USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 55 TYR OH : rot 30:sc= -1.46 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.6) USER MOD Single : A 15 SER OG : rot 75:sc= 0.415 USER MOD Single : A 22 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.43) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 26:sc= 0.467 USER MOD Single : A 46 HIS : no HE2:sc= -2.37 X(o=-2.4,f=-2.8) USER MOD Single : A 51 ASN : amide:sc= -8.08! C(o=-8.1!,f=-13!) USER MOD Single : A 57 ASN : amide:sc= -1.2 K(o=-1.2,f=-6.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc=-0.00936 X(o=-0.0094,f=-0.0094) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.461 K(o=-0.46,f=-1.8!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.886 K(o=-0.89,f=-2.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00587 USER MOD Single : A 89 HIS : no HD1:sc= -1.45! C(o=-1.5!,f=-2.7!) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.187 22.169 -19.111 1.00 0.00 N ATOM 2 CA MET A 1 10.548 21.159 -19.951 1.00 0.00 C ATOM 3 C MET A 1 11.262 19.832 -19.837 1.00 0.00 C ATOM 4 O MET A 1 10.645 18.775 -19.649 1.00 0.00 O ATOM 5 CB MET A 1 10.512 21.645 -21.426 1.00 0.00 C ATOM 6 CG MET A 1 9.296 22.510 -21.821 1.00 0.00 C ATOM 7 SD MET A 1 9.789 23.730 -23.049 1.00 0.00 S ATOM 8 CE MET A 1 9.074 22.950 -24.502 1.00 0.00 C ATOM 0 H1 MET A 1 10.679 23.072 -19.206 1.00 0.00 H new ATOM 0 H2 MET A 1 11.162 21.861 -18.118 1.00 0.00 H new ATOM 0 H3 MET A 1 12.175 22.295 -19.410 1.00 0.00 H new ATOM 0 HA MET A 1 9.524 21.013 -19.606 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.419 22.217 -21.622 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.539 20.771 -22.077 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.503 21.878 -22.221 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.892 23.010 -20.940 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.275 23.563 -25.380 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.516 21.963 -24.640 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.997 22.850 -24.368 1.00 0.00 H new ATOM 9 N LYS A 2 12.737 19.871 -19.935 1.00 0.00 N ATOM 10 CA LYS A 2 13.555 18.675 -19.765 1.00 0.00 C ATOM 11 C LYS A 2 14.785 18.973 -18.939 1.00 0.00 C ATOM 12 O LYS A 2 15.593 19.853 -19.267 1.00 0.00 O ATOM 13 CB LYS A 2 13.946 18.111 -21.159 1.00 0.00 C ATOM 14 CG LYS A 2 14.733 16.779 -21.086 1.00 0.00 C ATOM 15 CD LYS A 2 16.254 16.933 -21.011 1.00 0.00 C ATOM 16 CE LYS A 2 16.840 16.869 -22.428 1.00 0.00 C ATOM 17 NZ LYS A 2 17.000 15.460 -22.829 1.00 0.00 N ATOM 0 H LYS A 2 13.270 20.720 -20.124 1.00 0.00 H new ATOM 0 HA LYS A 2 12.975 17.924 -19.229 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.041 17.958 -21.747 1.00 0.00 H new ATOM 0 HB3 LYS A 2 14.548 18.851 -21.686 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.395 16.222 -20.212 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.486 16.179 -21.962 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.512 17.882 -20.541 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.681 16.144 -20.392 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.184 17.385 -23.128 1.00 0.00 H new ATOM 0 HE3 LYS A 2 17.803 17.379 -22.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.397 15.415 -23.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.642 14.981 -22.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.073 14.988 -22.815 1.00 0.00 H new ATOM 18 N LYS A 3 14.956 18.174 -17.706 1.00 0.00 N ATOM 19 CA LYS A 3 16.139 18.300 -16.860 1.00 0.00 C ATOM 20 C LYS A 3 16.635 16.943 -16.418 1.00 0.00 C ATOM 21 O LYS A 3 16.236 15.898 -16.950 1.00 0.00 O ATOM 22 CB LYS A 3 15.807 19.196 -15.635 1.00 0.00 C ATOM 23 CG LYS A 3 14.797 20.326 -15.953 1.00 0.00 C ATOM 24 CD LYS A 3 14.214 21.032 -14.725 1.00 0.00 C ATOM 25 CE LYS A 3 15.255 22.006 -14.159 1.00 0.00 C ATOM 26 NZ LYS A 3 15.914 21.395 -12.992 1.00 0.00 N ATOM 0 H LYS A 3 14.272 17.495 -17.371 1.00 0.00 H new ATOM 0 HA LYS A 3 16.938 18.768 -17.436 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.403 18.572 -14.837 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.729 19.639 -15.258 1.00 0.00 H new ATOM 0 HG2 LYS A 3 15.290 21.068 -16.581 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.977 19.908 -16.537 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.306 21.570 -14.997 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.935 20.299 -13.968 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.994 22.249 -14.922 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.775 22.941 -13.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 16.620 22.055 -12.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 15.203 21.185 -12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 16.385 20.514 -13.281 1.00 0.00 H new ATOM 27 N ALA A 4 17.623 16.933 -15.318 1.00 0.00 N ATOM 28 CA ALA A 4 18.115 15.692 -14.728 1.00 0.00 C ATOM 29 C ALA A 4 17.108 15.106 -13.765 1.00 0.00 C ATOM 30 O ALA A 4 17.147 13.911 -13.433 1.00 0.00 O ATOM 31 CB ALA A 4 19.468 15.997 -14.062 1.00 0.00 C ATOM 0 H ALA A 4 18.019 17.778 -14.906 1.00 0.00 H new ATOM 0 HA ALA A 4 18.258 14.931 -15.495 1.00 0.00 H new ATOM 0 HB1 ALA A 4 19.864 15.088 -13.610 1.00 0.00 H new ATOM 0 HB2 ALA A 4 20.168 16.364 -14.812 1.00 0.00 H new ATOM 0 HB3 ALA A 4 19.331 16.755 -13.291 1.00 0.00 H new ATOM 32 N THR A 5 16.091 16.032 -13.222 1.00 0.00 N ATOM 33 CA THR A 5 15.170 15.633 -12.161 1.00 0.00 C ATOM 34 C THR A 5 13.790 15.359 -12.712 1.00 0.00 C ATOM 35 O THR A 5 12.796 15.986 -12.324 1.00 0.00 O ATOM 36 CB THR A 5 15.108 16.734 -11.049 1.00 0.00 C ATOM 37 OG1 THR A 5 16.405 17.251 -10.784 1.00 0.00 O ATOM 38 CG2 THR A 5 14.580 16.285 -9.669 1.00 0.00 C ATOM 0 H THR A 5 15.967 16.991 -13.545 1.00 0.00 H new ATOM 0 HA THR A 5 15.544 14.710 -11.718 1.00 0.00 H new ATOM 0 HB THR A 5 14.409 17.455 -11.473 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.347 17.939 -10.088 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.584 17.133 -8.984 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.563 15.908 -9.774 1.00 0.00 H new ATOM 0 HG23 THR A 5 15.220 15.496 -9.274 1.00 0.00 H new ATOM 39 N CYS A 6 13.702 14.326 -13.767 1.00 0.00 N ATOM 40 CA CYS A 6 12.429 13.919 -14.354 1.00 0.00 C ATOM 41 C CYS A 6 11.764 12.837 -13.536 1.00 0.00 C ATOM 42 O CYS A 6 10.923 12.071 -14.036 1.00 0.00 O ATOM 43 CB CYS A 6 12.680 13.480 -15.811 1.00 0.00 C ATOM 44 SG CYS A 6 11.247 13.854 -16.847 1.00 0.00 S ATOM 0 H CYS A 6 14.512 13.837 -14.148 1.00 0.00 H new ATOM 0 HA CYS A 6 11.736 14.760 -14.353 1.00 0.00 H new ATOM 0 HB2 CYS A 6 13.561 13.989 -16.203 1.00 0.00 H new ATOM 0 HB3 CYS A 6 12.889 12.411 -15.843 1.00 0.00 H new ATOM 0 HG CYS A 6 11.484 13.477 -18.068 1.00 0.00 H new ATOM 45 N LEU A 7 12.187 12.709 -12.125 1.00 0.00 N ATOM 46 CA LEU A 7 11.505 11.818 -11.190 1.00 0.00 C ATOM 47 C LEU A 7 10.057 12.216 -11.024 1.00 0.00 C ATOM 48 O LEU A 7 9.720 13.176 -10.318 1.00 0.00 O ATOM 49 CB LEU A 7 12.238 11.800 -9.819 1.00 0.00 C ATOM 50 CG LEU A 7 13.487 10.890 -9.670 1.00 0.00 C ATOM 51 CD1 LEU A 7 14.385 11.020 -10.909 1.00 0.00 C ATOM 52 CD2 LEU A 7 14.303 11.203 -8.405 1.00 0.00 C ATOM 0 H LEU A 7 12.968 13.224 -11.718 1.00 0.00 H new ATOM 0 HA LEU A 7 11.528 10.809 -11.602 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.540 12.822 -9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.516 11.502 -9.059 1.00 0.00 H new ATOM 0 HG LEU A 7 13.123 9.867 -9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.258 10.378 -10.794 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.827 10.719 -11.796 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.708 12.055 -11.017 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.164 10.536 -8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.646 12.237 -8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.678 11.058 -7.524 1.00 0.00 H new ATOM 53 N THR A 8 9.065 11.407 -11.768 1.00 0.00 N ATOM 54 CA THR A 8 7.656 11.780 -11.831 1.00 0.00 C ATOM 55 C THR A 8 6.807 10.876 -10.969 1.00 0.00 C ATOM 56 O THR A 8 7.266 9.855 -10.439 1.00 0.00 O ATOM 57 CB THR A 8 7.147 11.768 -13.313 1.00 0.00 C ATOM 58 OG1 THR A 8 8.233 11.949 -14.213 1.00 0.00 O ATOM 59 CG2 THR A 8 6.136 12.869 -13.698 1.00 0.00 C ATOM 0 H THR A 8 9.296 10.553 -12.276 1.00 0.00 H new ATOM 0 HA THR A 8 7.563 12.794 -11.441 1.00 0.00 H new ATOM 0 HB THR A 8 6.652 10.800 -13.385 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.900 11.938 -15.134 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.858 12.757 -14.746 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.246 12.780 -13.075 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.589 13.849 -13.545 1.00 0.00 H new ATOM 60 N ASP A 9 5.403 11.302 -10.763 1.00 0.00 N ATOM 61 CA ASP A 9 4.437 10.459 -10.064 1.00 0.00 C ATOM 62 C ASP A 9 4.313 9.113 -10.742 1.00 0.00 C ATOM 63 O ASP A 9 3.887 8.116 -10.143 1.00 0.00 O ATOM 64 CB ASP A 9 3.066 11.173 -9.950 1.00 0.00 C ATOM 65 CG ASP A 9 3.049 12.697 -10.133 1.00 0.00 C ATOM 66 OD1 ASP A 9 3.486 13.474 -9.297 1.00 0.00 O ATOM 67 OD2 ASP A 9 2.490 13.082 -11.320 1.00 0.00 O ATOM 0 H ASP A 9 5.026 12.192 -11.088 1.00 0.00 H new ATOM 0 HA ASP A 9 4.799 10.284 -9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.396 10.737 -10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.648 10.946 -8.969 1.00 0.00 H new ATOM 68 N ASP A 10 4.693 9.067 -12.171 1.00 0.00 N ATOM 69 CA ASP A 10 4.751 7.809 -12.911 1.00 0.00 C ATOM 70 C ASP A 10 5.725 6.851 -12.266 1.00 0.00 C ATOM 71 O ASP A 10 5.381 5.729 -11.868 1.00 0.00 O ATOM 72 CB ASP A 10 5.094 8.074 -14.400 1.00 0.00 C ATOM 73 CG ASP A 10 5.799 6.942 -15.162 1.00 0.00 C ATOM 74 OD1 ASP A 10 5.287 5.708 -14.872 1.00 0.00 O ATOM 75 OD2 ASP A 10 6.705 7.138 -15.958 1.00 0.00 O ATOM 0 H ASP A 10 4.934 9.891 -12.722 1.00 0.00 H new ATOM 0 HA ASP A 10 3.769 7.336 -12.879 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.168 8.311 -14.924 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.725 8.961 -14.450 1.00 0.00 H new ATOM 76 N GLN A 11 7.111 7.344 -12.094 1.00 0.00 N ATOM 77 CA GLN A 11 8.195 6.475 -11.647 1.00 0.00 C ATOM 78 C GLN A 11 7.964 5.993 -10.233 1.00 0.00 C ATOM 79 O GLN A 11 8.361 4.888 -9.839 1.00 0.00 O ATOM 80 CB GLN A 11 9.526 7.251 -11.754 1.00 0.00 C ATOM 81 CG GLN A 11 10.642 6.855 -10.731 1.00 0.00 C ATOM 82 CD GLN A 11 11.941 6.227 -11.248 1.00 0.00 C ATOM 83 OE1 GLN A 11 12.227 5.068 -10.993 1.00 0.00 O ATOM 84 NE2 GLN A 11 12.753 6.928 -11.997 1.00 0.00 N ATOM 0 H GLN A 11 7.395 8.307 -12.273 1.00 0.00 H new ATOM 0 HA GLN A 11 8.233 5.590 -12.283 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.921 7.116 -12.761 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.313 8.313 -11.635 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.910 7.753 -10.174 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.201 6.158 -10.018 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.531 7.898 -12.221 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.608 6.504 -12.357 1.00 0.00 H new ATOM 85 N ARG A 12 7.273 6.937 -9.329 1.00 0.00 N ATOM 86 CA ARG A 12 6.811 6.588 -7.992 1.00 0.00 C ATOM 87 C ARG A 12 6.062 5.276 -7.968 1.00 0.00 C ATOM 88 O ARG A 12 6.468 4.226 -7.423 1.00 0.00 O ATOM 89 CB ARG A 12 5.860 7.737 -7.512 1.00 0.00 C ATOM 90 CG ARG A 12 6.528 8.839 -6.657 1.00 0.00 C ATOM 91 CD ARG A 12 7.841 9.356 -7.261 1.00 0.00 C ATOM 92 NE ARG A 12 8.927 9.133 -6.276 1.00 0.00 N ATOM 93 CZ ARG A 12 9.902 8.240 -6.364 1.00 0.00 C ATOM 94 NH1 ARG A 12 10.048 7.405 -7.349 1.00 0.00 N ATOM 95 NH2 ARG A 12 10.762 8.200 -5.405 1.00 0.00 N ATOM 0 H ARG A 12 7.073 7.904 -9.587 1.00 0.00 H new ATOM 0 HA ARG A 12 7.675 6.473 -7.337 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.411 8.204 -8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.048 7.296 -6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.835 9.672 -6.543 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.723 8.448 -5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.061 8.835 -8.193 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.757 10.416 -7.500 1.00 0.00 H new ATOM 0 HE ARG A 12 8.923 9.727 -5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.385 7.410 -8.124 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.826 6.745 -7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.677 8.841 -4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.528 7.527 -5.435 1.00 0.00 H new ATOM 96 N TRP A 13 4.722 5.321 -8.624 1.00 0.00 N ATOM 97 CA TRP A 13 3.807 4.191 -8.512 1.00 0.00 C ATOM 98 C TRP A 13 4.308 3.040 -9.354 1.00 0.00 C ATOM 99 O TRP A 13 3.883 1.888 -9.198 1.00 0.00 O ATOM 100 CB TRP A 13 2.372 4.619 -8.935 1.00 0.00 C ATOM 101 CG TRP A 13 1.506 3.364 -9.170 1.00 0.00 C ATOM 102 CD1 TRP A 13 1.212 2.792 -10.422 1.00 0.00 C ATOM 103 CD2 TRP A 13 0.977 2.523 -8.218 1.00 0.00 C ATOM 104 NE1 TRP A 13 0.490 1.590 -10.274 1.00 0.00 N ATOM 105 CE2 TRP A 13 0.362 1.442 -8.899 1.00 0.00 C ATOM 106 CE3 TRP A 13 0.998 2.574 -6.799 1.00 0.00 C ATOM 107 CZ2 TRP A 13 -0.245 0.406 -8.156 1.00 0.00 C ATOM 108 CZ3 TRP A 13 0.377 1.547 -6.091 1.00 0.00 C ATOM 109 CH2 TRP A 13 -0.239 0.478 -6.759 1.00 0.00 C ATOM 0 H TRP A 13 4.371 6.108 -9.170 1.00 0.00 H new ATOM 0 HA TRP A 13 3.765 3.860 -7.474 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.924 5.242 -8.161 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.414 5.220 -9.844 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.501 3.218 -11.371 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.142 0.972 -11.007 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.483 3.388 -6.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.707 -0.430 -8.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.370 1.574 -5.011 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.717 -0.302 -6.185 1.00 0.00 H new ATOM 110 N GLN A 14 5.304 3.377 -10.399 1.00 0.00 N ATOM 111 CA GLN A 14 6.019 2.326 -11.128 1.00 0.00 C ATOM 112 C GLN A 14 6.874 1.548 -10.144 1.00 0.00 C ATOM 113 O GLN A 14 7.035 0.325 -10.232 1.00 0.00 O ATOM 114 CB GLN A 14 6.871 2.935 -12.255 1.00 0.00 C ATOM 115 CG GLN A 14 7.219 1.986 -13.454 1.00 0.00 C ATOM 116 CD GLN A 14 7.611 0.530 -13.178 1.00 0.00 C ATOM 117 OE1 GLN A 14 6.766 -0.317 -12.937 1.00 0.00 O ATOM 118 NE2 GLN A 14 8.870 0.174 -13.211 1.00 0.00 N ATOM 0 H GLN A 14 5.551 4.328 -10.672 1.00 0.00 H new ATOM 0 HA GLN A 14 5.307 1.646 -11.596 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.346 3.805 -12.649 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.804 3.295 -11.822 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.356 1.971 -14.119 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.039 2.445 -14.006 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.591 0.867 -13.411 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.130 -0.797 -13.037 1.00 0.00 H new ATOM 119 N SER A 15 7.536 2.364 -9.092 1.00 0.00 N ATOM 120 CA SER A 15 8.207 1.722 -7.963 1.00 0.00 C ATOM 121 C SER A 15 7.315 0.608 -7.439 1.00 0.00 C ATOM 122 O SER A 15 7.756 -0.533 -7.258 1.00 0.00 O ATOM 123 CB SER A 15 8.611 2.702 -6.838 1.00 0.00 C ATOM 124 OG SER A 15 9.200 3.911 -7.333 1.00 0.00 O ATOM 0 H SER A 15 7.566 3.384 -9.086 1.00 0.00 H new ATOM 0 HA SER A 15 9.150 1.313 -8.324 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.730 2.950 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.316 2.208 -6.169 1.00 0.00 H new ATOM 0 HG SER A 15 8.501 4.484 -7.712 1.00 0.00 H new ATOM 125 N VAL A 16 5.885 0.975 -7.219 1.00 0.00 N ATOM 126 CA VAL A 16 4.945 -0.053 -6.755 1.00 0.00 C ATOM 127 C VAL A 16 4.774 -1.186 -7.735 1.00 0.00 C ATOM 128 O VAL A 16 5.031 -2.385 -7.418 1.00 0.00 O ATOM 129 CB VAL A 16 3.590 0.565 -6.249 1.00 0.00 C ATOM 130 CG1 VAL A 16 2.877 -0.216 -5.097 1.00 0.00 C ATOM 131 CG2 VAL A 16 3.718 2.015 -5.716 1.00 0.00 C ATOM 0 H VAL A 16 5.486 1.902 -7.365 1.00 0.00 H new ATOM 0 HA VAL A 16 5.400 -0.517 -5.880 1.00 0.00 H new ATOM 0 HB VAL A 16 3.001 0.513 -7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.954 0.297 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.645 -1.227 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.534 -0.263 -4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.741 2.369 -5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.413 2.034 -4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.090 2.663 -6.510 1.00 0.00 H new ATOM 132 N LEU A 17 4.251 -0.893 -9.084 1.00 0.00 N ATOM 133 CA LEU A 17 3.898 -1.954 -10.049 1.00 0.00 C ATOM 134 C LEU A 17 4.998 -2.983 -10.114 1.00 0.00 C ATOM 135 O LEU A 17 4.800 -4.203 -10.060 1.00 0.00 O ATOM 136 CB LEU A 17 3.644 -1.350 -11.460 1.00 0.00 C ATOM 137 CG LEU A 17 2.315 -0.577 -11.685 1.00 0.00 C ATOM 138 CD1 LEU A 17 2.042 -0.421 -13.186 1.00 0.00 C ATOM 139 CD2 LEU A 17 1.114 -1.258 -11.010 1.00 0.00 C ATOM 0 H LEU A 17 4.100 0.053 -9.435 1.00 0.00 H new ATOM 0 HA LEU A 17 2.981 -2.437 -9.711 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.468 -0.674 -11.689 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.687 -2.162 -12.185 1.00 0.00 H new ATOM 0 HG LEU A 17 2.437 0.403 -11.224 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.108 0.122 -13.331 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.859 0.132 -13.649 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.964 -1.406 -13.646 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.212 -0.676 -11.199 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.990 -2.262 -11.416 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.287 -1.320 -9.936 1.00 0.00 H new ATOM 140 N ALA A 18 6.366 -2.425 -10.288 1.00 0.00 N ATOM 141 CA ALA A 18 7.536 -3.245 -10.564 1.00 0.00 C ATOM 142 C ALA A 18 7.787 -4.318 -9.534 1.00 0.00 C ATOM 143 O ALA A 18 7.424 -5.491 -9.712 1.00 0.00 O ATOM 144 CB ALA A 18 8.745 -2.296 -10.727 1.00 0.00 C ATOM 0 H ALA A 18 6.572 -1.428 -10.225 1.00 0.00 H new ATOM 0 HA ALA A 18 7.363 -3.804 -11.484 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.641 -2.881 -10.935 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.560 -1.609 -11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.888 -1.728 -9.808 1.00 0.00 H new ATOM 145 N ARG A 19 8.507 -3.905 -8.310 1.00 0.00 N ATOM 146 CA ARG A 19 8.997 -4.874 -7.335 1.00 0.00 C ATOM 147 C ARG A 19 9.665 -4.170 -6.176 1.00 0.00 C ATOM 148 O ARG A 19 10.606 -4.680 -5.553 1.00 0.00 O ATOM 149 CB ARG A 19 9.982 -5.842 -8.047 1.00 0.00 C ATOM 150 CG ARG A 19 10.295 -7.155 -7.282 1.00 0.00 C ATOM 151 CD ARG A 19 11.651 -7.756 -7.677 1.00 0.00 C ATOM 152 NE ARG A 19 12.721 -6.994 -6.984 1.00 0.00 N ATOM 153 CZ ARG A 19 13.949 -6.798 -7.444 1.00 0.00 C ATOM 154 NH1 ARG A 19 14.386 -7.248 -8.583 1.00 0.00 N ATOM 155 NH2 ARG A 19 14.756 -6.116 -6.711 1.00 0.00 N ATOM 0 H ARG A 19 8.705 -2.934 -8.070 1.00 0.00 H new ATOM 0 HA ARG A 19 8.162 -5.446 -6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.570 -6.099 -9.023 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.918 -5.314 -8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.287 -6.958 -6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.508 -7.883 -7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.695 -8.809 -7.399 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.788 -7.705 -8.757 1.00 0.00 H new ATOM 0 HE ARG A 19 12.492 -6.587 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.769 -7.791 -9.187 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.345 -7.058 -8.872 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.442 -5.749 -5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.710 -5.942 -7.028 1.00 0.00 H new ATOM 156 N ASP A 20 9.151 -2.818 -5.858 1.00 0.00 N ATOM 157 CA ASP A 20 9.809 -1.943 -4.892 1.00 0.00 C ATOM 158 C ASP A 20 9.872 -2.594 -3.532 1.00 0.00 C ATOM 159 O ASP A 20 8.871 -3.075 -2.987 1.00 0.00 O ATOM 160 CB ASP A 20 9.109 -0.561 -4.854 1.00 0.00 C ATOM 161 CG ASP A 20 9.322 0.325 -3.620 1.00 0.00 C ATOM 162 OD1 ASP A 20 10.116 0.065 -2.728 1.00 0.00 O ATOM 163 OD2 ASP A 20 8.541 1.451 -3.644 1.00 0.00 O ATOM 0 H ASP A 20 8.317 -2.415 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 20 10.839 -1.777 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.435 0.002 -5.729 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.037 -0.727 -4.964 1.00 0.00 H new ATOM 164 N PRO A 21 11.208 -2.634 -2.901 1.00 0.00 N ATOM 165 CA PRO A 21 11.536 -3.221 -1.525 1.00 0.00 C ATOM 166 C PRO A 21 10.749 -2.603 -0.387 1.00 0.00 C ATOM 167 O PRO A 21 9.666 -3.088 -0.019 1.00 0.00 O ATOM 168 CB PRO A 21 13.020 -3.005 -1.281 1.00 0.00 C ATOM 169 CG PRO A 21 13.358 -1.845 -2.230 1.00 0.00 C ATOM 170 CD PRO A 21 12.480 -2.118 -3.459 1.00 0.00 C ATOM 0 HA PRO A 21 11.261 -4.276 -1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.226 -2.750 -0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.601 -3.898 -1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.129 -0.879 -1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.417 -1.833 -2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.319 -1.210 -4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.945 -2.845 -4.125 1.00 0.00 H new ATOM 171 N ASN A 22 11.316 -1.398 0.251 1.00 0.00 N ATOM 172 CA ASN A 22 10.657 -0.742 1.376 1.00 0.00 C ATOM 173 C ASN A 22 9.715 0.320 0.846 1.00 0.00 C ATOM 174 O ASN A 22 8.494 0.160 0.737 1.00 0.00 O ATOM 175 CB ASN A 22 11.730 -0.075 2.285 1.00 0.00 C ATOM 176 CG ASN A 22 11.248 1.038 3.222 1.00 0.00 C ATOM 177 OD1 ASN A 22 10.271 0.907 3.944 1.00 0.00 O ATOM 178 ND2 ASN A 22 11.894 2.172 3.234 1.00 0.00 N ATOM 0 H ASN A 22 12.185 -0.954 -0.044 1.00 0.00 H new ATOM 0 HA ASN A 22 10.097 -1.476 1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.192 -0.853 2.892 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.511 0.335 1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.581 2.931 3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.712 2.299 2.638 1.00 0.00 H new ATOM 179 N ALA A 23 10.383 1.575 0.419 1.00 0.00 N ATOM 180 CA ALA A 23 9.704 2.648 -0.295 1.00 0.00 C ATOM 181 C ALA A 23 10.721 3.531 -0.995 1.00 0.00 C ATOM 182 O ALA A 23 11.272 4.470 -0.406 1.00 0.00 O ATOM 183 CB ALA A 23 8.840 3.409 0.723 1.00 0.00 C ATOM 0 H ALA A 23 11.368 1.768 0.600 1.00 0.00 H new ATOM 0 HA ALA A 23 9.053 2.262 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.316 4.222 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.113 2.727 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.477 3.818 1.507 1.00 0.00 H new ATOM 184 N ASP A 24 11.030 3.168 -2.393 1.00 0.00 N ATOM 185 CA ASP A 24 12.109 3.801 -3.147 1.00 0.00 C ATOM 186 C ASP A 24 12.224 5.287 -2.851 1.00 0.00 C ATOM 187 O ASP A 24 11.279 6.082 -2.794 1.00 0.00 O ATOM 188 CB ASP A 24 11.926 3.538 -4.665 1.00 0.00 C ATOM 189 CG ASP A 24 12.400 2.175 -5.190 1.00 0.00 C ATOM 190 OD1 ASP A 24 12.352 1.151 -4.523 1.00 0.00 O ATOM 191 OD2 ASP A 24 12.854 2.231 -6.478 1.00 0.00 O ATOM 0 H ASP A 24 10.517 2.460 -2.918 1.00 0.00 H new ATOM 0 HA ASP A 24 13.048 3.350 -2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.868 3.646 -4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.457 4.317 -5.212 1.00 0.00 H new ATOM 192 N GLY A 25 13.609 5.747 -2.544 1.00 0.00 N ATOM 193 CA GLY A 25 13.969 7.139 -2.248 1.00 0.00 C ATOM 194 C GLY A 25 13.741 7.355 -0.754 1.00 0.00 C ATOM 195 O GLY A 25 14.597 7.078 0.094 1.00 0.00 O ATOM 0 H GLY A 25 14.407 5.112 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.009 7.332 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.360 7.827 -2.834 1.00 0.00 H new ATOM 196 N GLU A 26 12.408 7.879 -0.404 1.00 0.00 N ATOM 197 CA GLU A 26 11.916 7.923 0.969 1.00 0.00 C ATOM 198 C GLU A 26 10.411 8.046 0.971 1.00 0.00 C ATOM 199 O GLU A 26 9.799 8.497 1.948 1.00 0.00 O ATOM 200 CB GLU A 26 12.620 9.108 1.692 1.00 0.00 C ATOM 201 CG GLU A 26 12.119 9.520 3.114 1.00 0.00 C ATOM 202 CD GLU A 26 13.011 10.439 3.957 1.00 0.00 C ATOM 203 OE1 GLU A 26 14.206 9.879 4.296 1.00 0.00 O ATOM 204 OE2 GLU A 26 12.677 11.568 4.290 1.00 0.00 O ATOM 0 H GLU A 26 11.748 8.242 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 26 12.150 7.004 1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.680 8.865 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.542 9.983 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.152 10.009 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.948 8.607 3.684 1.00 0.00 H new ATOM 205 N PHE A 27 9.693 7.550 -0.254 1.00 0.00 N ATOM 206 CA PHE A 27 8.272 7.836 -0.420 1.00 0.00 C ATOM 207 C PHE A 27 7.331 6.942 0.344 1.00 0.00 C ATOM 208 O PHE A 27 7.676 5.872 0.861 1.00 0.00 O ATOM 209 CB PHE A 27 7.825 7.947 -1.905 1.00 0.00 C ATOM 210 CG PHE A 27 7.593 6.680 -2.742 1.00 0.00 C ATOM 211 CD1 PHE A 27 8.686 5.936 -3.191 1.00 0.00 C ATOM 212 CD2 PHE A 27 6.299 6.271 -3.094 1.00 0.00 C ATOM 213 CE1 PHE A 27 8.497 4.800 -3.972 1.00 0.00 C ATOM 214 CE2 PHE A 27 6.109 5.135 -3.875 1.00 0.00 C ATOM 215 CZ PHE A 27 7.206 4.401 -4.318 1.00 0.00 C ATOM 0 H PHE A 27 10.122 7.013 -1.007 1.00 0.00 H new ATOM 0 HA PHE A 27 8.187 8.821 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.897 8.518 -1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.575 8.544 -2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.687 6.245 -2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.445 6.840 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.349 4.228 -4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.109 4.822 -4.138 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.057 3.523 -4.929 1.00 0.00 H new ATOM 216 N VAL A 28 5.939 7.440 0.494 1.00 0.00 N ATOM 217 CA VAL A 28 4.853 6.720 1.160 1.00 0.00 C ATOM 218 C VAL A 28 3.575 6.873 0.349 1.00 0.00 C ATOM 219 O VAL A 28 3.433 7.872 -0.402 1.00 0.00 O ATOM 220 CB VAL A 28 4.643 7.302 2.610 1.00 0.00 C ATOM 221 CG1 VAL A 28 5.928 7.606 3.432 1.00 0.00 C ATOM 222 CG2 VAL A 28 3.826 8.625 2.633 1.00 0.00 C ATOM 0 H VAL A 28 5.645 8.346 0.129 1.00 0.00 H new ATOM 0 HA VAL A 28 5.107 5.663 1.235 1.00 0.00 H new ATOM 0 HB VAL A 28 4.110 6.471 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.650 8.001 4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.503 6.689 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.533 8.342 2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.720 8.969 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.346 9.384 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.839 8.451 2.205 1.00 0.00 H new ATOM 223 N PHE A 29 2.489 5.880 0.475 1.00 0.00 N ATOM 224 CA PHE A 29 1.278 5.935 -0.355 1.00 0.00 C ATOM 225 C PHE A 29 0.055 5.721 0.505 1.00 0.00 C ATOM 226 O PHE A 29 0.075 4.944 1.476 1.00 0.00 O ATOM 227 CB PHE A 29 1.324 4.847 -1.466 1.00 0.00 C ATOM 228 CG PHE A 29 1.234 3.385 -1.001 1.00 0.00 C ATOM 229 CD1 PHE A 29 1.690 3.015 0.268 1.00 0.00 C ATOM 230 CD2 PHE A 29 0.700 2.411 -1.852 1.00 0.00 C ATOM 231 CE1 PHE A 29 1.606 1.689 0.680 1.00 0.00 C ATOM 232 CE2 PHE A 29 0.608 1.088 -1.435 1.00 0.00 C ATOM 233 CZ PHE A 29 1.061 0.726 -0.168 1.00 0.00 C ATOM 0 H PHE A 29 2.507 5.103 1.136 1.00 0.00 H new ATOM 0 HA PHE A 29 1.229 6.917 -0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.505 5.035 -2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.251 4.970 -2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.108 3.760 0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.358 2.688 -2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.964 1.405 1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.186 0.342 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.990 -0.301 0.157 1.00 0.00 H new ATOM 234 N ALA A 30 -1.152 6.505 0.170 1.00 0.00 N ATOM 235 CA ALA A 30 -2.352 6.465 1.002 1.00 0.00 C ATOM 236 C ALA A 30 -3.539 5.969 0.210 1.00 0.00 C ATOM 237 O ALA A 30 -4.157 6.714 -0.568 1.00 0.00 O ATOM 238 CB ALA A 30 -2.567 7.873 1.580 1.00 0.00 C ATOM 0 H ALA A 30 -1.227 7.113 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.233 5.760 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.458 7.876 2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.701 8.157 2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.695 8.585 0.765 1.00 0.00 H new ATOM 239 N VAL A 31 -3.926 4.556 0.405 1.00 0.00 N ATOM 240 CA VAL A 31 -5.108 3.989 -0.246 1.00 0.00 C ATOM 241 C VAL A 31 -6.314 4.116 0.654 1.00 0.00 C ATOM 242 O VAL A 31 -6.486 3.368 1.626 1.00 0.00 O ATOM 243 CB VAL A 31 -4.837 2.495 -0.672 1.00 0.00 C ATOM 244 CG1 VAL A 31 -3.791 1.704 0.164 1.00 0.00 C ATOM 245 CG2 VAL A 31 -6.097 1.594 -0.683 1.00 0.00 C ATOM 0 H VAL A 31 -3.410 3.899 0.990 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.321 4.551 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.446 2.674 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.699 0.693 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.825 2.206 0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.115 1.659 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.820 0.585 -0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.533 1.565 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.826 1.997 -1.385 1.00 0.00 H new ATOM 246 N ARG A 32 -7.284 5.175 0.298 1.00 0.00 N ATOM 247 CA ARG A 32 -8.391 5.544 1.176 1.00 0.00 C ATOM 248 C ARG A 32 -9.600 4.654 1.027 1.00 0.00 C ATOM 249 O ARG A 32 -10.744 5.077 1.292 1.00 0.00 O ATOM 250 CB ARG A 32 -8.756 7.034 0.902 1.00 0.00 C ATOM 251 CG ARG A 32 -9.515 7.750 2.050 1.00 0.00 C ATOM 252 CD ARG A 32 -10.126 9.085 1.604 1.00 0.00 C ATOM 253 NE ARG A 32 -11.226 9.434 2.538 1.00 0.00 N ATOM 254 CZ ARG A 32 -11.803 10.624 2.637 1.00 0.00 C ATOM 255 NH1 ARG A 32 -11.477 11.660 1.922 1.00 0.00 N ATOM 256 NH2 ARG A 32 -12.748 10.755 3.499 1.00 0.00 N ATOM 0 H ARG A 32 -7.245 5.709 -0.570 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.064 5.410 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.838 7.584 0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.365 7.082 -0.000 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.305 7.098 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.831 7.926 2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.367 9.867 1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.505 9.007 0.585 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.566 8.697 3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.732 11.588 1.229 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.966 12.545 2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.027 9.960 4.074 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.218 11.654 3.607 1.00 0.00 H new ATOM 257 N THR A 33 -9.381 3.258 0.594 1.00 0.00 N ATOM 258 CA THR A 33 -10.478 2.294 0.513 1.00 0.00 C ATOM 259 C THR A 33 -10.548 1.456 1.768 1.00 0.00 C ATOM 260 O THR A 33 -11.627 1.161 2.299 1.00 0.00 O ATOM 261 CB THR A 33 -10.325 1.389 -0.754 1.00 0.00 C ATOM 262 OG1 THR A 33 -11.392 0.451 -0.828 1.00 0.00 O ATOM 263 CG2 THR A 33 -9.047 0.525 -0.829 1.00 0.00 C ATOM 0 H THR A 33 -8.471 2.882 0.329 1.00 0.00 H new ATOM 0 HA THR A 33 -11.413 2.847 0.424 1.00 0.00 H new ATOM 0 HB THR A 33 -10.302 2.119 -1.563 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.283 -0.106 -1.627 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.055 -0.057 -1.751 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.169 1.171 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.013 -0.150 0.026 1.00 0.00 H new ATOM 264 N THR A 34 -9.252 0.998 2.319 1.00 0.00 N ATOM 265 CA THR A 34 -9.148 0.328 3.610 1.00 0.00 C ATOM 266 C THR A 34 -8.659 1.279 4.677 1.00 0.00 C ATOM 267 O THR A 34 -8.597 0.931 5.868 1.00 0.00 O ATOM 268 CB THR A 34 -8.208 -0.921 3.511 1.00 0.00 C ATOM 269 OG1 THR A 34 -8.702 -1.842 2.548 1.00 0.00 O ATOM 270 CG2 THR A 34 -8.044 -1.757 4.799 1.00 0.00 C ATOM 0 H THR A 34 -8.360 1.119 1.839 1.00 0.00 H new ATOM 0 HA THR A 34 -10.144 -0.013 3.893 1.00 0.00 H new ATOM 0 HB THR A 34 -7.246 -0.473 3.260 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.102 -2.615 2.497 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.372 -2.593 4.607 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.628 -1.131 5.589 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.016 -2.138 5.112 1.00 0.00 H new ATOM 271 N GLY A 35 -8.267 2.638 4.247 1.00 0.00 N ATOM 272 CA GLY A 35 -7.922 3.680 5.213 1.00 0.00 C ATOM 273 C GLY A 35 -6.574 3.412 5.836 1.00 0.00 C ATOM 274 O GLY A 35 -6.431 3.319 7.065 1.00 0.00 O ATOM 0 H GLY A 35 -8.212 2.933 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.912 4.651 4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.684 3.727 5.991 1.00 0.00 H new ATOM 275 N ILE A 36 -5.434 3.229 4.907 1.00 0.00 N ATOM 276 CA ILE A 36 -4.068 3.076 5.395 1.00 0.00 C ATOM 277 C ILE A 36 -3.076 3.900 4.609 1.00 0.00 C ATOM 278 O ILE A 36 -3.031 3.882 3.369 1.00 0.00 O ATOM 279 CB ILE A 36 -3.648 1.549 5.463 1.00 0.00 C ATOM 280 CG1 ILE A 36 -3.526 0.834 4.079 1.00 0.00 C ATOM 281 CG2 ILE A 36 -4.601 0.703 6.363 1.00 0.00 C ATOM 282 CD1 ILE A 36 -2.201 0.089 3.820 1.00 0.00 C ATOM 0 H ILE A 36 -5.525 3.199 3.892 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.050 3.468 6.412 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.652 1.595 5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.345 0.121 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.661 1.578 3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.266 -0.334 6.373 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.588 1.098 7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.615 0.753 5.967 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.228 -0.368 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.371 0.794 3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.066 -0.686 4.574 1.00 0.00 H new ATOM 283 N PHE A 37 -2.180 4.767 5.406 1.00 0.00 N ATOM 284 CA PHE A 37 -1.038 5.484 4.825 1.00 0.00 C ATOM 285 C PHE A 37 0.236 4.793 5.267 1.00 0.00 C ATOM 286 O PHE A 37 0.486 4.682 6.495 1.00 0.00 O ATOM 287 CB PHE A 37 -0.972 6.969 5.289 1.00 0.00 C ATOM 288 CG PHE A 37 -0.024 7.319 6.450 1.00 0.00 C ATOM 289 CD1 PHE A 37 1.367 7.338 6.261 1.00 0.00 C ATOM 290 CD2 PHE A 37 -0.545 7.554 7.726 1.00 0.00 C ATOM 291 CE1 PHE A 37 2.216 7.589 7.334 1.00 0.00 C ATOM 292 CE2 PHE A 37 0.307 7.801 8.798 1.00 0.00 C ATOM 293 CZ PHE A 37 1.686 7.819 8.601 1.00 0.00 C ATOM 0 H PHE A 37 -2.297 4.922 6.407 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.154 5.474 3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.686 7.576 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.978 7.275 5.575 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.779 7.157 5.279 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.614 7.544 7.880 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.285 7.605 7.184 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.101 7.979 9.782 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.346 8.012 9.434 1.00 0.00 H new ATOM 294 N CYS A 38 1.130 4.202 4.256 1.00 0.00 N ATOM 295 CA CYS A 38 2.315 3.425 4.645 1.00 0.00 C ATOM 296 C CYS A 38 3.297 3.356 3.505 1.00 0.00 C ATOM 297 O CYS A 38 3.289 4.200 2.590 1.00 0.00 O ATOM 298 CB CYS A 38 1.825 2.044 5.116 1.00 0.00 C ATOM 299 SG CYS A 38 1.323 0.981 3.751 1.00 0.00 S ATOM 0 H CYS A 38 0.992 4.289 3.249 1.00 0.00 H new ATOM 0 HA CYS A 38 2.856 3.899 5.464 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.619 1.554 5.679 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.984 2.174 5.798 1.00 0.00 H new ATOM 300 N ARG A 39 4.288 2.262 3.547 1.00 0.00 N ATOM 301 CA ARG A 39 5.165 1.996 2.399 1.00 0.00 C ATOM 302 C ARG A 39 4.560 0.929 1.524 1.00 0.00 C ATOM 303 O ARG A 39 3.665 0.175 1.946 1.00 0.00 O ATOM 304 CB ARG A 39 6.573 1.611 2.921 1.00 0.00 C ATOM 305 CG ARG A 39 7.094 2.470 4.105 1.00 0.00 C ATOM 306 CD ARG A 39 7.524 3.877 3.671 1.00 0.00 C ATOM 307 NE ARG A 39 7.639 4.728 4.883 1.00 0.00 N ATOM 308 CZ ARG A 39 8.763 5.012 5.527 1.00 0.00 C ATOM 309 NH1 ARG A 39 9.937 4.571 5.185 1.00 0.00 N ATOM 310 NH2 ARG A 39 8.679 5.776 6.559 1.00 0.00 N ATOM 0 H ARG A 39 4.426 1.641 4.344 1.00 0.00 H new ATOM 0 HA ARG A 39 5.269 2.888 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.556 0.566 3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.282 1.688 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.313 2.550 4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.939 1.964 4.572 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.478 3.836 3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.795 4.299 2.979 1.00 0.00 H new ATOM 0 HE ARG A 39 6.777 5.129 5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.037 3.963 4.372 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.759 4.833 5.730 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.772 6.138 6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.519 6.019 7.083 1.00 0.00 H new ATOM 311 N PRO A 40 5.053 0.833 0.136 1.00 0.00 N ATOM 312 CA PRO A 40 4.611 -0.134 -0.965 1.00 0.00 C ATOM 313 C PRO A 40 3.981 -1.455 -0.593 1.00 0.00 C ATOM 314 O PRO A 40 4.103 -1.981 0.520 1.00 0.00 O ATOM 315 CB PRO A 40 5.899 -0.417 -1.752 1.00 0.00 C ATOM 316 CG PRO A 40 6.541 0.977 -1.760 1.00 0.00 C ATOM 317 CD PRO A 40 6.107 1.687 -0.477 1.00 0.00 C ATOM 0 HA PRO A 40 3.791 0.359 -1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.529 -1.159 -1.262 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.697 -0.785 -2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.627 0.899 -1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.223 1.541 -2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.950 1.812 0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.722 2.683 -0.695 1.00 0.00 H new ATOM 318 N SER A 41 3.230 -2.138 -1.676 1.00 0.00 N ATOM 319 CA SER A 41 2.392 -3.320 -1.539 1.00 0.00 C ATOM 320 C SER A 41 2.247 -3.919 -0.166 1.00 0.00 C ATOM 321 O SER A 41 3.195 -4.439 0.438 1.00 0.00 O ATOM 322 CB SER A 41 2.849 -4.410 -2.564 1.00 0.00 C ATOM 323 OG SER A 41 4.016 -5.114 -2.138 1.00 0.00 O ATOM 0 H SER A 41 3.259 -1.799 -2.638 1.00 0.00 H new ATOM 0 HA SER A 41 1.388 -2.952 -1.751 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.037 -5.121 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.046 -3.938 -3.526 1.00 0.00 H new ATOM 0 HG SER A 41 4.075 -5.088 -1.160 1.00 0.00 H new ATOM 324 N CYS A 42 0.876 -3.922 0.417 1.00 0.00 N ATOM 325 CA CYS A 42 0.561 -4.482 1.722 1.00 0.00 C ATOM 326 C CYS A 42 0.127 -5.936 1.648 1.00 0.00 C ATOM 327 O CYS A 42 -0.205 -6.491 0.595 1.00 0.00 O ATOM 328 CB CYS A 42 -0.518 -3.607 2.400 1.00 0.00 C ATOM 329 SG CYS A 42 -0.042 -1.869 2.407 1.00 0.00 S ATOM 0 H CYS A 42 0.067 -3.530 -0.064 1.00 0.00 H new ATOM 0 HA CYS A 42 1.470 -4.475 2.323 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.467 -3.724 1.876 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.675 -3.947 3.424 1.00 0.00 H new ATOM 330 N ARG A 43 0.176 -6.665 2.934 1.00 0.00 N ATOM 331 CA ARG A 43 -0.357 -7.997 3.184 1.00 0.00 C ATOM 332 C ARG A 43 -1.134 -8.577 2.036 1.00 0.00 C ATOM 333 O ARG A 43 -0.822 -9.662 1.513 1.00 0.00 O ATOM 334 CB ARG A 43 -1.273 -7.897 4.456 1.00 0.00 C ATOM 335 CG ARG A 43 -2.231 -6.681 4.441 1.00 0.00 C ATOM 336 CD ARG A 43 -3.615 -6.993 5.023 1.00 0.00 C ATOM 337 NE ARG A 43 -4.597 -6.053 4.423 1.00 0.00 N ATOM 338 CZ ARG A 43 -5.866 -5.927 4.788 1.00 0.00 C ATOM 339 NH1 ARG A 43 -6.431 -6.623 5.730 1.00 0.00 N ATOM 340 NH2 ARG A 43 -6.580 -5.058 4.165 1.00 0.00 N ATOM 0 H ARG A 43 0.607 -6.258 3.764 1.00 0.00 H new ATOM 0 HA ARG A 43 0.484 -8.675 3.328 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.861 -8.811 4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.642 -7.840 5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.781 -5.866 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.346 -6.330 3.415 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.895 -8.024 4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.603 -6.888 6.108 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.267 -5.454 3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.891 -7.321 6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.414 -6.471 5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.166 -4.497 3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.561 -4.930 4.415 1.00 0.00 H new ATOM 341 N ALA A 44 -2.315 -7.816 1.579 1.00 0.00 N ATOM 342 CA ALA A 44 -3.288 -8.335 0.633 1.00 0.00 C ATOM 343 C ALA A 44 -2.805 -8.275 -0.801 1.00 0.00 C ATOM 344 O ALA A 44 -1.658 -7.956 -1.132 1.00 0.00 O ATOM 345 CB ALA A 44 -4.594 -7.524 0.831 1.00 0.00 C ATOM 0 H ALA A 44 -2.525 -6.871 1.900 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.456 -9.394 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.354 -7.883 0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.948 -7.649 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.399 -6.468 0.641 1.00 0.00 H new ATOM 346 N ARG A 45 -3.826 -8.675 -1.809 1.00 0.00 N ATOM 347 CA ARG A 45 -3.626 -8.530 -3.247 1.00 0.00 C ATOM 348 C ARG A 45 -2.971 -7.207 -3.570 1.00 0.00 C ATOM 349 O ARG A 45 -2.389 -7.014 -4.646 1.00 0.00 O ATOM 350 CB ARG A 45 -5.000 -8.691 -3.957 1.00 0.00 C ATOM 351 CG ARG A 45 -5.117 -8.087 -5.379 1.00 0.00 C ATOM 352 CD ARG A 45 -5.942 -8.974 -6.326 1.00 0.00 C ATOM 353 NE ARG A 45 -5.100 -10.130 -6.725 1.00 0.00 N ATOM 354 CZ ARG A 45 -5.115 -10.725 -7.910 1.00 0.00 C ATOM 355 NH1 ARG A 45 -5.886 -10.375 -8.897 1.00 0.00 N ATOM 356 NH2 ARG A 45 -4.311 -11.712 -8.089 1.00 0.00 N ATOM 0 H ARG A 45 -4.730 -9.076 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.950 -9.304 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.230 -9.755 -4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.765 -8.235 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.578 -7.101 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.119 -7.946 -5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.850 -9.318 -5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.252 -8.408 -7.204 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.454 -10.498 -6.027 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.534 -9.595 -8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.843 -10.880 -9.782 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.693 -12.010 -7.334 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.291 -12.197 -8.986 1.00 0.00 H new ATOM 357 N HIS A 46 -3.098 -6.147 -2.548 1.00 0.00 N ATOM 358 CA HIS A 46 -2.389 -4.873 -2.609 1.00 0.00 C ATOM 359 C HIS A 46 -3.194 -3.848 -3.371 1.00 0.00 C ATOM 360 O HIS A 46 -3.290 -3.864 -4.605 1.00 0.00 O ATOM 361 CB HIS A 46 -1.022 -5.125 -3.260 1.00 0.00 C ATOM 362 CG HIS A 46 -0.559 -3.983 -4.117 1.00 0.00 C ATOM 363 ND1 HIS A 46 -0.376 -4.023 -5.498 1.00 0.00 N ATOM 364 CD2 HIS A 46 -0.257 -2.731 -3.601 1.00 0.00 C ATOM 365 CE1 HIS A 46 0.036 -2.760 -5.712 1.00 0.00 C ATOM 366 NE2 HIS A 46 0.133 -1.926 -4.641 1.00 0.00 N ATOM 0 H HIS A 46 -3.695 -6.239 -1.726 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.244 -4.468 -1.607 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.283 -5.309 -2.480 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.076 -6.029 -3.867 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -0.515 -4.789 -6.157 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.318 -2.441 -2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.283 -2.418 -6.706 1.00 0.00 H new ATOM 367 N ALA A 47 -3.904 -2.840 -2.547 1.00 0.00 N ATOM 368 CA ALA A 47 -4.852 -1.892 -3.123 1.00 0.00 C ATOM 369 C ALA A 47 -4.289 -1.259 -4.375 1.00 0.00 C ATOM 370 O ALA A 47 -3.072 -1.101 -4.539 1.00 0.00 O ATOM 371 CB ALA A 47 -5.203 -0.861 -2.038 1.00 0.00 C ATOM 0 H ALA A 47 -3.779 -2.744 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.765 -2.398 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.912 -0.137 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.649 -1.370 -1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.297 -0.344 -1.720 1.00 0.00 H new ATOM 372 N LEU A 48 -5.278 -0.874 -5.407 1.00 0.00 N ATOM 373 CA LEU A 48 -4.881 -0.295 -6.687 1.00 0.00 C ATOM 374 C LEU A 48 -4.430 1.136 -6.515 1.00 0.00 C ATOM 375 O LEU A 48 -4.550 1.733 -5.434 1.00 0.00 O ATOM 376 CB LEU A 48 -6.041 -0.410 -7.716 1.00 0.00 C ATOM 377 CG LEU A 48 -7.264 -1.295 -7.346 1.00 0.00 C ATOM 378 CD1 LEU A 48 -8.230 -0.521 -6.439 1.00 0.00 C ATOM 379 CD2 LEU A 48 -8.019 -1.809 -8.584 1.00 0.00 C ATOM 0 H LEU A 48 -6.286 -0.986 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.032 -0.858 -7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.407 0.596 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.623 -0.791 -8.648 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.873 -2.163 -6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.081 -1.155 -6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.715 -0.228 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.582 0.370 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.863 -2.421 -8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.383 -0.962 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.346 -2.408 -9.198 1.00 0.00 H new ATOM 380 N ARG A 49 -3.873 1.801 -7.713 1.00 0.00 N ATOM 381 CA ARG A 49 -3.520 3.217 -7.731 1.00 0.00 C ATOM 382 C ARG A 49 -4.722 4.088 -8.004 1.00 0.00 C ATOM 383 O ARG A 49 -4.603 5.307 -8.214 1.00 0.00 O ATOM 384 CB ARG A 49 -2.420 3.438 -8.813 1.00 0.00 C ATOM 385 CG ARG A 49 -2.844 3.051 -10.253 1.00 0.00 C ATOM 386 CD ARG A 49 -2.541 4.152 -11.278 1.00 0.00 C ATOM 387 NE ARG A 49 -3.080 3.724 -12.594 1.00 0.00 N ATOM 388 CZ ARG A 49 -3.478 4.536 -13.564 1.00 0.00 C ATOM 389 NH1 ARG A 49 -3.453 5.834 -13.491 1.00 0.00 N ATOM 390 NH2 ARG A 49 -3.917 3.998 -14.646 1.00 0.00 N ATOM 0 H ARG A 49 -3.701 1.319 -8.595 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.142 3.503 -6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.126 4.488 -8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.538 2.858 -8.540 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.328 2.137 -10.545 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.912 2.832 -10.266 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.995 5.094 -10.970 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.467 4.323 -11.345 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.150 2.721 -12.766 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.110 6.291 -12.646 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.776 6.395 -14.279 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.949 2.982 -14.734 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.233 4.587 -15.417 1.00 0.00 H new ATOM 391 N GLU A 50 -6.048 3.432 -7.994 1.00 0.00 N ATOM 392 CA GLU A 50 -7.262 4.101 -8.438 1.00 0.00 C ATOM 393 C GLU A 50 -7.950 4.889 -7.350 1.00 0.00 C ATOM 394 O GLU A 50 -8.869 5.692 -7.648 1.00 0.00 O ATOM 395 CB GLU A 50 -8.225 3.031 -9.034 1.00 0.00 C ATOM 396 CG GLU A 50 -8.519 1.765 -8.165 1.00 0.00 C ATOM 397 CD GLU A 50 -9.965 1.495 -7.741 1.00 0.00 C ATOM 398 OE1 GLU A 50 -10.809 1.040 -8.502 1.00 0.00 O ATOM 399 OE2 GLU A 50 -10.222 1.807 -6.440 1.00 0.00 O ATOM 0 H GLU A 50 -6.197 2.474 -7.677 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.980 4.834 -9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.175 3.518 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.811 2.698 -9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.166 0.894 -8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.915 1.835 -7.260 1.00 0.00 H new ATOM 400 N ASN A 51 -7.511 4.729 -5.956 1.00 0.00 N ATOM 401 CA ASN A 51 -8.030 5.598 -4.873 1.00 0.00 C ATOM 402 C ASN A 51 -6.867 5.950 -3.974 1.00 0.00 C ATOM 403 O ASN A 51 -6.969 6.339 -2.804 1.00 0.00 O ATOM 404 CB ASN A 51 -9.104 4.798 -4.093 1.00 0.00 C ATOM 405 CG ASN A 51 -8.749 4.271 -2.698 1.00 0.00 C ATOM 406 OD1 ASN A 51 -9.088 4.851 -1.678 1.00 0.00 O ATOM 407 ND2 ASN A 51 -8.050 3.173 -2.601 1.00 0.00 N ATOM 0 H ASN A 51 -6.837 4.028 -5.648 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.479 6.513 -5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.984 5.433 -3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.394 3.945 -4.707 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.794 2.811 -1.682 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.759 2.677 -3.444 1.00 0.00 H new ATOM 408 N VAL A 52 -5.526 5.803 -4.620 1.00 0.00 N ATOM 409 CA VAL A 52 -4.282 5.782 -3.856 1.00 0.00 C ATOM 410 C VAL A 52 -3.626 7.136 -3.885 1.00 0.00 C ATOM 411 O VAL A 52 -3.714 7.856 -4.911 1.00 0.00 O ATOM 412 CB VAL A 52 -3.325 4.652 -4.426 1.00 0.00 C ATOM 413 CG1 VAL A 52 -2.058 5.126 -5.186 1.00 0.00 C ATOM 414 CG2 VAL A 52 -2.814 3.659 -3.349 1.00 0.00 C ATOM 0 H VAL A 52 -5.395 5.709 -5.627 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.498 5.548 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.006 4.178 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.490 4.259 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.353 5.724 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.439 5.728 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.166 2.917 -3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.253 4.203 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.663 3.158 -2.884 1.00 0.00 H new ATOM 415 N SER A 53 -2.915 7.621 -2.685 1.00 0.00 N ATOM 416 CA SER A 53 -2.185 8.888 -2.677 1.00 0.00 C ATOM 417 C SER A 53 -0.698 8.650 -2.571 1.00 0.00 C ATOM 418 O SER A 53 -0.223 7.508 -2.494 1.00 0.00 O ATOM 419 CB SER A 53 -2.707 9.834 -1.569 1.00 0.00 C ATOM 420 OG SER A 53 -2.408 11.211 -1.829 1.00 0.00 O ATOM 0 H SER A 53 -2.886 7.115 -1.800 1.00 0.00 H new ATOM 0 HA SER A 53 -2.366 9.390 -3.627 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.786 9.713 -1.473 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.267 9.545 -0.614 1.00 0.00 H new ATOM 0 HG SER A 53 -2.760 11.765 -1.102 1.00 0.00 H new ATOM 421 N PHE A 54 0.167 9.853 -2.609 1.00 0.00 N ATOM 422 CA PHE A 54 1.621 9.747 -2.595 1.00 0.00 C ATOM 423 C PHE A 54 2.286 10.912 -1.901 1.00 0.00 C ATOM 424 O PHE A 54 1.869 12.074 -1.998 1.00 0.00 O ATOM 425 CB PHE A 54 2.173 9.644 -4.048 1.00 0.00 C ATOM 426 CG PHE A 54 2.386 8.221 -4.587 1.00 0.00 C ATOM 427 CD1 PHE A 54 1.289 7.475 -5.032 1.00 0.00 C ATOM 428 CD2 PHE A 54 3.663 7.656 -4.621 1.00 0.00 C ATOM 429 CE1 PHE A 54 1.468 6.182 -5.512 1.00 0.00 C ATOM 430 CE2 PHE A 54 3.840 6.361 -5.101 1.00 0.00 C ATOM 431 CZ PHE A 54 2.744 5.624 -5.547 1.00 0.00 C ATOM 0 H PHE A 54 -0.187 10.809 -2.646 1.00 0.00 H new ATOM 0 HA PHE A 54 1.857 8.843 -2.034 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.486 10.165 -4.715 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.124 10.175 -4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.299 7.905 -5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.514 8.224 -4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.619 5.611 -5.857 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.828 5.927 -5.128 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.884 4.620 -5.920 1.00 0.00 H new ATOM 432 N TYR A 55 3.460 10.571 -1.069 1.00 0.00 N ATOM 433 CA TYR A 55 4.160 11.544 -0.228 1.00 0.00 C ATOM 434 C TYR A 55 5.638 11.219 -0.195 1.00 0.00 C ATOM 435 O TYR A 55 6.044 10.070 -0.472 1.00 0.00 O ATOM 436 CB TYR A 55 3.609 11.464 1.225 1.00 0.00 C ATOM 437 CG TYR A 55 2.101 11.159 1.350 1.00 0.00 C ATOM 438 CD1 TYR A 55 1.211 12.222 1.073 1.00 0.00 C ATOM 439 CD2 TYR A 55 1.581 9.923 1.725 1.00 0.00 C ATOM 440 CE1 TYR A 55 -0.162 12.030 1.175 1.00 0.00 C ATOM 441 CE2 TYR A 55 0.206 9.737 1.828 1.00 0.00 C ATOM 442 CZ TYR A 55 -0.664 10.788 1.554 1.00 0.00 C ATOM 443 OH TYR A 55 -2.013 10.602 1.661 1.00 0.00 O ATOM 0 H TYR A 55 3.859 9.633 -1.027 1.00 0.00 H new ATOM 0 HA TYR A 55 4.005 12.542 -0.637 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.163 10.695 1.763 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.813 12.411 1.724 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.599 13.187 0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.250 9.102 1.938 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.839 12.844 0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.187 8.775 2.121 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.476 11.191 1.029 1.00 0.00 H new ATOM 444 N ALA A 56 6.604 12.291 0.128 1.00 0.00 N ATOM 445 CA ALA A 56 8.048 12.067 0.178 1.00 0.00 C ATOM 446 C ALA A 56 8.474 11.546 1.530 1.00 0.00 C ATOM 447 O ALA A 56 9.639 11.168 1.738 1.00 0.00 O ATOM 448 CB ALA A 56 8.735 13.393 -0.193 1.00 0.00 C ATOM 0 H ALA A 56 6.328 13.251 0.336 1.00 0.00 H new ATOM 0 HA ALA A 56 8.346 11.297 -0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.817 13.262 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.431 13.692 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.445 14.165 0.520 1.00 0.00 H new ATOM 449 N ASN A 57 7.457 11.550 2.603 1.00 0.00 N ATOM 450 CA ASN A 57 7.693 10.911 3.897 1.00 0.00 C ATOM 451 C ASN A 57 6.390 10.676 4.625 1.00 0.00 C ATOM 452 O ASN A 57 5.352 11.277 4.315 1.00 0.00 O ATOM 453 CB ASN A 57 8.654 11.790 4.749 1.00 0.00 C ATOM 454 CG ASN A 57 8.895 11.351 6.197 1.00 0.00 C ATOM 455 OD1 ASN A 57 8.595 12.052 7.152 1.00 0.00 O ATOM 456 ND2 ASN A 57 9.427 10.179 6.417 1.00 0.00 N ATOM 0 H ASN A 57 6.541 11.990 2.514 1.00 0.00 H new ATOM 0 HA ASN A 57 8.159 9.940 3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.618 11.829 4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.261 12.806 4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.586 9.862 7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.684 9.580 5.632 1.00 0.00 H new ATOM 457 N ALA A 58 6.412 9.662 5.702 1.00 0.00 N ATOM 458 CA ALA A 58 5.232 9.369 6.509 1.00 0.00 C ATOM 459 C ALA A 58 4.742 10.602 7.231 1.00 0.00 C ATOM 460 O ALA A 58 3.543 10.762 7.504 1.00 0.00 O ATOM 461 CB ALA A 58 5.588 8.220 7.468 1.00 0.00 C ATOM 0 H ALA A 58 7.235 9.112 5.947 1.00 0.00 H new ATOM 0 HA ALA A 58 4.403 9.056 5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.722 7.980 8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.878 7.342 6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.416 8.524 8.108 1.00 0.00 H new ATOM 462 N SER A 59 5.768 11.591 7.630 1.00 0.00 N ATOM 463 CA SER A 59 5.433 12.771 8.423 1.00 0.00 C ATOM 464 C SER A 59 4.346 13.578 7.753 1.00 0.00 C ATOM 465 O SER A 59 3.570 14.293 8.402 1.00 0.00 O ATOM 466 CB SER A 59 6.690 13.630 8.704 1.00 0.00 C ATOM 467 OG SER A 59 6.543 14.473 9.853 1.00 0.00 O ATOM 0 H SER A 59 6.755 11.517 7.384 1.00 0.00 H new ATOM 0 HA SER A 59 5.048 12.435 9.386 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.548 12.973 8.849 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.905 14.247 7.832 1.00 0.00 H new ATOM 0 HG SER A 59 7.364 14.991 9.986 1.00 0.00 H new ATOM 468 N GLU A 60 4.282 13.491 6.277 1.00 0.00 N ATOM 469 CA GLU A 60 3.206 14.110 5.510 1.00 0.00 C ATOM 470 C GLU A 60 1.891 13.400 5.734 1.00 0.00 C ATOM 471 O GLU A 60 0.909 13.987 6.209 1.00 0.00 O ATOM 472 CB GLU A 60 3.597 14.104 4.005 1.00 0.00 C ATOM 473 CG GLU A 60 2.430 14.111 2.964 1.00 0.00 C ATOM 474 CD GLU A 60 2.228 15.363 2.105 1.00 0.00 C ATOM 475 OE1 GLU A 60 3.146 15.931 1.530 1.00 0.00 O ATOM 476 OE2 GLU A 60 0.933 15.781 2.042 1.00 0.00 O ATOM 0 H GLU A 60 4.973 13.002 5.708 1.00 0.00 H new ATOM 0 HA GLU A 60 3.070 15.138 5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.224 14.975 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.211 13.223 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.581 13.267 2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.502 13.926 3.505 1.00 0.00 H new ATOM 477 N ALA A 61 1.821 11.981 5.318 1.00 0.00 N ATOM 478 CA ALA A 61 0.574 11.227 5.369 1.00 0.00 C ATOM 479 C ALA A 61 -0.073 11.254 6.733 1.00 0.00 C ATOM 480 O ALA A 61 -1.293 11.001 6.859 1.00 0.00 O ATOM 481 CB ALA A 61 0.865 9.803 4.865 1.00 0.00 C ATOM 0 H ALA A 61 2.621 11.448 4.976 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.165 11.696 4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.051 9.213 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.238 9.848 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.615 9.337 5.504 1.00 0.00 H new ATOM 482 N LEU A 62 0.765 11.548 7.914 1.00 0.00 N ATOM 483 CA LEU A 62 0.179 11.762 9.239 1.00 0.00 C ATOM 484 C LEU A 62 -0.338 13.175 9.372 1.00 0.00 C ATOM 485 O LEU A 62 -1.420 13.419 9.931 1.00 0.00 O ATOM 486 CB LEU A 62 1.187 11.417 10.368 1.00 0.00 C ATOM 487 CG LEU A 62 2.616 12.021 10.308 1.00 0.00 C ATOM 488 CD1 LEU A 62 2.670 13.330 11.108 1.00 0.00 C ATOM 489 CD2 LEU A 62 3.691 11.052 10.828 1.00 0.00 C ATOM 0 H LEU A 62 1.782 11.620 7.887 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.667 11.083 9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.740 11.722 11.314 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.289 10.332 10.399 1.00 0.00 H new ATOM 0 HG LEU A 62 2.834 12.216 9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.677 13.745 11.059 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.962 14.044 10.686 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.409 13.132 12.148 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.670 11.526 10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.479 10.797 11.866 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.686 10.145 10.224 1.00 0.00 H new ATOM 490 N ALA A 63 0.524 14.257 8.851 1.00 0.00 N ATOM 491 CA ALA A 63 0.051 15.639 8.753 1.00 0.00 C ATOM 492 C ALA A 63 -1.267 15.697 8.018 1.00 0.00 C ATOM 493 O ALA A 63 -2.097 16.592 8.231 1.00 0.00 O ATOM 494 CB ALA A 63 1.152 16.474 8.079 1.00 0.00 C ATOM 0 H ALA A 63 1.483 14.117 8.533 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.141 16.057 9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.823 17.510 7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.061 16.430 8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.354 16.075 7.085 1.00 0.00 H new ATOM 495 N ALA A 64 -1.528 14.602 7.055 1.00 0.00 N ATOM 496 CA ALA A 64 -2.826 14.435 6.408 1.00 0.00 C ATOM 497 C ALA A 64 -3.848 13.980 7.437 1.00 0.00 C ATOM 498 O ALA A 64 -5.009 14.404 7.465 1.00 0.00 O ATOM 499 CB ALA A 64 -2.653 13.430 5.260 1.00 0.00 C ATOM 0 H ALA A 64 -0.833 13.906 6.785 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.194 15.373 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.609 13.285 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.922 13.813 4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.305 12.478 5.660 1.00 0.00 H new ATOM 500 N GLY A 65 -3.344 12.973 8.402 1.00 0.00 N ATOM 501 CA GLY A 65 -4.128 12.530 9.552 1.00 0.00 C ATOM 502 C GLY A 65 -4.599 11.102 9.314 1.00 0.00 C ATOM 503 O GLY A 65 -5.726 10.708 9.635 1.00 0.00 O ATOM 0 H GLY A 65 -2.429 12.529 8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.526 12.581 10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.984 13.189 9.700 1.00 0.00 H new ATOM 504 N PHE A 66 -3.614 10.233 8.630 1.00 0.00 N ATOM 505 CA PHE A 66 -3.950 8.902 8.143 1.00 0.00 C ATOM 506 C PHE A 66 -3.334 7.814 8.984 1.00 0.00 C ATOM 507 O PHE A 66 -2.676 8.087 10.009 1.00 0.00 O ATOM 508 CB PHE A 66 -3.490 8.763 6.657 1.00 0.00 C ATOM 509 CG PHE A 66 -4.290 7.760 5.812 1.00 0.00 C ATOM 510 CD1 PHE A 66 -5.575 7.387 6.238 1.00 0.00 C ATOM 511 CD2 PHE A 66 -3.763 7.210 4.643 1.00 0.00 C ATOM 512 CE1 PHE A 66 -6.314 6.467 5.504 1.00 0.00 C ATOM 513 CE2 PHE A 66 -4.507 6.290 3.908 1.00 0.00 C ATOM 514 CZ PHE A 66 -5.777 5.917 4.342 1.00 0.00 C ATOM 0 H PHE A 66 -2.647 10.506 8.457 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.031 8.783 8.211 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.551 9.742 6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.441 8.467 6.645 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.990 7.816 7.138 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.778 7.498 4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.302 6.179 5.833 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.099 5.866 3.002 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.349 5.197 3.775 1.00 0.00 H new ATOM 515 N ARG A 67 -3.552 6.411 8.571 1.00 0.00 N ATOM 516 CA ARG A 67 -3.164 5.285 9.431 1.00 0.00 C ATOM 517 C ARG A 67 -1.853 4.657 9.031 1.00 0.00 C ATOM 518 O ARG A 67 -1.698 4.073 7.952 1.00 0.00 O ATOM 519 CB ARG A 67 -4.337 4.269 9.462 1.00 0.00 C ATOM 520 CG ARG A 67 -3.967 2.774 9.278 1.00 0.00 C ATOM 521 CD ARG A 67 -3.155 2.206 10.448 1.00 0.00 C ATOM 522 NE ARG A 67 -3.547 0.786 10.639 1.00 0.00 N ATOM 523 CZ ARG A 67 -2.989 -0.060 11.495 1.00 0.00 C ATOM 524 NH1 ARG A 67 -2.012 0.246 12.297 1.00 0.00 N ATOM 525 NH2 ARG A 67 -3.449 -1.261 11.528 1.00 0.00 N ATOM 0 H ARG A 67 -3.975 6.138 7.684 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.981 5.655 10.440 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.856 4.377 10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.046 4.543 8.680 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.881 2.192 9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.396 2.658 8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.087 2.281 10.242 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.345 2.778 11.356 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.310 0.431 10.063 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.626 1.190 12.293 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.632 -0.458 12.930 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.214 -1.531 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.048 -1.943 12.172 1.00 0.00 H new ATOM 526 N PRO A 68 -0.749 4.752 10.020 1.00 0.00 N ATOM 527 CA PRO A 68 0.673 4.213 9.866 1.00 0.00 C ATOM 528 C PRO A 68 0.774 2.733 9.544 1.00 0.00 C ATOM 529 O PRO A 68 0.264 1.893 10.317 1.00 0.00 O ATOM 530 CB PRO A 68 1.367 4.431 11.214 1.00 0.00 C ATOM 531 CG PRO A 68 0.631 5.671 11.743 1.00 0.00 C ATOM 532 CD PRO A 68 -0.828 5.407 11.350 1.00 0.00 C ATOM 0 HA PRO A 68 1.123 4.739 9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.253 3.573 11.877 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.437 4.607 11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.745 5.777 12.822 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.010 6.588 11.291 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.324 4.765 12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.399 6.334 11.301 1.00 0.00 H new ATOM 533 N CYS A 69 1.455 2.305 8.306 1.00 0.00 N ATOM 534 CA CYS A 69 1.766 0.884 8.011 1.00 0.00 C ATOM 535 C CYS A 69 3.207 0.784 7.583 1.00 0.00 C ATOM 536 O CYS A 69 3.646 0.735 6.423 1.00 0.00 O ATOM 537 CB CYS A 69 0.592 0.339 7.194 1.00 0.00 C ATOM 538 SG CYS A 69 0.803 -1.231 6.350 1.00 0.00 S ATOM 0 H CYS A 69 1.754 2.953 7.577 1.00 0.00 H new ATOM 0 HA CYS A 69 1.793 0.172 8.836 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -0.264 0.245 7.862 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.331 1.087 6.445 1.00 0.00 H new ATOM 539 N LYS A 70 4.181 0.688 8.727 1.00 0.00 N ATOM 540 CA LYS A 70 5.621 0.838 8.606 1.00 0.00 C ATOM 541 C LYS A 70 6.213 -0.052 7.542 1.00 0.00 C ATOM 542 O LYS A 70 6.347 0.330 6.371 1.00 0.00 O ATOM 543 CB LYS A 70 6.295 0.581 9.983 1.00 0.00 C ATOM 544 CG LYS A 70 5.558 -0.456 10.866 1.00 0.00 C ATOM 545 CD LYS A 70 6.465 -1.394 11.667 1.00 0.00 C ATOM 546 CE LYS A 70 6.433 -0.986 13.146 1.00 0.00 C ATOM 547 NZ LYS A 70 7.812 -0.799 13.632 1.00 0.00 N ATOM 0 H LYS A 70 3.880 0.506 9.685 1.00 0.00 H new ATOM 0 HA LYS A 70 5.818 1.863 8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.317 0.239 9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.358 1.524 10.526 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.910 0.078 11.561 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.912 -1.059 10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.131 -2.426 11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.485 -1.346 11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.864 -0.064 13.268 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.929 -1.752 13.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.792 -0.522 14.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.340 -1.689 13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.278 -0.053 13.076 1.00 0.00 H new ATOM 548 N ARG A 71 6.656 -1.392 7.993 1.00 0.00 N ATOM 549 CA ARG A 71 7.083 -2.403 7.006 1.00 0.00 C ATOM 550 C ARG A 71 5.902 -2.646 6.082 1.00 0.00 C ATOM 551 O ARG A 71 5.884 -2.282 4.901 1.00 0.00 O ATOM 552 CB ARG A 71 7.546 -3.681 7.740 1.00 0.00 C ATOM 553 CG ARG A 71 9.081 -3.927 7.733 1.00 0.00 C ATOM 554 CD ARG A 71 9.455 -5.289 7.137 1.00 0.00 C ATOM 555 NE ARG A 71 10.619 -5.824 7.888 1.00 0.00 N ATOM 556 CZ ARG A 71 11.118 -7.047 7.767 1.00 0.00 C ATOM 557 NH1 ARG A 71 10.651 -7.953 6.960 1.00 0.00 N ATOM 558 NH2 ARG A 71 12.130 -7.350 8.501 1.00 0.00 N ATOM 0 H ARG A 71 6.695 -1.694 8.967 1.00 0.00 H new ATOM 0 HA ARG A 71 7.933 -2.068 6.412 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.207 -3.630 8.775 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.054 -4.541 7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.570 -3.138 7.162 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.460 -3.864 8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.612 -5.977 7.203 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.700 -5.186 6.080 1.00 0.00 H new ATOM 0 HE ARG A 71 11.073 -5.198 8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.849 -7.743 6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.087 -8.874 6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.518 -6.660 9.145 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.545 -8.280 8.439 1.00 0.00 H new ATOM 559 N CYS A 72 4.750 -3.321 6.716 1.00 0.00 N ATOM 560 CA CYS A 72 3.431 -3.403 6.102 1.00 0.00 C ATOM 561 C CYS A 72 2.453 -4.093 7.040 1.00 0.00 C ATOM 562 O CYS A 72 1.966 -5.209 6.824 1.00 0.00 O ATOM 563 CB CYS A 72 3.498 -3.973 4.677 1.00 0.00 C ATOM 564 SG CYS A 72 3.146 -2.673 3.442 1.00 0.00 S ATOM 0 H CYS A 72 4.804 -3.775 7.628 1.00 0.00 H new ATOM 0 HA CYS A 72 3.032 -2.399 5.958 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.486 -4.396 4.495 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.779 -4.786 4.571 1.00 0.00 H new ATOM 565 N GLN A 73 2.146 -3.339 8.274 1.00 0.00 N ATOM 566 CA GLN A 73 1.386 -3.876 9.414 1.00 0.00 C ATOM 567 C GLN A 73 0.195 -4.709 9.042 1.00 0.00 C ATOM 568 O GLN A 73 -0.922 -4.210 8.834 1.00 0.00 O ATOM 569 CB GLN A 73 0.931 -2.664 10.295 1.00 0.00 C ATOM 570 CG GLN A 73 0.857 -2.937 11.832 1.00 0.00 C ATOM 571 CD GLN A 73 2.105 -3.445 12.565 1.00 0.00 C ATOM 572 OE1 GLN A 73 2.051 -4.417 13.302 1.00 0.00 O ATOM 573 NE2 GLN A 73 3.246 -2.819 12.425 1.00 0.00 N ATOM 0 H GLN A 73 2.449 -2.376 8.416 1.00 0.00 H new ATOM 0 HA GLN A 73 2.048 -4.556 9.950 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.618 -1.835 10.124 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.052 -2.339 9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.548 -2.010 12.315 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.061 -3.663 11.998 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.310 -2.005 11.813 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.072 -3.145 12.927 1.00 0.00 H new ATOM 574 N PRO A 74 0.417 -6.168 8.966 1.00 0.00 N ATOM 575 CA PRO A 74 -0.614 -7.259 8.650 1.00 0.00 C ATOM 576 C PRO A 74 -1.415 -7.696 9.871 1.00 0.00 C ATOM 577 O PRO A 74 -1.516 -6.949 10.858 1.00 0.00 O ATOM 578 CB PRO A 74 0.154 -8.461 8.130 1.00 0.00 C ATOM 579 CG PRO A 74 1.635 -8.071 8.218 1.00 0.00 C ATOM 580 CD PRO A 74 1.701 -6.887 9.188 1.00 0.00 C ATOM 0 HA PRO A 74 -1.324 -6.859 7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.054 -9.348 8.728 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.130 -8.694 7.104 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.238 -8.905 8.578 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.025 -7.795 7.238 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.798 -7.222 10.221 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.558 -6.247 8.979 1.00 0.00 H new ATOM 581 N ASP A 75 -2.028 -9.040 9.848 1.00 0.00 N ATOM 582 CA ASP A 75 -2.657 -9.622 11.030 1.00 0.00 C ATOM 583 C ASP A 75 -2.117 -11.009 11.298 1.00 0.00 C ATOM 584 O ASP A 75 -1.045 -11.185 11.893 1.00 0.00 O ATOM 585 CB ASP A 75 -4.201 -9.619 10.906 1.00 0.00 C ATOM 586 CG ASP A 75 -4.990 -9.224 12.166 1.00 0.00 C ATOM 587 OD1 ASP A 75 -4.369 -8.250 12.896 1.00 0.00 O ATOM 588 OD2 ASP A 75 -6.048 -9.750 12.481 1.00 0.00 O ATOM 0 H ASP A 75 -2.052 -9.639 9.022 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.405 -8.999 11.889 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.477 -8.936 10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.521 -10.616 10.602 1.00 0.00 H new ATOM 589 N LYS A 76 -2.919 -12.137 10.778 1.00 0.00 N ATOM 590 CA LYS A 76 -2.520 -13.528 10.966 1.00 0.00 C ATOM 591 C LYS A 76 -3.163 -14.414 9.922 1.00 0.00 C ATOM 592 O LYS A 76 -4.347 -14.268 9.591 1.00 0.00 O ATOM 593 CB LYS A 76 -2.904 -13.988 12.399 1.00 0.00 C ATOM 594 CG LYS A 76 -2.148 -15.258 12.864 1.00 0.00 C ATOM 595 CD LYS A 76 -2.885 -16.098 13.911 1.00 0.00 C ATOM 596 CE LYS A 76 -1.872 -16.969 14.666 1.00 0.00 C ATOM 597 NZ LYS A 76 -1.363 -16.227 15.833 1.00 0.00 N ATOM 0 H LYS A 76 -3.791 -12.020 10.261 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.440 -13.610 10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.701 -13.177 13.099 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.976 -14.179 12.435 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.947 -15.883 11.994 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.182 -14.960 13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.415 -15.449 14.608 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.634 -16.726 13.429 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.343 -17.897 14.989 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.048 -17.242 14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.676 -16.816 16.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.899 -15.353 15.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.154 -15.988 16.464 1.00 0.00 H new ATOM 598 N ALA A 77 -2.290 -15.424 9.291 1.00 0.00 N ATOM 599 CA ALA A 77 -2.769 -16.472 8.395 1.00 0.00 C ATOM 600 C ALA A 77 -4.249 -16.740 8.515 1.00 0.00 C ATOM 601 O ALA A 77 -5.001 -16.706 7.530 1.00 0.00 O ATOM 602 CB ALA A 77 -1.920 -17.733 8.675 1.00 0.00 C ATOM 0 H ALA A 77 -1.282 -15.454 9.443 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.647 -16.147 7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.247 -18.544 8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.870 -17.514 8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.044 -18.031 9.716 1.00 0.00 H new ATOM 603 N ASN A 78 -4.756 -17.007 9.880 1.00 0.00 N ATOM 604 CA ASN A 78 -6.179 -17.142 10.177 1.00 0.00 C ATOM 605 C ASN A 78 -6.390 -17.694 11.567 1.00 0.00 C ATOM 606 O ASN A 78 -6.221 -18.892 11.828 1.00 0.00 O ATOM 607 CB ASN A 78 -6.851 -18.060 9.114 1.00 0.00 C ATOM 608 CG ASN A 78 -7.754 -17.381 8.079 1.00 0.00 C ATOM 609 OD1 ASN A 78 -7.931 -16.172 8.058 1.00 0.00 O ATOM 610 ND2 ASN A 78 -8.342 -18.121 7.179 1.00 0.00 N ATOM 0 H ASN A 78 -4.151 -17.113 10.694 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.640 -16.155 10.138 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.064 -18.592 8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.442 -18.810 9.639 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.938 -17.688 6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.206 -19.132 7.181 1.00 0.00 H new ATOM 611 N PRO A 79 -6.830 -16.723 12.589 1.00 0.00 N ATOM 612 CA PRO A 79 -7.111 -17.022 14.066 1.00 0.00 C ATOM 613 C PRO A 79 -7.756 -18.363 14.333 1.00 0.00 C ATOM 614 O PRO A 79 -8.422 -18.947 13.466 1.00 0.00 O ATOM 615 CB PRO A 79 -8.066 -15.921 14.522 1.00 0.00 C ATOM 616 CG PRO A 79 -7.492 -14.719 13.757 1.00 0.00 C ATOM 617 CD PRO A 79 -7.088 -15.277 12.389 1.00 0.00 C ATOM 0 HA PRO A 79 -6.161 -17.054 14.600 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -9.100 -16.130 14.250 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -8.044 -15.774 15.602 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -8.232 -13.925 13.657 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -6.635 -14.292 14.278 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.880 -15.121 11.656 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -6.199 -14.772 12.010 1.00 0.00 H new ATOM 618 N ARG A 80 -7.540 -18.947 15.675 1.00 0.00 N ATOM 619 CA ARG A 80 -8.050 -20.262 16.048 1.00 0.00 C ATOM 620 C ARG A 80 -7.247 -21.366 15.400 1.00 0.00 C ATOM 621 O ARG A 80 -7.493 -21.764 14.253 1.00 0.00 O ATOM 622 CB ARG A 80 -9.552 -20.354 15.661 1.00 0.00 C ATOM 623 CG ARG A 80 -10.372 -21.393 16.472 1.00 0.00 C ATOM 624 CD ARG A 80 -11.845 -21.446 16.045 1.00 0.00 C ATOM 625 NE ARG A 80 -12.570 -22.339 16.984 1.00 0.00 N ATOM 626 CZ ARG A 80 -13.881 -22.340 17.188 1.00 0.00 C ATOM 627 NH1 ARG A 80 -14.719 -21.552 16.582 1.00 0.00 N ATOM 628 NH2 ARG A 80 -14.347 -23.179 18.044 1.00 0.00 N ATOM 0 H ARG A 80 -7.026 -18.475 16.419 1.00 0.00 H new ATOM 0 HA ARG A 80 -7.951 -20.391 17.126 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -10.007 -19.372 15.791 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -9.625 -20.601 14.602 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.926 -22.380 16.347 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -10.314 -21.148 17.533 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.281 -20.447 16.058 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -11.931 -21.818 15.024 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.014 -23.008 17.517 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.380 -20.876 15.898 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.716 -21.610 16.791 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.714 -23.810 18.536 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.349 -23.213 18.231 1.00 0.00 H new ATOM 629 N GLN A 81 -6.172 -21.963 16.222 1.00 0.00 N ATOM 630 CA GLN A 81 -5.428 -23.143 15.793 1.00 0.00 C ATOM 631 C GLN A 81 -6.358 -24.226 15.300 1.00 0.00 C ATOM 632 O GLN A 81 -7.582 -24.167 15.479 1.00 0.00 O ATOM 633 CB GLN A 81 -4.574 -23.647 16.978 1.00 0.00 C ATOM 634 CG GLN A 81 -5.315 -24.521 18.043 1.00 0.00 C ATOM 635 CD GLN A 81 -5.865 -23.853 19.308 1.00 0.00 C ATOM 636 OE1 GLN A 81 -5.118 -23.455 20.188 1.00 0.00 O ATOM 637 NE2 GLN A 81 -7.157 -23.707 19.462 1.00 0.00 N ATOM 0 H GLN A 81 -5.884 -21.595 17.129 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.778 -22.877 14.960 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.742 -24.227 16.578 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.145 -22.782 17.484 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.150 -25.011 17.542 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.628 -25.306 18.359 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.797 -24.033 18.738 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.523 -23.267 20.306 1.00 0.00 H new ATOM 638 N HIS A 82 -5.721 -25.379 14.626 1.00 0.00 N ATOM 639 CA HIS A 82 -6.480 -26.561 14.227 1.00 0.00 C ATOM 640 C HIS A 82 -5.653 -27.815 14.391 1.00 0.00 C ATOM 641 O HIS A 82 -4.518 -27.915 13.905 1.00 0.00 O ATOM 642 CB HIS A 82 -6.853 -26.357 12.749 1.00 0.00 C ATOM 643 CG HIS A 82 -5.823 -25.557 12.007 1.00 0.00 C ATOM 644 ND1 HIS A 82 -5.552 -24.204 12.194 1.00 0.00 N ATOM 645 CD2 HIS A 82 -5.009 -26.108 11.027 1.00 0.00 C ATOM 646 CE1 HIS A 82 -4.567 -24.040 11.290 1.00 0.00 C ATOM 647 NE2 HIS A 82 -4.185 -25.119 10.555 1.00 0.00 N ATOM 0 H HIS A 82 -4.728 -25.424 14.399 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.366 -26.682 14.850 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.970 -27.328 12.269 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.817 -25.852 12.686 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.022 -27.135 10.695 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.094 -23.079 11.153 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.466 -25.178 9.834 1.00 0.00 H new ATOM 648 N ARG A 83 -6.288 -28.928 15.130 1.00 0.00 N ATOM 649 CA ARG A 83 -5.571 -30.163 15.433 1.00 0.00 C ATOM 650 C ARG A 83 -5.437 -31.027 14.202 1.00 0.00 C ATOM 651 O ARG A 83 -4.425 -31.712 13.993 1.00 0.00 O ATOM 652 CB ARG A 83 -6.316 -30.912 16.572 1.00 0.00 C ATOM 653 CG ARG A 83 -5.589 -32.173 17.110 1.00 0.00 C ATOM 654 CD ARG A 83 -5.609 -32.254 18.642 1.00 0.00 C ATOM 655 NE ARG A 83 -4.349 -31.660 19.158 1.00 0.00 N ATOM 656 CZ ARG A 83 -4.007 -31.572 20.436 1.00 0.00 C ATOM 657 NH1 ARG A 83 -4.736 -32.002 21.423 1.00 0.00 N ATOM 658 NH2 ARG A 83 -2.877 -31.022 20.711 1.00 0.00 N ATOM 0 H ARG A 83 -7.249 -28.907 15.470 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.561 -29.924 15.765 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.473 -30.220 17.400 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.301 -31.205 16.210 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.060 -33.064 16.696 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.556 -32.168 16.763 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.471 -31.719 19.039 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.700 -33.291 18.966 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.692 -31.289 18.472 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.637 -32.442 21.237 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.406 -31.900 22.383 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.283 -30.674 19.959 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.575 -30.934 21.681 1.00 0.00 H new ATOM 659 N LEU A 84 -6.592 -31.038 13.279 1.00 0.00 N ATOM 660 CA LEU A 84 -6.667 -31.953 12.141 1.00 0.00 C ATOM 661 C LEU A 84 -5.713 -31.528 11.049 1.00 0.00 C ATOM 662 O LEU A 84 -4.514 -31.294 11.309 1.00 0.00 O ATOM 663 CB LEU A 84 -8.130 -32.066 11.632 1.00 0.00 C ATOM 664 CG LEU A 84 -8.620 -33.447 11.116 1.00 0.00 C ATOM 665 CD1 LEU A 84 -8.756 -34.428 12.289 1.00 0.00 C ATOM 666 CD2 LEU A 84 -9.952 -33.360 10.354 1.00 0.00 C ATOM 0 H LEU A 84 -7.398 -30.420 13.373 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.358 -32.947 12.465 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.790 -31.760 12.444 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.259 -31.344 10.826 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.870 -33.806 10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.100 -35.393 11.918 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.788 -34.550 12.775 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.477 -34.038 13.008 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.244 -34.355 10.018 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.722 -32.959 11.012 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.835 -32.705 9.491 1.00 0.00 H new ATOM 667 N ASP A 85 -6.225 -31.436 9.666 1.00 0.00 N ATOM 668 CA ASP A 85 -5.408 -30.900 8.575 1.00 0.00 C ATOM 669 C ASP A 85 -4.511 -31.972 8.005 1.00 0.00 C ATOM 670 O ASP A 85 -4.721 -33.176 8.213 1.00 0.00 O ATOM 671 CB ASP A 85 -4.609 -29.661 9.053 1.00 0.00 C ATOM 672 CG ASP A 85 -4.507 -28.484 8.072 1.00 0.00 C ATOM 673 OD1 ASP A 85 -5.606 -28.367 7.268 1.00 0.00 O ATOM 674 OD2 ASP A 85 -3.549 -27.726 8.039 1.00 0.00 O ATOM 0 H ASP A 85 -7.160 -31.733 9.385 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.065 -30.571 7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.064 -29.297 9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.598 -29.984 9.303 1.00 0.00 H new ATOM 675 N LYS A 86 -3.392 -31.513 7.153 1.00 0.00 N ATOM 676 CA LYS A 86 -2.385 -32.438 6.641 1.00 0.00 C ATOM 677 C LYS A 86 -3.033 -33.597 5.920 1.00 0.00 C ATOM 678 O LYS A 86 -2.489 -34.707 5.850 1.00 0.00 O ATOM 679 CB LYS A 86 -1.500 -32.940 7.815 1.00 0.00 C ATOM 680 CG LYS A 86 -0.046 -33.270 7.394 1.00 0.00 C ATOM 681 CD LYS A 86 0.737 -32.092 6.806 1.00 0.00 C ATOM 682 CE LYS A 86 1.517 -31.393 7.927 1.00 0.00 C ATOM 683 NZ LYS A 86 2.718 -30.752 7.362 1.00 0.00 N ATOM 0 H LYS A 86 -3.252 -30.542 6.873 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.756 -31.915 5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.480 -32.180 8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.956 -33.830 8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.492 -33.647 8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.069 -34.075 6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.422 -32.444 6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.055 -31.389 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.888 -30.647 8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.803 -32.116 8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.248 -30.278 8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.321 -31.474 6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.434 -30.051 6.648 1.00 0.00 H new ATOM 684 N ILE A 87 -4.368 -33.342 5.337 1.00 0.00 N ATOM 685 CA ILE A 87 -5.110 -34.374 4.620 1.00 0.00 C ATOM 686 C ILE A 87 -4.991 -34.186 3.126 1.00 0.00 C ATOM 687 O ILE A 87 -4.880 -35.149 2.354 1.00 0.00 O ATOM 688 CB ILE A 87 -6.621 -34.429 5.087 1.00 0.00 C ATOM 689 CG1 ILE A 87 -7.268 -35.851 5.038 1.00 0.00 C ATOM 690 CG2 ILE A 87 -7.538 -33.452 4.288 1.00 0.00 C ATOM 691 CD1 ILE A 87 -7.175 -36.586 3.685 1.00 0.00 C ATOM 0 H ILE A 87 -4.850 -32.445 5.396 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.665 -35.338 4.865 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.563 -34.119 6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.795 -36.471 5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.320 -35.760 5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.562 -33.534 4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.186 -32.429 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.508 -33.709 3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.656 -37.561 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.676 -35.998 2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.128 -36.719 3.415 1.00 0.00 H new ATOM 692 N THR A 88 -5.051 -32.793 2.634 1.00 0.00 N ATOM 693 CA THR A 88 -4.812 -32.455 1.234 1.00 0.00 C ATOM 694 C THR A 88 -3.506 -31.712 1.072 1.00 0.00 C ATOM 695 O THR A 88 -2.933 -31.184 2.034 1.00 0.00 O ATOM 696 CB THR A 88 -6.002 -31.613 0.660 1.00 0.00 C ATOM 697 OG1 THR A 88 -6.710 -30.970 1.711 1.00 0.00 O ATOM 698 CG2 THR A 88 -7.085 -32.397 -0.113 1.00 0.00 C ATOM 0 H THR A 88 -5.259 -31.991 3.228 1.00 0.00 H new ATOM 0 HA THR A 88 -4.743 -33.384 0.668 1.00 0.00 H new ATOM 0 HB THR A 88 -5.500 -30.936 -0.031 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.449 -30.447 1.336 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.855 -31.708 -0.461 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.631 -32.896 -0.969 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.535 -33.141 0.545 1.00 0.00 H new ATOM 699 N HIS A 89 -2.959 -31.642 -0.300 1.00 0.00 N ATOM 700 CA HIS A 89 -1.696 -30.970 -0.597 1.00 0.00 C ATOM 701 C HIS A 89 -1.934 -29.613 -1.214 1.00 0.00 C ATOM 702 O HIS A 89 -1.702 -28.565 -0.595 1.00 0.00 O ATOM 703 CB HIS A 89 -0.942 -31.882 -1.580 1.00 0.00 C ATOM 704 CG HIS A 89 0.409 -31.338 -1.941 1.00 0.00 C ATOM 705 ND1 HIS A 89 0.725 -29.993 -2.115 1.00 0.00 N ATOM 706 CD2 HIS A 89 1.515 -32.151 -2.144 1.00 0.00 C ATOM 707 CE1 HIS A 89 2.033 -30.102 -2.418 1.00 0.00 C ATOM 708 NE2 HIS A 89 2.581 -31.346 -2.456 1.00 0.00 N ATOM 0 H HIS A 89 -3.418 -32.050 -1.115 1.00 0.00 H new ATOM 0 HA HIS A 89 -1.122 -30.804 0.315 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -0.826 -32.872 -1.138 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.535 -32.005 -2.486 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.533 -33.228 -2.069 1.00 0.00 H new ATOM 0 HE1 HIS A 89 2.630 -29.226 -2.625 1.00 0.00 H new ATOM 0 HE2 HIS A 89 3.543 -31.613 -2.664 1.00 0.00 H new ATOM 709 N ALA A 90 -2.436 -29.604 -2.605 1.00 0.00 N ATOM 710 CA ALA A 90 -2.631 -28.363 -3.349 1.00 0.00 C ATOM 711 C ALA A 90 -3.951 -27.720 -2.994 1.00 0.00 C ATOM 712 O ALA A 90 -4.930 -28.393 -2.642 1.00 0.00 O ATOM 713 CB ALA A 90 -2.514 -28.695 -4.847 1.00 0.00 C ATOM 0 H ALA A 90 -2.675 -30.447 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.869 -27.629 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.655 -27.787 -5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.527 -29.109 -5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.277 -29.424 -5.119 1.00 0.00 H new ATOM 714 N CYS A 91 -4.017 -26.248 -3.117 1.00 0.00 N ATOM 715 CA CYS A 91 -5.213 -25.494 -2.755 1.00 0.00 C ATOM 716 C CYS A 91 -5.418 -24.323 -3.688 1.00 0.00 C ATOM 717 O CYS A 91 -4.545 -23.460 -3.853 1.00 0.00 O ATOM 718 CB CYS A 91 -5.091 -25.057 -1.282 1.00 0.00 C ATOM 719 SG CYS A 91 -6.651 -25.315 -0.407 1.00 0.00 S ATOM 0 H CYS A 91 -3.246 -25.673 -3.456 1.00 0.00 H new ATOM 0 HA CYS A 91 -6.098 -26.122 -2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -4.297 -25.623 -0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -4.810 -24.005 -1.232 1.00 0.00 H new ATOM 0 HG CYS A 91 -6.521 -24.941 0.831 1.00 0.00 H new ATOM 720 N ARG A 92 -6.732 -24.247 -4.363 1.00 0.00 N ATOM 721 CA ARG A 92 -7.024 -23.242 -5.383 1.00 0.00 C ATOM 722 C ARG A 92 -8.503 -22.936 -5.428 1.00 0.00 C ATOM 723 O ARG A 92 -9.328 -23.764 -5.809 1.00 0.00 O ATOM 724 CB ARG A 92 -6.509 -23.745 -6.758 1.00 0.00 C ATOM 725 CG ARG A 92 -5.212 -24.595 -6.709 1.00 0.00 C ATOM 726 CD ARG A 92 -3.949 -23.734 -6.578 1.00 0.00 C ATOM 727 NE ARG A 92 -3.454 -23.421 -7.942 1.00 0.00 N ATOM 728 CZ ARG A 92 -3.755 -22.335 -8.641 1.00 0.00 C ATOM 729 NH1 ARG A 92 -4.536 -21.385 -8.218 1.00 0.00 N ATOM 730 NH2 ARG A 92 -3.238 -22.220 -9.812 1.00 0.00 N ATOM 731 OXT ARG A 92 -8.887 -21.631 -4.985 1.00 0.00 O ATOM 0 H ARG A 92 -7.508 -24.879 -4.165 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.511 -22.313 -5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.295 -24.337 -7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.334 -22.882 -7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.266 -25.286 -5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.143 -25.199 -7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.170 -22.815 -6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.185 -24.265 -6.009 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.829 -24.099 -8.379 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.961 -21.448 -7.293 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.723 -20.577 -8.811 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.622 -22.949 -10.171 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.444 -21.400 -10.382 1.00 0.00 H new TER 732 ARG A 92 HETATM 733 ZN ZN A 93 1.384 -1.279 4.181 1.00 0.00 ZN