USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 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 4 LYS NZ :NH3+ 171:sc= -0.143 (180deg=-0.15) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -63:sc= 0.175 USER MOD Single : A 20 CYS SG : rot 180:sc= -2.16 USER MOD Single : A 21 SER OG : rot 120:sc= 1.2 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 133:sc= 1.19 (180deg=0.208) USER MOD Single : A 28 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0427) USER MOD Single : A 29 SER OG : rot -39:sc= 0.011 USER MOD Single : A 31 HIS : no HE2:sc= -3.37 K(o=-3.4,f=-9.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -170:sc= -2.68! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -97:sc= 0.904 USER MOD Single : A 50 GLN : amide:sc= -0.642 K(o=-0.64,f=-4.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.044) USER MOD Single : A 58 TYR OH : rot -69:sc= 1.19 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0373) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.181) USER MOD Single : A 69 TYR OH : rot 165:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.114) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.42 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.676 21.441 -1.493 1.00 0.00 N ATOM 2 CA MET A 1 -12.914 20.205 -1.148 1.00 0.00 C ATOM 3 C MET A 1 -11.416 20.429 -1.368 1.00 0.00 C ATOM 4 O MET A 1 -10.982 20.743 -2.461 1.00 0.00 O ATOM 5 CB MET A 1 -13.444 19.134 -2.101 1.00 0.00 C ATOM 6 CG MET A 1 -13.085 17.748 -1.562 1.00 0.00 C ATOM 7 SD MET A 1 -14.198 17.324 -0.199 1.00 0.00 S ATOM 8 CE MET A 1 -14.210 15.534 -0.463 1.00 0.00 C ATOM 0 H1 MET A 1 -14.691 21.277 -1.340 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.357 22.225 -0.889 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.511 21.683 -2.491 1.00 0.00 H new ATOM 0 HA MET A 1 -13.041 19.919 -0.104 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.525 19.227 -2.204 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.016 19.272 -3.094 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.165 17.005 -2.356 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.051 17.736 -1.218 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.848 15.060 0.283 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.593 15.316 -1.460 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.196 15.146 -0.371 1.00 0.00 H new ATOM 20 N LYS A 2 -10.625 20.267 -0.338 1.00 0.00 N ATOM 21 CA LYS A 2 -9.153 20.466 -0.477 1.00 0.00 C ATOM 22 C LYS A 2 -8.435 19.113 -0.504 1.00 0.00 C ATOM 23 O LYS A 2 -9.046 18.076 -0.332 1.00 0.00 O ATOM 24 CB LYS A 2 -8.743 21.265 0.761 1.00 0.00 C ATOM 25 CG LYS A 2 -9.029 22.751 0.529 1.00 0.00 C ATOM 26 CD LYS A 2 -10.437 23.085 1.026 1.00 0.00 C ATOM 27 CE LYS A 2 -10.436 23.180 2.551 1.00 0.00 C ATOM 28 NZ LYS A 2 -11.676 22.475 2.983 1.00 0.00 N ATOM 0 H LYS A 2 -10.938 20.004 0.597 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.892 20.982 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.292 20.910 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.683 21.116 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.293 23.360 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.941 22.988 -0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.772 24.028 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.140 22.318 0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.548 22.712 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.437 24.219 2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.745 22.498 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.506 22.947 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.644 21.487 2.660 1.00 0.00 H new ATOM 42 N LYS A 3 -7.142 19.121 -0.716 1.00 0.00 N ATOM 43 CA LYS A 3 -6.374 17.844 -0.753 1.00 0.00 C ATOM 44 C LYS A 3 -4.869 18.131 -0.764 1.00 0.00 C ATOM 45 O LYS A 3 -4.097 17.419 -1.377 1.00 0.00 O ATOM 46 CB LYS A 3 -6.798 17.153 -2.051 1.00 0.00 C ATOM 47 CG LYS A 3 -6.453 15.665 -1.973 1.00 0.00 C ATOM 48 CD LYS A 3 -7.147 14.919 -3.114 1.00 0.00 C ATOM 49 CE LYS A 3 -7.055 13.412 -2.868 1.00 0.00 C ATOM 50 NZ LYS A 3 -7.949 12.800 -3.889 1.00 0.00 N ATOM 0 H LYS A 3 -6.585 19.963 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.574 17.222 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.869 17.281 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.292 17.610 -2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.374 15.527 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.769 15.258 -1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.191 15.224 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.680 15.172 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.030 13.056 -2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.376 13.157 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.939 11.765 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.919 13.152 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.615 13.055 -4.840 1.00 0.00 H new ATOM 64 N LYS A 4 -4.449 19.173 -0.087 1.00 0.00 N ATOM 65 CA LYS A 4 -2.990 19.525 -0.041 1.00 0.00 C ATOM 66 C LYS A 4 -2.418 19.652 -1.460 1.00 0.00 C ATOM 67 O LYS A 4 -3.147 19.815 -2.421 1.00 0.00 O ATOM 68 CB LYS A 4 -2.312 18.373 0.719 1.00 0.00 C ATOM 69 CG LYS A 4 -1.788 18.877 2.066 1.00 0.00 C ATOM 70 CD LYS A 4 -1.490 17.686 2.978 1.00 0.00 C ATOM 71 CE LYS A 4 -1.398 18.162 4.429 1.00 0.00 C ATOM 72 NZ LYS A 4 -1.746 16.969 5.249 1.00 0.00 N ATOM 0 H LYS A 4 -5.057 19.800 0.440 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.822 20.484 0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.022 17.561 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.491 17.969 0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.885 19.470 1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.525 19.530 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.274 16.935 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.555 17.212 2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.397 18.523 4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.086 18.986 4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.558 17.170 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.754 16.744 5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.170 16.159 4.945 1.00 0.00 H new ATOM 86 N ASP A 5 -1.118 19.583 -1.590 1.00 0.00 N ATOM 87 CA ASP A 5 -0.484 19.703 -2.937 1.00 0.00 C ATOM 88 C ASP A 5 0.569 18.597 -3.127 1.00 0.00 C ATOM 89 O ASP A 5 0.809 17.823 -2.222 1.00 0.00 O ATOM 90 CB ASP A 5 0.176 21.088 -2.939 1.00 0.00 C ATOM 91 CG ASP A 5 -0.577 22.022 -3.890 1.00 0.00 C ATOM 92 OD1 ASP A 5 -0.901 21.586 -4.983 1.00 0.00 O ATOM 93 OD2 ASP A 5 -0.815 23.157 -3.510 1.00 0.00 O ATOM 0 H ASP A 5 -0.466 19.448 -0.818 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.204 19.595 -3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.175 21.503 -1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.218 21.004 -3.247 1.00 0.00 H new ATOM 98 N PRO A 6 1.169 18.551 -4.300 1.00 0.00 N ATOM 99 CA PRO A 6 2.198 17.514 -4.575 1.00 0.00 C ATOM 100 C PRO A 6 3.477 17.809 -3.785 1.00 0.00 C ATOM 101 O PRO A 6 4.228 16.913 -3.451 1.00 0.00 O ATOM 102 CB PRO A 6 2.441 17.635 -6.077 1.00 0.00 C ATOM 103 CG PRO A 6 2.050 19.035 -6.421 1.00 0.00 C ATOM 104 CD PRO A 6 0.958 19.432 -5.462 1.00 0.00 C ATOM 0 HA PRO A 6 1.886 16.512 -4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.485 17.445 -6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 6 1.845 16.911 -6.633 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.904 19.707 -6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.700 19.096 -7.452 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.033 20.484 -5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.030 19.287 -5.899 1.00 0.00 H new ATOM 112 N ASN A 7 3.731 19.060 -3.497 1.00 0.00 N ATOM 113 CA ASN A 7 4.969 19.422 -2.740 1.00 0.00 C ATOM 114 C ASN A 7 4.782 19.142 -1.245 1.00 0.00 C ATOM 115 O ASN A 7 5.742 18.942 -0.523 1.00 0.00 O ATOM 116 CB ASN A 7 5.161 20.920 -2.984 1.00 0.00 C ATOM 117 CG ASN A 7 6.601 21.312 -2.646 1.00 0.00 C ATOM 118 OD1 ASN A 7 6.902 21.651 -1.519 1.00 0.00 O ATOM 119 ND2 ASN A 7 7.510 21.280 -3.582 1.00 0.00 N ATOM 0 H ASN A 7 3.135 19.847 -3.753 1.00 0.00 H new ATOM 0 HA ASN A 7 5.832 18.841 -3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.942 21.161 -4.024 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.464 21.491 -2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.473 21.540 -3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 7 7.258 20.995 -4.528 1.00 0.00 H new ATOM 126 N ALA A 8 3.558 19.108 -0.778 1.00 0.00 N ATOM 127 CA ALA A 8 3.313 18.821 0.666 1.00 0.00 C ATOM 128 C ALA A 8 2.931 17.340 0.835 1.00 0.00 C ATOM 129 O ALA A 8 2.114 16.839 0.087 1.00 0.00 O ATOM 130 CB ALA A 8 2.144 19.727 1.060 1.00 0.00 C ATOM 0 H ALA A 8 2.719 19.267 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 8 4.190 19.005 1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.903 19.574 2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.421 20.769 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.274 19.485 0.450 1.00 0.00 H new ATOM 136 N PRO A 9 3.530 16.671 1.800 1.00 0.00 N ATOM 137 CA PRO A 9 3.218 15.235 2.014 1.00 0.00 C ATOM 138 C PRO A 9 1.815 15.073 2.606 1.00 0.00 C ATOM 139 O PRO A 9 1.564 15.439 3.739 1.00 0.00 O ATOM 140 CB PRO A 9 4.286 14.774 3.001 1.00 0.00 C ATOM 141 CG PRO A 9 4.706 16.011 3.725 1.00 0.00 C ATOM 142 CD PRO A 9 4.527 17.163 2.769 1.00 0.00 C ATOM 0 HA PRO A 9 3.224 14.655 1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.890 14.029 3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.128 14.314 2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.103 16.157 4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.744 15.935 4.048 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.176 18.058 3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.465 17.424 2.279 1.00 0.00 H new ATOM 150 N LYS A 10 0.900 14.524 1.844 1.00 0.00 N ATOM 151 CA LYS A 10 -0.489 14.330 2.355 1.00 0.00 C ATOM 152 C LYS A 10 -0.489 13.277 3.467 1.00 0.00 C ATOM 153 O LYS A 10 0.536 12.991 4.056 1.00 0.00 O ATOM 154 CB LYS A 10 -1.304 13.853 1.143 1.00 0.00 C ATOM 155 CG LYS A 10 -0.734 12.530 0.609 1.00 0.00 C ATOM 156 CD LYS A 10 -0.600 12.596 -0.916 1.00 0.00 C ATOM 157 CE LYS A 10 0.218 11.400 -1.410 1.00 0.00 C ATOM 158 NZ LYS A 10 0.207 11.516 -2.895 1.00 0.00 N ATOM 0 H LYS A 10 1.058 14.202 0.889 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.909 15.241 2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.348 13.720 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.281 14.610 0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.239 12.335 1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.387 11.703 0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.587 12.591 -1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.115 13.527 -1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.235 11.428 -1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.223 10.458 -1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.748 10.730 -3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.774 11.479 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.639 12.419 -3.176 1.00 0.00 H new ATOM 172 N ARG A 11 -1.626 12.694 3.755 1.00 0.00 N ATOM 173 CA ARG A 11 -1.687 11.653 4.829 1.00 0.00 C ATOM 174 C ARG A 11 -0.766 10.474 4.468 1.00 0.00 C ATOM 175 O ARG A 11 -0.689 10.094 3.317 1.00 0.00 O ATOM 176 CB ARG A 11 -3.148 11.194 4.865 1.00 0.00 C ATOM 177 CG ARG A 11 -3.878 11.889 6.016 1.00 0.00 C ATOM 178 CD ARG A 11 -3.985 13.388 5.722 1.00 0.00 C ATOM 179 NE ARG A 11 -4.461 13.996 6.995 1.00 0.00 N ATOM 180 CZ ARG A 11 -3.940 15.115 7.418 1.00 0.00 C ATOM 181 NH1 ARG A 11 -2.644 15.237 7.511 1.00 0.00 N ATOM 182 NH2 ARG A 11 -4.714 16.111 7.750 1.00 0.00 N ATOM 0 H ARG A 11 -2.514 12.893 3.294 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.360 12.038 5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.636 11.427 3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.197 10.112 4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.872 11.460 6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.341 11.728 6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.022 13.801 5.423 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.682 13.582 4.907 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.194 13.538 7.536 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.039 14.458 7.253 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.237 16.112 7.842 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.727 16.015 7.679 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.306 16.986 8.081 1.00 0.00 H new ATOM 196 N PRO A 12 -0.088 9.927 5.456 1.00 0.00 N ATOM 197 CA PRO A 12 0.823 8.788 5.191 1.00 0.00 C ATOM 198 C PRO A 12 0.010 7.507 4.929 1.00 0.00 C ATOM 199 O PRO A 12 -0.870 7.178 5.700 1.00 0.00 O ATOM 200 CB PRO A 12 1.631 8.661 6.478 1.00 0.00 C ATOM 201 CG PRO A 12 0.768 9.257 7.542 1.00 0.00 C ATOM 202 CD PRO A 12 -0.099 10.298 6.882 1.00 0.00 C ATOM 0 HA PRO A 12 1.453 8.939 4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.862 7.619 6.697 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.581 9.189 6.400 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.155 8.490 8.015 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.378 9.705 8.326 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.111 10.289 7.288 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.297 11.302 7.035 1.00 0.00 H new ATOM 210 N PRO A 13 0.320 6.818 3.849 1.00 0.00 N ATOM 211 CA PRO A 13 -0.413 5.576 3.523 1.00 0.00 C ATOM 212 C PRO A 13 0.146 4.407 4.337 1.00 0.00 C ATOM 213 O PRO A 13 1.060 4.574 5.123 1.00 0.00 O ATOM 214 CB PRO A 13 -0.151 5.383 2.035 1.00 0.00 C ATOM 215 CG PRO A 13 1.138 6.096 1.755 1.00 0.00 C ATOM 216 CD PRO A 13 1.357 7.114 2.848 1.00 0.00 C ATOM 0 HA PRO A 13 -1.477 5.628 3.754 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.076 4.325 1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.964 5.795 1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.966 5.388 1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.099 6.585 0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.356 7.027 3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.261 8.131 2.467 1.00 0.00 H new ATOM 224 N SER A 14 -0.394 3.228 4.156 1.00 0.00 N ATOM 225 CA SER A 14 0.107 2.046 4.923 1.00 0.00 C ATOM 226 C SER A 14 -0.494 0.747 4.376 1.00 0.00 C ATOM 227 O SER A 14 -1.214 0.050 5.065 1.00 0.00 O ATOM 228 CB SER A 14 -0.353 2.284 6.364 1.00 0.00 C ATOM 229 OG SER A 14 0.165 1.256 7.198 1.00 0.00 O ATOM 0 H SER A 14 -1.160 3.033 3.511 1.00 0.00 H new ATOM 0 HA SER A 14 1.190 1.943 4.848 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.009 3.258 6.712 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.442 2.294 6.413 1.00 0.00 H new ATOM 0 HG SER A 14 -0.200 0.391 6.916 1.00 0.00 H new ATOM 235 N ALA A 15 -0.216 0.415 3.130 1.00 0.00 N ATOM 236 CA ALA A 15 -0.767 -0.837 2.502 1.00 0.00 C ATOM 237 C ALA A 15 -2.268 -0.695 2.253 1.00 0.00 C ATOM 238 O ALA A 15 -2.691 -0.495 1.130 1.00 0.00 O ATOM 239 CB ALA A 15 -0.466 -2.006 3.458 1.00 0.00 C ATOM 0 H ALA A 15 0.379 0.968 2.513 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.301 -1.020 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.853 -2.932 3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.611 -2.093 3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.943 -1.821 4.420 1.00 0.00 H new ATOM 245 N PHE A 16 -3.081 -0.798 3.278 1.00 0.00 N ATOM 246 CA PHE A 16 -4.566 -0.670 3.086 1.00 0.00 C ATOM 247 C PHE A 16 -4.909 0.597 2.297 1.00 0.00 C ATOM 248 O PHE A 16 -5.701 0.569 1.374 1.00 0.00 O ATOM 249 CB PHE A 16 -5.138 -0.573 4.497 1.00 0.00 C ATOM 250 CG PHE A 16 -6.621 -0.866 4.460 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.083 -2.067 3.910 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.532 0.065 4.974 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.456 -2.338 3.874 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.906 -0.206 4.937 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.368 -1.408 4.387 1.00 0.00 C ATOM 0 H PHE A 16 -2.783 -0.965 4.239 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.972 -1.511 2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.633 -1.280 5.155 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.963 0.423 4.904 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.380 -2.785 3.513 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.175 0.992 5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.812 -3.265 3.450 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.609 0.512 5.333 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.427 -1.617 4.359 1.00 0.00 H new ATOM 265 N PHE A 17 -4.309 1.702 2.655 1.00 0.00 N ATOM 266 CA PHE A 17 -4.586 2.977 1.927 1.00 0.00 C ATOM 267 C PHE A 17 -4.177 2.833 0.461 1.00 0.00 C ATOM 268 O PHE A 17 -4.794 3.397 -0.423 1.00 0.00 O ATOM 269 CB PHE A 17 -3.726 4.035 2.623 1.00 0.00 C ATOM 270 CG PHE A 17 -4.294 5.407 2.349 1.00 0.00 C ATOM 271 CD1 PHE A 17 -4.049 6.034 1.121 1.00 0.00 C ATOM 272 CD2 PHE A 17 -5.064 6.053 3.324 1.00 0.00 C ATOM 273 CE1 PHE A 17 -4.575 7.307 0.869 1.00 0.00 C ATOM 274 CE2 PHE A 17 -5.590 7.326 3.070 1.00 0.00 C ATOM 275 CZ PHE A 17 -5.346 7.952 1.843 1.00 0.00 C ATOM 0 H PHE A 17 -3.639 1.777 3.420 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.643 3.244 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.700 3.849 3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.698 3.977 2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.455 5.536 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.252 5.570 4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.386 7.791 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.184 7.824 3.822 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.753 8.933 1.647 1.00 0.00 H new ATOM 285 N LEU A 18 -3.132 2.088 0.198 1.00 0.00 N ATOM 286 CA LEU A 18 -2.664 1.907 -1.210 1.00 0.00 C ATOM 287 C LEU A 18 -3.573 0.927 -1.952 1.00 0.00 C ATOM 288 O LEU A 18 -3.887 1.114 -3.111 1.00 0.00 O ATOM 289 CB LEU A 18 -1.242 1.318 -1.115 1.00 0.00 C ATOM 290 CG LEU A 18 -0.359 2.123 -0.145 1.00 0.00 C ATOM 291 CD1 LEU A 18 1.065 1.565 -0.183 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.329 3.599 -0.559 1.00 0.00 C ATOM 0 H LEU A 18 -2.581 1.596 0.901 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.679 2.852 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.298 0.282 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.784 1.310 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.769 2.042 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.696 2.131 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.053 0.517 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.462 1.649 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.299 4.159 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.077 3.686 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.341 4.003 -0.539 1.00 0.00 H new ATOM 304 N PHE A 19 -3.987 -0.125 -1.291 1.00 0.00 N ATOM 305 CA PHE A 19 -4.869 -1.135 -1.955 1.00 0.00 C ATOM 306 C PHE A 19 -6.233 -0.526 -2.281 1.00 0.00 C ATOM 307 O PHE A 19 -6.699 -0.602 -3.401 1.00 0.00 O ATOM 308 CB PHE A 19 -5.021 -2.269 -0.938 1.00 0.00 C ATOM 309 CG PHE A 19 -5.758 -3.422 -1.576 1.00 0.00 C ATOM 310 CD1 PHE A 19 -7.151 -3.379 -1.701 1.00 0.00 C ATOM 311 CD2 PHE A 19 -5.047 -4.534 -2.042 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.834 -4.448 -2.292 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.729 -5.603 -2.634 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.123 -5.560 -2.759 1.00 0.00 C ATOM 0 H PHE A 19 -3.752 -0.329 -0.319 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.446 -1.485 -2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.040 -2.597 -0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.565 -1.916 -0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.699 -2.521 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.972 -4.567 -1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.909 -4.415 -2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.180 -6.461 -2.994 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.650 -6.385 -3.216 1.00 0.00 H new ATOM 324 N CYS A 20 -6.869 0.087 -1.318 1.00 0.00 N ATOM 325 CA CYS A 20 -8.205 0.709 -1.577 1.00 0.00 C ATOM 326 C CYS A 20 -8.060 1.874 -2.560 1.00 0.00 C ATOM 327 O CYS A 20 -8.974 2.196 -3.295 1.00 0.00 O ATOM 328 CB CYS A 20 -8.686 1.213 -0.216 1.00 0.00 C ATOM 329 SG CYS A 20 -10.495 1.213 -0.176 1.00 0.00 S ATOM 0 H CYS A 20 -6.523 0.185 -0.363 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.909 0.003 -2.018 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.294 0.577 0.578 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.308 2.219 -0.035 1.00 0.00 H new ATOM 0 HG CYS A 20 -10.903 1.640 0.982 1.00 0.00 H new ATOM 335 N SER A 21 -6.920 2.513 -2.563 1.00 0.00 N ATOM 336 CA SER A 21 -6.704 3.673 -3.482 1.00 0.00 C ATOM 337 C SER A 21 -6.609 3.222 -4.946 1.00 0.00 C ATOM 338 O SER A 21 -6.707 4.036 -5.846 1.00 0.00 O ATOM 339 CB SER A 21 -5.381 4.296 -3.034 1.00 0.00 C ATOM 340 OG SER A 21 -5.633 5.236 -1.997 1.00 0.00 O ATOM 0 H SER A 21 -6.125 2.282 -1.967 1.00 0.00 H new ATOM 0 HA SER A 21 -7.535 4.376 -3.433 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.702 3.520 -2.681 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.893 4.788 -3.876 1.00 0.00 H new ATOM 0 HG SER A 21 -5.150 4.967 -1.187 1.00 0.00 H new ATOM 346 N GLU A 22 -6.403 1.949 -5.202 1.00 0.00 N ATOM 347 CA GLU A 22 -6.287 1.490 -6.625 1.00 0.00 C ATOM 348 C GLU A 22 -7.273 0.354 -6.950 1.00 0.00 C ATOM 349 O GLU A 22 -7.646 0.172 -8.094 1.00 0.00 O ATOM 350 CB GLU A 22 -4.835 1.012 -6.772 1.00 0.00 C ATOM 351 CG GLU A 22 -4.576 -0.195 -5.862 1.00 0.00 C ATOM 352 CD GLU A 22 -3.100 -0.587 -5.942 1.00 0.00 C ATOM 353 OE1 GLU A 22 -2.286 0.126 -5.378 1.00 0.00 O ATOM 354 OE2 GLU A 22 -2.808 -1.594 -6.565 1.00 0.00 O ATOM 0 H GLU A 22 -6.311 1.217 -4.497 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.533 2.294 -7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.637 0.743 -7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.151 1.822 -6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.844 0.048 -4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.203 -1.034 -6.165 1.00 0.00 H new ATOM 361 N TYR A 23 -7.688 -0.414 -5.970 1.00 0.00 N ATOM 362 CA TYR A 23 -8.638 -1.536 -6.255 1.00 0.00 C ATOM 363 C TYR A 23 -10.061 -1.006 -6.456 1.00 0.00 C ATOM 364 O TYR A 23 -10.795 -1.492 -7.292 1.00 0.00 O ATOM 365 CB TYR A 23 -8.579 -2.448 -5.028 1.00 0.00 C ATOM 366 CG TYR A 23 -7.518 -3.504 -5.236 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.168 -3.193 -5.036 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.886 -4.796 -5.631 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.187 -4.172 -5.230 1.00 0.00 C ATOM 370 CE2 TYR A 23 -6.905 -5.776 -5.826 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.555 -5.464 -5.625 1.00 0.00 C ATOM 372 OH TYR A 23 -4.588 -6.430 -5.816 1.00 0.00 O ATOM 0 H TYR A 23 -7.413 -0.314 -4.993 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.366 -2.065 -7.168 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.354 -1.862 -4.137 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.548 -2.919 -4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.883 -2.197 -4.732 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.927 -5.037 -5.785 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.146 -3.931 -5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.190 -6.772 -6.131 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.014 -7.270 -6.087 1.00 0.00 H new ATOM 382 N ARG A 24 -10.459 -0.019 -5.689 1.00 0.00 N ATOM 383 CA ARG A 24 -11.839 0.543 -5.821 1.00 0.00 C ATOM 384 C ARG A 24 -12.214 0.841 -7.284 1.00 0.00 C ATOM 385 O ARG A 24 -13.235 0.372 -7.732 1.00 0.00 O ATOM 386 CB ARG A 24 -11.845 1.829 -5.003 1.00 0.00 C ATOM 387 CG ARG A 24 -11.750 1.489 -3.514 1.00 0.00 C ATOM 388 CD ARG A 24 -11.760 2.780 -2.686 1.00 0.00 C ATOM 389 NE ARG A 24 -12.812 2.570 -1.653 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.600 3.554 -1.314 1.00 0.00 C ATOM 391 NH1 ARG A 24 -14.493 3.995 -2.157 1.00 0.00 N ATOM 392 NH2 ARG A 24 -13.495 4.095 -0.131 1.00 0.00 N ATOM 0 H ARG A 24 -9.883 0.423 -4.973 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.575 -0.178 -5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.008 2.463 -5.296 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.756 2.394 -5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.586 0.853 -3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.837 0.927 -3.317 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.788 2.962 -2.228 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.986 3.646 -3.308 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.917 1.657 -1.210 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.575 3.571 -3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.109 4.764 -1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.798 3.749 0.528 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.110 4.864 0.135 1.00 0.00 H new ATOM 406 N PRO A 25 -11.392 1.602 -7.993 1.00 0.00 N ATOM 407 CA PRO A 25 -11.711 1.930 -9.415 1.00 0.00 C ATOM 408 C PRO A 25 -11.820 0.650 -10.239 1.00 0.00 C ATOM 409 O PRO A 25 -12.557 0.587 -11.206 1.00 0.00 O ATOM 410 CB PRO A 25 -10.544 2.817 -9.854 1.00 0.00 C ATOM 411 CG PRO A 25 -9.442 2.472 -8.914 1.00 0.00 C ATOM 412 CD PRO A 25 -10.108 2.201 -7.590 1.00 0.00 C ATOM 0 HA PRO A 25 -12.667 2.436 -9.547 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.261 2.618 -10.888 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.803 3.874 -9.792 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.890 1.599 -9.261 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.726 3.290 -8.832 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.520 1.522 -6.972 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.250 3.115 -7.013 1.00 0.00 H new ATOM 420 N LYS A 26 -11.129 -0.383 -9.835 1.00 0.00 N ATOM 421 CA LYS A 26 -11.234 -1.678 -10.563 1.00 0.00 C ATOM 422 C LYS A 26 -12.617 -2.257 -10.287 1.00 0.00 C ATOM 423 O LYS A 26 -13.320 -2.697 -11.176 1.00 0.00 O ATOM 424 CB LYS A 26 -10.163 -2.574 -9.949 1.00 0.00 C ATOM 425 CG LYS A 26 -9.915 -3.777 -10.860 1.00 0.00 C ATOM 426 CD LYS A 26 -10.966 -4.853 -10.584 1.00 0.00 C ATOM 427 CE LYS A 26 -10.409 -6.225 -10.972 1.00 0.00 C ATOM 428 NZ LYS A 26 -10.538 -6.287 -12.454 1.00 0.00 N ATOM 0 H LYS A 26 -10.498 -0.385 -9.034 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.099 -1.580 -11.640 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.239 -2.012 -9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.479 -2.912 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.959 -3.470 -11.905 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.916 -4.177 -10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.241 -4.846 -9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.873 -4.644 -11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.370 -6.331 -10.661 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.969 -7.028 -10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.647 -6.629 -12.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.309 -6.937 -12.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.749 -5.338 -12.824 1.00 0.00 H new ATOM 442 N ILE A 27 -13.003 -2.248 -9.037 1.00 0.00 N ATOM 443 CA ILE A 27 -14.340 -2.782 -8.640 1.00 0.00 C ATOM 444 C ILE A 27 -15.458 -2.047 -9.386 1.00 0.00 C ATOM 445 O ILE A 27 -16.561 -2.538 -9.484 1.00 0.00 O ATOM 446 CB ILE A 27 -14.457 -2.486 -7.130 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.364 -3.231 -6.347 1.00 0.00 C ATOM 448 CG2 ILE A 27 -15.839 -2.912 -6.611 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.512 -4.740 -6.539 1.00 0.00 C ATOM 0 H ILE A 27 -12.441 -1.889 -8.265 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.432 -3.843 -8.873 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.330 -1.413 -6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.380 -2.909 -6.687 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.433 -2.983 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.909 -2.698 -5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.614 -2.360 -7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -15.976 -3.981 -6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.732 -5.256 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.490 -5.059 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.420 -4.983 -7.598 1.00 0.00 H new ATOM 461 N LYS A 28 -15.200 -0.862 -9.873 1.00 0.00 N ATOM 462 CA LYS A 28 -16.285 -0.099 -10.557 1.00 0.00 C ATOM 463 C LYS A 28 -16.449 -0.581 -11.999 1.00 0.00 C ATOM 464 O LYS A 28 -17.518 -0.489 -12.571 1.00 0.00 O ATOM 465 CB LYS A 28 -15.876 1.390 -10.506 1.00 0.00 C ATOM 466 CG LYS A 28 -15.255 1.805 -9.149 1.00 0.00 C ATOM 467 CD LYS A 28 -15.923 1.121 -7.936 1.00 0.00 C ATOM 468 CE LYS A 28 -17.429 1.398 -7.943 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.570 2.771 -7.384 1.00 0.00 N ATOM 0 H LYS A 28 -14.295 -0.393 -9.828 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.247 -0.248 -10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.160 1.591 -11.303 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.752 2.008 -10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.192 1.562 -9.154 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.334 2.886 -9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.742 0.047 -7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.481 1.491 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.837 1.339 -8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.968 0.668 -7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.221 2.751 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.640 3.116 -7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.948 3.406 -8.115 1.00 0.00 H new ATOM 483 N SER A 29 -15.402 -1.100 -12.587 1.00 0.00 N ATOM 484 CA SER A 29 -15.498 -1.597 -13.991 1.00 0.00 C ATOM 485 C SER A 29 -15.994 -3.053 -14.031 1.00 0.00 C ATOM 486 O SER A 29 -16.182 -3.612 -15.096 1.00 0.00 O ATOM 487 CB SER A 29 -14.074 -1.507 -14.537 1.00 0.00 C ATOM 488 OG SER A 29 -14.114 -1.505 -15.958 1.00 0.00 O ATOM 0 H SER A 29 -14.484 -1.201 -12.154 1.00 0.00 H new ATOM 0 HA SER A 29 -16.208 -1.013 -14.578 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.590 -0.600 -14.174 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.482 -2.349 -14.180 1.00 0.00 H new ATOM 0 HG SER A 29 -14.806 -2.126 -16.267 1.00 0.00 H new ATOM 494 N GLU A 30 -16.199 -3.678 -12.890 1.00 0.00 N ATOM 495 CA GLU A 30 -16.670 -5.099 -12.891 1.00 0.00 C ATOM 496 C GLU A 30 -17.849 -5.317 -11.925 1.00 0.00 C ATOM 497 O GLU A 30 -18.377 -6.411 -11.834 1.00 0.00 O ATOM 498 CB GLU A 30 -15.457 -5.910 -12.436 1.00 0.00 C ATOM 499 CG GLU A 30 -14.435 -5.980 -13.572 1.00 0.00 C ATOM 500 CD GLU A 30 -13.635 -7.278 -13.460 1.00 0.00 C ATOM 501 OE1 GLU A 30 -12.957 -7.450 -12.461 1.00 0.00 O ATOM 502 OE2 GLU A 30 -13.716 -8.081 -14.377 1.00 0.00 O ATOM 0 H GLU A 30 -16.061 -3.266 -11.967 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.034 -5.394 -13.875 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.008 -5.450 -11.556 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.765 -6.915 -12.148 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.943 -5.936 -14.535 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.764 -5.122 -13.525 1.00 0.00 H new ATOM 509 N HIS A 31 -18.272 -4.301 -11.206 1.00 0.00 N ATOM 510 CA HIS A 31 -19.419 -4.479 -10.257 1.00 0.00 C ATOM 511 C HIS A 31 -20.505 -3.425 -10.548 1.00 0.00 C ATOM 512 O HIS A 31 -20.415 -2.310 -10.075 1.00 0.00 O ATOM 513 CB HIS A 31 -18.827 -4.279 -8.853 1.00 0.00 C ATOM 514 CG HIS A 31 -17.706 -5.253 -8.616 1.00 0.00 C ATOM 515 ND1 HIS A 31 -16.458 -5.096 -9.191 1.00 0.00 N ATOM 516 CD2 HIS A 31 -17.626 -6.388 -7.847 1.00 0.00 C ATOM 517 CE1 HIS A 31 -15.685 -6.107 -8.761 1.00 0.00 C ATOM 518 NE2 HIS A 31 -16.347 -6.926 -7.939 1.00 0.00 N ATOM 0 H HIS A 31 -17.875 -3.362 -11.235 1.00 0.00 H new ATOM 0 HA HIS A 31 -19.887 -5.459 -10.353 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.459 -3.258 -8.748 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.603 -4.417 -8.100 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.176 -4.349 -9.826 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.434 -6.800 -7.260 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.652 -6.242 -9.046 1.00 0.00 H new ATOM 526 N PRO A 32 -21.498 -3.805 -11.332 1.00 0.00 N ATOM 527 CA PRO A 32 -22.585 -2.857 -11.684 1.00 0.00 C ATOM 528 C PRO A 32 -23.600 -2.705 -10.539 1.00 0.00 C ATOM 529 O PRO A 32 -23.612 -1.705 -9.848 1.00 0.00 O ATOM 530 CB PRO A 32 -23.227 -3.489 -12.916 1.00 0.00 C ATOM 531 CG PRO A 32 -22.914 -4.953 -12.838 1.00 0.00 C ATOM 532 CD PRO A 32 -21.700 -5.125 -11.955 1.00 0.00 C ATOM 0 HA PRO A 32 -22.216 -1.848 -11.869 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -24.304 -3.320 -12.925 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.828 -3.053 -13.832 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.762 -5.503 -12.431 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.722 -5.355 -13.833 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.864 -5.897 -11.203 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.828 -5.426 -12.536 1.00 0.00 H new ATOM 540 N GLY A 33 -24.458 -3.680 -10.338 1.00 0.00 N ATOM 541 CA GLY A 33 -25.483 -3.588 -9.243 1.00 0.00 C ATOM 542 C GLY A 33 -24.811 -3.233 -7.913 1.00 0.00 C ATOM 543 O GLY A 33 -25.406 -2.617 -7.051 1.00 0.00 O ATOM 0 H GLY A 33 -24.493 -4.539 -10.887 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -26.227 -2.833 -9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -26.011 -4.537 -9.149 1.00 0.00 H new ATOM 547 N LEU A 34 -23.572 -3.619 -7.753 1.00 0.00 N ATOM 548 CA LEU A 34 -22.816 -3.321 -6.489 1.00 0.00 C ATOM 549 C LEU A 34 -22.991 -1.852 -6.061 1.00 0.00 C ATOM 550 O LEU A 34 -22.312 -0.966 -6.541 1.00 0.00 O ATOM 551 CB LEU A 34 -21.363 -3.614 -6.859 1.00 0.00 C ATOM 552 CG LEU A 34 -20.431 -3.319 -5.684 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.285 -4.329 -5.652 1.00 0.00 C ATOM 554 CD2 LEU A 34 -19.853 -1.919 -5.838 1.00 0.00 C ATOM 0 H LEU A 34 -23.040 -4.136 -8.453 1.00 0.00 H new ATOM 0 HA LEU A 34 -23.167 -3.913 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -21.262 -4.658 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -21.073 -3.010 -7.719 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.999 -3.391 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.628 -4.108 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.690 -5.335 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.718 -4.266 -6.581 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.188 -1.706 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -19.293 -1.857 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.663 -1.190 -5.852 1.00 0.00 H new ATOM 566 N SER A 35 -23.919 -1.602 -5.172 1.00 0.00 N ATOM 567 CA SER A 35 -24.161 -0.203 -4.703 1.00 0.00 C ATOM 568 C SER A 35 -22.946 0.300 -3.917 1.00 0.00 C ATOM 569 O SER A 35 -21.986 -0.420 -3.724 1.00 0.00 O ATOM 570 CB SER A 35 -25.387 -0.288 -3.794 1.00 0.00 C ATOM 571 OG SER A 35 -26.475 -0.842 -4.524 1.00 0.00 O ATOM 0 H SER A 35 -24.521 -2.308 -4.749 1.00 0.00 H new ATOM 0 HA SER A 35 -24.320 0.488 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 35 -25.166 -0.905 -2.923 1.00 0.00 H new ATOM 0 HB3 SER A 35 -25.649 0.703 -3.424 1.00 0.00 H new ATOM 0 HG SER A 35 -27.263 -0.900 -3.944 1.00 0.00 H new ATOM 577 N ILE A 36 -22.982 1.529 -3.462 1.00 0.00 N ATOM 578 CA ILE A 36 -21.825 2.081 -2.683 1.00 0.00 C ATOM 579 C ILE A 36 -21.568 1.224 -1.438 1.00 0.00 C ATOM 580 O ILE A 36 -20.502 0.666 -1.270 1.00 0.00 O ATOM 581 CB ILE A 36 -22.246 3.511 -2.284 1.00 0.00 C ATOM 582 CG1 ILE A 36 -22.143 4.441 -3.504 1.00 0.00 C ATOM 583 CG2 ILE A 36 -21.348 4.041 -1.149 1.00 0.00 C ATOM 584 CD1 ILE A 36 -20.699 4.489 -4.021 1.00 0.00 C ATOM 0 H ILE A 36 -23.761 2.174 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 36 -20.902 2.081 -3.263 1.00 0.00 H new ATOM 0 HB ILE A 36 -23.277 3.486 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -22.807 4.090 -4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -22.472 5.444 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -21.659 5.051 -0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -21.438 3.390 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -20.311 4.058 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -20.644 5.152 -4.885 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -20.043 4.862 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -20.383 3.487 -4.312 1.00 0.00 H new ATOM 596 N GLY A 37 -22.539 1.148 -0.558 1.00 0.00 N ATOM 597 CA GLY A 37 -22.377 0.358 0.704 1.00 0.00 C ATOM 598 C GLY A 37 -21.783 -1.018 0.405 1.00 0.00 C ATOM 599 O GLY A 37 -20.947 -1.509 1.132 1.00 0.00 O ATOM 0 H GLY A 37 -23.445 1.604 -0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.730 0.897 1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -23.344 0.244 1.195 1.00 0.00 H new ATOM 603 N ASP A 38 -22.184 -1.621 -0.680 1.00 0.00 N ATOM 604 CA ASP A 38 -21.623 -2.954 -1.038 1.00 0.00 C ATOM 605 C ASP A 38 -20.148 -2.816 -1.426 1.00 0.00 C ATOM 606 O ASP A 38 -19.355 -3.683 -1.160 1.00 0.00 O ATOM 607 CB ASP A 38 -22.449 -3.436 -2.233 1.00 0.00 C ATOM 608 CG ASP A 38 -23.855 -3.815 -1.762 1.00 0.00 C ATOM 609 OD1 ASP A 38 -24.585 -2.924 -1.360 1.00 0.00 O ATOM 610 OD2 ASP A 38 -24.178 -4.990 -1.812 1.00 0.00 O ATOM 0 H ASP A 38 -22.874 -1.249 -1.333 1.00 0.00 H new ATOM 0 HA ASP A 38 -21.672 -3.656 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.506 -2.653 -2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.966 -4.295 -2.700 1.00 0.00 H new ATOM 615 N THR A 39 -19.777 -1.717 -2.031 1.00 0.00 N ATOM 616 CA THR A 39 -18.344 -1.518 -2.431 1.00 0.00 C ATOM 617 C THR A 39 -17.451 -1.380 -1.198 1.00 0.00 C ATOM 618 O THR A 39 -16.337 -1.869 -1.170 1.00 0.00 O ATOM 619 CB THR A 39 -18.295 -0.217 -3.243 1.00 0.00 C ATOM 620 OG1 THR A 39 -19.553 0.045 -3.844 1.00 0.00 O ATOM 621 CG2 THR A 39 -17.223 -0.340 -4.327 1.00 0.00 C ATOM 0 H THR A 39 -20.402 -0.946 -2.267 1.00 0.00 H new ATOM 0 HA THR A 39 -17.985 -2.371 -3.007 1.00 0.00 H new ATOM 0 HB THR A 39 -18.053 0.608 -2.573 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.464 0.785 -4.481 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.184 0.582 -4.907 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.253 -0.517 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 39 -17.466 -1.173 -4.986 1.00 0.00 H new ATOM 629 N ALA A 40 -17.929 -0.706 -0.187 1.00 0.00 N ATOM 630 CA ALA A 40 -17.108 -0.513 1.048 1.00 0.00 C ATOM 631 C ALA A 40 -16.947 -1.840 1.784 1.00 0.00 C ATOM 632 O ALA A 40 -15.899 -2.134 2.329 1.00 0.00 O ATOM 633 CB ALA A 40 -17.890 0.485 1.903 1.00 0.00 C ATOM 0 H ALA A 40 -18.855 -0.279 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 40 -16.106 -0.150 0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -17.347 0.676 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -18.010 1.419 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.872 0.073 2.137 1.00 0.00 H new ATOM 639 N LYS A 41 -17.981 -2.637 1.808 1.00 0.00 N ATOM 640 CA LYS A 41 -17.896 -3.948 2.516 1.00 0.00 C ATOM 641 C LYS A 41 -17.405 -5.058 1.572 1.00 0.00 C ATOM 642 O LYS A 41 -17.020 -6.121 2.021 1.00 0.00 O ATOM 643 CB LYS A 41 -19.310 -4.237 3.045 1.00 0.00 C ATOM 644 CG LYS A 41 -20.294 -4.424 1.889 1.00 0.00 C ATOM 645 CD LYS A 41 -21.727 -4.448 2.433 1.00 0.00 C ATOM 646 CE LYS A 41 -22.074 -3.097 3.084 1.00 0.00 C ATOM 647 NZ LYS A 41 -22.394 -3.420 4.504 1.00 0.00 N ATOM 0 H LYS A 41 -18.880 -2.438 1.369 1.00 0.00 H new ATOM 0 HA LYS A 41 -17.175 -3.914 3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -19.295 -5.134 3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -19.640 -3.416 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -20.181 -3.615 1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -20.079 -5.353 1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.427 -4.660 1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.832 -5.249 3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -21.238 -2.401 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.922 -2.626 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.641 -2.546 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -23.198 -4.079 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.567 -3.861 4.955 1.00 0.00 H new ATOM 661 N LYS A 42 -17.394 -4.825 0.275 1.00 0.00 N ATOM 662 CA LYS A 42 -16.901 -5.876 -0.674 1.00 0.00 C ATOM 663 C LYS A 42 -15.379 -5.761 -0.864 1.00 0.00 C ATOM 664 O LYS A 42 -14.759 -6.626 -1.451 1.00 0.00 O ATOM 665 CB LYS A 42 -17.624 -5.584 -1.998 1.00 0.00 C ATOM 666 CG LYS A 42 -17.290 -6.654 -3.050 1.00 0.00 C ATOM 667 CD LYS A 42 -17.638 -8.052 -2.515 1.00 0.00 C ATOM 668 CE LYS A 42 -18.297 -8.881 -3.619 1.00 0.00 C ATOM 669 NZ LYS A 42 -17.664 -10.226 -3.523 1.00 0.00 N ATOM 0 H LYS A 42 -17.704 -3.957 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.099 -6.883 -0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.701 -5.555 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.333 -4.601 -2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.846 -6.459 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.231 -6.607 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.736 -8.551 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.310 -7.968 -1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.376 -8.942 -3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.130 -8.436 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.066 -10.852 -4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.638 -10.138 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.845 -10.629 -2.581 1.00 0.00 H new ATOM 683 N LEU A 43 -14.776 -4.708 -0.363 1.00 0.00 N ATOM 684 CA LEU A 43 -13.299 -4.548 -0.503 1.00 0.00 C ATOM 685 C LEU A 43 -12.612 -5.083 0.753 1.00 0.00 C ATOM 686 O LEU A 43 -11.523 -5.621 0.697 1.00 0.00 O ATOM 687 CB LEU A 43 -13.076 -3.042 -0.644 1.00 0.00 C ATOM 688 CG LEU A 43 -13.376 -2.613 -2.081 1.00 0.00 C ATOM 689 CD1 LEU A 43 -13.613 -1.103 -2.121 1.00 0.00 C ATOM 690 CD2 LEU A 43 -12.185 -2.965 -2.977 1.00 0.00 C ATOM 0 H LEU A 43 -15.247 -3.954 0.137 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.891 -5.093 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.720 -2.502 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.047 -2.790 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.266 -3.132 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.827 -0.795 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.459 -0.850 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.722 -0.585 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.398 -2.660 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.296 -2.445 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.013 -4.041 -2.947 1.00 0.00 H new ATOM 702 N GLY A 44 -13.258 -4.948 1.884 1.00 0.00 N ATOM 703 CA GLY A 44 -12.667 -5.459 3.153 1.00 0.00 C ATOM 704 C GLY A 44 -12.679 -6.986 3.116 1.00 0.00 C ATOM 705 O GLY A 44 -11.781 -7.638 3.613 1.00 0.00 O ATOM 0 H GLY A 44 -14.171 -4.504 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.648 -5.091 3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.237 -5.097 4.009 1.00 0.00 H new ATOM 709 N GLU A 45 -13.698 -7.559 2.524 1.00 0.00 N ATOM 710 CA GLU A 45 -13.790 -9.052 2.439 1.00 0.00 C ATOM 711 C GLU A 45 -12.550 -9.624 1.743 1.00 0.00 C ATOM 712 O GLU A 45 -12.034 -10.657 2.128 1.00 0.00 O ATOM 713 CB GLU A 45 -15.046 -9.332 1.606 1.00 0.00 C ATOM 714 CG GLU A 45 -16.265 -9.404 2.528 1.00 0.00 C ATOM 715 CD GLU A 45 -17.501 -9.782 1.710 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.588 -10.929 1.302 1.00 0.00 O ATOM 717 OE2 GLU A 45 -18.338 -8.920 1.505 1.00 0.00 O ATOM 0 H GLU A 45 -14.474 -7.056 2.094 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.844 -9.514 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.185 -8.547 0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.933 -10.270 1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.097 -10.140 3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.420 -8.443 3.019 1.00 0.00 H new ATOM 724 N MET A 46 -12.072 -8.959 0.722 1.00 0.00 N ATOM 725 CA MET A 46 -10.866 -9.456 -0.005 1.00 0.00 C ATOM 726 C MET A 46 -9.596 -9.138 0.790 1.00 0.00 C ATOM 727 O MET A 46 -8.752 -9.992 0.991 1.00 0.00 O ATOM 728 CB MET A 46 -10.862 -8.705 -1.338 1.00 0.00 C ATOM 729 CG MET A 46 -12.116 -9.067 -2.134 1.00 0.00 C ATOM 730 SD MET A 46 -12.083 -8.218 -3.732 1.00 0.00 S ATOM 731 CE MET A 46 -13.115 -9.396 -4.637 1.00 0.00 C ATOM 0 H MET A 46 -12.467 -8.091 0.360 1.00 0.00 H new ATOM 0 HA MET A 46 -10.891 -10.537 -0.146 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.829 -7.630 -1.161 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.970 -8.962 -1.909 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.166 -10.145 -2.284 1.00 0.00 H new ATOM 0 HG3 MET A 46 -13.008 -8.781 -1.577 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.229 -9.062 -5.668 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.643 -10.378 -4.624 1.00 0.00 H new ATOM 0 HE3 MET A 46 -14.096 -9.458 -4.165 1.00 0.00 H new ATOM 741 N TRP A 47 -9.453 -7.914 1.237 1.00 0.00 N ATOM 742 CA TRP A 47 -8.232 -7.534 2.016 1.00 0.00 C ATOM 743 C TRP A 47 -8.092 -8.412 3.264 1.00 0.00 C ATOM 744 O TRP A 47 -7.003 -8.607 3.772 1.00 0.00 O ATOM 745 CB TRP A 47 -8.439 -6.071 2.414 1.00 0.00 C ATOM 746 CG TRP A 47 -7.201 -5.561 3.081 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.118 -5.181 4.377 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.872 -5.373 2.514 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.823 -4.771 4.640 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.017 -4.871 3.524 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.331 -5.588 1.233 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.674 -4.591 3.272 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.979 -5.307 0.977 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.152 -4.810 1.994 1.00 0.00 C ATOM 0 H TRP A 47 -10.128 -7.162 1.097 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.323 -7.671 1.430 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.665 -5.471 1.533 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.292 -5.982 3.087 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.930 -5.195 5.089 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.503 -4.436 5.548 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.959 -5.971 0.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.042 -4.208 4.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.574 -5.475 -0.010 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.113 -4.597 1.790 1.00 0.00 H new ATOM 765 N SER A 48 -9.182 -8.943 3.761 1.00 0.00 N ATOM 766 CA SER A 48 -9.110 -9.809 4.976 1.00 0.00 C ATOM 767 C SER A 48 -8.801 -11.252 4.574 1.00 0.00 C ATOM 768 O SER A 48 -8.072 -11.952 5.251 1.00 0.00 O ATOM 769 CB SER A 48 -10.496 -9.715 5.612 1.00 0.00 C ATOM 770 OG SER A 48 -11.477 -10.108 4.662 1.00 0.00 O ATOM 0 H SER A 48 -10.118 -8.813 3.377 1.00 0.00 H new ATOM 0 HA SER A 48 -8.325 -9.494 5.664 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.549 -10.356 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.686 -8.696 5.948 1.00 0.00 H new ATOM 0 HG SER A 48 -11.858 -9.312 4.236 1.00 0.00 H new ATOM 776 N GLU A 49 -9.349 -11.699 3.471 1.00 0.00 N ATOM 777 CA GLU A 49 -9.089 -13.099 3.015 1.00 0.00 C ATOM 778 C GLU A 49 -7.605 -13.274 2.685 1.00 0.00 C ATOM 779 O GLU A 49 -7.044 -14.341 2.853 1.00 0.00 O ATOM 780 CB GLU A 49 -9.942 -13.279 1.756 1.00 0.00 C ATOM 781 CG GLU A 49 -11.404 -13.487 2.155 1.00 0.00 C ATOM 782 CD GLU A 49 -11.604 -14.928 2.629 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.456 -15.825 1.815 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.901 -15.110 3.799 1.00 0.00 O ATOM 0 H GLU A 49 -9.965 -11.155 2.867 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.338 -13.834 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.850 -12.403 1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.586 -14.134 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.678 -12.791 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.057 -13.278 1.307 1.00 0.00 H new ATOM 791 N GLN A 50 -6.968 -12.231 2.217 1.00 0.00 N ATOM 792 CA GLN A 50 -5.515 -12.325 1.874 1.00 0.00 C ATOM 793 C GLN A 50 -4.699 -12.652 3.125 1.00 0.00 C ATOM 794 O GLN A 50 -5.048 -12.265 4.225 1.00 0.00 O ATOM 795 CB GLN A 50 -5.136 -10.944 1.335 1.00 0.00 C ATOM 796 CG GLN A 50 -5.808 -10.721 -0.021 1.00 0.00 C ATOM 797 CD GLN A 50 -5.131 -11.600 -1.075 1.00 0.00 C ATOM 798 OE1 GLN A 50 -3.920 -11.688 -1.123 1.00 0.00 O ATOM 799 NE2 GLN A 50 -5.867 -12.259 -1.928 1.00 0.00 N ATOM 0 H GLN A 50 -7.391 -11.317 2.057 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.316 -13.112 1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.446 -10.170 2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.054 -10.867 1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.869 -10.962 0.043 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.736 -9.671 -0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.884 -12.185 -1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.426 -12.848 -2.635 1.00 0.00 H new ATOM 808 N SER A 51 -3.611 -13.358 2.961 1.00 0.00 N ATOM 809 CA SER A 51 -2.756 -13.714 4.131 1.00 0.00 C ATOM 810 C SER A 51 -1.537 -12.786 4.179 1.00 0.00 C ATOM 811 O SER A 51 -1.586 -11.668 3.700 1.00 0.00 O ATOM 812 CB SER A 51 -2.332 -15.163 3.882 1.00 0.00 C ATOM 813 OG SER A 51 -3.484 -15.946 3.597 1.00 0.00 O ATOM 0 H SER A 51 -3.277 -13.705 2.062 1.00 0.00 H new ATOM 0 HA SER A 51 -3.275 -13.607 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.630 -15.211 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.816 -15.559 4.757 1.00 0.00 H new ATOM 0 HG SER A 51 -3.216 -16.875 3.435 1.00 0.00 H new ATOM 819 N ALA A 52 -0.446 -13.237 4.746 1.00 0.00 N ATOM 820 CA ALA A 52 0.775 -12.379 4.817 1.00 0.00 C ATOM 821 C ALA A 52 1.553 -12.458 3.497 1.00 0.00 C ATOM 822 O ALA A 52 2.722 -12.797 3.476 1.00 0.00 O ATOM 823 CB ALA A 52 1.600 -12.958 5.966 1.00 0.00 C ATOM 0 H ALA A 52 -0.349 -14.163 5.163 1.00 0.00 H new ATOM 0 HA ALA A 52 0.535 -11.328 4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.517 -12.380 6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.022 -12.911 6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.850 -13.996 5.747 1.00 0.00 H new ATOM 829 N LYS A 53 0.912 -12.146 2.398 1.00 0.00 N ATOM 830 CA LYS A 53 1.605 -12.200 1.076 1.00 0.00 C ATOM 831 C LYS A 53 1.335 -10.917 0.287 1.00 0.00 C ATOM 832 O LYS A 53 2.241 -10.291 -0.227 1.00 0.00 O ATOM 833 CB LYS A 53 0.997 -13.407 0.361 1.00 0.00 C ATOM 834 CG LYS A 53 2.085 -14.134 -0.433 1.00 0.00 C ATOM 835 CD LYS A 53 2.876 -15.049 0.503 1.00 0.00 C ATOM 836 CE LYS A 53 4.012 -15.717 -0.275 1.00 0.00 C ATOM 837 NZ LYS A 53 4.504 -16.802 0.619 1.00 0.00 N ATOM 0 H LYS A 53 -0.065 -11.855 2.361 1.00 0.00 H new ATOM 0 HA LYS A 53 2.687 -12.289 1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.548 -14.085 1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.200 -13.083 -0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.635 -14.719 -1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.753 -13.411 -0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.281 -14.473 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.218 -15.807 0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.658 -16.118 -1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.805 -15.005 -0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.285 -17.307 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.841 -16.390 1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.730 -17.468 0.815 1.00 0.00 H new ATOM 851 N ASP A 54 0.089 -10.524 0.191 1.00 0.00 N ATOM 852 CA ASP A 54 -0.256 -9.280 -0.565 1.00 0.00 C ATOM 853 C ASP A 54 0.304 -8.051 0.146 1.00 0.00 C ATOM 854 O ASP A 54 0.720 -7.104 -0.489 1.00 0.00 O ATOM 855 CB ASP A 54 -1.786 -9.233 -0.590 1.00 0.00 C ATOM 856 CG ASP A 54 -2.255 -8.529 -1.864 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.186 -9.144 -2.916 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.674 -7.388 -1.768 1.00 0.00 O ATOM 0 H ASP A 54 -0.706 -11.012 0.604 1.00 0.00 H new ATOM 0 HA ASP A 54 0.167 -9.285 -1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.192 -10.244 -0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.158 -8.705 0.288 1.00 0.00 H new ATOM 863 N LYS A 55 0.315 -8.056 1.454 1.00 0.00 N ATOM 864 CA LYS A 55 0.846 -6.874 2.200 1.00 0.00 C ATOM 865 C LYS A 55 2.368 -6.785 2.068 1.00 0.00 C ATOM 866 O LYS A 55 2.914 -5.713 1.980 1.00 0.00 O ATOM 867 CB LYS A 55 0.453 -7.104 3.661 1.00 0.00 C ATOM 868 CG LYS A 55 0.431 -5.765 4.399 1.00 0.00 C ATOM 869 CD LYS A 55 -0.466 -5.877 5.634 1.00 0.00 C ATOM 870 CE LYS A 55 -0.144 -4.738 6.603 1.00 0.00 C ATOM 871 NZ LYS A 55 -0.332 -5.323 7.960 1.00 0.00 N ATOM 0 H LYS A 55 -0.019 -8.824 2.037 1.00 0.00 H new ATOM 0 HA LYS A 55 0.441 -5.940 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.527 -7.577 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.161 -7.782 4.137 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.442 -5.484 4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.062 -4.980 3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.515 -5.833 5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.312 -6.839 6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.876 -4.379 6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.806 -3.886 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.129 -4.601 8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.314 -5.650 8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.316 -6.127 8.084 1.00 0.00 H new ATOM 885 N GLN A 56 3.056 -7.902 2.077 1.00 0.00 N ATOM 886 CA GLN A 56 4.560 -7.888 1.981 1.00 0.00 C ATOM 887 C GLN A 56 5.083 -6.894 0.914 1.00 0.00 C ATOM 888 O GLN A 56 5.867 -6.023 1.235 1.00 0.00 O ATOM 889 CB GLN A 56 4.944 -9.323 1.608 1.00 0.00 C ATOM 890 CG GLN A 56 5.343 -10.095 2.869 1.00 0.00 C ATOM 891 CD GLN A 56 6.745 -9.669 3.308 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.730 -10.194 2.827 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.877 -8.733 4.207 1.00 0.00 N ATOM 0 H GLN A 56 2.642 -8.831 2.147 1.00 0.00 H new ATOM 0 HA GLN A 56 5.003 -7.558 2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.106 -9.818 1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.771 -9.316 0.898 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.627 -9.903 3.668 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.322 -11.167 2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.050 -8.293 4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.807 -8.441 4.507 1.00 0.00 H new ATOM 902 N PRO A 57 4.653 -7.054 -0.319 1.00 0.00 N ATOM 903 CA PRO A 57 5.122 -6.142 -1.399 1.00 0.00 C ATOM 904 C PRO A 57 4.415 -4.778 -1.345 1.00 0.00 C ATOM 905 O PRO A 57 4.997 -3.759 -1.662 1.00 0.00 O ATOM 906 CB PRO A 57 4.733 -6.875 -2.677 1.00 0.00 C ATOM 907 CG PRO A 57 3.577 -7.739 -2.291 1.00 0.00 C ATOM 908 CD PRO A 57 3.723 -8.072 -0.830 1.00 0.00 C ATOM 0 HA PRO A 57 6.188 -5.929 -1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.456 -6.175 -3.465 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.562 -7.472 -3.058 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.635 -7.222 -2.473 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.562 -8.649 -2.891 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.764 -8.030 -0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.117 -9.078 -0.688 1.00 0.00 H new ATOM 916 N TYR A 58 3.156 -4.761 -0.994 1.00 0.00 N ATOM 917 CA TYR A 58 2.389 -3.470 -0.971 1.00 0.00 C ATOM 918 C TYR A 58 2.598 -2.681 0.337 1.00 0.00 C ATOM 919 O TYR A 58 2.218 -1.527 0.429 1.00 0.00 O ATOM 920 CB TYR A 58 0.922 -3.899 -1.114 1.00 0.00 C ATOM 921 CG TYR A 58 0.459 -3.680 -2.536 1.00 0.00 C ATOM 922 CD1 TYR A 58 0.063 -2.406 -2.957 1.00 0.00 C ATOM 923 CD2 TYR A 58 0.429 -4.755 -3.433 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.365 -2.206 -4.275 1.00 0.00 C ATOM 925 CE2 TYR A 58 0.001 -4.554 -4.751 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.395 -3.280 -5.173 1.00 0.00 C ATOM 927 OH TYR A 58 -0.815 -3.082 -6.472 1.00 0.00 O ATOM 0 H TYR A 58 2.620 -5.585 -0.721 1.00 0.00 H new ATOM 0 HA TYR A 58 2.720 -2.798 -1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.813 -4.950 -0.844 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.298 -3.327 -0.427 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.087 -1.577 -2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.736 -5.738 -3.108 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.672 -1.223 -4.599 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.023 -5.383 -5.443 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.776 -2.888 -6.479 1.00 0.00 H new ATOM 937 N GLU A 59 3.177 -3.284 1.346 1.00 0.00 N ATOM 938 CA GLU A 59 3.380 -2.553 2.641 1.00 0.00 C ATOM 939 C GLU A 59 4.644 -1.681 2.592 1.00 0.00 C ATOM 940 O GLU A 59 4.736 -0.677 3.275 1.00 0.00 O ATOM 941 CB GLU A 59 3.495 -3.643 3.721 1.00 0.00 C ATOM 942 CG GLU A 59 4.775 -4.467 3.521 1.00 0.00 C ATOM 943 CD GLU A 59 5.860 -3.971 4.478 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.732 -4.214 5.666 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.802 -3.354 4.005 1.00 0.00 O ATOM 0 H GLU A 59 3.517 -4.246 1.332 1.00 0.00 H new ATOM 0 HA GLU A 59 2.554 -1.873 2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.502 -3.184 4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.624 -4.297 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.572 -5.523 3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.118 -4.380 2.490 1.00 0.00 H new ATOM 952 N GLN A 60 5.614 -2.054 1.795 1.00 0.00 N ATOM 953 CA GLN A 60 6.870 -1.242 1.707 1.00 0.00 C ATOM 954 C GLN A 60 6.627 0.051 0.919 1.00 0.00 C ATOM 955 O GLN A 60 7.377 1.003 1.034 1.00 0.00 O ATOM 956 CB GLN A 60 7.889 -2.134 0.987 1.00 0.00 C ATOM 957 CG GLN A 60 7.355 -2.542 -0.387 1.00 0.00 C ATOM 958 CD GLN A 60 8.522 -2.936 -1.293 1.00 0.00 C ATOM 959 OE1 GLN A 60 9.097 -3.994 -1.138 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.900 -2.122 -2.242 1.00 0.00 N ATOM 0 H GLN A 60 5.592 -2.884 1.202 1.00 0.00 H new ATOM 0 HA GLN A 60 7.225 -0.943 2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.834 -1.602 0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.092 -3.022 1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.662 -3.377 -0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.798 -1.717 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.418 -1.233 -2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.677 -2.376 -2.852 1.00 0.00 H new ATOM 969 N LYS A 61 5.584 0.097 0.123 1.00 0.00 N ATOM 970 CA LYS A 61 5.292 1.332 -0.668 1.00 0.00 C ATOM 971 C LYS A 61 4.932 2.484 0.275 1.00 0.00 C ATOM 972 O LYS A 61 5.373 3.604 0.092 1.00 0.00 O ATOM 973 CB LYS A 61 4.103 0.960 -1.566 1.00 0.00 C ATOM 974 CG LYS A 61 3.628 2.184 -2.356 1.00 0.00 C ATOM 975 CD LYS A 61 2.760 1.731 -3.531 1.00 0.00 C ATOM 976 CE LYS A 61 2.698 2.845 -4.579 1.00 0.00 C ATOM 977 NZ LYS A 61 1.763 3.856 -4.011 1.00 0.00 N ATOM 0 H LYS A 61 4.923 -0.668 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 61 6.147 1.664 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.393 0.165 -2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.286 0.573 -0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.060 2.850 -1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.486 2.749 -2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.172 0.824 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.756 1.488 -3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.684 3.275 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.337 2.467 -5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.576 4.593 -4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.869 3.393 -3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.190 4.289 -3.167 1.00 0.00 H new ATOM 991 N ALA A 62 4.147 2.214 1.283 1.00 0.00 N ATOM 992 CA ALA A 62 3.769 3.289 2.247 1.00 0.00 C ATOM 993 C ALA A 62 4.887 3.496 3.275 1.00 0.00 C ATOM 994 O ALA A 62 4.932 4.505 3.954 1.00 0.00 O ATOM 995 CB ALA A 62 2.498 2.782 2.928 1.00 0.00 C ATOM 0 H ALA A 62 3.751 1.295 1.481 1.00 0.00 H new ATOM 0 HA ALA A 62 3.611 4.249 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.156 3.519 3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.722 2.623 2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.708 1.842 3.437 1.00 0.00 H new ATOM 1001 N ALA A 63 5.791 2.551 3.395 1.00 0.00 N ATOM 1002 CA ALA A 63 6.908 2.696 4.379 1.00 0.00 C ATOM 1003 C ALA A 63 7.743 3.935 4.055 1.00 0.00 C ATOM 1004 O ALA A 63 8.208 4.623 4.945 1.00 0.00 O ATOM 1005 CB ALA A 63 7.750 1.428 4.228 1.00 0.00 C ATOM 0 H ALA A 63 5.802 1.687 2.853 1.00 0.00 H new ATOM 0 HA ALA A 63 6.540 2.818 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.590 1.465 4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.136 0.555 4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.125 1.360 3.207 1.00 0.00 H new ATOM 1011 N LYS A 64 7.939 4.233 2.790 1.00 0.00 N ATOM 1012 CA LYS A 64 8.747 5.438 2.424 1.00 0.00 C ATOM 1013 C LYS A 64 7.967 6.713 2.758 1.00 0.00 C ATOM 1014 O LYS A 64 8.390 7.517 3.564 1.00 0.00 O ATOM 1015 CB LYS A 64 8.977 5.328 0.914 1.00 0.00 C ATOM 1016 CG LYS A 64 9.775 4.058 0.612 1.00 0.00 C ATOM 1017 CD LYS A 64 11.243 4.275 0.987 1.00 0.00 C ATOM 1018 CE LYS A 64 12.094 3.150 0.394 1.00 0.00 C ATOM 1019 NZ LYS A 64 13.421 3.283 1.056 1.00 0.00 N ATOM 0 H LYS A 64 7.576 3.697 2.002 1.00 0.00 H new ATOM 0 HA LYS A 64 9.688 5.485 2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.021 5.303 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.516 6.204 0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.366 3.217 1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.692 3.807 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.586 5.240 0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.353 4.296 2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.651 2.174 0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.181 3.249 -0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.062 2.545 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.822 4.219 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.308 3.178 2.084 1.00 0.00 H new ATOM 1033 N LEU A 65 6.832 6.905 2.127 1.00 0.00 N ATOM 1034 CA LEU A 65 6.001 8.134 2.379 1.00 0.00 C ATOM 1035 C LEU A 65 5.833 8.423 3.881 1.00 0.00 C ATOM 1036 O LEU A 65 5.606 9.552 4.274 1.00 0.00 O ATOM 1037 CB LEU A 65 4.641 7.827 1.748 1.00 0.00 C ATOM 1038 CG LEU A 65 4.675 8.188 0.263 1.00 0.00 C ATOM 1039 CD1 LEU A 65 5.238 7.013 -0.537 1.00 0.00 C ATOM 1040 CD2 LEU A 65 3.256 8.497 -0.219 1.00 0.00 C ATOM 0 H LEU A 65 6.440 6.259 1.442 1.00 0.00 H new ATOM 0 HA LEU A 65 6.476 9.019 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.401 6.771 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.858 8.393 2.253 1.00 0.00 H new ATOM 0 HG LEU A 65 5.309 9.063 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.262 7.272 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.249 6.791 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.605 6.137 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.279 8.755 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.623 7.622 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.853 9.335 0.349 1.00 0.00 H new ATOM 1052 N LYS A 66 5.957 7.422 4.719 1.00 0.00 N ATOM 1053 CA LYS A 66 5.820 7.658 6.190 1.00 0.00 C ATOM 1054 C LYS A 66 7.003 8.493 6.686 1.00 0.00 C ATOM 1055 O LYS A 66 6.832 9.470 7.391 1.00 0.00 O ATOM 1056 CB LYS A 66 5.836 6.270 6.831 1.00 0.00 C ATOM 1057 CG LYS A 66 5.613 6.401 8.338 1.00 0.00 C ATOM 1058 CD LYS A 66 4.137 6.696 8.612 1.00 0.00 C ATOM 1059 CE LYS A 66 3.765 6.195 10.010 1.00 0.00 C ATOM 1060 NZ LYS A 66 3.100 4.882 9.782 1.00 0.00 N ATOM 0 H LYS A 66 6.146 6.457 4.449 1.00 0.00 H new ATOM 0 HA LYS A 66 4.908 8.200 6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.059 5.646 6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.789 5.778 6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.911 5.481 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.235 7.200 8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.950 7.767 8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.513 6.210 7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.649 6.086 10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.098 6.893 10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.815 4.474 10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.259 5.018 9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.761 4.236 9.306 1.00 0.00 H new ATOM 1074 N GLU A 67 8.199 8.112 6.316 1.00 0.00 N ATOM 1075 CA GLU A 67 9.404 8.879 6.754 1.00 0.00 C ATOM 1076 C GLU A 67 9.378 10.284 6.147 1.00 0.00 C ATOM 1077 O GLU A 67 9.443 11.274 6.850 1.00 0.00 O ATOM 1078 CB GLU A 67 10.603 8.088 6.224 1.00 0.00 C ATOM 1079 CG GLU A 67 10.746 6.786 7.013 1.00 0.00 C ATOM 1080 CD GLU A 67 11.873 5.944 6.410 1.00 0.00 C ATOM 1081 OE1 GLU A 67 12.991 6.430 6.370 1.00 0.00 O ATOM 1082 OE2 GLU A 67 11.597 4.830 5.999 1.00 0.00 O ATOM 0 H GLU A 67 8.393 7.301 5.728 1.00 0.00 H new ATOM 0 HA GLU A 67 9.446 8.996 7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.469 7.870 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.512 8.682 6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.961 7.004 8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.809 6.229 6.989 1.00 0.00 H new ATOM 1089 N LYS A 68 9.280 10.376 4.842 1.00 0.00 N ATOM 1090 CA LYS A 68 9.246 11.718 4.175 1.00 0.00 C ATOM 1091 C LYS A 68 8.096 12.564 4.731 1.00 0.00 C ATOM 1092 O LYS A 68 8.155 13.778 4.734 1.00 0.00 O ATOM 1093 CB LYS A 68 9.027 11.425 2.689 1.00 0.00 C ATOM 1094 CG LYS A 68 10.289 10.790 2.102 1.00 0.00 C ATOM 1095 CD LYS A 68 10.089 10.543 0.606 1.00 0.00 C ATOM 1096 CE LYS A 68 11.159 9.573 0.102 1.00 0.00 C ATOM 1097 NZ LYS A 68 12.424 10.359 0.106 1.00 0.00 N ATOM 0 H LYS A 68 9.222 9.579 4.209 1.00 0.00 H new ATOM 0 HA LYS A 68 10.163 12.281 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.177 10.755 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.790 12.346 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.146 11.444 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.506 9.851 2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.096 10.132 0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.150 11.484 0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.235 8.699 0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.923 9.210 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.128 9.887 -0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.240 11.315 -0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.789 10.425 1.078 1.00 0.00 H new ATOM 1111 N TYR A 69 7.057 11.928 5.213 1.00 0.00 N ATOM 1112 CA TYR A 69 5.905 12.688 5.784 1.00 0.00 C ATOM 1113 C TYR A 69 6.285 13.217 7.171 1.00 0.00 C ATOM 1114 O TYR A 69 6.421 14.406 7.378 1.00 0.00 O ATOM 1115 CB TYR A 69 4.760 11.663 5.875 1.00 0.00 C ATOM 1116 CG TYR A 69 3.574 12.254 6.613 1.00 0.00 C ATOM 1117 CD1 TYR A 69 3.488 12.130 8.005 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.568 12.924 5.908 1.00 0.00 C ATOM 1119 CE1 TYR A 69 2.396 12.676 8.691 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.476 13.471 6.594 1.00 0.00 C ATOM 1121 CZ TYR A 69 1.392 13.347 7.986 1.00 0.00 C ATOM 1122 OH TYR A 69 0.316 13.886 8.661 1.00 0.00 O ATOM 0 H TYR A 69 6.958 10.913 5.235 1.00 0.00 H new ATOM 0 HA TYR A 69 5.619 13.549 5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.457 11.358 4.873 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.106 10.767 6.390 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.264 11.613 8.550 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.633 13.019 4.834 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.329 12.579 9.765 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.700 13.988 6.050 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.158 14.512 8.074 1.00 0.00 H new ATOM 1132 N GLU A 70 6.451 12.331 8.120 1.00 0.00 N ATOM 1133 CA GLU A 70 6.814 12.754 9.513 1.00 0.00 C ATOM 1134 C GLU A 70 8.031 13.692 9.517 1.00 0.00 C ATOM 1135 O GLU A 70 8.219 14.466 10.436 1.00 0.00 O ATOM 1136 CB GLU A 70 7.148 11.453 10.247 1.00 0.00 C ATOM 1137 CG GLU A 70 5.934 10.988 11.053 1.00 0.00 C ATOM 1138 CD GLU A 70 6.316 9.773 11.901 1.00 0.00 C ATOM 1139 OE1 GLU A 70 6.932 9.968 12.936 1.00 0.00 O ATOM 1140 OE2 GLU A 70 5.987 8.669 11.500 1.00 0.00 O ATOM 0 H GLU A 70 6.350 11.324 7.991 1.00 0.00 H new ATOM 0 HA GLU A 70 6.001 13.306 9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.437 10.684 9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.999 11.607 10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.580 11.795 11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.115 10.732 10.381 1.00 0.00 H new ATOM 1147 N LYS A 71 8.858 13.620 8.505 1.00 0.00 N ATOM 1148 CA LYS A 71 10.067 14.498 8.458 1.00 0.00 C ATOM 1149 C LYS A 71 9.772 15.796 7.695 1.00 0.00 C ATOM 1150 O LYS A 71 9.855 16.878 8.244 1.00 0.00 O ATOM 1151 CB LYS A 71 11.123 13.677 7.719 1.00 0.00 C ATOM 1152 CG LYS A 71 11.744 12.661 8.678 1.00 0.00 C ATOM 1153 CD LYS A 71 12.667 11.721 7.899 1.00 0.00 C ATOM 1154 CE LYS A 71 13.429 10.826 8.878 1.00 0.00 C ATOM 1155 NZ LYS A 71 12.449 9.782 9.287 1.00 0.00 N ATOM 0 H LYS A 71 8.749 12.991 7.709 1.00 0.00 H new ATOM 0 HA LYS A 71 10.393 14.791 9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.671 13.163 6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.895 14.334 7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.306 13.177 9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.961 12.089 9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.084 11.110 7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.368 12.299 7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.306 10.382 8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.783 11.394 9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.395 9.744 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.512 10.015 8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.754 8.857 8.922 1.00 0.00 H new ATOM 1169 N ASP A 72 9.446 15.691 6.433 1.00 0.00 N ATOM 1170 CA ASP A 72 9.164 16.917 5.618 1.00 0.00 C ATOM 1171 C ASP A 72 8.023 17.737 6.230 1.00 0.00 C ATOM 1172 O ASP A 72 7.988 18.947 6.104 1.00 0.00 O ATOM 1173 CB ASP A 72 8.764 16.399 4.236 1.00 0.00 C ATOM 1174 CG ASP A 72 8.771 17.556 3.235 1.00 0.00 C ATOM 1175 OD1 ASP A 72 7.750 18.214 3.111 1.00 0.00 O ATOM 1176 OD2 ASP A 72 9.797 17.765 2.608 1.00 0.00 O ATOM 0 H ASP A 72 9.362 14.809 5.928 1.00 0.00 H new ATOM 0 HA ASP A 72 10.031 17.576 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.456 15.621 3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.773 15.947 4.278 1.00 0.00 H new ATOM 1181 N ILE A 73 7.086 17.092 6.881 1.00 0.00 N ATOM 1182 CA ILE A 73 5.944 17.846 7.487 1.00 0.00 C ATOM 1183 C ILE A 73 6.453 18.819 8.562 1.00 0.00 C ATOM 1184 O ILE A 73 5.932 19.907 8.722 1.00 0.00 O ATOM 1185 CB ILE A 73 5.014 16.772 8.084 1.00 0.00 C ATOM 1186 CG1 ILE A 73 3.676 17.414 8.453 1.00 0.00 C ATOM 1187 CG2 ILE A 73 5.639 16.138 9.334 1.00 0.00 C ATOM 1188 CD1 ILE A 73 2.799 17.512 7.203 1.00 0.00 C ATOM 0 H ILE A 73 7.062 16.082 7.019 1.00 0.00 H new ATOM 0 HA ILE A 73 5.416 18.456 6.754 1.00 0.00 H new ATOM 0 HB ILE A 73 4.863 15.989 7.341 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.174 16.821 9.218 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.840 18.406 8.875 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.963 15.383 9.736 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.588 15.671 9.070 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.811 16.909 10.086 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.844 17.969 7.463 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.302 18.123 6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.625 16.514 6.801 1.00 0.00 H new ATOM 1200 N ALA A 74 7.467 18.430 9.294 1.00 0.00 N ATOM 1201 CA ALA A 74 8.017 19.324 10.362 1.00 0.00 C ATOM 1202 C ALA A 74 8.507 20.639 9.747 1.00 0.00 C ATOM 1203 O ALA A 74 8.128 21.712 10.176 1.00 0.00 O ATOM 1204 CB ALA A 74 9.186 18.550 10.974 1.00 0.00 C ATOM 0 H ALA A 74 7.939 17.531 9.199 1.00 0.00 H new ATOM 0 HA ALA A 74 7.267 19.580 11.110 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.640 19.144 11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.823 17.610 11.388 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.929 18.344 10.204 1.00 0.00 H new ATOM 1210 N ALA A 75 9.342 20.557 8.742 1.00 0.00 N ATOM 1211 CA ALA A 75 9.857 21.798 8.087 1.00 0.00 C ATOM 1212 C ALA A 75 8.752 22.448 7.246 1.00 0.00 C ATOM 1213 O ALA A 75 8.760 23.641 7.015 1.00 0.00 O ATOM 1214 CB ALA A 75 11.009 21.334 7.194 1.00 0.00 C ATOM 0 H ALA A 75 9.690 19.683 8.346 1.00 0.00 H new ATOM 0 HA ALA A 75 10.184 22.541 8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.439 22.193 6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.775 20.858 7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.636 20.620 6.460 1.00 0.00 H new ATOM 1220 N TYR A 76 7.803 21.667 6.790 1.00 0.00 N ATOM 1221 CA TYR A 76 6.692 22.233 5.964 1.00 0.00 C ATOM 1222 C TYR A 76 5.833 23.175 6.813 1.00 0.00 C ATOM 1223 O TYR A 76 5.279 24.138 6.317 1.00 0.00 O ATOM 1224 CB TYR A 76 5.873 21.024 5.508 1.00 0.00 C ATOM 1225 CG TYR A 76 4.798 21.476 4.549 1.00 0.00 C ATOM 1226 CD1 TYR A 76 5.128 21.784 3.224 1.00 0.00 C ATOM 1227 CD2 TYR A 76 3.472 21.590 4.985 1.00 0.00 C ATOM 1228 CE1 TYR A 76 4.131 22.204 2.334 1.00 0.00 C ATOM 1229 CE2 TYR A 76 2.477 22.010 4.096 1.00 0.00 C ATOM 1230 CZ TYR A 76 2.806 22.318 2.770 1.00 0.00 C ATOM 1231 OH TYR A 76 1.824 22.731 1.894 1.00 0.00 O ATOM 0 H TYR A 76 7.750 20.662 6.954 1.00 0.00 H new ATOM 0 HA TYR A 76 7.062 22.812 5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.522 20.293 5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.423 20.531 6.369 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.151 21.698 2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.218 21.354 6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.385 22.440 1.311 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.454 22.097 4.432 1.00 0.00 H new ATOM 0 HH TYR A 76 0.961 22.755 2.358 1.00 0.00 H new ATOM 1241 N ARG A 77 5.722 22.900 8.088 1.00 0.00 N ATOM 1242 CA ARG A 77 4.900 23.773 8.979 1.00 0.00 C ATOM 1243 C ARG A 77 5.732 24.973 9.455 1.00 0.00 C ATOM 1244 O ARG A 77 5.624 26.059 8.916 1.00 0.00 O ATOM 1245 CB ARG A 77 4.496 22.878 10.153 1.00 0.00 C ATOM 1246 CG ARG A 77 3.214 22.122 9.800 1.00 0.00 C ATOM 1247 CD ARG A 77 2.853 21.166 10.939 1.00 0.00 C ATOM 1248 NE ARG A 77 1.377 21.000 10.849 1.00 0.00 N ATOM 1249 CZ ARG A 77 0.605 21.521 11.763 1.00 0.00 C ATOM 1250 NH1 ARG A 77 0.464 20.925 12.915 1.00 0.00 N ATOM 1251 NH2 ARG A 77 -0.027 22.638 11.524 1.00 0.00 N ATOM 0 H ARG A 77 6.166 22.107 8.551 1.00 0.00 H new ATOM 0 HA ARG A 77 4.026 24.182 8.472 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.296 22.173 10.379 1.00 0.00 H new ATOM 0 HB3 ARG A 77 4.341 23.481 11.047 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.399 22.826 9.630 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.352 21.565 8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.365 20.210 10.829 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.146 21.575 11.906 1.00 0.00 H new ATOM 0 HE ARG A 77 0.969 20.479 10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.957 20.052 13.101 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.139 21.332 13.629 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.083 23.103 10.623 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.631 23.045 12.238 1.00 0.00 H new ATOM 1265 N ALA A 78 6.557 24.790 10.459 1.00 0.00 N ATOM 1266 CA ALA A 78 7.391 25.922 10.966 1.00 0.00 C ATOM 1267 C ALA A 78 8.456 25.398 11.934 1.00 0.00 C ATOM 1268 O ALA A 78 8.680 25.963 12.987 1.00 0.00 O ATOM 1269 CB ALA A 78 6.411 26.841 11.696 1.00 0.00 C ATOM 0 H ALA A 78 6.688 23.905 10.948 1.00 0.00 H new ATOM 0 HA ALA A 78 7.915 26.441 10.164 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.948 27.699 12.099 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.647 27.186 10.999 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.938 26.294 12.511 1.00 0.00 H new ATOM 1275 N LYS A 79 9.112 24.322 11.580 1.00 0.00 N ATOM 1276 CA LYS A 79 10.165 23.752 12.473 1.00 0.00 C ATOM 1277 C LYS A 79 11.456 23.515 11.685 1.00 0.00 C ATOM 1278 O LYS A 79 11.427 22.713 10.767 1.00 0.00 O ATOM 1279 CB LYS A 79 9.587 22.427 12.969 1.00 0.00 C ATOM 1280 CG LYS A 79 9.003 22.611 14.372 1.00 0.00 C ATOM 1281 CD LYS A 79 7.994 21.495 14.654 1.00 0.00 C ATOM 1282 CE LYS A 79 6.721 21.737 13.841 1.00 0.00 C ATOM 1283 NZ LYS A 79 5.771 20.683 14.293 1.00 0.00 N ATOM 1284 OXT LYS A 79 12.451 24.139 12.015 1.00 0.00 O ATOM 0 H LYS A 79 8.963 23.813 10.709 1.00 0.00 H new ATOM 0 HA LYS A 79 10.416 24.421 13.296 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.813 22.078 12.285 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.365 21.664 12.986 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.800 22.592 15.115 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.517 23.584 14.451 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.425 20.528 14.395 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.758 21.464 15.718 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.320 22.734 14.022 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.915 21.661 12.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.872 20.783 13.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.177 19.745 14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.600 20.784 15.314 1.00 0.00 H new TER 1298 LYS A 79