 H new ATOM 963 N SER A 55 6.133 5.136 -1.749 1.00 0.00 N ATOM 964 CA SER A 55 5.176 4.435 -2.644 1.00 0.00 C ATOM 965 C SER A 55 3.808 5.089 -2.552 1.00 0.00 C ATOM 966 O SER A 55 3.574 5.954 -1.736 1.00 0.00 O ATOM 967 CB SER A 55 5.093 2.996 -2.143 1.00 0.00 C ATOM 968 OG SER A 55 4.657 2.174 -3.209 1.00 0.00 O ATOM 0 H SER A 55 6.120 4.838 -0.773 1.00 0.00 H new ATOM 0 HA SER A 55 5.502 4.478 -3.683 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.066 2.664 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.401 2.926 -1.304 1.00 0.00 H new ATOM 0 HG SER A 55 4.506 2.724 -4.006 1.00 0.00 H new ATOM 974 N THR A 56 2.907 4.680 -3.383 1.00 0.00 N ATOM 975 CA THR A 56 1.549 5.268 -3.349 1.00 0.00 C ATOM 976 C THR A 56 0.540 4.240 -3.840 1.00 0.00 C ATOM 977 O THR A 56 0.726 3.615 -4.868 1.00 0.00 O ATOM 978 CB THR A 56 1.623 6.474 -4.281 1.00 0.00 C ATOM 979 OG1 THR A 56 2.477 6.173 -5.374 1.00 0.00 O ATOM 980 CG2 THR A 56 2.193 7.660 -3.517 1.00 0.00 C ATOM 0 H THR A 56 3.051 3.959 -4.090 1.00 0.00 H new ATOM 0 HA THR A 56 1.232 5.563 -2.349 1.00 0.00 H new ATOM 0 HB THR A 56 0.626 6.714 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.425 6.892 -6.037 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.249 8.525 -4.177 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.548 7.891 -2.670 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.192 7.414 -3.156 1.00 0.00 H new ATOM 988 N PHE A 57 -0.513 4.038 -3.106 1.00 0.00 N ATOM 989 CA PHE A 57 -1.513 3.027 -3.531 1.00 0.00 C ATOM 990 C PHE A 57 -2.905 3.641 -3.655 1.00 0.00 C ATOM 991 O PHE A 57 -3.438 4.199 -2.721 1.00 0.00 O ATOM 992 CB PHE A 57 -1.491 1.962 -2.433 1.00 0.00 C ATOM 993 CG PHE A 57 -2.589 0.953 -2.676 1.00 0.00 C ATOM 994 CD1 PHE A 57 -2.817 0.467 -3.969 1.00 0.00 C ATOM 995 CD2 PHE A 57 -3.378 0.506 -1.611 1.00 0.00 C ATOM 996 CE1 PHE A 57 -3.830 -0.468 -4.198 1.00 0.00 C ATOM 997 CE2 PHE A 57 -4.394 -0.429 -1.839 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.619 -0.917 -3.133 1.00 0.00 C ATOM 0 H PHE A 57 -0.724 4.526 -2.235 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.275 2.615 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.522 1.462 -2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.624 2.430 -1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.209 0.815 -4.791 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.203 0.882 -0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.004 -0.844 -5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.004 -0.774 -1.018 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.402 -1.640 -3.309 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.507 3.509 -4.800 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.877 4.052 -4.988 1.00 0.00 C ATOM 1010 C GLU A 58 -5.784 2.941 -5.531 1.00 0.00 C ATOM 1011 O GLU A 58 -5.366 2.137 -6.343 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.725 5.196 -6.000 1.00 0.00 C ATOM 1013 CG GLU A 58 -4.376 4.643 -7.388 1.00 0.00 C ATOM 1014 CD GLU A 58 -5.588 4.783 -8.316 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -6.370 5.695 -8.103 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -5.713 3.978 -9.223 1.00 0.00 O ATOM 0 H GLU A 58 -3.108 3.047 -5.617 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.326 4.412 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.651 5.768 -6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.945 5.881 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.524 5.182 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.083 3.596 -7.311 1.00 0.00 H new ATOM 1023 N ILE A 59 -7.010 2.871 -5.096 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.900 1.788 -5.614 1.00 0.00 C ATOM 1025 C ILE A 59 -8.982 2.375 -6.516 1.00 0.00 C ATOM 1026 O ILE A 59 -9.591 3.380 -6.210 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.529 1.127 -4.391 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -7.439 0.786 -3.365 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -9.244 -0.157 -4.825 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -8.049 0.020 -2.188 1.00 0.00 C ATOM 0 H ILE A 59 -7.432 3.503 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.339 1.067 -6.208 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.245 1.812 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.660 0.186 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.965 1.700 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.696 -0.634 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.021 0.086 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.525 -0.838 -5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.269 -0.218 -1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.812 0.635 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.502 -0.903 -2.550 1.00 0.00 H new ATOM 1042 N SER A 60 -9.216 1.745 -7.625 1.00 0.00 N ATOM 1043 CA SER A 60 -10.255 2.242 -8.570 1.00 0.00 C ATOM 1044 C SER A 60 -10.841 1.072 -9.365 1.00 0.00 C ATOM 1045 O SER A 60 -10.143 0.143 -9.716 1.00 0.00 O ATOM 1046 CB SER A 60 -9.521 3.211 -9.496 1.00 0.00 C ATOM 1047 OG SER A 60 -8.471 3.847 -8.777 1.00 0.00 O ATOM 0 H SER A 60 -8.730 0.899 -7.924 1.00 0.00 H new ATOM 0 HA SER A 60 -11.086 2.727 -8.057 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.116 2.675 -10.354 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.215 3.957 -9.884 1.00 0.00 H new ATOM 0 HG SER A 60 -7.624 3.720 -9.254 1.00 0.00 H new ATOM 1053 N SER A 61 -12.123 1.115 -9.653 1.00 0.00 N ATOM 1054 CA SER A 61 -12.783 0.009 -10.436 1.00 0.00 C ATOM 1055 C SER A 61 -12.854 -1.299 -9.635 1.00 0.00 C ATOM 1056 O SER A 61 -13.322 -2.305 -10.128 1.00 0.00 O ATOM 1057 CB SER A 61 -11.920 -0.200 -11.670 1.00 0.00 C ATOM 1058 OG SER A 61 -12.693 -0.816 -12.689 1.00 0.00 O ATOM 0 H SER A 61 -12.747 1.873 -9.378 1.00 0.00 H new ATOM 0 HA SER A 61 -13.809 0.282 -10.681 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.531 0.756 -12.021 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.060 -0.823 -11.424 1.00 0.00 H new ATOM 0 HG SER A 61 -13.217 -1.549 -12.304 1.00 0.00 H new ATOM 1064 N VAL A 62 -12.386 -1.304 -8.420 1.00 0.00 N ATOM 1065 CA VAL A 62 -12.421 -2.557 -7.608 1.00 0.00 C ATOM 1066 C VAL A 62 -13.812 -3.206 -7.654 1.00 0.00 C ATOM 1067 O VAL A 62 -14.807 -2.552 -7.893 1.00 0.00 O ATOM 1068 CB VAL A 62 -12.064 -2.116 -6.182 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -13.225 -1.342 -5.554 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -11.760 -3.352 -5.334 1.00 0.00 C ATOM 0 H VAL A 62 -11.979 -0.495 -7.951 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.728 -3.308 -7.987 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.190 -1.466 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.954 -1.037 -4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.440 -0.458 -6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.109 -1.979 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.506 -3.044 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.636 -4.000 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.921 -3.895 -5.769 1.00 0.00 H new ATOM 1080 N GLN A 63 -13.879 -4.488 -7.423 1.00 0.00 N ATOM 1081 CA GLN A 63 -15.198 -5.183 -7.447 1.00 0.00 C ATOM 1082 C GLN A 63 -15.783 -5.249 -6.034 1.00 0.00 C ATOM 1083 O GLN A 63 -15.425 -4.478 -5.165 1.00 0.00 O ATOM 1084 CB GLN A 63 -14.901 -6.590 -7.981 1.00 0.00 C ATOM 1085 CG GLN A 63 -14.069 -7.382 -6.965 1.00 0.00 C ATOM 1086 CD GLN A 63 -13.230 -8.428 -7.699 1.00 0.00 C ATOM 1087 OE1 GLN A 63 -12.130 -8.866 -7.151 1.00 0.00 O flip ATOM 1088 NE2 GLN A 63 -13.579 -8.852 -8.783 1.00 0.00 N flip ATOM 0 H GLN A 63 -13.078 -5.085 -7.219 1.00 0.00 H new ATOM 0 HA GLN A 63 -15.929 -4.664 -8.067 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -15.835 -7.114 -8.183 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.363 -6.521 -8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.421 -6.708 -6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.724 -7.868 -6.242 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.439 -8.510 -9.212 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.012 -9.550 -9.264 1.00 0.00 H new ATOM 1097 N ALA A 64 -16.678 -6.168 -5.796 1.00 0.00 N ATOM 1098 CA ALA A 64 -17.279 -6.284 -4.437 1.00 0.00 C ATOM 1099 C ALA A 64 -16.543 -7.355 -3.631 1.00 0.00 C ATOM 1100 O ALA A 64 -17.120 -8.022 -2.796 1.00 0.00 O ATOM 1101 CB ALA A 64 -18.729 -6.697 -4.680 1.00 0.00 C ATOM 0 H ALA A 64 -17.019 -6.842 -6.482 1.00 0.00 H new ATOM 0 HA ALA A 64 -17.211 -5.355 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.242 -6.804 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.229 -5.935 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.752 -7.648 -5.212 1.00 0.00 H new ATOM 1107 N SER A 65 -15.273 -7.531 -3.876 1.00 0.00 N ATOM 1108 CA SER A 65 -14.510 -8.565 -3.121 1.00 0.00 C ATOM 1109 C SER A 65 -13.134 -8.031 -2.715 1.00 0.00 C ATOM 1110 O SER A 65 -12.127 -8.686 -2.891 1.00 0.00 O ATOM 1111 CB SER A 65 -14.366 -9.735 -4.091 1.00 0.00 C ATOM 1112 OG SER A 65 -13.609 -10.768 -3.474 1.00 0.00 O ATOM 0 H SER A 65 -14.733 -7.006 -4.563 1.00 0.00 H new ATOM 0 HA SER A 65 -15.016 -8.855 -2.200 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.349 -10.110 -4.375 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.874 -9.405 -5.006 1.00 0.00 H new ATOM 0 HG SER A 65 -12.734 -10.417 -3.206 1.00 0.00 H new ATOM 1118 N ASP A 66 -13.081 -6.849 -2.168 1.00 0.00 N ATOM 1119 CA ASP A 66 -11.767 -6.287 -1.750 1.00 0.00 C ATOM 1120 C ASP A 66 -11.783 -5.927 -0.260 1.00 0.00 C ATOM 1121 O ASP A 66 -11.017 -5.099 0.188 1.00 0.00 O ATOM 1122 CB ASP A 66 -11.587 -5.031 -2.585 1.00 0.00 C ATOM 1123 CG ASP A 66 -10.403 -5.197 -3.538 1.00 0.00 C ATOM 1124 OD1 ASP A 66 -10.249 -6.281 -4.080 1.00 0.00 O ATOM 1125 OD2 ASP A 66 -9.672 -4.237 -3.712 1.00 0.00 O ATOM 0 H ASP A 66 -13.888 -6.250 -1.993 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.958 -7.002 -1.898 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.495 -4.830 -3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.422 -4.173 -1.934 1.00 0.00 H new ATOM 1130 N GLU A 67 -12.652 -6.563 0.488 1.00 0.00 N ATOM 1131 CA GLU A 67 -12.782 -6.325 1.970 1.00 0.00 C ATOM 1132 C GLU A 67 -12.409 -4.891 2.383 1.00 0.00 C ATOM 1133 O GLU A 67 -12.540 -3.965 1.611 1.00 0.00 O ATOM 1134 CB GLU A 67 -11.867 -7.360 2.638 1.00 0.00 C ATOM 1135 CG GLU A 67 -10.504 -7.427 1.943 1.00 0.00 C ATOM 1136 CD GLU A 67 -10.581 -8.377 0.744 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -11.454 -9.229 0.744 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -9.768 -8.235 -0.153 1.00 0.00 O ATOM 0 H GLU A 67 -13.300 -7.261 0.124 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.820 -6.437 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.730 -7.103 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.341 -8.341 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.205 -6.432 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.744 -7.772 2.644 1.00 0.00 H new ATOM 1145 N GLY A 68 -11.980 -4.699 3.608 1.00 0.00 N ATOM 1146 CA GLY A 68 -11.637 -3.341 4.081 1.00 0.00 C ATOM 1147 C GLY A 68 -10.211 -3.284 4.609 1.00 0.00 C ATOM 1148 O GLY A 68 -9.614 -2.256 4.605 1.00 0.00 O ATOM 0 H GLY A 68 -11.855 -5.439 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.753 -2.629 3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.330 -3.041 4.867 1.00 0.00 H new ATOM 1152 N ASN A 69 -9.659 -4.356 5.085 1.00 0.00 N ATOM 1153 CA ASN A 69 -8.267 -4.282 5.623 1.00 0.00 C ATOM 1154 C ASN A 69 -7.213 -4.538 4.533 1.00 0.00 C ATOM 1155 O ASN A 69 -7.274 -5.503 3.796 1.00 0.00 O ATOM 1156 CB ASN A 69 -8.203 -5.364 6.697 1.00 0.00 C ATOM 1157 CG ASN A 69 -6.824 -5.349 7.363 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -5.816 -5.200 6.701 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -6.736 -5.501 8.656 1.00 0.00 N ATOM 0 H ASN A 69 -10.100 -5.275 5.128 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.048 -3.289 6.015 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.980 -5.196 7.443 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.393 -6.342 6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.822 -5.495 9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.581 -5.626 9.213 1.00 0.00 H new ATOM 1166 N TYR A 70 -6.234 -3.670 4.459 1.00 0.00 N ATOM 1167 CA TYR A 70 -5.125 -3.813 3.466 1.00 0.00 C ATOM 1168 C TYR A 70 -3.838 -3.266 4.100 1.00 0.00 C ATOM 1169 O TYR A 70 -3.901 -2.430 4.978 1.00 0.00 O ATOM 1170 CB TYR A 70 -5.532 -2.945 2.276 1.00 0.00 C ATOM 1171 CG TYR A 70 -6.363 -3.747 1.303 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -5.983 -5.045 0.945 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -7.514 -3.179 0.752 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -6.757 -5.772 0.034 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -8.288 -3.905 -0.158 1.00 0.00 C ATOM 1176 CZ TYR A 70 -7.906 -5.202 -0.515 1.00 0.00 C ATOM 1177 OH TYR A 70 -8.663 -5.917 -1.411 1.00 0.00 O ATOM 0 H TYR A 70 -6.156 -2.849 5.060 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.953 -4.846 3.164 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.099 -2.082 2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.643 -2.562 1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -5.094 -5.485 1.371 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.807 -2.177 1.030 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.465 -6.774 -0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.178 -3.466 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.021 -6.716 -0.972 1.00 0.00 H new ATOM 1187 N SER A 71 -2.668 -3.704 3.694 1.00 0.00 N ATOM 1188 CA SER A 71 -1.443 -3.138 4.343 1.00 0.00 C ATOM 1189 C SER A 71 -0.281 -3.025 3.359 1.00 0.00 C ATOM 1190 O SER A 71 -0.424 -3.249 2.174 1.00 0.00 O ATOM 1191 CB SER A 71 -1.081 -4.080 5.492 1.00 0.00 C ATOM 1192 OG SER A 71 -1.886 -5.252 5.439 1.00 0.00 O ATOM 0 H SER A 71 -2.511 -4.403 2.968 1.00 0.00 H new ATOM 0 HA SER A 71 -1.640 -2.128 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.027 -4.351 5.431 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.226 -3.574 6.446 1.00 0.00 H new ATOM 0 HG SER A 71 -1.529 -5.864 4.762 1.00 0.00 H new ATOM 1198 N VAL A 72 0.873 -2.653 3.852 1.00 0.00 N ATOM 1199 CA VAL A 72 2.060 -2.494 2.952 1.00 0.00 C ATOM 1200 C VAL A 72 3.366 -2.809 3.684 1.00 0.00 C ATOM 1201 O VAL A 72 3.816 -2.061 4.521 1.00 0.00 O ATOM 1202 CB VAL A 72 2.044 -1.020 2.542 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.031 -0.156 3.801 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.296 -0.685 1.717 1.00 0.00 C ATOM 0 H VAL A 72 1.046 -2.452 4.837 1.00 0.00 H new ATOM 0 HA VAL A 72 2.007 -3.176 2.103 1.00 0.00 H new ATOM 0 HB VAL A 72 1.157 -0.825 1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.020 0.897 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.142 -0.384 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.922 -0.363 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.273 0.367 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.187 -0.879 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.317 -1.304 0.820 1.00 0.00 H new ATOM 1214 N VAL A 73 3.991 -3.895 3.348 1.00 0.00 N ATOM 1215 CA VAL A 73 5.280 -4.237 4.002 1.00 0.00 C ATOM 1216 C VAL A 73 6.445 -3.624 3.220 1.00 0.00 C ATOM 1217 O VAL A 73 6.849 -4.119 2.186 1.00 0.00 O ATOM 1218 CB VAL A 73 5.363 -5.769 3.996 1.00 0.00 C ATOM 1219 CG1 VAL A 73 4.161 -6.347 4.742 1.00 0.00 C ATOM 1220 CG2 VAL A 73 5.373 -6.305 2.563 1.00 0.00 C ATOM 0 H VAL A 73 3.667 -4.563 2.648 1.00 0.00 H new ATOM 0 HA VAL A 73 5.336 -3.846 5.018 1.00 0.00 H new ATOM 0 HB VAL A 73 6.288 -6.068 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.219 -7.435 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.164 -5.987 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.241 -6.031 4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.432 -7.393 2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.459 -6.000 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.235 -5.904 2.031 1.00 0.00 H new ATOM 1230 N VAL A 74 6.986 -2.544 3.709 1.00 0.00 N ATOM 1231 CA VAL A 74 8.123 -1.895 3.004 1.00 0.00 C ATOM 1232 C VAL A 74 9.440 -2.527 3.499 1.00 0.00 C ATOM 1233 O VAL A 74 9.787 -2.436 4.659 1.00 0.00 O ATOM 1234 CB VAL A 74 7.984 -0.389 3.356 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.024 0.073 4.389 1.00 0.00 C ATOM 1236 CG2 VAL A 74 8.143 0.443 2.082 1.00 0.00 C ATOM 0 H VAL A 74 6.688 -2.082 4.569 1.00 0.00 H new ATOM 0 HA VAL A 74 8.123 -2.026 1.922 1.00 0.00 H new ATOM 0 HB VAL A 74 6.997 -0.247 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.882 1.133 4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.902 -0.499 5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.027 -0.087 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.046 1.501 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.125 0.259 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.371 0.163 1.366 1.00 0.00 H new ATOM 1246 N GLU A 75 10.157 -3.194 2.637 1.00 0.00 N ATOM 1247 CA GLU A 75 11.424 -3.845 3.079 1.00 0.00 C ATOM 1248 C GLU A 75 12.574 -3.501 2.131 1.00 0.00 C ATOM 1249 O GLU A 75 12.363 -3.134 0.993 1.00 0.00 O ATOM 1250 CB GLU A 75 11.128 -5.345 3.037 1.00 0.00 C ATOM 1251 CG GLU A 75 10.540 -5.786 4.379 1.00 0.00 C ATOM 1252 CD GLU A 75 9.491 -6.876 4.150 1.00 0.00 C ATOM 1253 OE1 GLU A 75 8.920 -6.905 3.072 1.00 0.00 O ATOM 1254 OE2 GLU A 75 9.277 -7.663 5.059 1.00 0.00 O ATOM 0 H GLU A 75 9.923 -3.316 1.652 1.00 0.00 H new ATOM 0 HA GLU A 75 11.730 -3.510 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.428 -5.566 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.042 -5.901 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.332 -6.160 5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.088 -4.934 4.886 1.00 0.00 H new ATOM 1261 N ASN A 76 13.792 -3.618 2.591 1.00 0.00 N ATOM 1262 CA ASN A 76 14.950 -3.295 1.702 1.00 0.00 C ATOM 1263 C ASN A 76 16.227 -4.029 2.168 1.00 0.00 C ATOM 1264 O ASN A 76 16.157 -5.011 2.879 1.00 0.00 O ATOM 1265 CB ASN A 76 15.093 -1.769 1.785 1.00 0.00 C ATOM 1266 CG ASN A 76 15.904 -1.259 0.592 1.00 0.00 C ATOM 1267 OD1 ASN A 76 15.961 -1.902 -0.436 1.00 0.00 O ATOM 1268 ND2 ASN A 76 16.550 -0.129 0.697 1.00 0.00 N ATOM 0 H ASN A 76 14.035 -3.920 3.534 1.00 0.00 H new ATOM 0 HA ASN A 76 14.793 -3.623 0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.108 -1.302 1.793 1.00 0.00 H new ATOM 0 HB3 ASN A 76 15.585 -1.491 2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.105 0.216 -0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.500 0.409 1.562 1.00 0.00 H new ATOM 1275 N SER A 77 17.382 -3.574 1.734 1.00 0.00 N ATOM 1276 CA SER A 77 18.685 -4.232 2.085 1.00 0.00 C ATOM 1277 C SER A 77 18.705 -4.829 3.493 1.00 0.00 C ATOM 1278 O SER A 77 19.251 -5.892 3.711 1.00 0.00 O ATOM 1279 CB SER A 77 19.726 -3.119 1.966 1.00 0.00 C ATOM 1280 OG SER A 77 19.460 -2.114 2.936 1.00 0.00 O ATOM 0 H SER A 77 17.477 -2.753 1.136 1.00 0.00 H new ATOM 0 HA SER A 77 18.874 -5.077 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.727 -3.525 2.113 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.701 -2.689 0.965 1.00 0.00 H new ATOM 0 HG SER A 77 19.582 -1.229 2.532 1.00 0.00 H new ATOM 1286 N GLU A 78 18.135 -4.165 4.445 1.00 0.00 N ATOM 1287 CA GLU A 78 18.149 -4.718 5.835 1.00 0.00 C ATOM 1288 C GLU A 78 17.095 -4.048 6.718 1.00 0.00 C ATOM 1289 O GLU A 78 17.171 -4.093 7.929 1.00 0.00 O ATOM 1290 CB GLU A 78 19.554 -4.425 6.363 1.00 0.00 C ATOM 1291 CG GLU A 78 19.844 -2.929 6.250 1.00 0.00 C ATOM 1292 CD GLU A 78 21.199 -2.719 5.571 1.00 0.00 C ATOM 1293 OE1 GLU A 78 22.020 -3.619 5.638 1.00 0.00 O ATOM 1294 OE2 GLU A 78 21.392 -1.663 4.992 1.00 0.00 O ATOM 0 H GLU A 78 17.661 -3.269 4.333 1.00 0.00 H new ATOM 0 HA GLU A 78 17.914 -5.782 5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 78 19.637 -4.744 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.292 -4.992 5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.058 -2.438 5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.847 -2.473 7.240 1.00 0.00 H new ATOM 1301 N GLY A 79 16.105 -3.443 6.131 1.00 0.00 N ATOM 1302 CA GLY A 79 15.045 -2.795 6.945 1.00 0.00 C ATOM 1303 C GLY A 79 13.723 -3.499 6.667 1.00 0.00 C ATOM 1304 O GLY A 79 13.259 -3.536 5.547 1.00 0.00 O ATOM 0 H GLY A 79 15.984 -3.369 5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.291 -2.856 8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.970 -1.737 6.696 1.00 0.00 H new ATOM 1308 N LYS A 80 13.115 -4.070 7.665 1.00 0.00 N ATOM 1309 CA LYS A 80 11.827 -4.776 7.430 1.00 0.00 C ATOM 1310 C LYS A 80 10.708 -4.121 8.247 1.00 0.00 C ATOM 1311 O LYS A 80 10.493 -4.448 9.399 1.00 0.00 O ATOM 1312 CB LYS A 80 12.069 -6.210 7.903 1.00 0.00 C ATOM 1313 CG LYS A 80 10.897 -7.095 7.477 1.00 0.00 C ATOM 1314 CD LYS A 80 9.931 -7.271 8.652 1.00 0.00 C ATOM 1315 CE LYS A 80 9.900 -8.744 9.083 1.00 0.00 C ATOM 1316 NZ LYS A 80 9.656 -9.541 7.839 1.00 0.00 N ATOM 0 H LYS A 80 13.451 -4.079 8.628 1.00 0.00 H new ATOM 0 HA LYS A 80 11.520 -4.739 6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.998 -6.591 7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.180 -6.232 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.378 -6.645 6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.264 -8.067 7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.242 -6.644 9.488 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.931 -6.945 8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.841 -9.032 9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.113 -8.918 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.080 -10.376 8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.152 -8.954 7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.566 -9.847 7.439 1.00 0.00 H new ATOM 1330 N GLN A 81 9.992 -3.203 7.660 1.00 0.00 N ATOM 1331 CA GLN A 81 8.884 -2.527 8.396 1.00 0.00 C ATOM 1332 C GLN A 81 7.661 -2.414 7.482 1.00 0.00 C ATOM 1333 O GLN A 81 7.739 -2.694 6.305 1.00 0.00 O ATOM 1334 CB GLN A 81 9.430 -1.142 8.747 1.00 0.00 C ATOM 1335 CG GLN A 81 8.498 -0.463 9.753 1.00 0.00 C ATOM 1336 CD GLN A 81 9.115 0.855 10.214 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.317 0.966 10.345 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.332 1.867 10.469 1.00 0.00 N ATOM 0 H GLN A 81 10.126 -2.890 6.699 1.00 0.00 H new ATOM 0 HA GLN A 81 8.573 -3.072 9.287 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.432 -1.231 9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.514 -0.534 7.846 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.525 -0.281 9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.331 -1.117 10.609 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.323 1.771 10.358 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.729 2.754 10.779 1.00 0.00 H new ATOM 1347 N GLU A 82 6.532 -2.019 8.008 1.00 0.00 N ATOM 1348 CA GLU A 82 5.314 -1.905 7.151 1.00 0.00 C ATOM 1349 C GLU A 82 4.377 -0.812 7.665 1.00 0.00 C ATOM 1350 O GLU A 82 4.678 -0.087 8.592 1.00 0.00 O ATOM 1351 CB GLU A 82 4.641 -3.279 7.244 1.00 0.00 C ATOM 1352 CG GLU A 82 4.099 -3.509 8.659 1.00 0.00 C ATOM 1353 CD GLU A 82 2.571 -3.592 8.612 1.00 0.00 C ATOM 1354 OE1 GLU A 82 1.993 -3.043 7.687 1.00 0.00 O ATOM 1355 OE2 GLU A 82 2.003 -4.204 9.501 1.00 0.00 O ATOM 0 H GLU A 82 6.400 -1.771 8.989 1.00 0.00 H new ATOM 0 HA GLU A 82 5.564 -1.633 6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.828 -3.343 6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.357 -4.061 6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.511 -4.429 9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.410 -2.697 9.316 1.00 0.00 H new ATOM 1362 N ALA A 83 3.233 -0.718 7.059 1.00 0.00 N ATOM 1363 CA ALA A 83 2.223 0.290 7.469 1.00 0.00 C ATOM 1364 C ALA A 83 0.855 -0.371 7.365 1.00 0.00 C ATOM 1365 O ALA A 83 0.585 -1.082 6.419 1.00 0.00 O ATOM 1366 CB ALA A 83 2.356 1.430 6.458 1.00 0.00 C ATOM 0 H ALA A 83 2.948 -1.310 6.279 1.00 0.00 H new ATOM 0 HA ALA A 83 2.355 0.662 8.485 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.638 2.215 6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.366 1.837 6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.158 1.052 5.455 1.00 0.00 H new ATOM 1372 N GLU A 84 -0.004 -0.188 8.325 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.325 -0.869 8.237 1.00 0.00 C ATOM 1374 C GLU A 84 -2.475 0.132 8.094 1.00 0.00 C ATOM 1375 O GLU A 84 -2.529 1.148 8.759 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.454 -1.650 9.545 1.00 0.00 C ATOM 1377 CG GLU A 84 -1.582 -3.145 9.239 1.00 0.00 C ATOM 1378 CD GLU A 84 -3.045 -3.486 8.945 1.00 0.00 C ATOM 1379 OE1 GLU A 84 -3.728 -2.645 8.386 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -3.456 -4.586 9.279 1.00 0.00 O ATOM 0 H GLU A 84 0.145 0.391 9.152 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.381 -1.511 7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.583 -1.471 10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.326 -1.306 10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.958 -3.406 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.224 -3.732 10.085 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.404 -0.179 7.237 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.590 0.695 7.019 1.00 0.00 C ATOM 1389 C PHE A 85 -5.716 -0.183 6.483 1.00 0.00 C ATOM 1390 O PHE A 85 -5.544 -1.372 6.347 1.00 0.00 O ATOM 1391 CB PHE A 85 -4.156 1.723 5.971 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.713 1.009 4.715 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -4.666 0.478 3.838 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -2.350 0.882 4.427 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -4.254 -0.180 2.672 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -1.940 0.224 3.261 1.00 0.00 C ATOM 1397 CZ PHE A 85 -2.892 -0.308 2.384 1.00 0.00 C ATOM 0 H PHE A 85 -3.391 -1.023 6.664 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.937 1.194 7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.981 2.399 5.746 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.342 2.334 6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.718 0.576 4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.614 1.291 5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.989 -0.589 1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.888 0.127 3.038 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.575 -0.817 1.486 1.00 0.00 H new ATOM 1407 N THR A 86 -6.858 0.362 6.178 1.00 0.00 N ATOM 1408 CA THR A 86 -7.948 -0.503 5.652 1.00 0.00 C ATOM 1409 C THR A 86 -8.828 0.260 4.652 1.00 0.00 C ATOM 1410 O THR A 86 -9.397 1.288 4.956 1.00 0.00 O ATOM 1411 CB THR A 86 -8.761 -0.925 6.880 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.391 0.214 7.445 1.00 0.00 O ATOM 1413 CG2 THR A 86 -7.842 -1.571 7.916 1.00 0.00 C ATOM 0 H THR A 86 -7.083 1.353 6.268 1.00 0.00 H new ATOM 0 HA THR A 86 -7.551 -1.363 5.113 1.00 0.00 H new ATOM 0 HB THR A 86 -9.519 -1.647 6.577 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.570 0.872 6.741 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.427 -1.868 8.786 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.365 -2.450 7.482 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.077 -0.856 8.220 1.00 0.00 H new ATOM 1421 N LEU A 87 -8.963 -0.268 3.462 1.00 0.00 N ATOM 1422 CA LEU A 87 -9.828 0.374 2.440 1.00 0.00 C ATOM 1423 C LEU A 87 -11.002 -0.555 2.165 1.00 0.00 C ATOM 1424 O LEU A 87 -10.842 -1.641 1.646 1.00 0.00 O ATOM 1425 CB LEU A 87 -8.946 0.517 1.201 1.00 0.00 C ATOM 1426 CG LEU A 87 -8.002 1.739 1.271 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -8.298 2.681 2.449 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -6.566 1.235 1.398 1.00 0.00 C ATOM 0 H LEU A 87 -8.504 -1.126 3.157 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.224 1.341 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.351 -0.388 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.580 0.604 0.318 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.157 2.315 0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.596 3.515 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.316 3.062 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.192 2.135 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.885 2.085 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.469 0.638 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.317 0.622 0.531 1.00 0.00 H new ATOM 1440 N THR A 88 -12.170 -0.140 2.543 1.00 0.00 N ATOM 1441 CA THR A 88 -13.374 -1.012 2.357 1.00 0.00 C ATOM 1442 C THR A 88 -14.128 -0.692 1.081 1.00 0.00 C ATOM 1443 O THR A 88 -13.953 0.339 0.458 1.00 0.00 O ATOM 1444 CB THR A 88 -14.261 -0.780 3.587 1.00 0.00 C ATOM 1445 OG1 THR A 88 -13.528 -0.098 4.599 1.00 0.00 O ATOM 1446 CG2 THR A 88 -14.732 -2.131 4.129 1.00 0.00 C ATOM 0 H THR A 88 -12.353 0.766 2.975 1.00 0.00 H new ATOM 0 HA THR A 88 -13.074 -2.056 2.264 1.00 0.00 H new ATOM 0 HB THR A 88 -15.119 -0.173 3.299 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.104 0.047 5.379 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.363 -1.972 5.004 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.302 -2.653 3.360 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.867 -2.732 4.410 1.00 0.00 H new ATOM 1454 N ILE A 89 -14.956 -1.615 0.689 1.00 0.00 N ATOM 1455 CA ILE A 89 -15.733 -1.458 -0.566 1.00 0.00 C ATOM 1456 C ILE A 89 -17.121 -2.110 -0.444 1.00 0.00 C ATOM 1457 O ILE A 89 -17.369 -3.190 -0.938 1.00 0.00 O ATOM 1458 CB ILE A 89 -14.864 -2.134 -1.644 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -14.137 -3.389 -1.108 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -13.793 -1.135 -2.072 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -15.120 -4.376 -0.481 1.00 0.00 C ATOM 0 H ILE A 89 -15.129 -2.485 1.193 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.933 -0.414 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.515 -2.436 -2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -13.599 -3.876 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -13.394 -3.093 -0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.160 -1.585 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.269 -0.241 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.183 -0.863 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.577 -5.247 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -15.638 -3.896 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -15.847 -4.691 -1.230 1.00 0.00 H new ATOM 1473 N GLN A 90 -18.031 -1.442 0.211 1.00 0.00 N ATOM 1474 CA GLN A 90 -19.402 -1.987 0.382 1.00 0.00 C ATOM 1475 C GLN A 90 -20.026 -2.323 -0.970 1.00 0.00 C ATOM 1476 O GLN A 90 -19.364 -2.398 -1.984 1.00 0.00 O ATOM 1477 CB GLN A 90 -20.180 -0.856 1.061 1.00 0.00 C ATOM 1478 CG GLN A 90 -20.192 -1.078 2.574 1.00 0.00 C ATOM 1479 CD GLN A 90 -21.467 -1.821 2.975 1.00 0.00 C ATOM 1480 OE1 GLN A 90 -21.784 -2.926 2.358 1.00 0.00 O flip ATOM 1481 NE2 GLN A 90 -22.183 -1.391 3.857 1.00 0.00 N flip ATOM 0 H GLN A 90 -17.877 -0.529 0.640 1.00 0.00 H new ATOM 0 HA GLN A 90 -19.409 -2.909 0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -19.722 0.105 0.828 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -21.201 -0.823 0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -19.315 -1.652 2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -20.139 -0.121 3.092 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -21.935 -0.527 4.339 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -23.032 -1.894 4.115 1.00 0.00 H new ATOM 1490 N LYS A 91 -21.304 -2.526 -0.977 1.00 0.00 N ATOM 1491 CA LYS A 91 -22.009 -2.863 -2.247 1.00 0.00 C ATOM 1492 C LYS A 91 -21.329 -4.053 -2.931 1.00 0.00 C ATOM 1493 O LYS A 91 -20.538 -3.821 -3.831 1.00 0.00 O ATOM 1494 CB LYS A 91 -21.893 -1.609 -3.115 1.00 0.00 C ATOM 1495 CG LYS A 91 -23.051 -1.572 -4.115 1.00 0.00 C ATOM 1496 CD LYS A 91 -24.314 -1.066 -3.416 1.00 0.00 C ATOM 1497 CE LYS A 91 -25.464 -2.049 -3.655 1.00 0.00 C ATOM 1498 NZ LYS A 91 -26.652 -1.423 -3.006 1.00 0.00 N ATOM 1499 OXT LYS A 91 -21.610 -5.175 -2.543 1.00 0.00 O ATOM 0 H LYS A 91 -21.903 -2.474 -0.153 1.00 0.00 H new ATOM 0 HA LYS A 91 -23.048 -3.145 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.911 -0.717 -2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -20.941 -1.607 -3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -22.801 -0.921 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -23.223 -2.567 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -24.131 -0.958 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -24.581 -0.080 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -25.634 -2.206 -4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -25.246 -3.024 -3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -27.480 -2.040 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -26.465 -1.292 -1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -26.841 -0.499 -3.445 1.00 0.00 H new TER 1513 LYS A 91