USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 920 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 Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= 1.17 (180deg=0.928) USER MOD Single : A 17 LYS NZ :NH3+ 152:sc= 1.22 (180deg=0.45) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.00051) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.48 (180deg=1.11) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0668) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0.346 (180deg=0.313) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.95! K(o=-2!,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -141:sc= 0.574 (180deg=0.317) USER MOD Single : A 47 MET CE :methyl -157:sc= 0 (180deg=-0.576) USER MOD Single : A 50 CYS SG : rot 180:sc= -2.64! USER MOD Single : A 51 TYR OH : rot 49:sc= 0.876 USER MOD Single : A 52 LYS NZ :NH3+ -154:sc= 1.14! (180deg=0.929!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -21:sc= 0.872 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.55! K(o=-1.5!,f=-0.085) USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= 1.23 (180deg=0.301) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -131:sc= -1.09 (180deg=-3.13!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1.9!) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= -0.0108 (180deg=-0.0108) USER MOD Single : B 75 THR OG1 : rot -170:sc= -1.11 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 7.637 12.189 -7.774 1.00 0.00 N ATOM 19 CA ALA A 2 8.929 12.142 -7.115 1.00 0.00 C ATOM 20 C ALA A 2 9.295 10.691 -7.063 1.00 0.00 C ATOM 21 O ALA A 2 10.270 10.252 -7.672 1.00 0.00 O ATOM 22 CB ALA A 2 8.867 12.742 -5.707 1.00 0.00 C ATOM 0 HA ALA A 2 9.671 12.731 -7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.853 12.689 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.551 13.783 -5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.153 12.181 -5.104 1.00 0.00 H new ATOM 28 N TYR A 3 8.483 9.945 -6.369 1.00 0.00 N ATOM 29 CA TYR A 3 8.545 8.516 -6.405 1.00 0.00 C ATOM 30 C TYR A 3 7.565 8.035 -7.443 1.00 0.00 C ATOM 31 O TYR A 3 6.533 8.693 -7.664 1.00 0.00 O ATOM 32 CB TYR A 3 8.232 7.898 -5.030 1.00 0.00 C ATOM 33 CG TYR A 3 9.423 7.828 -4.090 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.994 8.970 -3.535 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.991 6.603 -3.785 1.00 0.00 C ATOM 36 CE1 TYR A 3 11.098 8.875 -2.698 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.087 6.499 -2.963 1.00 0.00 C ATOM 38 CZ TYR A 3 11.640 7.630 -2.420 1.00 0.00 C ATOM 39 OH TYR A 3 12.745 7.517 -1.606 1.00 0.00 O ATOM 0 H TYR A 3 7.755 10.317 -5.759 1.00 0.00 H new ATOM 0 HA TYR A 3 9.556 8.203 -6.663 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.443 8.480 -4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.841 6.891 -5.178 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.574 9.940 -3.758 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.561 5.705 -4.204 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.531 9.765 -2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.511 5.530 -2.745 1.00 0.00 H new ATOM 0 HH TYR A 3 12.991 6.572 -1.517 1.00 0.00 H new ATOM 49 N PHE A 4 7.900 6.966 -8.127 1.00 0.00 N ATOM 50 CA PHE A 4 6.980 6.391 -9.096 1.00 0.00 C ATOM 51 C PHE A 4 5.899 5.626 -8.349 1.00 0.00 C ATOM 52 O PHE A 4 6.061 5.328 -7.146 1.00 0.00 O ATOM 53 CB PHE A 4 7.702 5.460 -10.077 1.00 0.00 C ATOM 54 CG PHE A 4 8.842 6.109 -10.815 1.00 0.00 C ATOM 55 CD1 PHE A 4 8.629 7.220 -11.613 1.00 0.00 C ATOM 56 CD2 PHE A 4 10.123 5.600 -10.715 1.00 0.00 C ATOM 57 CE1 PHE A 4 9.672 7.811 -12.297 1.00 0.00 C ATOM 58 CE2 PHE A 4 11.169 6.183 -11.395 1.00 0.00 C ATOM 59 CZ PHE A 4 10.945 7.291 -12.186 1.00 0.00 C ATOM 0 H PHE A 4 8.791 6.477 -8.037 1.00 0.00 H new ATOM 0 HA PHE A 4 6.537 7.198 -9.680 1.00 0.00 H new ATOM 0 HB2 PHE A 4 8.082 4.597 -9.530 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.981 5.085 -10.803 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.634 7.630 -11.701 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.306 4.734 -10.096 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.492 8.677 -12.917 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.164 5.773 -11.309 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.765 7.751 -12.718 1.00 0.00 H new ATOM 69 N LEU A 5 4.818 5.296 -9.015 1.00 0.00 N ATOM 70 CA LEU A 5 3.766 4.612 -8.352 1.00 0.00 C ATOM 71 C LEU A 5 3.569 3.277 -9.013 1.00 0.00 C ATOM 72 O LEU A 5 3.476 3.190 -10.236 1.00 0.00 O ATOM 73 CB LEU A 5 2.478 5.445 -8.384 1.00 0.00 C ATOM 74 CG LEU A 5 1.261 4.829 -7.711 1.00 0.00 C ATOM 75 CD1 LEU A 5 1.505 4.593 -6.223 1.00 0.00 C ATOM 76 CD2 LEU A 5 0.066 5.714 -7.918 1.00 0.00 C ATOM 0 H LEU A 5 4.657 5.493 -10.003 1.00 0.00 H new ATOM 0 HA LEU A 5 4.025 4.458 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.680 6.406 -7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.227 5.648 -9.425 1.00 0.00 H new ATOM 0 HG LEU A 5 1.071 3.858 -8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.615 4.152 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.349 3.916 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.725 5.543 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.804 5.270 -7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.260 6.695 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.127 5.821 -8.985 1.00 0.00 H new ATOM 88 N ASP A 6 3.524 2.255 -8.223 1.00 0.00 N ATOM 89 CA ASP A 6 3.351 0.902 -8.735 1.00 0.00 C ATOM 90 C ASP A 6 2.412 0.145 -7.870 1.00 0.00 C ATOM 91 O ASP A 6 2.305 0.407 -6.675 1.00 0.00 O ATOM 92 CB ASP A 6 4.681 0.116 -8.857 1.00 0.00 C ATOM 93 CG ASP A 6 5.402 0.286 -10.193 1.00 0.00 C ATOM 94 OD1 ASP A 6 6.154 1.261 -10.371 1.00 0.00 O ATOM 95 OD2 ASP A 6 5.266 -0.598 -11.066 1.00 0.00 O ATOM 0 H ASP A 6 3.604 2.315 -7.208 1.00 0.00 H new ATOM 0 HA ASP A 6 2.946 1.006 -9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.349 0.432 -8.056 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.477 -0.943 -8.702 1.00 0.00 H new ATOM 100 N PHE A 7 1.712 -0.762 -8.466 1.00 0.00 N ATOM 101 CA PHE A 7 0.792 -1.623 -7.763 1.00 0.00 C ATOM 102 C PHE A 7 0.963 -3.040 -8.220 1.00 0.00 C ATOM 103 O PHE A 7 1.251 -3.283 -9.387 1.00 0.00 O ATOM 104 CB PHE A 7 -0.670 -1.215 -7.992 1.00 0.00 C ATOM 105 CG PHE A 7 -1.174 -0.047 -7.199 1.00 0.00 C ATOM 106 CD1 PHE A 7 -0.865 1.242 -7.557 1.00 0.00 C ATOM 107 CD2 PHE A 7 -1.987 -0.254 -6.100 1.00 0.00 C ATOM 108 CE1 PHE A 7 -1.351 2.309 -6.837 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.484 0.811 -5.379 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.161 2.094 -5.748 1.00 0.00 C ATOM 0 H PHE A 7 1.757 -0.936 -9.470 1.00 0.00 H new ATOM 0 HA PHE A 7 1.018 -1.529 -6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.799 -0.989 -9.050 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.302 -2.075 -7.771 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.233 1.421 -8.414 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.236 -1.262 -5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.095 3.317 -7.128 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.125 0.637 -4.527 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.543 2.932 -5.184 1.00 0.00 H new ATOM 120 N ASP A 8 0.838 -3.947 -7.293 1.00 0.00 N ATOM 121 CA ASP A 8 0.796 -5.379 -7.560 1.00 0.00 C ATOM 122 C ASP A 8 -0.400 -5.670 -8.440 1.00 0.00 C ATOM 123 O ASP A 8 -1.443 -5.040 -8.271 1.00 0.00 O ATOM 124 CB ASP A 8 0.695 -6.134 -6.221 1.00 0.00 C ATOM 125 CG ASP A 8 0.066 -7.508 -6.328 1.00 0.00 C ATOM 126 OD1 ASP A 8 0.726 -8.449 -6.770 1.00 0.00 O ATOM 127 OD2 ASP A 8 -1.132 -7.638 -5.979 1.00 0.00 O ATOM 0 H ASP A 8 0.760 -3.718 -6.302 1.00 0.00 H new ATOM 0 HA ASP A 8 1.699 -5.707 -8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.694 -6.236 -5.798 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.113 -5.534 -5.522 1.00 0.00 H new ATOM 132 N GLU A 9 -0.250 -6.592 -9.372 1.00 0.00 N ATOM 133 CA GLU A 9 -1.287 -6.912 -10.350 1.00 0.00 C ATOM 134 C GLU A 9 -2.631 -7.218 -9.671 1.00 0.00 C ATOM 135 O GLU A 9 -3.670 -6.729 -10.101 1.00 0.00 O ATOM 136 CB GLU A 9 -0.827 -8.078 -11.210 1.00 0.00 C ATOM 137 CG GLU A 9 -0.930 -7.851 -12.721 1.00 0.00 C ATOM 138 CD GLU A 9 -2.347 -7.800 -13.238 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.961 -8.879 -13.386 1.00 0.00 O ATOM 140 OE2 GLU A 9 -2.867 -6.710 -13.533 1.00 0.00 O ATOM 0 H GLU A 9 0.599 -7.147 -9.477 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.448 -6.041 -10.986 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.210 -8.305 -10.962 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.417 -8.957 -10.949 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.428 -6.917 -12.973 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.395 -8.649 -13.235 1.00 0.00 H new ATOM 147 N ARG A 10 -2.602 -7.957 -8.574 1.00 0.00 N ATOM 148 CA ARG A 10 -3.825 -8.274 -7.852 1.00 0.00 C ATOM 149 C ARG A 10 -4.363 -7.013 -7.158 1.00 0.00 C ATOM 150 O ARG A 10 -5.568 -6.788 -7.112 1.00 0.00 O ATOM 151 CB ARG A 10 -3.599 -9.395 -6.832 1.00 0.00 C ATOM 152 CG ARG A 10 -3.287 -10.761 -7.424 1.00 0.00 C ATOM 153 CD ARG A 10 -2.932 -11.769 -6.327 1.00 0.00 C ATOM 154 NE ARG A 10 -3.993 -11.905 -5.319 1.00 0.00 N ATOM 155 CZ ARG A 10 -3.810 -12.349 -4.060 1.00 0.00 C ATOM 156 NH1 ARG A 10 -2.627 -12.806 -3.665 1.00 0.00 N ATOM 157 NH2 ARG A 10 -4.818 -12.355 -3.216 1.00 0.00 N ATOM 0 H ARG A 10 -1.752 -8.346 -8.166 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.563 -8.629 -8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.778 -9.106 -6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.490 -9.482 -6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.147 -11.121 -7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.458 -10.676 -8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.740 -12.741 -6.781 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.009 -11.458 -5.838 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.940 -11.643 -5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.843 -12.824 -4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.502 -13.139 -2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.735 -12.024 -3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.683 -12.691 -2.262 1.00 0.00 H new ATOM 171 N ALA A 11 -3.451 -6.185 -6.653 1.00 0.00 N ATOM 172 CA ALA A 11 -3.787 -4.922 -5.976 1.00 0.00 C ATOM 173 C ALA A 11 -4.587 -3.972 -6.873 1.00 0.00 C ATOM 174 O ALA A 11 -5.421 -3.210 -6.378 1.00 0.00 O ATOM 175 CB ALA A 11 -2.539 -4.235 -5.437 1.00 0.00 C ATOM 0 H ALA A 11 -2.449 -6.368 -6.699 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.427 -5.182 -5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.820 -3.305 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.043 -4.891 -4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.859 -4.017 -6.261 1.00 0.00 H new ATOM 181 N LEU A 12 -4.349 -4.024 -8.190 1.00 0.00 N ATOM 182 CA LEU A 12 -5.141 -3.227 -9.144 1.00 0.00 C ATOM 183 C LEU A 12 -6.613 -3.594 -9.052 1.00 0.00 C ATOM 184 O LEU A 12 -7.504 -2.729 -8.948 1.00 0.00 O ATOM 185 CB LEU A 12 -4.670 -3.382 -10.617 1.00 0.00 C ATOM 186 CG LEU A 12 -3.420 -2.597 -11.067 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.161 -3.145 -10.484 1.00 0.00 C ATOM 188 CD2 LEU A 12 -3.326 -2.558 -12.574 1.00 0.00 C ATOM 0 H LEU A 12 -3.625 -4.601 -8.618 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.990 -2.185 -8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.482 -4.440 -10.797 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.497 -3.091 -11.264 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.535 -1.581 -10.690 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.312 -2.556 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.213 -3.098 -9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.036 -4.182 -10.797 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.437 -2.000 -12.869 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.261 -3.575 -12.961 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.212 -2.071 -12.981 1.00 0.00 H new ATOM 200 N LYS A 13 -6.853 -4.871 -8.995 1.00 0.00 N ATOM 201 CA LYS A 13 -8.189 -5.406 -9.006 1.00 0.00 C ATOM 202 C LYS A 13 -8.834 -5.101 -7.662 1.00 0.00 C ATOM 203 O LYS A 13 -10.029 -4.849 -7.579 1.00 0.00 O ATOM 204 CB LYS A 13 -8.150 -6.931 -9.235 1.00 0.00 C ATOM 205 CG LYS A 13 -7.023 -7.409 -10.164 1.00 0.00 C ATOM 206 CD LYS A 13 -7.063 -6.792 -11.560 1.00 0.00 C ATOM 207 CE LYS A 13 -5.726 -7.036 -12.244 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.615 -6.486 -13.613 1.00 0.00 N ATOM 0 H LYS A 13 -6.122 -5.580 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.765 -4.953 -9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.043 -7.428 -8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.106 -7.247 -9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.063 -7.176 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.078 -8.494 -10.256 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.871 -7.232 -12.144 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.263 -5.723 -11.494 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.936 -6.604 -11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.546 -8.110 -12.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.612 -6.423 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.113 -7.110 -14.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.041 -5.538 -13.642 1.00 0.00 H new ATOM 222 N GLU A 14 -7.993 -5.058 -6.630 1.00 0.00 N ATOM 223 CA GLU A 14 -8.414 -4.811 -5.266 1.00 0.00 C ATOM 224 C GLU A 14 -9.151 -3.498 -5.094 1.00 0.00 C ATOM 225 O GLU A 14 -10.226 -3.485 -4.515 1.00 0.00 O ATOM 226 CB GLU A 14 -7.250 -4.858 -4.292 1.00 0.00 C ATOM 227 CG GLU A 14 -6.584 -6.213 -4.139 1.00 0.00 C ATOM 228 CD GLU A 14 -7.526 -7.323 -3.721 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.646 -7.056 -3.236 1.00 0.00 O ATOM 230 OE2 GLU A 14 -7.147 -8.498 -3.872 1.00 0.00 O ATOM 0 H GLU A 14 -6.987 -5.197 -6.727 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.108 -5.620 -5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.499 -4.137 -4.615 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.604 -4.533 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.117 -6.485 -5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.786 -6.132 -3.401 1.00 0.00 H new ATOM 237 N TRP A 15 -8.625 -2.393 -5.614 1.00 0.00 N ATOM 238 CA TRP A 15 -9.312 -1.132 -5.373 1.00 0.00 C ATOM 239 C TRP A 15 -10.576 -1.068 -6.211 1.00 0.00 C ATOM 240 O TRP A 15 -11.554 -0.400 -5.858 1.00 0.00 O ATOM 241 CB TRP A 15 -8.418 0.132 -5.580 1.00 0.00 C ATOM 242 CG TRP A 15 -8.118 0.528 -7.007 1.00 0.00 C ATOM 243 CD1 TRP A 15 -8.974 1.136 -7.886 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.870 0.411 -7.696 1.00 0.00 C ATOM 245 NE1 TRP A 15 -8.351 1.364 -9.071 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.062 0.934 -8.990 1.00 0.00 C ATOM 247 CE3 TRP A 15 -5.618 -0.091 -7.358 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.053 0.965 -9.936 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -4.615 -0.052 -8.302 1.00 0.00 C ATOM 250 CH2 TRP A 15 -4.839 0.470 -9.575 1.00 0.00 C ATOM 0 H TRP A 15 -7.774 -2.342 -6.174 1.00 0.00 H new ATOM 0 HA TRP A 15 -9.575 -1.114 -4.315 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.903 0.975 -5.088 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.471 -0.034 -5.067 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -9.999 1.397 -7.668 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.781 1.790 -9.892 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.436 -0.503 -6.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.223 1.367 -10.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.636 -0.433 -8.051 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.030 0.482 -10.291 1.00 0.00 H new ATOM 261 N ARG A 16 -10.567 -1.808 -7.298 1.00 0.00 N ATOM 262 CA ARG A 16 -11.681 -1.812 -8.220 1.00 0.00 C ATOM 263 C ARG A 16 -12.871 -2.630 -7.685 1.00 0.00 C ATOM 264 O ARG A 16 -14.018 -2.368 -8.040 1.00 0.00 O ATOM 265 CB ARG A 16 -11.217 -2.282 -9.604 1.00 0.00 C ATOM 266 CG ARG A 16 -10.048 -1.448 -10.113 1.00 0.00 C ATOM 267 CD ARG A 16 -9.570 -1.837 -11.505 1.00 0.00 C ATOM 268 NE ARG A 16 -10.596 -1.657 -12.543 1.00 0.00 N ATOM 269 CZ ARG A 16 -10.442 -0.940 -13.674 1.00 0.00 C ATOM 270 NH1 ARG A 16 -9.335 -0.222 -13.884 1.00 0.00 N ATOM 271 NH2 ARG A 16 -11.398 -0.948 -14.588 1.00 0.00 N ATOM 0 H ARG A 16 -9.795 -2.418 -7.566 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.048 -0.791 -8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.923 -3.330 -9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.046 -2.217 -10.309 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.340 -0.398 -10.121 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.216 -1.542 -9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.695 -1.240 -11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.252 -2.880 -11.495 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.497 -2.111 -12.395 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.593 -0.212 -13.184 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.232 0.316 -14.744 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.245 -1.495 -14.435 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.288 -0.408 -15.446 1.00 0.00 H new ATOM 285 N LYS A 17 -12.597 -3.585 -6.804 1.00 0.00 N ATOM 286 CA LYS A 17 -13.648 -4.432 -6.236 1.00 0.00 C ATOM 287 C LYS A 17 -14.200 -3.888 -4.911 1.00 0.00 C ATOM 288 O LYS A 17 -15.204 -4.393 -4.396 1.00 0.00 O ATOM 289 CB LYS A 17 -13.168 -5.918 -6.111 1.00 0.00 C ATOM 290 CG LYS A 17 -11.829 -6.122 -5.378 1.00 0.00 C ATOM 291 CD LYS A 17 -11.914 -5.966 -3.857 1.00 0.00 C ATOM 292 CE LYS A 17 -12.169 -7.285 -3.160 1.00 0.00 C ATOM 293 NZ LYS A 17 -11.039 -8.223 -3.358 1.00 0.00 N ATOM 0 H LYS A 17 -11.658 -3.795 -6.465 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.484 -4.412 -6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.938 -6.488 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.082 -6.339 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.450 -7.117 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.103 -5.407 -5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.985 -5.534 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.712 -5.266 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.320 -7.113 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.087 -7.731 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.985 -8.877 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.187 -8.764 -4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.151 -7.687 -3.428 1.00 0.00 H new ATOM 307 N LEU A 18 -13.560 -2.876 -4.359 1.00 0.00 N ATOM 308 CA LEU A 18 -13.992 -2.327 -3.077 1.00 0.00 C ATOM 309 C LEU A 18 -14.719 -0.993 -3.234 1.00 0.00 C ATOM 310 O LEU A 18 -14.889 -0.503 -4.355 1.00 0.00 O ATOM 311 CB LEU A 18 -12.820 -2.267 -2.060 1.00 0.00 C ATOM 312 CG LEU A 18 -11.520 -1.556 -2.491 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.661 -0.052 -2.574 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.384 -1.923 -1.579 1.00 0.00 C ATOM 0 H LEU A 18 -12.746 -2.417 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.728 -3.014 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.186 -1.776 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.565 -3.290 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.302 -1.907 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.712 0.386 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.431 0.202 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.942 0.342 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.478 -1.410 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.626 -1.625 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.223 -3.000 -1.614 1.00 0.00 H new ATOM 326 N GLY A 19 -15.138 -0.424 -2.117 1.00 0.00 N ATOM 327 CA GLY A 19 -15.884 0.813 -2.123 1.00 0.00 C ATOM 328 C GLY A 19 -15.065 2.021 -2.540 1.00 0.00 C ATOM 329 O GLY A 19 -13.874 2.138 -2.207 1.00 0.00 O ATOM 0 H GLY A 19 -14.970 -0.808 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.733 0.711 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.289 0.987 -1.126 1.00 0.00 H new ATOM 333 N SER A 20 -15.713 2.928 -3.231 1.00 0.00 N ATOM 334 CA SER A 20 -15.090 4.108 -3.772 1.00 0.00 C ATOM 335 C SER A 20 -14.481 5.021 -2.689 1.00 0.00 C ATOM 336 O SER A 20 -13.338 5.454 -2.825 1.00 0.00 O ATOM 337 CB SER A 20 -16.107 4.858 -4.595 1.00 0.00 C ATOM 338 OG SER A 20 -16.692 3.989 -5.562 1.00 0.00 O ATOM 0 H SER A 20 -16.710 2.863 -3.436 1.00 0.00 H new ATOM 0 HA SER A 20 -14.255 3.791 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.882 5.266 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.631 5.702 -5.094 1.00 0.00 H new ATOM 0 HG SER A 20 -17.352 4.485 -6.090 1.00 0.00 H new ATOM 344 N THR A 21 -15.216 5.251 -1.597 1.00 0.00 N ATOM 345 CA THR A 21 -14.769 6.141 -0.528 1.00 0.00 C ATOM 346 C THR A 21 -13.423 5.664 0.043 1.00 0.00 C ATOM 347 O THR A 21 -12.541 6.466 0.358 1.00 0.00 O ATOM 348 CB THR A 21 -15.820 6.178 0.600 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.119 6.436 0.036 1.00 0.00 O ATOM 350 CG2 THR A 21 -15.491 7.251 1.635 1.00 0.00 C ATOM 0 H THR A 21 -16.130 4.828 -1.432 1.00 0.00 H new ATOM 0 HA THR A 21 -14.644 7.141 -0.943 1.00 0.00 H new ATOM 0 HB THR A 21 -15.814 5.211 1.102 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.788 6.458 0.752 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.252 7.249 2.415 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.517 7.043 2.078 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.469 8.228 1.152 1.00 0.00 H new ATOM 358 N VAL A 22 -13.267 4.360 0.130 1.00 0.00 N ATOM 359 CA VAL A 22 -12.047 3.751 0.622 1.00 0.00 C ATOM 360 C VAL A 22 -10.867 4.085 -0.293 1.00 0.00 C ATOM 361 O VAL A 22 -9.848 4.618 0.162 1.00 0.00 O ATOM 362 CB VAL A 22 -12.202 2.208 0.749 1.00 0.00 C ATOM 363 CG1 VAL A 22 -10.886 1.536 1.118 1.00 0.00 C ATOM 364 CG2 VAL A 22 -13.265 1.871 1.778 1.00 0.00 C ATOM 0 H VAL A 22 -13.986 3.688 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 22 -11.850 4.160 1.613 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.508 1.827 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.037 0.459 1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.143 1.743 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.535 1.924 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.364 0.788 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.977 2.281 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.218 2.301 1.471 1.00 0.00 H new ATOM 374 N ARG A 23 -11.029 3.832 -1.580 1.00 0.00 N ATOM 375 CA ARG A 23 -9.942 4.025 -2.525 1.00 0.00 C ATOM 376 C ARG A 23 -9.572 5.496 -2.701 1.00 0.00 C ATOM 377 O ARG A 23 -8.412 5.804 -2.998 1.00 0.00 O ATOM 378 CB ARG A 23 -10.202 3.315 -3.858 1.00 0.00 C ATOM 379 CG ARG A 23 -11.419 3.776 -4.615 1.00 0.00 C ATOM 380 CD ARG A 23 -11.659 2.891 -5.810 1.00 0.00 C ATOM 381 NE ARG A 23 -12.840 3.291 -6.561 1.00 0.00 N ATOM 382 CZ ARG A 23 -13.693 2.454 -7.151 1.00 0.00 C ATOM 383 NH1 ARG A 23 -13.567 1.138 -7.001 1.00 0.00 N ATOM 384 NH2 ARG A 23 -14.679 2.942 -7.887 1.00 0.00 N ATOM 0 H ARG A 23 -11.898 3.494 -1.994 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.064 3.548 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.328 3.447 -4.496 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.299 2.246 -3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.291 3.759 -3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.284 4.808 -4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.787 2.921 -6.464 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.773 1.859 -5.479 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.030 4.290 -6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.811 0.760 -6.430 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.226 0.507 -7.457 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.781 3.951 -7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.337 2.309 -8.342 1.00 0.00 H new ATOM 398 N GLU A 24 -10.534 6.394 -2.491 1.00 0.00 N ATOM 399 CA GLU A 24 -10.271 7.831 -2.545 1.00 0.00 C ATOM 400 C GLU A 24 -9.331 8.234 -1.414 1.00 0.00 C ATOM 401 O GLU A 24 -8.323 8.907 -1.639 1.00 0.00 O ATOM 402 CB GLU A 24 -11.558 8.646 -2.438 1.00 0.00 C ATOM 403 CG GLU A 24 -12.543 8.442 -3.570 1.00 0.00 C ATOM 404 CD GLU A 24 -13.736 9.346 -3.426 1.00 0.00 C ATOM 405 OE1 GLU A 24 -13.681 10.493 -3.921 1.00 0.00 O ATOM 406 OE2 GLU A 24 -14.730 8.965 -2.772 1.00 0.00 O ATOM 0 H GLU A 24 -11.502 6.151 -2.282 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.809 8.041 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.051 8.396 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.297 9.703 -2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.050 8.636 -4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.871 7.403 -3.586 1.00 0.00 H new ATOM 413 N GLN A 25 -9.652 7.773 -0.203 1.00 0.00 N ATOM 414 CA GLN A 25 -8.863 8.069 0.999 1.00 0.00 C ATOM 415 C GLN A 25 -7.443 7.546 0.845 1.00 0.00 C ATOM 416 O GLN A 25 -6.466 8.187 1.270 1.00 0.00 O ATOM 417 CB GLN A 25 -9.516 7.433 2.229 1.00 0.00 C ATOM 418 CG GLN A 25 -10.916 7.935 2.498 1.00 0.00 C ATOM 419 CD GLN A 25 -11.580 7.255 3.671 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.467 7.696 4.809 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.299 6.204 3.403 1.00 0.00 N ATOM 0 H GLN A 25 -10.466 7.184 -0.026 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.829 9.151 1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.546 6.352 2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.894 7.629 3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.880 9.009 2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.526 7.785 1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.370 5.866 2.443 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.792 5.719 4.153 1.00 0.00 H new ATOM 430 N LEU A 26 -7.340 6.394 0.216 1.00 0.00 N ATOM 431 CA LEU A 26 -6.068 5.768 -0.035 1.00 0.00 C ATOM 432 C LEU A 26 -5.246 6.578 -1.037 1.00 0.00 C ATOM 433 O LEU A 26 -4.064 6.787 -0.828 1.00 0.00 O ATOM 434 CB LEU A 26 -6.258 4.322 -0.502 1.00 0.00 C ATOM 435 CG LEU A 26 -6.978 3.392 0.492 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.173 2.012 -0.100 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.218 3.301 1.812 1.00 0.00 C ATOM 0 H LEU A 26 -8.140 5.868 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.509 5.744 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.820 4.331 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.278 3.899 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.959 3.822 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.684 1.375 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.774 2.087 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.202 1.580 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.750 2.638 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.218 2.907 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.142 4.293 2.257 1.00 0.00 H new ATOM 449 N LYS A 27 -5.897 7.086 -2.099 1.00 0.00 N ATOM 450 CA LYS A 27 -5.204 7.907 -3.109 1.00 0.00 C ATOM 451 C LYS A 27 -4.656 9.185 -2.504 1.00 0.00 C ATOM 452 O LYS A 27 -3.632 9.702 -2.951 1.00 0.00 O ATOM 453 CB LYS A 27 -6.097 8.263 -4.314 1.00 0.00 C ATOM 454 CG LYS A 27 -6.414 7.106 -5.256 1.00 0.00 C ATOM 455 CD LYS A 27 -7.228 7.561 -6.480 1.00 0.00 C ATOM 456 CE LYS A 27 -6.488 8.619 -7.303 1.00 0.00 C ATOM 457 NZ LYS A 27 -7.238 9.021 -8.512 1.00 0.00 N ATOM 0 H LYS A 27 -6.891 6.945 -2.279 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.382 7.289 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.035 8.673 -3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.609 9.052 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.484 6.646 -5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.971 6.341 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.446 6.699 -7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.185 7.964 -6.149 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.307 9.497 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.513 8.230 -7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.581 9.427 -9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.707 8.188 -8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.954 9.731 -8.256 1.00 0.00 H new ATOM 471 N LYS A 28 -5.327 9.681 -1.486 1.00 0.00 N ATOM 472 CA LYS A 28 -4.894 10.889 -0.828 1.00 0.00 C ATOM 473 C LYS A 28 -3.597 10.646 -0.078 1.00 0.00 C ATOM 474 O LYS A 28 -2.651 11.430 -0.165 1.00 0.00 O ATOM 475 CB LYS A 28 -5.973 11.443 0.106 1.00 0.00 C ATOM 476 CG LYS A 28 -7.313 11.743 -0.579 1.00 0.00 C ATOM 477 CD LYS A 28 -7.164 12.628 -1.831 1.00 0.00 C ATOM 478 CE LYS A 28 -6.482 13.959 -1.533 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.216 14.742 -0.523 1.00 0.00 N ATOM 0 H LYS A 28 -6.174 9.264 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.716 11.642 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.142 10.727 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.602 12.358 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.790 10.804 -0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.976 12.237 0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.589 12.090 -2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.149 12.817 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.467 13.775 -1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.401 14.539 -2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.787 15.686 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.210 14.839 -0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.170 14.255 0.395 1.00 0.00 H new ATOM 493 N LYS A 29 -3.515 9.548 0.625 1.00 0.00 N ATOM 494 CA LYS A 29 -2.305 9.251 1.303 1.00 0.00 C ATOM 495 C LYS A 29 -1.212 8.785 0.360 1.00 0.00 C ATOM 496 O LYS A 29 -0.046 8.805 0.702 1.00 0.00 O ATOM 497 CB LYS A 29 -2.551 8.293 2.404 1.00 0.00 C ATOM 498 CG LYS A 29 -3.470 8.888 3.442 1.00 0.00 C ATOM 499 CD LYS A 29 -3.641 7.977 4.598 1.00 0.00 C ATOM 500 CE LYS A 29 -2.296 7.674 5.272 1.00 0.00 C ATOM 501 NZ LYS A 29 -1.555 8.907 5.674 1.00 0.00 N ATOM 0 H LYS A 29 -4.262 8.863 0.736 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.934 10.176 1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.991 7.379 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.604 8.015 2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.066 9.841 3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.442 9.096 2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.320 8.428 5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.102 7.047 4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.468 7.056 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.677 7.091 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.688 8.641 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.304 9.453 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.156 9.487 6.294 1.00 0.00 H new ATOM 515 N LEU A 30 -1.583 8.393 -0.827 1.00 0.00 N ATOM 516 CA LEU A 30 -0.605 8.028 -1.809 1.00 0.00 C ATOM 517 C LEU A 30 0.051 9.275 -2.401 1.00 0.00 C ATOM 518 O LEU A 30 1.219 9.261 -2.749 1.00 0.00 O ATOM 519 CB LEU A 30 -1.193 7.128 -2.898 1.00 0.00 C ATOM 520 CG LEU A 30 -1.682 5.745 -2.442 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.300 4.986 -3.600 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.547 4.933 -1.827 1.00 0.00 C ATOM 0 H LEU A 30 -2.552 8.319 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 30 0.167 7.444 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.029 7.652 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.438 6.987 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.444 5.899 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.640 4.009 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.148 5.548 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.557 4.855 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.924 3.959 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.244 4.796 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.148 5.463 -0.962 1.00 0.00 H new ATOM 534 N VAL A 31 -0.678 10.377 -2.455 1.00 0.00 N ATOM 535 CA VAL A 31 -0.106 11.595 -3.004 1.00 0.00 C ATOM 536 C VAL A 31 0.850 12.253 -1.996 1.00 0.00 C ATOM 537 O VAL A 31 1.741 13.012 -2.379 1.00 0.00 O ATOM 538 CB VAL A 31 -1.180 12.610 -3.547 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.000 13.246 -2.452 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.553 13.666 -4.442 1.00 0.00 C ATOM 0 H VAL A 31 -1.643 10.455 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 31 0.471 11.297 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.870 12.020 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.722 13.935 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.529 12.471 -1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.343 13.792 -1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.326 14.348 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.193 14.225 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.075 13.183 -5.295 1.00 0.00 H new ATOM 550 N GLU A 32 0.710 11.916 -0.713 1.00 0.00 N ATOM 551 CA GLU A 32 1.611 12.480 0.281 1.00 0.00 C ATOM 552 C GLU A 32 2.819 11.559 0.405 1.00 0.00 C ATOM 553 O GLU A 32 3.942 11.990 0.720 1.00 0.00 O ATOM 554 CB GLU A 32 0.916 12.639 1.663 1.00 0.00 C ATOM 555 CG GLU A 32 0.597 11.317 2.357 1.00 0.00 C ATOM 556 CD GLU A 32 -0.078 11.464 3.697 1.00 0.00 C ATOM 557 OE1 GLU A 32 0.584 11.803 4.677 1.00 0.00 O ATOM 558 OE2 GLU A 32 -1.293 11.211 3.799 1.00 0.00 O ATOM 0 H GLU A 32 0.004 11.276 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 32 1.917 13.476 -0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.558 13.233 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.009 13.199 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.043 10.723 1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.523 10.758 2.490 1.00 0.00 H new ATOM 565 N VAL A 33 2.586 10.296 0.095 1.00 0.00 N ATOM 566 CA VAL A 33 3.558 9.267 0.289 1.00 0.00 C ATOM 567 C VAL A 33 4.615 9.303 -0.803 1.00 0.00 C ATOM 568 O VAL A 33 5.759 9.028 -0.554 1.00 0.00 O ATOM 569 CB VAL A 33 2.884 7.866 0.391 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.689 7.168 -0.947 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.603 7.002 1.353 1.00 0.00 C ATOM 0 H VAL A 33 1.706 9.966 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 33 4.061 9.454 1.238 1.00 0.00 H new ATOM 0 HB VAL A 33 1.877 8.049 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.214 6.200 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.056 7.781 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.657 7.022 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.113 6.030 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.634 6.871 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.593 7.468 2.338 1.00 0.00 H new ATOM 581 N LEU A 34 4.228 9.734 -2.000 1.00 0.00 N ATOM 582 CA LEU A 34 5.151 9.785 -3.138 1.00 0.00 C ATOM 583 C LEU A 34 6.247 10.829 -2.942 1.00 0.00 C ATOM 584 O LEU A 34 7.221 10.860 -3.691 1.00 0.00 O ATOM 585 CB LEU A 34 4.393 10.025 -4.449 1.00 0.00 C ATOM 586 CG LEU A 34 3.407 8.923 -4.866 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.616 9.347 -6.081 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.144 7.637 -5.176 1.00 0.00 C ATOM 0 H LEU A 34 3.283 10.054 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 34 5.641 8.813 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.844 10.963 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.122 10.155 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 34 2.724 8.755 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.924 8.553 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.055 10.253 -5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.298 9.542 -6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.428 6.869 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.847 7.808 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.688 7.307 -4.291 1.00 0.00 H new ATOM 600 N GLU A 35 6.076 11.670 -1.946 1.00 0.00 N ATOM 601 CA GLU A 35 7.062 12.656 -1.624 1.00 0.00 C ATOM 602 C GLU A 35 7.938 12.158 -0.472 1.00 0.00 C ATOM 603 O GLU A 35 9.165 12.265 -0.525 1.00 0.00 O ATOM 604 CB GLU A 35 6.390 13.979 -1.272 1.00 0.00 C ATOM 605 CG GLU A 35 7.360 15.112 -0.994 1.00 0.00 C ATOM 606 CD GLU A 35 6.653 16.401 -0.725 1.00 0.00 C ATOM 607 OE1 GLU A 35 6.377 17.154 -1.693 1.00 0.00 O ATOM 608 OE2 GLU A 35 6.350 16.689 0.439 1.00 0.00 O ATOM 0 H GLU A 35 5.252 11.683 -1.345 1.00 0.00 H new ATOM 0 HA GLU A 35 7.700 12.824 -2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.733 14.270 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.759 13.832 -0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.982 14.854 -0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.027 15.236 -1.847 1.00 0.00 H new ATOM 615 N SER A 36 7.307 11.578 0.535 1.00 0.00 N ATOM 616 CA SER A 36 8.007 11.098 1.723 1.00 0.00 C ATOM 617 C SER A 36 7.378 9.772 2.174 1.00 0.00 C ATOM 618 O SER A 36 6.440 9.762 2.973 1.00 0.00 O ATOM 619 CB SER A 36 7.925 12.138 2.860 1.00 0.00 C ATOM 620 OG SER A 36 8.373 13.425 2.424 1.00 0.00 O ATOM 0 H SER A 36 6.299 11.425 0.556 1.00 0.00 H new ATOM 0 HA SER A 36 9.058 10.943 1.481 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.897 12.210 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.531 11.806 3.703 1.00 0.00 H new ATOM 0 HG SER A 36 8.308 14.063 3.165 1.00 0.00 H new ATOM 626 N PRO A 37 7.841 8.642 1.615 1.00 0.00 N ATOM 627 CA PRO A 37 7.257 7.337 1.882 1.00 0.00 C ATOM 628 C PRO A 37 7.777 6.643 3.132 1.00 0.00 C ATOM 629 O PRO A 37 7.137 5.731 3.639 1.00 0.00 O ATOM 630 CB PRO A 37 7.608 6.513 0.633 1.00 0.00 C ATOM 631 CG PRO A 37 8.480 7.393 -0.224 1.00 0.00 C ATOM 632 CD PRO A 37 8.918 8.547 0.627 1.00 0.00 C ATOM 0 HA PRO A 37 6.189 7.441 2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.130 5.596 0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.706 6.218 0.096 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.342 6.838 -0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.931 7.745 -1.097 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.884 8.361 1.097 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.018 9.464 0.046 1.00 0.00 H new ATOM 640 N ARG A 38 8.907 7.064 3.642 1.00 0.00 N ATOM 641 CA ARG A 38 9.472 6.367 4.774 1.00 0.00 C ATOM 642 C ARG A 38 8.900 6.867 6.075 1.00 0.00 C ATOM 643 O ARG A 38 9.333 7.888 6.623 1.00 0.00 O ATOM 644 CB ARG A 38 10.996 6.386 4.790 1.00 0.00 C ATOM 645 CG ARG A 38 11.627 5.781 3.551 1.00 0.00 C ATOM 646 CD ARG A 38 13.087 5.468 3.774 1.00 0.00 C ATOM 647 NE ARG A 38 13.259 4.370 4.743 1.00 0.00 N ATOM 648 CZ ARG A 38 14.327 4.175 5.516 1.00 0.00 C ATOM 649 NH1 ARG A 38 15.317 5.064 5.535 1.00 0.00 N ATOM 650 NH2 ARG A 38 14.387 3.096 6.277 1.00 0.00 N ATOM 0 H ARG A 38 9.443 7.863 3.304 1.00 0.00 H new ATOM 0 HA ARG A 38 9.183 5.322 4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.336 7.416 4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.348 5.844 5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.095 4.869 3.278 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.525 6.472 2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.551 5.195 2.826 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.601 6.359 4.136 1.00 0.00 H new ATOM 0 HE ARG A 38 12.494 3.701 4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.262 5.901 4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.131 4.908 6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.621 2.423 6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.200 2.937 6.873 1.00 0.00 H new ATOM 664 N ILE A 39 7.900 6.174 6.546 1.00 0.00 N ATOM 665 CA ILE A 39 7.246 6.495 7.785 1.00 0.00 C ATOM 666 C ILE A 39 7.287 5.249 8.658 1.00 0.00 C ATOM 667 O ILE A 39 6.429 4.374 8.536 1.00 0.00 O ATOM 668 CB ILE A 39 5.754 6.904 7.547 1.00 0.00 C ATOM 669 CG1 ILE A 39 5.661 8.017 6.487 1.00 0.00 C ATOM 670 CG2 ILE A 39 5.103 7.363 8.857 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.245 8.354 6.066 1.00 0.00 C ATOM 0 H ILE A 39 7.511 5.358 6.073 1.00 0.00 H new ATOM 0 HA ILE A 39 7.753 7.335 8.259 1.00 0.00 H new ATOM 0 HB ILE A 39 5.216 6.029 7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.136 8.917 6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.228 7.714 5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.066 7.643 8.670 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.134 6.550 9.583 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.645 8.223 9.251 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.267 9.146 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.771 7.468 5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.678 8.690 6.934 1.00 0.00 H new ATOM 683 N GLU A 40 8.292 5.140 9.511 1.00 0.00 N ATOM 684 CA GLU A 40 8.462 3.941 10.330 1.00 0.00 C ATOM 685 C GLU A 40 7.374 3.805 11.387 1.00 0.00 C ATOM 686 O GLU A 40 7.189 2.741 11.968 1.00 0.00 O ATOM 687 CB GLU A 40 9.853 3.838 10.945 1.00 0.00 C ATOM 688 CG GLU A 40 10.240 4.973 11.858 1.00 0.00 C ATOM 689 CD GLU A 40 11.579 4.739 12.492 1.00 0.00 C ATOM 690 OE1 GLU A 40 12.614 5.078 11.879 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.630 4.191 13.604 1.00 0.00 O ATOM 0 H GLU A 40 9.000 5.859 9.657 1.00 0.00 H new ATOM 0 HA GLU A 40 8.358 3.098 9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.916 2.905 11.505 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.585 3.776 10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.262 5.904 11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.484 5.090 12.635 1.00 0.00 H new ATOM 698 N ALA A 41 6.635 4.868 11.610 1.00 0.00 N ATOM 699 CA ALA A 41 5.487 4.831 12.508 1.00 0.00 C ATOM 700 C ALA A 41 4.320 4.097 11.835 1.00 0.00 C ATOM 701 O ALA A 41 3.262 3.934 12.406 1.00 0.00 O ATOM 702 CB ALA A 41 5.073 6.238 12.903 1.00 0.00 C ATOM 0 H ALA A 41 6.805 5.778 11.182 1.00 0.00 H new ATOM 0 HA ALA A 41 5.767 4.292 13.413 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.215 6.190 13.573 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.902 6.732 13.410 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.805 6.803 12.010 1.00 0.00 H new ATOM 708 N ASN A 42 4.519 3.716 10.585 1.00 0.00 N ATOM 709 CA ASN A 42 3.537 2.952 9.830 1.00 0.00 C ATOM 710 C ASN A 42 4.116 1.605 9.423 1.00 0.00 C ATOM 711 O ASN A 42 3.485 0.877 8.694 1.00 0.00 O ATOM 712 CB ASN A 42 3.096 3.697 8.537 1.00 0.00 C ATOM 713 CG ASN A 42 2.143 4.884 8.717 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.371 5.201 7.813 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.157 5.530 9.850 1.00 0.00 N ATOM 0 H ASN A 42 5.369 3.928 10.062 1.00 0.00 H new ATOM 0 HA ASN A 42 2.672 2.819 10.480 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.991 4.054 8.028 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.619 2.975 7.874 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.520 6.313 9.998 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.804 5.252 10.588 1.00 0.00 H new ATOM 722 N LYS A 43 5.321 1.275 9.887 1.00 0.00 N ATOM 723 CA LYS A 43 5.972 0.029 9.447 1.00 0.00 C ATOM 724 C LYS A 43 5.344 -1.190 10.110 1.00 0.00 C ATOM 725 O LYS A 43 4.666 -1.074 11.138 1.00 0.00 O ATOM 726 CB LYS A 43 7.484 0.038 9.732 1.00 0.00 C ATOM 727 CG LYS A 43 7.840 -0.260 11.171 1.00 0.00 C ATOM 728 CD LYS A 43 9.332 -0.315 11.389 1.00 0.00 C ATOM 729 CE LYS A 43 9.630 -0.934 12.733 1.00 0.00 C ATOM 730 NZ LYS A 43 9.284 -2.380 12.756 1.00 0.00 N ATOM 0 H LYS A 43 5.859 1.832 10.550 1.00 0.00 H new ATOM 0 HA LYS A 43 5.821 -0.031 8.369 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.969 -0.696 9.089 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.888 1.014 9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.408 0.505 11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.396 -1.212 11.464 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.803 -0.898 10.597 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.753 0.689 11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.687 -0.808 12.966 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.068 -0.412 13.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.865 -2.622 13.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.601 -2.586 11.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.144 -2.945 12.608 1.00 0.00 H new ATOM 744 N LEU A 44 5.594 -2.336 9.524 1.00 0.00 N ATOM 745 CA LEU A 44 5.123 -3.586 10.035 1.00 0.00 C ATOM 746 C LEU A 44 6.113 -4.148 11.067 1.00 0.00 C ATOM 747 O LEU A 44 7.092 -3.482 11.465 1.00 0.00 O ATOM 748 CB LEU A 44 4.953 -4.579 8.878 1.00 0.00 C ATOM 749 CG LEU A 44 3.939 -4.200 7.793 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.900 -5.258 6.703 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.560 -4.014 8.397 1.00 0.00 C ATOM 0 H LEU A 44 6.139 -2.420 8.666 1.00 0.00 H new ATOM 0 HA LEU A 44 4.162 -3.431 10.525 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.924 -4.719 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.661 -5.542 9.296 1.00 0.00 H new ATOM 0 HG LEU A 44 4.253 -3.257 7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.174 -4.970 5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.886 -5.348 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.612 -6.216 7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.852 -3.745 7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.242 -4.943 8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.594 -3.220 9.143 1.00 0.00 H new ATOM 763 N ARG A 45 5.863 -5.369 11.492 1.00 0.00 N ATOM 764 CA ARG A 45 6.703 -6.036 12.463 1.00 0.00 C ATOM 765 C ARG A 45 7.952 -6.605 11.786 1.00 0.00 C ATOM 766 O ARG A 45 9.053 -6.068 11.935 1.00 0.00 O ATOM 767 CB ARG A 45 5.912 -7.152 13.175 1.00 0.00 C ATOM 768 CG ARG A 45 6.683 -7.872 14.276 1.00 0.00 C ATOM 769 CD ARG A 45 5.884 -9.029 14.872 1.00 0.00 C ATOM 770 NE ARG A 45 4.599 -8.597 15.456 1.00 0.00 N ATOM 771 CZ ARG A 45 3.676 -9.432 15.968 1.00 0.00 C ATOM 772 NH1 ARG A 45 3.885 -10.748 15.995 1.00 0.00 N ATOM 773 NH2 ARG A 45 2.539 -8.950 16.440 1.00 0.00 N ATOM 0 H ARG A 45 5.071 -5.927 11.173 1.00 0.00 H new ATOM 0 HA ARG A 45 7.021 -5.309 13.210 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.008 -6.721 13.605 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.594 -7.885 12.433 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.622 -8.250 13.873 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.937 -7.163 15.064 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.694 -9.771 14.096 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.481 -9.518 15.641 1.00 0.00 H new ATOM 0 HE ARG A 45 4.397 -7.597 15.473 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.753 -11.134 15.625 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.177 -11.369 16.386 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.362 -7.946 16.416 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.839 -9.582 16.828 1.00 0.00 H new ATOM 787 N GLY A 46 7.759 -7.671 11.021 1.00 0.00 N ATOM 788 CA GLY A 46 8.858 -8.335 10.358 1.00 0.00 C ATOM 789 C GLY A 46 9.419 -7.537 9.217 1.00 0.00 C ATOM 790 O GLY A 46 10.627 -7.515 9.000 1.00 0.00 O ATOM 0 H GLY A 46 6.846 -8.091 10.848 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.649 -8.529 11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.521 -9.303 9.987 1.00 0.00 H new ATOM 794 N MET A 47 8.555 -6.865 8.513 1.00 0.00 N ATOM 795 CA MET A 47 8.959 -6.104 7.364 1.00 0.00 C ATOM 796 C MET A 47 9.408 -4.717 7.797 1.00 0.00 C ATOM 797 O MET A 47 8.631 -3.982 8.409 1.00 0.00 O ATOM 798 CB MET A 47 7.828 -6.017 6.360 1.00 0.00 C ATOM 799 CG MET A 47 7.365 -7.363 5.838 1.00 0.00 C ATOM 800 SD MET A 47 8.675 -8.291 5.022 1.00 0.00 S ATOM 801 CE MET A 47 7.792 -9.805 4.629 1.00 0.00 C ATOM 0 H MET A 47 7.556 -6.828 8.716 1.00 0.00 H new ATOM 0 HA MET A 47 9.797 -6.607 6.881 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.983 -5.508 6.823 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.149 -5.403 5.519 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.972 -7.952 6.667 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.544 -7.212 5.137 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.505 -10.620 4.504 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.104 -10.046 5.439 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.231 -9.669 3.704 1.00 0.00 H new ATOM 811 N PRO A 48 10.665 -4.344 7.505 1.00 0.00 N ATOM 812 CA PRO A 48 11.236 -3.069 7.947 1.00 0.00 C ATOM 813 C PRO A 48 10.628 -1.840 7.264 1.00 0.00 C ATOM 814 O PRO A 48 10.098 -0.948 7.936 1.00 0.00 O ATOM 815 CB PRO A 48 12.736 -3.189 7.606 1.00 0.00 C ATOM 816 CG PRO A 48 12.960 -4.623 7.265 1.00 0.00 C ATOM 817 CD PRO A 48 11.655 -5.137 6.748 1.00 0.00 C ATOM 0 HA PRO A 48 11.033 -2.910 9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.000 -2.542 6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.355 -2.886 8.451 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.744 -4.727 6.515 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.281 -5.186 8.141 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.558 -4.985 5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.541 -6.206 6.930 1.00 0.00 H new ATOM 825 N ASP A 49 10.696 -1.780 5.952 1.00 0.00 N ATOM 826 CA ASP A 49 10.221 -0.599 5.242 1.00 0.00 C ATOM 827 C ASP A 49 8.979 -0.881 4.444 1.00 0.00 C ATOM 828 O ASP A 49 8.686 -0.219 3.435 1.00 0.00 O ATOM 829 CB ASP A 49 11.313 0.056 4.391 1.00 0.00 C ATOM 830 CG ASP A 49 12.380 0.740 5.223 1.00 0.00 C ATOM 831 OD1 ASP A 49 12.064 1.721 5.944 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.554 0.342 5.153 1.00 0.00 O ATOM 0 H ASP A 49 11.069 -2.520 5.357 1.00 0.00 H new ATOM 0 HA ASP A 49 9.950 0.129 6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.780 -0.702 3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.857 0.787 3.723 1.00 0.00 H new ATOM 837 N CYS A 50 8.245 -1.850 4.893 1.00 0.00 N ATOM 838 CA CYS A 50 6.950 -2.115 4.360 1.00 0.00 C ATOM 839 C CYS A 50 5.979 -1.516 5.351 1.00 0.00 C ATOM 840 O CYS A 50 6.041 -1.825 6.551 1.00 0.00 O ATOM 841 CB CYS A 50 6.717 -3.607 4.205 1.00 0.00 C ATOM 842 SG CYS A 50 8.001 -4.450 3.247 1.00 0.00 S ATOM 0 H CYS A 50 8.530 -2.481 5.642 1.00 0.00 H new ATOM 0 HA CYS A 50 6.829 -1.686 3.365 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.658 -4.061 5.194 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.753 -3.767 3.723 1.00 0.00 H new ATOM 0 HG CYS A 50 7.722 -5.717 3.168 1.00 0.00 H new ATOM 848 N TYR A 51 5.139 -0.653 4.882 1.00 0.00 N ATOM 849 CA TYR A 51 4.279 0.088 5.748 1.00 0.00 C ATOM 850 C TYR A 51 2.827 -0.268 5.475 1.00 0.00 C ATOM 851 O TYR A 51 2.513 -0.951 4.493 1.00 0.00 O ATOM 852 CB TYR A 51 4.502 1.594 5.550 1.00 0.00 C ATOM 853 CG TYR A 51 5.962 2.024 5.542 1.00 0.00 C ATOM 854 CD1 TYR A 51 6.752 1.958 6.678 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.542 2.491 4.384 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.080 2.350 6.656 1.00 0.00 C ATOM 857 CE2 TYR A 51 7.855 2.883 4.355 1.00 0.00 C ATOM 858 CZ TYR A 51 8.623 2.813 5.486 1.00 0.00 C ATOM 859 OH TYR A 51 9.943 3.228 5.443 1.00 0.00 O ATOM 0 H TYR A 51 5.029 -0.441 3.890 1.00 0.00 H new ATOM 0 HA TYR A 51 4.514 -0.169 6.781 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.043 1.895 4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.983 2.132 6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.323 1.593 7.600 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.951 2.550 3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.681 2.291 7.551 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.286 3.249 3.435 1.00 0.00 H new ATOM 0 HH TYR A 51 10.513 2.551 5.865 1.00 0.00 H new ATOM 869 N LYS A 52 1.966 0.219 6.312 1.00 0.00 N ATOM 870 CA LYS A 52 0.560 -0.043 6.252 1.00 0.00 C ATOM 871 C LYS A 52 -0.190 1.258 6.429 1.00 0.00 C ATOM 872 O LYS A 52 0.345 2.226 6.974 1.00 0.00 O ATOM 873 CB LYS A 52 0.169 -1.010 7.380 1.00 0.00 C ATOM 874 CG LYS A 52 0.550 -0.464 8.743 1.00 0.00 C ATOM 875 CD LYS A 52 0.279 -1.410 9.881 1.00 0.00 C ATOM 876 CE LYS A 52 0.736 -0.771 11.180 1.00 0.00 C ATOM 877 NZ LYS A 52 0.537 -1.648 12.339 1.00 0.00 N ATOM 0 H LYS A 52 2.231 0.832 7.083 1.00 0.00 H new ATOM 0 HA LYS A 52 0.310 -0.489 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.905 -1.192 7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.659 -1.971 7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.611 -0.213 8.738 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.003 0.463 8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.785 -1.643 9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.804 -2.351 9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.792 -0.512 11.102 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.190 0.160 11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.434 -1.070 13.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.322 -2.218 12.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.358 -2.278 12.442 1.00 0.00 H new ATOM 891 N ILE A 53 -1.385 1.275 5.951 1.00 0.00 N ATOM 892 CA ILE A 53 -2.292 2.373 6.093 1.00 0.00 C ATOM 893 C ILE A 53 -3.623 1.761 6.438 1.00 0.00 C ATOM 894 O ILE A 53 -4.125 0.946 5.682 1.00 0.00 O ATOM 895 CB ILE A 53 -2.445 3.168 4.758 1.00 0.00 C ATOM 896 CG1 ILE A 53 -1.086 3.727 4.286 1.00 0.00 C ATOM 897 CG2 ILE A 53 -3.478 4.285 4.906 1.00 0.00 C ATOM 898 CD1 ILE A 53 -1.141 4.492 2.972 1.00 0.00 C ATOM 0 H ILE A 53 -1.779 0.494 5.427 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.928 3.067 6.850 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.803 2.478 3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.690 4.386 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.384 2.900 4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.567 4.825 3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.444 3.855 5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.160 4.973 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.143 4.849 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.504 3.834 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.815 5.342 3.074 1.00 0.00 H new ATOM 910 N LYS A 54 -4.168 2.078 7.565 1.00 0.00 N ATOM 911 CA LYS A 54 -5.434 1.530 7.926 1.00 0.00 C ATOM 912 C LYS A 54 -6.423 2.612 8.300 1.00 0.00 C ATOM 913 O LYS A 54 -6.148 3.481 9.137 1.00 0.00 O ATOM 914 CB LYS A 54 -5.303 0.339 8.924 1.00 0.00 C ATOM 915 CG LYS A 54 -4.367 0.550 10.129 1.00 0.00 C ATOM 916 CD LYS A 54 -4.972 1.408 11.224 1.00 0.00 C ATOM 917 CE LYS A 54 -6.172 0.730 11.853 1.00 0.00 C ATOM 918 NZ LYS A 54 -6.709 1.499 12.977 1.00 0.00 N ATOM 0 H LYS A 54 -3.758 2.712 8.251 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.876 1.064 7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.297 0.100 9.302 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.955 -0.533 8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.100 -0.421 10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.443 1.014 9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.222 1.608 11.989 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.271 2.372 10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.949 0.597 11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.888 -0.265 12.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.529 1.000 13.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.976 1.605 13.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.005 2.439 12.645 1.00 0.00 H new ATOM 932 N LEU A 55 -7.558 2.576 7.638 1.00 0.00 N ATOM 933 CA LEU A 55 -8.553 3.628 7.733 1.00 0.00 C ATOM 934 C LEU A 55 -9.147 3.773 9.125 1.00 0.00 C ATOM 935 O LEU A 55 -9.143 2.829 9.923 1.00 0.00 O ATOM 936 CB LEU A 55 -9.635 3.458 6.668 1.00 0.00 C ATOM 937 CG LEU A 55 -9.161 3.565 5.207 1.00 0.00 C ATOM 938 CD1 LEU A 55 -10.330 3.428 4.259 1.00 0.00 C ATOM 939 CD2 LEU A 55 -8.430 4.881 4.956 1.00 0.00 C ATOM 0 H LEU A 55 -7.821 1.813 7.014 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.030 4.565 7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.105 2.484 6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.405 4.211 6.836 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.461 2.749 5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.976 3.506 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.806 2.459 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.052 4.220 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.108 4.926 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.100 5.715 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.559 4.943 5.608 1.00 0.00 H new ATOM 951 N ARG A 56 -9.677 4.960 9.381 1.00 0.00 N ATOM 952 CA ARG A 56 -10.172 5.350 10.690 1.00 0.00 C ATOM 953 C ARG A 56 -11.371 4.498 11.086 1.00 0.00 C ATOM 954 O ARG A 56 -11.347 3.824 12.107 1.00 0.00 O ATOM 955 CB ARG A 56 -10.537 6.841 10.694 1.00 0.00 C ATOM 956 CG ARG A 56 -9.427 7.758 10.162 1.00 0.00 C ATOM 957 CD ARG A 56 -8.145 7.689 10.989 1.00 0.00 C ATOM 958 NE ARG A 56 -8.304 8.265 12.326 1.00 0.00 N ATOM 959 CZ ARG A 56 -7.293 8.602 13.135 1.00 0.00 C ATOM 960 NH1 ARG A 56 -6.039 8.275 12.815 1.00 0.00 N ATOM 961 NH2 ARG A 56 -7.537 9.238 14.278 1.00 0.00 N ATOM 0 H ARG A 56 -9.776 5.689 8.674 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.384 5.185 11.425 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.434 6.986 10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.785 7.141 11.712 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.202 7.486 9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.789 8.786 10.149 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.832 6.649 11.081 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.349 8.216 10.463 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.253 8.420 12.665 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.849 7.767 11.951 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.271 8.534 13.434 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.496 9.469 14.538 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.765 9.494 14.894 1.00 0.00 H new ATOM 975 N SER A 57 -12.395 4.515 10.277 1.00 0.00 N ATOM 976 CA SER A 57 -13.555 3.711 10.524 1.00 0.00 C ATOM 977 C SER A 57 -14.022 3.106 9.208 1.00 0.00 C ATOM 978 O SER A 57 -14.855 3.680 8.495 1.00 0.00 O ATOM 979 CB SER A 57 -14.666 4.543 11.204 1.00 0.00 C ATOM 980 OG SER A 57 -15.808 3.749 11.538 1.00 0.00 O ATOM 0 H SER A 57 -12.447 5.085 9.432 1.00 0.00 H new ATOM 0 HA SER A 57 -13.306 2.903 11.212 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.270 5.005 12.108 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.970 5.352 10.540 1.00 0.00 H new ATOM 0 HG SER A 57 -16.485 4.313 11.967 1.00 0.00 H new ATOM 986 N SER A 58 -13.425 1.987 8.846 1.00 0.00 N ATOM 987 CA SER A 58 -13.728 1.293 7.591 1.00 0.00 C ATOM 988 C SER A 58 -13.212 -0.146 7.682 1.00 0.00 C ATOM 989 O SER A 58 -13.851 -1.087 7.208 1.00 0.00 O ATOM 990 CB SER A 58 -13.055 1.990 6.379 1.00 0.00 C ATOM 991 OG SER A 58 -13.370 3.374 6.300 1.00 0.00 O ATOM 0 H SER A 58 -12.712 1.525 9.410 1.00 0.00 H new ATOM 0 HA SER A 58 -14.808 1.312 7.442 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.974 1.871 6.450 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.370 1.496 5.460 1.00 0.00 H new ATOM 0 HG SER A 58 -14.195 3.551 6.799 1.00 0.00 H new ATOM 997 N GLY A 59 -12.044 -0.299 8.297 1.00 0.00 N ATOM 998 CA GLY A 59 -11.450 -1.607 8.457 1.00 0.00 C ATOM 999 C GLY A 59 -10.668 -2.026 7.243 1.00 0.00 C ATOM 1000 O GLY A 59 -10.303 -3.181 7.095 1.00 0.00 O ATOM 0 H GLY A 59 -11.497 0.468 8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.793 -1.602 9.327 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.234 -2.339 8.653 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.413 -1.099 6.373 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.652 -1.375 5.185 1.00 0.00 C ATOM 1006 C TYR A 60 -8.221 -0.971 5.399 1.00 0.00 C ATOM 1007 O TYR A 60 -7.948 -0.006 6.123 1.00 0.00 O ATOM 1008 CB TYR A 60 -10.245 -0.666 3.965 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.557 -1.256 3.467 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.765 -0.975 4.084 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.574 -2.088 2.361 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.949 -1.512 3.616 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.748 -2.628 1.887 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.931 -2.338 2.513 1.00 0.00 C ATOM 1015 OH TYR A 60 -15.106 -2.887 2.043 1.00 0.00 O ATOM 0 H TYR A 60 -10.723 -0.131 6.462 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.693 -2.446 4.986 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.404 0.384 4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.517 -0.696 3.154 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.782 -0.325 4.946 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.646 -2.318 1.859 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.882 -1.286 4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.736 -3.278 1.025 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.916 -3.443 1.259 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.322 -1.708 4.806 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.915 -1.449 4.934 1.00 0.00 C ATOM 1027 C ARG A 61 -5.277 -1.397 3.555 1.00 0.00 C ATOM 1028 O ARG A 61 -5.908 -1.715 2.556 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.176 -2.513 5.823 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.308 -3.969 5.346 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.535 -4.653 5.913 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.315 -5.259 7.244 1.00 0.00 N ATOM 1033 CZ ARG A 61 -7.251 -5.402 8.194 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -8.410 -4.784 8.100 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -7.016 -6.140 9.246 1.00 0.00 N ATOM 0 H ARG A 61 -7.547 -2.510 4.217 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.810 -0.487 5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.118 -2.256 5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.562 -2.444 6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.355 -3.989 4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.418 -4.526 5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.345 -3.927 5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.861 -5.428 5.220 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.376 -5.595 7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.606 -4.187 7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.112 -4.903 8.831 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.117 -6.611 9.348 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.731 -6.245 9.965 1.00 0.00 H new ATOM 1049 N LEU A 62 -4.075 -0.969 3.523 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.265 -0.935 2.357 1.00 0.00 C ATOM 1051 C LEU A 62 -1.880 -1.269 2.836 1.00 0.00 C ATOM 1052 O LEU A 62 -1.464 -0.787 3.879 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.351 0.475 1.689 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.597 0.717 0.352 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.130 1.963 -0.329 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.104 0.905 0.581 1.00 0.00 C ATOM 0 H LEU A 62 -3.598 -0.612 4.351 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.584 -1.641 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.405 0.696 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.985 1.205 2.411 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.757 -0.161 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.595 2.123 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.193 1.838 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.986 2.824 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.607 1.072 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.941 1.766 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.693 0.012 1.052 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.214 -2.129 2.147 1.00 0.00 N ATOM 1069 CA VAL A 63 0.116 -2.538 2.517 1.00 0.00 C ATOM 1070 C VAL A 63 0.995 -2.196 1.352 1.00 0.00 C ATOM 1071 O VAL A 63 0.615 -2.482 0.228 1.00 0.00 O ATOM 1072 CB VAL A 63 0.201 -4.077 2.749 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.497 -4.460 3.449 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -1.016 -4.611 3.495 1.00 0.00 C ATOM 0 H VAL A 63 -1.570 -2.578 1.303 1.00 0.00 H new ATOM 0 HA VAL A 63 0.411 -2.042 3.442 1.00 0.00 H new ATOM 0 HB VAL A 63 0.203 -4.550 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.526 -5.540 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.345 -4.155 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.549 -3.960 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.914 -5.687 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.089 -4.124 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.917 -4.404 2.917 1.00 0.00 H new ATOM 1084 N TYR A 64 2.115 -1.577 1.586 1.00 0.00 N ATOM 1085 CA TYR A 64 3.011 -1.209 0.513 1.00 0.00 C ATOM 1086 C TYR A 64 4.438 -1.307 0.987 1.00 0.00 C ATOM 1087 O TYR A 64 4.684 -1.530 2.154 1.00 0.00 O ATOM 1088 CB TYR A 64 2.707 0.214 -0.029 1.00 0.00 C ATOM 1089 CG TYR A 64 2.969 1.362 0.935 1.00 0.00 C ATOM 1090 CD1 TYR A 64 2.103 1.627 1.987 1.00 0.00 C ATOM 1091 CD2 TYR A 64 4.082 2.184 0.780 1.00 0.00 C ATOM 1092 CE1 TYR A 64 2.330 2.669 2.854 1.00 0.00 C ATOM 1093 CE2 TYR A 64 4.314 3.234 1.646 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.433 3.470 2.682 1.00 0.00 C ATOM 1095 OH TYR A 64 3.656 4.511 3.550 1.00 0.00 O ATOM 0 H TYR A 64 2.438 -1.312 2.517 1.00 0.00 H new ATOM 0 HA TYR A 64 2.858 -1.905 -0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.304 0.375 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.660 0.251 -0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.233 1.002 2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.773 1.998 -0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.644 2.857 3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.179 3.867 1.514 1.00 0.00 H new ATOM 0 HH TYR A 64 4.477 4.981 3.294 1.00 0.00 H new ATOM 1105 N GLN A 65 5.353 -1.148 0.095 1.00 0.00 N ATOM 1106 CA GLN A 65 6.750 -1.181 0.396 1.00 0.00 C ATOM 1107 C GLN A 65 7.398 -0.038 -0.332 1.00 0.00 C ATOM 1108 O GLN A 65 7.024 0.264 -1.475 1.00 0.00 O ATOM 1109 CB GLN A 65 7.374 -2.485 -0.100 1.00 0.00 C ATOM 1110 CG GLN A 65 8.864 -2.617 0.213 1.00 0.00 C ATOM 1111 CD GLN A 65 9.541 -3.736 -0.549 1.00 0.00 C ATOM 1112 OE1 GLN A 65 10.495 -4.345 -0.069 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.093 -3.983 -1.753 1.00 0.00 N ATOM 0 H GLN A 65 5.149 -0.987 -0.891 1.00 0.00 H new ATOM 0 HA GLN A 65 6.895 -1.108 1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.843 -3.324 0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.231 -2.557 -1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.362 -1.676 -0.020 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.989 -2.788 1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.299 -3.458 -2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.538 -4.701 -2.325 1.00 0.00 H new ATOM 1122 N VAL A 66 8.328 0.603 0.294 1.00 0.00 N ATOM 1123 CA VAL A 66 9.045 1.640 -0.365 1.00 0.00 C ATOM 1124 C VAL A 66 10.376 1.106 -0.845 1.00 0.00 C ATOM 1125 O VAL A 66 11.143 0.496 -0.080 1.00 0.00 O ATOM 1126 CB VAL A 66 9.242 2.926 0.502 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.994 2.640 1.786 1.00 0.00 C ATOM 1128 CG2 VAL A 66 9.961 4.009 -0.296 1.00 0.00 C ATOM 0 H VAL A 66 8.608 0.427 1.259 1.00 0.00 H new ATOM 0 HA VAL A 66 8.437 1.954 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 66 8.248 3.282 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.107 3.563 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.438 1.914 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.979 2.237 1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.088 4.895 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.939 3.642 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.371 4.265 -1.176 1.00 0.00 H new ATOM 1138 N ILE A 67 10.608 1.251 -2.106 1.00 0.00 N ATOM 1139 CA ILE A 67 11.863 0.906 -2.661 1.00 0.00 C ATOM 1140 C ILE A 67 12.552 2.213 -2.938 1.00 0.00 C ATOM 1141 O ILE A 67 12.153 2.953 -3.845 1.00 0.00 O ATOM 1142 CB ILE A 67 11.730 0.107 -3.969 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.743 -1.064 -3.790 1.00 0.00 C ATOM 1144 CG2 ILE A 67 13.104 -0.430 -4.348 1.00 0.00 C ATOM 1145 CD1 ILE A 67 10.529 -1.897 -5.040 1.00 0.00 C ATOM 0 H ILE A 67 9.930 1.612 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 67 12.416 0.268 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 67 11.348 0.757 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 67 11.108 -1.713 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.782 -0.667 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.029 -1.000 -5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.794 0.402 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.474 -1.077 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.821 -2.698 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.133 -1.265 -5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.479 -2.327 -5.358 1.00 0.00 H new ATOM 1157 N ASP A 68 13.532 2.522 -2.145 1.00 0.00 N ATOM 1158 CA ASP A 68 14.202 3.799 -2.231 1.00 0.00 C ATOM 1159 C ASP A 68 15.189 3.850 -3.379 1.00 0.00 C ATOM 1160 O ASP A 68 15.397 4.908 -3.957 1.00 0.00 O ATOM 1161 CB ASP A 68 14.869 4.195 -0.898 1.00 0.00 C ATOM 1162 CG ASP A 68 16.013 3.295 -0.485 1.00 0.00 C ATOM 1163 OD1 ASP A 68 15.766 2.153 -0.051 1.00 0.00 O ATOM 1164 OD2 ASP A 68 17.177 3.721 -0.569 1.00 0.00 O ATOM 0 H ASP A 68 13.895 1.903 -1.420 1.00 0.00 H new ATOM 0 HA ASP A 68 13.429 4.539 -2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.237 5.218 -0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.115 4.189 -0.111 1.00 0.00 H new ATOM 1169 N GLU A 69 15.758 2.709 -3.753 1.00 0.00 N ATOM 1170 CA GLU A 69 16.717 2.705 -4.851 1.00 0.00 C ATOM 1171 C GLU A 69 16.035 2.734 -6.228 1.00 0.00 C ATOM 1172 O GLU A 69 16.517 3.384 -7.156 1.00 0.00 O ATOM 1173 CB GLU A 69 17.795 1.597 -4.693 1.00 0.00 C ATOM 1174 CG GLU A 69 17.307 0.145 -4.587 1.00 0.00 C ATOM 1175 CD GLU A 69 16.903 -0.471 -5.880 1.00 0.00 C ATOM 1176 OE1 GLU A 69 17.465 -0.110 -6.944 1.00 0.00 O ATOM 1177 OE2 GLU A 69 16.052 -1.365 -5.860 1.00 0.00 O ATOM 0 H GLU A 69 15.579 1.800 -3.327 1.00 0.00 H new ATOM 0 HA GLU A 69 17.270 3.643 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.473 1.663 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.380 1.821 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.099 -0.459 -4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.459 0.110 -3.903 1.00 0.00 H new ATOM 1184 N LYS A 70 14.904 2.060 -6.346 1.00 0.00 N ATOM 1185 CA LYS A 70 14.113 2.076 -7.590 1.00 0.00 C ATOM 1186 C LYS A 70 13.274 3.326 -7.636 1.00 0.00 C ATOM 1187 O LYS A 70 12.790 3.728 -8.686 1.00 0.00 O ATOM 1188 CB LYS A 70 13.186 0.869 -7.661 1.00 0.00 C ATOM 1189 CG LYS A 70 13.875 -0.461 -7.797 1.00 0.00 C ATOM 1190 CD LYS A 70 14.532 -0.642 -9.151 1.00 0.00 C ATOM 1191 CE LYS A 70 15.166 -2.019 -9.261 1.00 0.00 C ATOM 1192 NZ LYS A 70 16.322 -2.188 -8.377 1.00 0.00 N ATOM 0 H LYS A 70 14.502 1.491 -5.601 1.00 0.00 H new ATOM 0 HA LYS A 70 14.804 2.047 -8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.570 0.851 -6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.511 0.999 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.629 -0.557 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.150 -1.259 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.791 -0.513 -9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.291 0.126 -9.298 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.420 -2.777 -9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.476 -2.189 -10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.852 -3.038 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.940 -1.355 -8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.996 -2.292 -7.395 1.00 0.00 H new ATOM 1206 N VAL A 71 13.113 3.921 -6.464 1.00 0.00 N ATOM 1207 CA VAL A 71 12.344 5.126 -6.257 1.00 0.00 C ATOM 1208 C VAL A 71 10.889 4.881 -6.637 1.00 0.00 C ATOM 1209 O VAL A 71 10.385 5.394 -7.624 1.00 0.00 O ATOM 1210 CB VAL A 71 12.916 6.343 -7.032 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.241 7.610 -6.593 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.402 6.448 -6.839 1.00 0.00 C ATOM 0 H VAL A 71 13.531 3.562 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 71 12.408 5.376 -5.198 1.00 0.00 H new ATOM 0 HB VAL A 71 12.719 6.193 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.654 8.453 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.171 7.538 -6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.407 7.760 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.781 7.308 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.623 6.571 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.882 5.541 -7.207 1.00 0.00 H new ATOM 1222 N VAL A 72 10.236 4.056 -5.874 1.00 0.00 N ATOM 1223 CA VAL A 72 8.876 3.707 -6.168 1.00 0.00 C ATOM 1224 C VAL A 72 8.146 3.235 -4.914 1.00 0.00 C ATOM 1225 O VAL A 72 8.740 2.596 -4.029 1.00 0.00 O ATOM 1226 CB VAL A 72 8.810 2.615 -7.297 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.542 1.342 -6.903 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.379 2.303 -7.683 1.00 0.00 C ATOM 0 H VAL A 72 10.623 3.611 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 72 8.372 4.603 -6.531 1.00 0.00 H new ATOM 0 HB VAL A 72 9.317 3.034 -8.166 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.470 0.616 -7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.591 1.570 -6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.091 0.927 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.370 1.544 -8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.840 1.931 -6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.895 3.208 -8.050 1.00 0.00 H new ATOM 1238 N VAL A 73 6.898 3.607 -4.820 1.00 0.00 N ATOM 1239 CA VAL A 73 6.026 3.156 -3.792 1.00 0.00 C ATOM 1240 C VAL A 73 5.256 1.995 -4.376 1.00 0.00 C ATOM 1241 O VAL A 73 4.324 2.179 -5.163 1.00 0.00 O ATOM 1242 CB VAL A 73 5.052 4.277 -3.360 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.104 3.803 -2.272 1.00 0.00 C ATOM 1244 CG2 VAL A 73 5.832 5.485 -2.894 1.00 0.00 C ATOM 0 H VAL A 73 6.457 4.249 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 73 6.588 2.864 -2.905 1.00 0.00 H new ATOM 0 HB VAL A 73 4.447 4.553 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.434 4.617 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.518 2.961 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.678 3.491 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.140 6.271 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.460 5.208 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.460 5.849 -3.707 1.00 0.00 H new ATOM 1254 N PHE A 74 5.699 0.819 -4.062 1.00 0.00 N ATOM 1255 CA PHE A 74 5.120 -0.367 -4.606 1.00 0.00 C ATOM 1256 C PHE A 74 4.077 -0.920 -3.663 1.00 0.00 C ATOM 1257 O PHE A 74 4.398 -1.528 -2.647 1.00 0.00 O ATOM 1258 CB PHE A 74 6.221 -1.396 -4.934 1.00 0.00 C ATOM 1259 CG PHE A 74 5.723 -2.744 -5.392 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.685 -2.855 -6.305 1.00 0.00 C ATOM 1261 CD2 PHE A 74 6.287 -3.900 -4.888 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.229 -4.091 -6.703 1.00 0.00 C ATOM 1263 CE2 PHE A 74 5.832 -5.140 -5.285 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.800 -5.233 -6.192 1.00 0.00 C ATOM 0 H PHE A 74 6.474 0.654 -3.420 1.00 0.00 H new ATOM 0 HA PHE A 74 4.614 -0.128 -5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.864 -0.981 -5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.840 -1.537 -4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.230 -1.962 -6.708 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.094 -3.832 -4.174 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.422 -4.164 -7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.284 -6.036 -4.886 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.439 -6.203 -6.502 1.00 0.00 H new ATOM 1274 N VAL A 75 2.846 -0.653 -3.974 1.00 0.00 N ATOM 1275 CA VAL A 75 1.738 -1.126 -3.196 1.00 0.00 C ATOM 1276 C VAL A 75 1.544 -2.610 -3.441 1.00 0.00 C ATOM 1277 O VAL A 75 1.465 -3.053 -4.572 1.00 0.00 O ATOM 1278 CB VAL A 75 0.442 -0.349 -3.514 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -0.716 -0.846 -2.658 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.654 1.146 -3.312 1.00 0.00 C ATOM 0 H VAL A 75 2.577 -0.094 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 75 1.963 -0.958 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 75 0.189 -0.525 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.617 -0.282 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.886 -1.904 -2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.475 -0.707 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.269 1.679 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.936 1.337 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.447 1.494 -3.974 1.00 0.00 H new ATOM 1290 N ILE A 76 1.495 -3.341 -2.380 1.00 0.00 N ATOM 1291 CA ILE A 76 1.394 -4.775 -2.396 1.00 0.00 C ATOM 1292 C ILE A 76 -0.071 -5.216 -2.408 1.00 0.00 C ATOM 1293 O ILE A 76 -0.493 -5.989 -3.245 1.00 0.00 O ATOM 1294 CB ILE A 76 2.060 -5.351 -1.121 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.503 -4.820 -0.956 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.039 -6.872 -1.138 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.466 -5.242 -2.044 1.00 0.00 C ATOM 0 H ILE A 76 1.525 -2.949 -1.439 1.00 0.00 H new ATOM 0 HA ILE A 76 1.891 -5.142 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 76 1.481 -5.014 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.472 -3.731 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.892 -5.159 0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.512 -7.253 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.007 -7.221 -1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.582 -7.234 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.451 -4.821 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.534 -6.330 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.108 -4.880 -3.008 1.00 0.00 H new ATOM 1309 N SER A 77 -0.844 -4.715 -1.476 1.00 0.00 N ATOM 1310 CA SER A 77 -2.213 -5.135 -1.360 1.00 0.00 C ATOM 1311 C SER A 77 -3.075 -3.956 -0.974 1.00 0.00 C ATOM 1312 O SER A 77 -2.598 -3.014 -0.338 1.00 0.00 O ATOM 1313 CB SER A 77 -2.330 -6.268 -0.317 1.00 0.00 C ATOM 1314 OG SER A 77 -3.643 -6.814 -0.271 1.00 0.00 O ATOM 0 H SER A 77 -0.548 -4.019 -0.791 1.00 0.00 H new ATOM 0 HA SER A 77 -2.559 -5.518 -2.320 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.617 -7.057 -0.557 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.062 -5.884 0.667 1.00 0.00 H new ATOM 0 HG SER A 77 -3.677 -7.529 0.399 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.322 -4.010 -1.360 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.286 -2.975 -1.084 1.00 0.00 C ATOM 1322 C VAL A 78 -6.568 -3.661 -0.632 1.00 0.00 C ATOM 1323 O VAL A 78 -6.897 -4.734 -1.126 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.596 -2.116 -2.368 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -6.588 -1.007 -2.068 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -4.334 -1.521 -2.971 1.00 0.00 C ATOM 0 H VAL A 78 -4.706 -4.794 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.889 -2.305 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.037 -2.797 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.779 -0.434 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.521 -1.441 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.177 -0.348 -1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.593 -0.937 -3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.850 -0.876 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.653 -2.323 -3.254 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.225 -3.112 0.341 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.493 -3.634 0.738 1.00 0.00 C ATOM 1338 C GLY A 79 -8.463 -4.285 2.087 1.00 0.00 C ATOM 1339 O GLY A 79 -7.585 -4.017 2.910 1.00 0.00 O ATOM 0 H GLY A 79 -6.904 -2.304 0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.225 -2.827 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.828 -4.360 -0.002 1.00 0.00 H new ATOM 1343 N LYS A 80 -9.421 -5.115 2.341 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.480 -5.835 3.574 1.00 0.00 C ATOM 1345 C LYS A 80 -8.933 -7.212 3.423 1.00 0.00 C ATOM 1346 O LYS A 80 -8.819 -7.759 2.318 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.893 -5.990 4.135 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.528 -4.766 4.709 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.878 -5.072 5.399 1.00 0.00 C ATOM 1350 CE LYS A 80 -12.762 -5.970 6.673 1.00 0.00 C ATOM 1351 NZ LYS A 80 -12.559 -7.435 6.416 1.00 0.00 N ATOM 0 H LYS A 80 -10.188 -5.315 1.699 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.886 -5.234 4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.536 -6.364 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.868 -6.755 4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.849 -4.312 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.686 -4.035 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.353 -4.131 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.536 -5.563 4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.931 -5.607 7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.667 -5.845 7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.234 -7.984 6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.714 -7.635 5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.588 -7.702 6.677 1.00 0.00 H new ATOM 1715 N GLU B 54 -1.853 -6.970 14.278 1.00 0.00 N ATOM 1716 CA GLU B 54 -2.137 -6.683 12.864 1.00 0.00 C ATOM 1717 C GLU B 54 -0.869 -6.708 12.006 1.00 0.00 C ATOM 1718 O GLU B 54 -0.903 -7.024 10.835 1.00 0.00 O ATOM 1719 CB GLU B 54 -2.827 -5.332 12.728 1.00 0.00 C ATOM 1720 CG GLU B 54 -2.056 -4.197 13.375 1.00 0.00 C ATOM 1721 CD GLU B 54 -2.688 -2.864 13.155 1.00 0.00 C ATOM 1722 OE1 GLU B 54 -3.765 -2.605 13.728 1.00 0.00 O ATOM 1723 OE2 GLU B 54 -2.097 -2.029 12.454 1.00 0.00 O ATOM 0 HA GLU B 54 -2.799 -7.469 12.501 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -2.969 -5.109 11.671 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -3.818 -5.391 13.177 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -1.977 -4.383 14.446 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -1.041 -4.182 12.978 1.00 0.00 H new ATOM 1730 N ASP B 55 0.251 -6.416 12.605 1.00 0.00 N ATOM 1731 CA ASP B 55 1.506 -6.405 11.887 1.00 0.00 C ATOM 1732 C ASP B 55 1.919 -7.796 11.510 1.00 0.00 C ATOM 1733 O ASP B 55 2.557 -8.002 10.498 1.00 0.00 O ATOM 1734 CB ASP B 55 2.578 -5.716 12.692 1.00 0.00 C ATOM 1735 CG ASP B 55 2.206 -4.299 12.938 1.00 0.00 C ATOM 1736 OD1 ASP B 55 2.458 -3.467 12.088 1.00 0.00 O ATOM 1737 OD2 ASP B 55 1.587 -4.016 13.973 1.00 0.00 O ATOM 0 H ASP B 55 0.326 -6.180 13.595 1.00 0.00 H new ATOM 0 HA ASP B 55 1.366 -5.839 10.966 1.00 0.00 H new ATOM 0 HB2 ASP B 55 2.718 -6.233 13.642 1.00 0.00 H new ATOM 0 HB3 ASP B 55 3.528 -5.763 12.160 1.00 0.00 H new ATOM 1742 N ALA B 56 1.496 -8.756 12.302 1.00 0.00 N ATOM 1743 CA ALA B 56 1.781 -10.165 12.023 1.00 0.00 C ATOM 1744 C ALA B 56 0.867 -10.657 10.913 1.00 0.00 C ATOM 1745 O ALA B 56 1.191 -11.589 10.179 1.00 0.00 O ATOM 1746 CB ALA B 56 1.559 -11.005 13.270 1.00 0.00 C ATOM 0 H ALA B 56 0.951 -8.596 13.149 1.00 0.00 H new ATOM 0 HA ALA B 56 2.822 -10.260 11.713 1.00 0.00 H new ATOM 0 HB1 ALA B 56 1.775 -12.050 13.048 1.00 0.00 H new ATOM 0 HB2 ALA B 56 2.220 -10.659 14.064 1.00 0.00 H new ATOM 0 HB3 ALA B 56 0.523 -10.909 13.593 1.00 0.00 H new ATOM 1752 N GLU B 57 -0.233 -9.968 10.770 1.00 0.00 N ATOM 1753 CA GLU B 57 -1.272 -10.299 9.848 1.00 0.00 C ATOM 1754 C GLU B 57 -0.863 -9.801 8.477 1.00 0.00 C ATOM 1755 O GLU B 57 -0.917 -10.516 7.488 1.00 0.00 O ATOM 1756 CB GLU B 57 -2.499 -9.561 10.327 1.00 0.00 C ATOM 1757 CG GLU B 57 -3.771 -9.789 9.586 1.00 0.00 C ATOM 1758 CD GLU B 57 -4.842 -8.900 10.143 1.00 0.00 C ATOM 1759 OE1 GLU B 57 -5.401 -9.209 11.237 1.00 0.00 O ATOM 1760 OE2 GLU B 57 -5.117 -7.855 9.542 1.00 0.00 O ATOM 0 H GLU B 57 -0.432 -9.130 11.316 1.00 0.00 H new ATOM 0 HA GLU B 57 -1.461 -11.371 9.789 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -2.665 -9.827 11.371 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -2.281 -8.493 10.301 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -3.628 -9.583 8.525 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -4.071 -10.834 9.670 1.00 0.00 H new ATOM 1767 N LEU B 58 -0.409 -8.579 8.440 1.00 0.00 N ATOM 1768 CA LEU B 58 -0.011 -7.972 7.205 1.00 0.00 C ATOM 1769 C LEU B 58 1.306 -8.515 6.664 1.00 0.00 C ATOM 1770 O LEU B 58 1.510 -8.507 5.453 1.00 0.00 O ATOM 1771 CB LEU B 58 -0.015 -6.437 7.276 1.00 0.00 C ATOM 1772 CG LEU B 58 -1.401 -5.727 7.207 1.00 0.00 C ATOM 1773 CD1 LEU B 58 -2.351 -6.130 8.320 1.00 0.00 C ATOM 1774 CD2 LEU B 58 -1.233 -4.226 7.182 1.00 0.00 C ATOM 0 H LEU B 58 -0.306 -7.981 9.260 1.00 0.00 H new ATOM 0 HA LEU B 58 -0.774 -8.258 6.482 1.00 0.00 H new ATOM 0 HB2 LEU B 58 0.471 -6.140 8.205 1.00 0.00 H new ATOM 0 HB3 LEU B 58 0.600 -6.059 6.459 1.00 0.00 H new ATOM 0 HG LEU B 58 -1.859 -6.061 6.276 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -3.294 -5.595 8.205 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -2.535 -7.203 8.271 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -1.908 -5.881 9.284 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -2.213 -3.751 7.134 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -0.717 -3.903 8.086 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -0.648 -3.940 6.308 1.00 0.00 H new ATOM 1786 N VAL B 59 2.197 -9.022 7.534 1.00 0.00 N ATOM 1787 CA VAL B 59 3.465 -9.575 7.036 1.00 0.00 C ATOM 1788 C VAL B 59 3.253 -10.841 6.213 1.00 0.00 C ATOM 1789 O VAL B 59 3.946 -11.057 5.215 1.00 0.00 O ATOM 1790 CB VAL B 59 4.575 -9.812 8.110 1.00 0.00 C ATOM 1791 CG1 VAL B 59 5.012 -8.513 8.758 1.00 0.00 C ATOM 1792 CG2 VAL B 59 4.159 -10.837 9.153 1.00 0.00 C ATOM 0 H VAL B 59 2.071 -9.060 8.545 1.00 0.00 H new ATOM 0 HA VAL B 59 3.847 -8.779 6.397 1.00 0.00 H new ATOM 0 HB VAL B 59 5.435 -10.225 7.583 1.00 0.00 H new ATOM 0 HG11 VAL B 59 5.785 -8.718 9.499 1.00 0.00 H new ATOM 0 HG12 VAL B 59 5.409 -7.842 7.996 1.00 0.00 H new ATOM 0 HG13 VAL B 59 4.157 -8.044 9.245 1.00 0.00 H new ATOM 0 HG21 VAL B 59 4.964 -10.967 9.877 1.00 0.00 H new ATOM 0 HG22 VAL B 59 3.262 -10.491 9.666 1.00 0.00 H new ATOM 0 HG23 VAL B 59 3.953 -11.790 8.665 1.00 0.00 H new ATOM 1802 N GLU B 60 2.272 -11.656 6.589 1.00 0.00 N ATOM 1803 CA GLU B 60 2.002 -12.874 5.853 1.00 0.00 C ATOM 1804 C GLU B 60 1.308 -12.571 4.520 1.00 0.00 C ATOM 1805 O GLU B 60 1.421 -13.331 3.561 1.00 0.00 O ATOM 1806 CB GLU B 60 1.227 -13.901 6.689 1.00 0.00 C ATOM 1807 CG GLU B 60 -0.089 -13.407 7.254 1.00 0.00 C ATOM 1808 CD GLU B 60 -0.825 -14.483 7.992 1.00 0.00 C ATOM 1809 OE1 GLU B 60 -1.608 -15.208 7.358 1.00 0.00 O ATOM 1810 OE2 GLU B 60 -0.601 -14.666 9.201 1.00 0.00 O ATOM 0 H GLU B 60 1.661 -11.493 7.389 1.00 0.00 H new ATOM 0 HA GLU B 60 2.963 -13.334 5.624 1.00 0.00 H new ATOM 0 HB2 GLU B 60 1.033 -14.778 6.071 1.00 0.00 H new ATOM 0 HB3 GLU B 60 1.860 -14.227 7.515 1.00 0.00 H new ATOM 0 HG2 GLU B 60 0.097 -12.569 7.926 1.00 0.00 H new ATOM 0 HG3 GLU B 60 -0.713 -13.032 6.443 1.00 0.00 H new ATOM 1817 N ILE B 61 0.638 -11.439 4.464 1.00 0.00 N ATOM 1818 CA ILE B 61 -0.047 -10.991 3.258 1.00 0.00 C ATOM 1819 C ILE B 61 0.964 -10.441 2.236 1.00 0.00 C ATOM 1820 O ILE B 61 0.924 -10.785 1.051 1.00 0.00 O ATOM 1821 CB ILE B 61 -1.114 -9.907 3.597 1.00 0.00 C ATOM 1822 CG1 ILE B 61 -2.185 -10.498 4.530 1.00 0.00 C ATOM 1823 CG2 ILE B 61 -1.762 -9.350 2.324 1.00 0.00 C ATOM 1824 CD1 ILE B 61 -3.217 -9.492 5.003 1.00 0.00 C ATOM 0 H ILE B 61 0.550 -10.798 5.253 1.00 0.00 H new ATOM 0 HA ILE B 61 -0.556 -11.849 2.819 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.614 -9.082 4.105 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.695 -11.310 4.012 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -1.693 -10.934 5.399 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -2.502 -8.596 2.592 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -0.996 -8.898 1.693 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -2.249 -10.159 1.780 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.936 -9.988 5.656 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.720 -8.692 5.551 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -3.738 -9.073 4.142 1.00 0.00 H new ATOM 1836 N VAL B 62 1.881 -9.616 2.703 1.00 0.00 N ATOM 1837 CA VAL B 62 2.883 -9.021 1.830 1.00 0.00 C ATOM 1838 C VAL B 62 3.849 -10.076 1.260 1.00 0.00 C ATOM 1839 O VAL B 62 4.107 -10.108 0.036 1.00 0.00 O ATOM 1840 CB VAL B 62 3.635 -7.804 2.499 1.00 0.00 C ATOM 1841 CG1 VAL B 62 4.261 -8.189 3.811 1.00 0.00 C ATOM 1842 CG2 VAL B 62 4.696 -7.220 1.580 1.00 0.00 C ATOM 0 H VAL B 62 1.956 -9.340 3.682 1.00 0.00 H new ATOM 0 HA VAL B 62 2.343 -8.601 0.981 1.00 0.00 H new ATOM 0 HB VAL B 62 2.878 -7.042 2.684 1.00 0.00 H new ATOM 0 HG11 VAL B 62 4.769 -7.325 4.239 1.00 0.00 H new ATOM 0 HG12 VAL B 62 3.486 -8.532 4.497 1.00 0.00 H new ATOM 0 HG13 VAL B 62 4.982 -8.990 3.649 1.00 0.00 H new ATOM 0 HG21 VAL B 62 5.189 -6.385 2.078 1.00 0.00 H new ATOM 0 HG22 VAL B 62 5.433 -7.987 1.341 1.00 0.00 H new ATOM 0 HG23 VAL B 62 4.228 -6.868 0.661 1.00 0.00 H new ATOM 1852 N LYS B 63 4.307 -10.998 2.120 1.00 0.00 N ATOM 1853 CA LYS B 63 5.234 -12.050 1.695 1.00 0.00 C ATOM 1854 C LYS B 63 4.566 -12.974 0.674 1.00 0.00 C ATOM 1855 O LYS B 63 5.246 -13.614 -0.130 1.00 0.00 O ATOM 1856 CB LYS B 63 5.764 -12.854 2.890 1.00 0.00 C ATOM 1857 CG LYS B 63 4.714 -13.686 3.600 1.00 0.00 C ATOM 1858 CD LYS B 63 5.267 -14.416 4.818 1.00 0.00 C ATOM 1859 CE LYS B 63 6.418 -15.333 4.439 1.00 0.00 C ATOM 1860 NZ LYS B 63 6.861 -16.169 5.567 1.00 0.00 N ATOM 0 H LYS B 63 4.051 -11.034 3.107 1.00 0.00 H new ATOM 0 HA LYS B 63 6.088 -11.567 1.221 1.00 0.00 H new ATOM 0 HB2 LYS B 63 6.560 -13.514 2.544 1.00 0.00 H new ATOM 0 HB3 LYS B 63 6.210 -12.165 3.607 1.00 0.00 H new ATOM 0 HG2 LYS B 63 3.893 -13.040 3.911 1.00 0.00 H new ATOM 0 HG3 LYS B 63 4.300 -14.414 2.902 1.00 0.00 H new ATOM 0 HD2 LYS B 63 5.606 -13.690 5.556 1.00 0.00 H new ATOM 0 HD3 LYS B 63 4.474 -14.999 5.286 1.00 0.00 H new ATOM 0 HE2 LYS B 63 6.112 -15.974 3.613 1.00 0.00 H new ATOM 0 HE3 LYS B 63 7.256 -14.733 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 7.647 -16.777 5.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 7.179 -15.559 6.347 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 6.070 -16.762 5.891 1.00 0.00 H new ATOM 1874 N GLU B 64 3.230 -13.024 0.710 1.00 0.00 N ATOM 1875 CA GLU B 64 2.462 -13.775 -0.255 1.00 0.00 C ATOM 1876 C GLU B 64 2.617 -13.148 -1.617 1.00 0.00 C ATOM 1877 O GLU B 64 3.104 -13.762 -2.539 1.00 0.00 O ATOM 1878 CB GLU B 64 0.968 -13.816 0.115 1.00 0.00 C ATOM 1879 CG GLU B 64 0.087 -14.333 -1.018 1.00 0.00 C ATOM 1880 CD GLU B 64 -1.367 -14.429 -0.672 1.00 0.00 C ATOM 1881 OE1 GLU B 64 -1.761 -15.395 0.009 1.00 0.00 O ATOM 1882 OE2 GLU B 64 -2.145 -13.552 -1.094 1.00 0.00 O ATOM 0 H GLU B 64 2.665 -12.543 1.410 1.00 0.00 H new ATOM 0 HA GLU B 64 2.839 -14.798 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU B 64 0.834 -14.451 0.991 1.00 0.00 H new ATOM 0 HB3 GLU B 64 0.641 -12.814 0.394 1.00 0.00 H new ATOM 0 HG2 GLU B 64 0.201 -13.676 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU B 64 0.443 -15.318 -1.319 1.00 0.00 H new ATOM 1889 N ARG B 65 2.261 -11.904 -1.719 1.00 0.00 N ATOM 1890 CA ARG B 65 2.275 -11.240 -2.991 1.00 0.00 C ATOM 1891 C ARG B 65 3.686 -10.940 -3.482 1.00 0.00 C ATOM 1892 O ARG B 65 3.894 -10.768 -4.656 1.00 0.00 O ATOM 1893 CB ARG B 65 1.388 -10.010 -2.970 1.00 0.00 C ATOM 1894 CG ARG B 65 -0.086 -10.338 -2.766 1.00 0.00 C ATOM 1895 CD ARG B 65 -0.941 -9.092 -2.790 1.00 0.00 C ATOM 1896 NE ARG B 65 -2.365 -9.390 -2.554 1.00 0.00 N ATOM 1897 CZ ARG B 65 -3.393 -8.753 -3.129 1.00 0.00 C ATOM 1898 NH1 ARG B 65 -3.170 -7.836 -4.067 1.00 0.00 N ATOM 1899 NH2 ARG B 65 -4.647 -9.082 -2.793 1.00 0.00 N ATOM 0 H ARG B 65 1.956 -11.325 -0.936 1.00 0.00 H new ATOM 0 HA ARG B 65 1.855 -11.930 -3.723 1.00 0.00 H new ATOM 0 HB2 ARG B 65 1.719 -9.344 -2.173 1.00 0.00 H new ATOM 0 HB3 ARG B 65 1.507 -9.468 -3.908 1.00 0.00 H new ATOM 0 HG2 ARG B 65 -0.418 -11.023 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG B 65 -0.217 -10.852 -1.814 1.00 0.00 H new ATOM 0 HD2 ARG B 65 -0.586 -8.395 -2.030 1.00 0.00 H new ATOM 0 HD3 ARG B 65 -0.830 -8.596 -3.754 1.00 0.00 H new ATOM 0 HE ARG B 65 -2.585 -10.142 -1.900 1.00 0.00 H new ATOM 0 HH11 ARG B 65 -2.215 -7.617 -4.349 1.00 0.00 H new ATOM 0 HH12 ARG B 65 -3.954 -7.352 -4.504 1.00 0.00 H new ATOM 0 HH21 ARG B 65 -4.815 -9.814 -2.103 1.00 0.00 H new ATOM 0 HH22 ARG B 65 -5.434 -8.601 -3.227 1.00 0.00 H new ATOM 1913 N LEU B 66 4.669 -10.952 -2.581 1.00 0.00 N ATOM 1914 CA LEU B 66 6.064 -10.712 -2.995 1.00 0.00 C ATOM 1915 C LEU B 66 6.663 -11.864 -3.813 1.00 0.00 C ATOM 1916 O LEU B 66 7.686 -11.677 -4.494 1.00 0.00 O ATOM 1917 CB LEU B 66 6.981 -10.377 -1.813 1.00 0.00 C ATOM 1918 CG LEU B 66 6.803 -8.997 -1.176 1.00 0.00 C ATOM 1919 CD1 LEU B 66 7.752 -8.836 0.000 1.00 0.00 C ATOM 1920 CD2 LEU B 66 7.049 -7.894 -2.205 1.00 0.00 C ATOM 0 H LEU B 66 4.538 -11.120 -1.583 1.00 0.00 H new ATOM 0 HA LEU B 66 6.011 -9.840 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU B 66 6.830 -11.131 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU B 66 8.014 -10.467 -2.148 1.00 0.00 H new ATOM 0 HG LEU B 66 5.777 -8.913 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.616 -7.850 0.445 1.00 0.00 H new ATOM 0 HD12 LEU B 66 7.541 -9.603 0.745 1.00 0.00 H new ATOM 0 HD13 LEU B 66 8.781 -8.939 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU B 66 6.918 -6.920 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU B 66 8.065 -7.976 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.340 -7.998 -3.026 1.00 0.00 H new ATOM 1932 N ARG B 67 6.048 -13.043 -3.759 1.00 0.00 N ATOM 1933 CA ARG B 67 6.566 -14.181 -4.521 1.00 0.00 C ATOM 1934 C ARG B 67 6.220 -14.037 -6.000 1.00 0.00 C ATOM 1935 O ARG B 67 7.019 -14.358 -6.872 1.00 0.00 O ATOM 1936 CB ARG B 67 6.056 -15.538 -3.970 1.00 0.00 C ATOM 1937 CG ARG B 67 4.554 -15.747 -4.080 1.00 0.00 C ATOM 1938 CD ARG B 67 4.105 -17.071 -3.495 1.00 0.00 C ATOM 1939 NE ARG B 67 4.620 -18.204 -4.256 1.00 0.00 N ATOM 1940 CZ ARG B 67 4.262 -19.481 -4.085 1.00 0.00 C ATOM 1941 NH1 ARG B 67 3.415 -19.825 -3.113 1.00 0.00 N ATOM 1942 NH2 ARG B 67 4.768 -20.413 -4.882 1.00 0.00 N ATOM 0 H ARG B 67 5.210 -13.236 -3.210 1.00 0.00 H new ATOM 0 HA ARG B 67 7.650 -14.177 -4.409 1.00 0.00 H new ATOM 0 HB2 ARG B 67 6.561 -16.343 -4.503 1.00 0.00 H new ATOM 0 HB3 ARG B 67 6.344 -15.620 -2.922 1.00 0.00 H new ATOM 0 HG2 ARG B 67 4.039 -14.934 -3.567 1.00 0.00 H new ATOM 0 HG3 ARG B 67 4.260 -15.699 -5.129 1.00 0.00 H new ATOM 0 HD2 ARG B 67 4.443 -17.144 -2.461 1.00 0.00 H new ATOM 0 HD3 ARG B 67 3.016 -17.110 -3.478 1.00 0.00 H new ATOM 0 HE ARG B 67 5.311 -18.005 -4.979 1.00 0.00 H new ATOM 0 HH11 ARG B 67 3.034 -19.111 -2.492 1.00 0.00 H new ATOM 0 HH12 ARG B 67 3.148 -20.802 -2.991 1.00 0.00 H new ATOM 0 HH21 ARG B 67 5.425 -20.153 -5.618 1.00 0.00 H new ATOM 0 HH22 ARG B 67 4.501 -21.390 -4.759 1.00 0.00 H new ATOM 1956 N ASN B 68 5.045 -13.510 -6.269 1.00 0.00 N ATOM 1957 CA ASN B 68 4.535 -13.356 -7.625 1.00 0.00 C ATOM 1958 C ASN B 68 3.628 -12.133 -7.679 1.00 0.00 C ATOM 1959 O ASN B 68 2.414 -12.256 -7.520 1.00 0.00 O ATOM 1960 CB ASN B 68 3.755 -14.626 -8.083 1.00 0.00 C ATOM 1961 CG ASN B 68 4.634 -15.836 -8.388 1.00 0.00 C ATOM 1962 OD1 ASN B 68 4.979 -16.628 -7.502 1.00 0.00 O ATOM 1963 ND2 ASN B 68 4.950 -16.025 -9.641 1.00 0.00 N ATOM 0 H ASN B 68 4.406 -13.171 -5.549 1.00 0.00 H new ATOM 0 HA ASN B 68 5.377 -13.223 -8.304 1.00 0.00 H new ATOM 0 HB2 ASN B 68 3.042 -14.898 -7.305 1.00 0.00 H new ATOM 0 HB3 ASN B 68 3.177 -14.380 -8.974 1.00 0.00 H new ATOM 0 HD21 ASN B 68 5.496 -16.843 -9.912 1.00 0.00 H new ATOM 0 HD22 ASN B 68 4.651 -15.354 -10.349 1.00 0.00 H new ATOM 1970 N PRO B 69 4.217 -10.927 -7.779 1.00 0.00 N ATOM 1971 CA PRO B 69 3.471 -9.665 -7.789 1.00 0.00 C ATOM 1972 C PRO B 69 3.127 -9.116 -9.197 1.00 0.00 C ATOM 1973 O PRO B 69 1.957 -9.094 -9.592 1.00 0.00 O ATOM 1974 CB PRO B 69 4.433 -8.689 -7.081 1.00 0.00 C ATOM 1975 CG PRO B 69 5.757 -9.414 -6.961 1.00 0.00 C ATOM 1976 CD PRO B 69 5.649 -10.672 -7.790 1.00 0.00 C ATOM 0 HA PRO B 69 2.498 -9.800 -7.316 1.00 0.00 H new ATOM 0 HB2 PRO B 69 4.544 -7.768 -7.653 1.00 0.00 H new ATOM 0 HB3 PRO B 69 4.051 -8.410 -6.099 1.00 0.00 H new ATOM 0 HG2 PRO B 69 6.574 -8.786 -7.317 1.00 0.00 H new ATOM 0 HG3 PRO B 69 5.971 -9.656 -5.920 1.00 0.00 H new ATOM 0 HD2 PRO B 69 6.029 -10.527 -8.801 1.00 0.00 H new ATOM 0 HD3 PRO B 69 6.213 -11.497 -7.353 1.00 0.00 H new ATOM 1984 N LYS B 70 4.168 -8.714 -9.947 1.00 0.00 N ATOM 1985 CA LYS B 70 4.039 -8.024 -11.247 1.00 0.00 C ATOM 1986 C LYS B 70 3.501 -6.604 -11.073 1.00 0.00 C ATOM 1987 O LYS B 70 2.296 -6.374 -11.163 1.00 0.00 O ATOM 1988 CB LYS B 70 3.213 -8.779 -12.323 1.00 0.00 C ATOM 1989 CG LYS B 70 3.895 -9.957 -13.013 1.00 0.00 C ATOM 1990 CD LYS B 70 4.189 -11.106 -12.079 1.00 0.00 C ATOM 1991 CE LYS B 70 4.724 -12.292 -12.843 1.00 0.00 C ATOM 1992 NZ LYS B 70 4.915 -13.442 -11.964 1.00 0.00 N ATOM 0 H LYS B 70 5.137 -8.860 -9.665 1.00 0.00 H new ATOM 0 HA LYS B 70 5.058 -7.993 -11.632 1.00 0.00 H new ATOM 0 HB2 LYS B 70 2.298 -9.143 -11.855 1.00 0.00 H new ATOM 0 HB3 LYS B 70 2.917 -8.062 -13.089 1.00 0.00 H new ATOM 0 HG2 LYS B 70 3.260 -10.311 -13.825 1.00 0.00 H new ATOM 0 HG3 LYS B 70 4.827 -9.616 -13.463 1.00 0.00 H new ATOM 0 HD2 LYS B 70 4.915 -10.794 -11.328 1.00 0.00 H new ATOM 0 HD3 LYS B 70 3.281 -11.390 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS B 70 4.033 -12.554 -13.644 1.00 0.00 H new ATOM 0 HE3 LYS B 70 5.672 -12.028 -13.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 5.284 -14.243 -12.515 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 5.593 -13.197 -11.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 4.005 -13.706 -11.535 1.00 0.00 H new ATOM 2006 N PRO B 71 4.383 -5.639 -10.772 1.00 0.00 N ATOM 2007 CA PRO B 71 3.988 -4.252 -10.603 1.00 0.00 C ATOM 2008 C PRO B 71 3.641 -3.582 -11.932 1.00 0.00 C ATOM 2009 O PRO B 71 4.220 -3.901 -12.990 1.00 0.00 O ATOM 2010 CB PRO B 71 5.210 -3.594 -9.965 1.00 0.00 C ATOM 2011 CG PRO B 71 6.365 -4.435 -10.367 1.00 0.00 C ATOM 2012 CD PRO B 71 5.833 -5.827 -10.558 1.00 0.00 C ATOM 0 HA PRO B 71 3.087 -4.160 -9.997 1.00 0.00 H new ATOM 0 HB2 PRO B 71 5.331 -2.568 -10.313 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.113 -3.553 -8.880 1.00 0.00 H new ATOM 0 HG2 PRO B 71 6.815 -4.062 -11.287 1.00 0.00 H new ATOM 0 HG3 PRO B 71 7.142 -4.418 -9.603 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.301 -6.318 -11.412 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.029 -6.451 -9.686 1.00 0.00 H new ATOM 2020 N VAL B 72 2.674 -2.721 -11.885 1.00 0.00 N ATOM 2021 CA VAL B 72 2.238 -1.961 -13.018 1.00 0.00 C ATOM 2022 C VAL B 72 2.527 -0.491 -12.745 1.00 0.00 C ATOM 2023 O VAL B 72 2.066 0.050 -11.730 1.00 0.00 O ATOM 2024 CB VAL B 72 0.712 -2.154 -13.268 1.00 0.00 C ATOM 2025 CG1 VAL B 72 0.246 -1.373 -14.493 1.00 0.00 C ATOM 2026 CG2 VAL B 72 0.370 -3.634 -13.421 1.00 0.00 C ATOM 0 H VAL B 72 2.150 -2.520 -11.033 1.00 0.00 H new ATOM 0 HA VAL B 72 2.770 -2.302 -13.906 1.00 0.00 H new ATOM 0 HB VAL B 72 0.185 -1.763 -12.398 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -0.823 -1.529 -14.639 1.00 0.00 H new ATOM 0 HG12 VAL B 72 0.440 -0.311 -14.343 1.00 0.00 H new ATOM 0 HG13 VAL B 72 0.787 -1.720 -15.373 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -0.700 -3.744 -13.595 1.00 0.00 H new ATOM 0 HG22 VAL B 72 0.919 -4.049 -14.266 1.00 0.00 H new ATOM 0 HG23 VAL B 72 0.647 -4.167 -12.512 1.00 0.00 H new ATOM 2036 N ARG B 73 3.305 0.127 -13.631 1.00 0.00 N ATOM 2037 CA ARG B 73 3.669 1.527 -13.532 1.00 0.00 C ATOM 2038 C ARG B 73 2.447 2.376 -13.675 1.00 0.00 C ATOM 2039 O ARG B 73 1.825 2.403 -14.746 1.00 0.00 O ATOM 2040 CB ARG B 73 4.623 1.915 -14.653 1.00 0.00 C ATOM 2041 CG ARG B 73 5.982 1.272 -14.619 1.00 0.00 C ATOM 2042 CD ARG B 73 6.786 1.704 -13.416 1.00 0.00 C ATOM 2043 NE ARG B 73 8.149 1.179 -13.496 1.00 0.00 N ATOM 2044 CZ ARG B 73 9.030 1.162 -12.502 1.00 0.00 C ATOM 2045 NH1 ARG B 73 8.639 1.325 -11.245 1.00 0.00 N ATOM 2046 NH2 ARG B 73 10.289 0.883 -12.762 1.00 0.00 N ATOM 0 H ARG B 73 3.702 -0.342 -14.445 1.00 0.00 H new ATOM 0 HA ARG B 73 4.144 1.681 -12.563 1.00 0.00 H new ATOM 0 HB2 ARG B 73 4.151 1.670 -15.605 1.00 0.00 H new ATOM 0 HB3 ARG B 73 4.755 2.997 -14.632 1.00 0.00 H new ATOM 0 HG2 ARG B 73 5.869 0.188 -14.609 1.00 0.00 H new ATOM 0 HG3 ARG B 73 6.526 1.527 -15.528 1.00 0.00 H new ATOM 0 HD2 ARG B 73 6.812 2.792 -13.360 1.00 0.00 H new ATOM 0 HD3 ARG B 73 6.306 1.349 -12.504 1.00 0.00 H new ATOM 0 HE ARG B 73 8.448 0.793 -14.391 1.00 0.00 H new ATOM 0 HH11 ARG B 73 7.651 1.466 -11.032 1.00 0.00 H new ATOM 0 HH12 ARG B 73 9.326 1.310 -10.491 1.00 0.00 H new ATOM 0 HH21 ARG B 73 10.580 0.683 -13.719 1.00 0.00 H new ATOM 0 HH22 ARG B 73 10.974 0.867 -12.007 1.00 0.00 H new ATOM 2060 N VAL B 74 2.085 3.046 -12.633 1.00 0.00 N ATOM 2061 CA VAL B 74 0.936 3.892 -12.659 1.00 0.00 C ATOM 2062 C VAL B 74 1.228 5.227 -12.001 1.00 0.00 C ATOM 2063 O VAL B 74 2.356 5.489 -11.486 1.00 0.00 O ATOM 2064 CB VAL B 74 -0.326 3.239 -11.987 1.00 0.00 C ATOM 2065 CG1 VAL B 74 -0.832 2.032 -12.767 1.00 0.00 C ATOM 2066 CG2 VAL B 74 -0.036 2.843 -10.556 1.00 0.00 C ATOM 0 H VAL B 74 2.576 3.024 -11.739 1.00 0.00 H new ATOM 0 HA VAL B 74 0.703 4.045 -13.713 1.00 0.00 H new ATOM 0 HB VAL B 74 -1.111 3.995 -11.995 1.00 0.00 H new ATOM 0 HG11 VAL B 74 -1.705 1.614 -12.265 1.00 0.00 H new ATOM 0 HG12 VAL B 74 -1.107 2.340 -13.776 1.00 0.00 H new ATOM 0 HG13 VAL B 74 -0.047 1.277 -12.819 1.00 0.00 H new ATOM 0 HG21 VAL B 74 -0.926 2.394 -10.115 1.00 0.00 H new ATOM 0 HG22 VAL B 74 0.782 2.122 -10.536 1.00 0.00 H new ATOM 0 HG23 VAL B 74 0.246 3.727 -9.984 1.00 0.00 H new ATOM 2076 N THR B 75 0.255 6.074 -12.085 1.00 0.00 N ATOM 2077 CA THR B 75 0.232 7.358 -11.477 1.00 0.00 C ATOM 2078 C THR B 75 -1.124 7.476 -10.808 1.00 0.00 C ATOM 2079 O THR B 75 -2.041 6.721 -11.148 1.00 0.00 O ATOM 2080 CB THR B 75 0.378 8.479 -12.536 1.00 0.00 C ATOM 2081 OG1 THR B 75 -0.599 8.297 -13.574 1.00 0.00 O ATOM 2082 CG2 THR B 75 1.780 8.503 -13.140 1.00 0.00 C ATOM 0 H THR B 75 -0.595 5.873 -12.612 1.00 0.00 H new ATOM 0 HA THR B 75 1.056 7.465 -10.772 1.00 0.00 H new ATOM 0 HB THR B 75 0.213 9.435 -12.039 1.00 0.00 H new ATOM 0 HG1 THR B 75 -0.405 8.907 -14.316 1.00 0.00 H new ATOM 0 HG21 THR B 75 1.844 9.302 -13.878 1.00 0.00 H new ATOM 0 HG22 THR B 75 2.513 8.677 -12.352 1.00 0.00 H new ATOM 0 HG23 THR B 75 1.985 7.547 -13.621 1.00 0.00 H new ATOM 2090 N LEU B 76 -1.276 8.391 -9.890 1.00 0.00 N ATOM 2091 CA LEU B 76 -2.564 8.613 -9.247 1.00 0.00 C ATOM 2092 C LEU B 76 -3.525 9.229 -10.245 1.00 0.00 C ATOM 2093 O LEU B 76 -4.749 9.082 -10.135 1.00 0.00 O ATOM 2094 CB LEU B 76 -2.393 9.514 -8.043 1.00 0.00 C ATOM 2095 CG LEU B 76 -1.559 8.942 -6.919 1.00 0.00 C ATOM 2096 CD1 LEU B 76 -1.333 9.980 -5.859 1.00 0.00 C ATOM 2097 CD2 LEU B 76 -2.217 7.717 -6.313 1.00 0.00 C ATOM 0 H LEU B 76 -0.528 9.002 -9.562 1.00 0.00 H new ATOM 0 HA LEU B 76 -2.971 7.661 -8.906 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -1.938 10.448 -8.371 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -3.380 9.760 -7.652 1.00 0.00 H new ATOM 0 HG LEU B 76 -0.598 8.640 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -0.731 9.555 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -0.811 10.833 -6.291 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -2.293 10.307 -5.459 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -1.593 7.329 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -3.195 7.988 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -2.337 6.952 -7.080 1.00 0.00 H new ATOM 2109 N ASP B 77 -2.944 9.892 -11.221 1.00 0.00 N ATOM 2110 CA ASP B 77 -3.655 10.501 -12.326 1.00 0.00 C ATOM 2111 C ASP B 77 -4.453 9.457 -13.099 1.00 0.00 C ATOM 2112 O ASP B 77 -5.642 9.649 -13.373 1.00 0.00 O ATOM 2113 CB ASP B 77 -2.655 11.200 -13.252 1.00 0.00 C ATOM 2114 CG ASP B 77 -3.278 11.749 -14.516 1.00 0.00 C ATOM 2115 OD1 ASP B 77 -3.905 12.828 -14.474 1.00 0.00 O ATOM 2116 OD2 ASP B 77 -3.119 11.127 -15.585 1.00 0.00 O ATOM 0 H ASP B 77 -1.934 10.027 -11.270 1.00 0.00 H new ATOM 0 HA ASP B 77 -4.357 11.235 -11.931 1.00 0.00 H new ATOM 0 HB2 ASP B 77 -2.179 12.016 -12.708 1.00 0.00 H new ATOM 0 HB3 ASP B 77 -1.869 10.495 -13.522 1.00 0.00 H new ATOM 2121 N GLU B 78 -3.829 8.331 -13.401 1.00 0.00 N ATOM 2122 CA GLU B 78 -4.503 7.298 -14.171 1.00 0.00 C ATOM 2123 C GLU B 78 -5.322 6.341 -13.298 1.00 0.00 C ATOM 2124 O GLU B 78 -5.980 5.447 -13.823 1.00 0.00 O ATOM 2125 CB GLU B 78 -3.542 6.523 -15.086 1.00 0.00 C ATOM 2126 CG GLU B 78 -2.444 5.754 -14.372 1.00 0.00 C ATOM 2127 CD GLU B 78 -1.635 4.915 -15.329 1.00 0.00 C ATOM 2128 OE1 GLU B 78 -2.043 3.768 -15.622 1.00 0.00 O ATOM 2129 OE2 GLU B 78 -0.590 5.393 -15.829 1.00 0.00 O ATOM 0 H GLU B 78 -2.871 8.110 -13.130 1.00 0.00 H new ATOM 0 HA GLU B 78 -5.207 7.829 -14.811 1.00 0.00 H new ATOM 0 HB2 GLU B 78 -4.123 5.822 -15.685 1.00 0.00 H new ATOM 0 HB3 GLU B 78 -3.079 7.226 -15.778 1.00 0.00 H new ATOM 0 HG2 GLU B 78 -1.786 6.454 -13.857 1.00 0.00 H new ATOM 0 HG3 GLU B 78 -2.886 5.112 -13.610 1.00 0.00 H new ATOM 2136 N LEU B 79 -5.285 6.517 -11.979 1.00 0.00 N ATOM 2137 CA LEU B 79 -6.079 5.672 -11.106 1.00 0.00 C ATOM 2138 C LEU B 79 -7.511 6.166 -11.069 1.00 0.00 C ATOM 2139 O LEU B 79 -7.773 7.197 -10.411 1.00 0.00 O ATOM 2140 CB LEU B 79 -5.515 5.597 -9.684 1.00 0.00 C ATOM 2141 CG LEU B 79 -4.091 5.069 -9.526 1.00 0.00 C ATOM 2142 CD1 LEU B 79 -3.770 4.882 -8.061 1.00 0.00 C ATOM 2143 CD2 LEU B 79 -3.886 3.772 -10.291 1.00 0.00 C ATOM 2144 OXT LEU B 79 -8.389 5.539 -11.706 1.00 0.00 O ATOM 0 H LEU B 79 -4.724 7.224 -11.503 1.00 0.00 H new ATOM 0 HA LEU B 79 -6.044 4.664 -11.518 1.00 0.00 H new ATOM 0 HB2 LEU B 79 -5.555 6.597 -9.251 1.00 0.00 H new ATOM 0 HB3 LEU B 79 -6.177 4.966 -9.091 1.00 0.00 H new ATOM 0 HG LEU B 79 -3.408 5.806 -9.949 1.00 0.00 H new ATOM 0 HD11 LEU B 79 -2.753 4.505 -7.957 1.00 0.00 H new ATOM 0 HD12 LEU B 79 -3.858 5.838 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU B 79 -4.468 4.168 -7.624 1.00 0.00 H new ATOM 0 HD21 LEU B 79 -2.861 3.427 -10.155 1.00 0.00 H new ATOM 0 HD22 LEU B 79 -4.576 3.016 -9.917 1.00 0.00 H new ATOM 0 HD23 LEU B 79 -4.074 3.941 -11.351 1.00 0.00 H new