USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 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 -136:sc= -0.266 (180deg=-1.57!) 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+ -118:sc= 0 (180deg=-0.109) USER MOD Single : A 4 LYS NZ :NH3+ -159:sc=-0.00993 (180deg=-0.374) USER MOD Single : A 7 ASN : amide:sc= 0.00991 X(o=0.0099,f=-0.024) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 41:sc= 0.959 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.00303 USER MOD Single : A 21 SER OG : rot -38:sc= 0.53 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.267) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.272 K(o=0.27,f=-3.7!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.212 USER MOD Single : A 39 THR OG1 : rot 69:sc= -0.258 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 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.853 K(o=-0.85,f=-3.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.102) USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= -0.0143 (180deg=-0.451) USER MOD Single : A 56 GLN : amide:sc= -0.304 K(o=-0.3,f=-1.1) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.873 K(o=-0.87,f=-3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -118:sc=-1.8e-05 (180deg=-0.196) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.332) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.446 5.607 -9.002 1.00 0.00 N ATOM 2 CA MET A 1 -6.462 6.463 -9.727 1.00 0.00 C ATOM 3 C MET A 1 -6.461 7.878 -9.144 1.00 0.00 C ATOM 4 O MET A 1 -7.301 8.694 -9.474 1.00 0.00 O ATOM 5 CB MET A 1 -6.945 6.481 -11.178 1.00 0.00 C ATOM 6 CG MET A 1 -5.777 6.829 -12.102 1.00 0.00 C ATOM 7 SD MET A 1 -6.292 6.634 -13.826 1.00 0.00 S ATOM 8 CE MET A 1 -6.484 4.835 -13.801 1.00 0.00 C ATOM 0 H1 MET A 1 -7.437 4.649 -9.407 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.190 5.560 -7.995 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.398 6.015 -9.098 1.00 0.00 H new ATOM 0 HA MET A 1 -5.444 6.084 -9.641 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.358 5.509 -11.447 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.746 7.211 -11.297 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.450 7.853 -11.923 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.926 6.181 -11.890 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.042 4.409 -14.702 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.982 4.428 -12.923 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.544 4.583 -13.762 1.00 0.00 H new ATOM 20 N LYS A 2 -5.522 8.172 -8.280 1.00 0.00 N ATOM 21 CA LYS A 2 -5.458 9.533 -7.670 1.00 0.00 C ATOM 22 C LYS A 2 -4.343 10.355 -8.321 1.00 0.00 C ATOM 23 O LYS A 2 -3.546 9.839 -9.082 1.00 0.00 O ATOM 24 CB LYS A 2 -5.155 9.292 -6.192 1.00 0.00 C ATOM 25 CG LYS A 2 -6.460 9.333 -5.388 1.00 0.00 C ATOM 26 CD LYS A 2 -6.250 10.133 -4.102 1.00 0.00 C ATOM 27 CE LYS A 2 -7.267 9.697 -3.050 1.00 0.00 C ATOM 28 NZ LYS A 2 -8.295 10.776 -3.032 1.00 0.00 N ATOM 0 H LYS A 2 -4.796 7.526 -7.971 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.384 10.091 -7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.666 8.326 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.464 10.050 -5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.251 9.787 -5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.782 8.320 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.238 9.979 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.356 11.199 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.710 8.735 -3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.798 9.583 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.028 10.545 -2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.846 11.679 -2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.729 10.857 -3.973 1.00 0.00 H new ATOM 42 N LYS A 3 -4.282 11.629 -8.024 1.00 0.00 N ATOM 43 CA LYS A 3 -3.222 12.495 -8.616 1.00 0.00 C ATOM 44 C LYS A 3 -3.216 13.864 -7.928 1.00 0.00 C ATOM 45 O LYS A 3 -3.484 14.880 -8.543 1.00 0.00 O ATOM 46 CB LYS A 3 -3.594 12.634 -10.095 1.00 0.00 C ATOM 47 CG LYS A 3 -2.406 13.212 -10.866 1.00 0.00 C ATOM 48 CD LYS A 3 -2.838 13.540 -12.298 1.00 0.00 C ATOM 49 CE LYS A 3 -1.851 14.533 -12.914 1.00 0.00 C ATOM 50 NZ LYS A 3 -0.620 13.738 -13.178 1.00 0.00 N ATOM 0 H LYS A 3 -4.925 12.107 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.225 12.072 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.869 11.662 -10.505 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.463 13.284 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.040 14.111 -10.370 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.584 12.497 -10.878 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.875 12.629 -12.896 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.843 13.962 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.247 14.965 -13.833 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.648 15.361 -12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.168 14.123 -12.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.783 12.747 -12.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.385 13.788 -14.190 1.00 0.00 H new ATOM 64 N LYS A 4 -2.913 13.894 -6.655 1.00 0.00 N ATOM 65 CA LYS A 4 -2.886 15.183 -5.916 1.00 0.00 C ATOM 66 C LYS A 4 -1.522 15.853 -6.077 1.00 0.00 C ATOM 67 O LYS A 4 -0.718 15.460 -6.900 1.00 0.00 O ATOM 68 CB LYS A 4 -3.144 14.819 -4.446 1.00 0.00 C ATOM 69 CG LYS A 4 -2.074 13.842 -3.942 1.00 0.00 C ATOM 70 CD LYS A 4 -1.988 13.919 -2.419 1.00 0.00 C ATOM 71 CE LYS A 4 -0.797 13.089 -1.935 1.00 0.00 C ATOM 72 NZ LYS A 4 -1.212 11.672 -2.127 1.00 0.00 N ATOM 0 H LYS A 4 -2.682 13.073 -6.096 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.631 15.885 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.139 15.721 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.132 14.371 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.320 12.826 -4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.108 14.085 -4.384 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.876 14.956 -2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.910 13.547 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.102 13.318 -2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.571 13.296 -0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.638 11.056 -1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.216 11.568 -1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.072 11.401 -3.121 1.00 0.00 H new ATOM 86 N ASP A 5 -1.262 16.868 -5.295 1.00 0.00 N ATOM 87 CA ASP A 5 0.049 17.595 -5.377 1.00 0.00 C ATOM 88 C ASP A 5 1.236 16.610 -5.372 1.00 0.00 C ATOM 89 O ASP A 5 1.145 15.545 -4.794 1.00 0.00 O ATOM 90 CB ASP A 5 0.080 18.465 -4.121 1.00 0.00 C ATOM 91 CG ASP A 5 -0.315 19.901 -4.476 1.00 0.00 C ATOM 92 OD1 ASP A 5 0.428 20.536 -5.207 1.00 0.00 O ATOM 93 OD2 ASP A 5 -1.354 20.340 -4.013 1.00 0.00 O ATOM 0 H ASP A 5 -1.907 17.232 -4.593 1.00 0.00 H new ATOM 0 HA ASP A 5 0.136 18.174 -6.297 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.604 18.064 -3.373 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.077 18.450 -3.682 1.00 0.00 H new ATOM 98 N PRO A 6 2.314 16.991 -6.029 1.00 0.00 N ATOM 99 CA PRO A 6 3.505 16.109 -6.093 1.00 0.00 C ATOM 100 C PRO A 6 4.279 16.129 -4.771 1.00 0.00 C ATOM 101 O PRO A 6 4.917 15.158 -4.406 1.00 0.00 O ATOM 102 CB PRO A 6 4.344 16.718 -7.212 1.00 0.00 C ATOM 103 CG PRO A 6 3.941 18.158 -7.269 1.00 0.00 C ATOM 104 CD PRO A 6 2.525 18.252 -6.761 1.00 0.00 C ATOM 0 HA PRO A 6 3.244 15.066 -6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.409 16.616 -7.005 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.154 16.219 -8.162 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.608 18.767 -6.660 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.008 18.535 -8.290 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.393 19.116 -6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.815 18.359 -7.581 1.00 0.00 H new ATOM 112 N ASN A 7 4.243 17.227 -4.057 1.00 0.00 N ATOM 113 CA ASN A 7 4.992 17.309 -2.766 1.00 0.00 C ATOM 114 C ASN A 7 4.032 17.457 -1.581 1.00 0.00 C ATOM 115 O ASN A 7 4.400 17.967 -0.540 1.00 0.00 O ATOM 116 CB ASN A 7 5.870 18.555 -2.899 1.00 0.00 C ATOM 117 CG ASN A 7 7.106 18.404 -2.010 1.00 0.00 C ATOM 118 OD1 ASN A 7 8.149 17.979 -2.465 1.00 0.00 O ATOM 119 ND2 ASN A 7 7.032 18.736 -0.750 1.00 0.00 N ATOM 0 H ASN A 7 3.728 18.069 -4.313 1.00 0.00 H new ATOM 0 HA ASN A 7 5.575 16.407 -2.579 1.00 0.00 H new ATOM 0 HB2 ASN A 7 6.170 18.692 -3.938 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.307 19.442 -2.610 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.850 18.639 -0.148 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.157 19.093 -0.367 1.00 0.00 H new ATOM 126 N ALA A 8 2.810 17.011 -1.728 1.00 0.00 N ATOM 127 CA ALA A 8 1.829 17.117 -0.604 1.00 0.00 C ATOM 128 C ALA A 8 1.609 15.737 0.037 1.00 0.00 C ATOM 129 O ALA A 8 0.743 14.998 -0.390 1.00 0.00 O ATOM 130 CB ALA A 8 0.538 17.619 -1.247 1.00 0.00 C ATOM 0 H ALA A 8 2.449 16.578 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 8 2.176 17.785 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.233 17.723 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.717 18.587 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.207 16.906 -2.002 1.00 0.00 H new ATOM 136 N PRO A 9 2.395 15.420 1.044 1.00 0.00 N ATOM 137 CA PRO A 9 2.252 14.105 1.719 1.00 0.00 C ATOM 138 C PRO A 9 0.973 14.069 2.560 1.00 0.00 C ATOM 139 O PRO A 9 1.004 14.276 3.759 1.00 0.00 O ATOM 140 CB PRO A 9 3.488 14.018 2.608 1.00 0.00 C ATOM 141 CG PRO A 9 3.883 15.437 2.859 1.00 0.00 C ATOM 142 CD PRO A 9 3.472 16.227 1.645 1.00 0.00 C ATOM 0 HA PRO A 9 2.178 13.273 1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.268 13.499 3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.289 13.466 2.117 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.393 15.822 3.754 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.957 15.515 3.025 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.121 17.223 1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.305 16.360 0.954 1.00 0.00 H new ATOM 150 N LYS A 10 -0.149 13.811 1.936 1.00 0.00 N ATOM 151 CA LYS A 10 -1.442 13.759 2.686 1.00 0.00 C ATOM 152 C LYS A 10 -1.391 12.656 3.751 1.00 0.00 C ATOM 153 O LYS A 10 -0.331 12.253 4.188 1.00 0.00 O ATOM 154 CB LYS A 10 -2.514 13.442 1.631 1.00 0.00 C ATOM 155 CG LYS A 10 -3.647 14.466 1.715 1.00 0.00 C ATOM 156 CD LYS A 10 -3.114 15.851 1.340 1.00 0.00 C ATOM 157 CE LYS A 10 -4.285 16.775 0.998 1.00 0.00 C ATOM 158 NZ LYS A 10 -3.667 18.109 0.765 1.00 0.00 N ATOM 0 H LYS A 10 -0.226 13.633 0.935 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.652 14.694 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.072 13.457 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.907 12.438 1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.458 14.183 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.060 14.485 2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.539 16.267 2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.438 15.774 0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.817 16.427 0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.009 16.812 1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.408 18.798 0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.173 18.418 1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.987 18.044 -0.019 1.00 0.00 H new ATOM 172 N ARG A 11 -2.534 12.168 4.177 1.00 0.00 N ATOM 173 CA ARG A 11 -2.565 11.090 5.223 1.00 0.00 C ATOM 174 C ARG A 11 -1.610 9.934 4.862 1.00 0.00 C ATOM 175 O ARG A 11 -1.517 9.560 3.709 1.00 0.00 O ATOM 176 CB ARG A 11 -4.012 10.593 5.237 1.00 0.00 C ATOM 177 CG ARG A 11 -4.826 11.415 6.236 1.00 0.00 C ATOM 178 CD ARG A 11 -5.276 12.721 5.577 1.00 0.00 C ATOM 179 NE ARG A 11 -6.522 13.107 6.297 1.00 0.00 N ATOM 180 CZ ARG A 11 -7.660 13.138 5.659 1.00 0.00 C ATOM 181 NH1 ARG A 11 -8.164 12.037 5.171 1.00 0.00 N ATOM 182 NH2 ARG A 11 -8.295 14.268 5.511 1.00 0.00 N ATOM 0 H ARG A 11 -3.450 12.470 3.845 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.243 11.466 6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.446 10.678 4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.042 9.538 5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.694 10.846 6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.226 11.630 7.121 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.512 13.493 5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.462 12.582 4.512 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.486 13.347 7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.668 11.153 5.289 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.053 12.060 4.672 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.902 15.128 5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.184 14.292 5.012 1.00 0.00 H new ATOM 196 N PRO A 12 -0.923 9.401 5.853 1.00 0.00 N ATOM 197 CA PRO A 12 0.020 8.289 5.592 1.00 0.00 C ATOM 198 C PRO A 12 -0.751 6.971 5.396 1.00 0.00 C ATOM 199 O PRO A 12 -1.576 6.623 6.217 1.00 0.00 O ATOM 200 CB PRO A 12 0.870 8.229 6.856 1.00 0.00 C ATOM 201 CG PRO A 12 0.018 8.820 7.934 1.00 0.00 C ATOM 202 CD PRO A 12 -0.952 9.770 7.278 1.00 0.00 C ATOM 0 HA PRO A 12 0.615 8.438 4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.149 7.203 7.094 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.796 8.791 6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.517 8.037 8.472 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.634 9.345 8.664 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.954 9.665 7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.653 10.808 7.425 1.00 0.00 H new ATOM 210 N PRO A 13 -0.468 6.271 4.315 1.00 0.00 N ATOM 211 CA PRO A 13 -1.165 4.993 4.052 1.00 0.00 C ATOM 212 C PRO A 13 -0.506 3.859 4.840 1.00 0.00 C ATOM 213 O PRO A 13 0.459 4.069 5.552 1.00 0.00 O ATOM 214 CB PRO A 13 -0.985 4.791 2.553 1.00 0.00 C ATOM 215 CG PRO A 13 0.253 5.552 2.185 1.00 0.00 C ATOM 216 CD PRO A 13 0.501 6.588 3.256 1.00 0.00 C ATOM 0 HA PRO A 13 -2.213 5.003 4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.881 3.733 2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.850 5.161 2.002 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.105 4.877 2.104 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.131 6.030 1.213 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.524 6.536 3.628 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.352 7.597 2.872 1.00 0.00 H new ATOM 224 N SER A 14 -1.020 2.662 4.719 1.00 0.00 N ATOM 225 CA SER A 14 -0.429 1.509 5.462 1.00 0.00 C ATOM 226 C SER A 14 -0.910 0.185 4.857 1.00 0.00 C ATOM 227 O SER A 14 -1.623 -0.572 5.487 1.00 0.00 O ATOM 228 CB SER A 14 -0.935 1.664 6.896 1.00 0.00 C ATOM 229 OG SER A 14 0.037 2.362 7.664 1.00 0.00 O ATOM 0 H SER A 14 -1.825 2.433 4.136 1.00 0.00 H new ATOM 0 HA SER A 14 0.660 1.499 5.414 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.880 2.207 6.904 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.127 0.685 7.334 1.00 0.00 H new ATOM 0 HG SER A 14 0.407 3.098 7.133 1.00 0.00 H new ATOM 235 N ALA A 15 -0.535 -0.097 3.628 1.00 0.00 N ATOM 236 CA ALA A 15 -0.970 -1.365 2.949 1.00 0.00 C ATOM 237 C ALA A 15 -2.478 -1.334 2.704 1.00 0.00 C ATOM 238 O ALA A 15 -2.925 -1.108 1.596 1.00 0.00 O ATOM 239 CB ALA A 15 -0.579 -2.531 3.875 1.00 0.00 C ATOM 0 H ALA A 15 0.061 0.505 3.060 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.488 -1.481 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.878 -3.474 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.500 -2.528 4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.082 -2.417 4.835 1.00 0.00 H new ATOM 245 N PHE A 16 -3.270 -1.558 3.724 1.00 0.00 N ATOM 246 CA PHE A 16 -4.760 -1.541 3.548 1.00 0.00 C ATOM 247 C PHE A 16 -5.216 -0.256 2.855 1.00 0.00 C ATOM 248 O PHE A 16 -6.048 -0.282 1.968 1.00 0.00 O ATOM 249 CB PHE A 16 -5.319 -1.589 4.965 1.00 0.00 C ATOM 250 CG PHE A 16 -6.771 -2.000 4.925 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.732 -1.126 4.401 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.157 -3.255 5.410 1.00 0.00 C ATOM 253 CE1 PHE A 16 -9.078 -1.508 4.363 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.503 -3.636 5.373 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.464 -2.763 4.849 1.00 0.00 C ATOM 0 H PHE A 16 -2.951 -1.752 4.673 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.102 -2.371 2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.748 -2.295 5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.220 -0.612 5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.434 -0.158 4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.416 -3.929 5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.819 -0.834 3.959 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.801 -4.604 5.749 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.503 -3.058 4.820 1.00 0.00 H new ATOM 265 N PHE A 17 -4.670 0.866 3.251 1.00 0.00 N ATOM 266 CA PHE A 17 -5.063 2.155 2.610 1.00 0.00 C ATOM 267 C PHE A 17 -4.661 2.132 1.138 1.00 0.00 C ATOM 268 O PHE A 17 -5.295 2.750 0.304 1.00 0.00 O ATOM 269 CB PHE A 17 -4.289 3.240 3.360 1.00 0.00 C ATOM 270 CG PHE A 17 -4.924 4.584 3.095 1.00 0.00 C ATOM 271 CD1 PHE A 17 -4.626 5.279 1.917 1.00 0.00 C ATOM 272 CD2 PHE A 17 -5.810 5.136 4.028 1.00 0.00 C ATOM 273 CE1 PHE A 17 -5.214 6.526 1.671 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.398 6.383 3.782 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.100 7.078 2.603 1.00 0.00 C ATOM 0 H PHE A 17 -3.970 0.944 3.989 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.138 2.331 2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.290 3.030 4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.248 3.248 3.038 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.942 4.853 1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.040 4.600 4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.984 7.062 0.762 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.081 6.809 4.502 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.554 8.039 2.413 1.00 0.00 H new ATOM 285 N LEU A 18 -3.608 1.426 0.814 1.00 0.00 N ATOM 286 CA LEU A 18 -3.150 1.358 -0.606 1.00 0.00 C ATOM 287 C LEU A 18 -4.073 0.442 -1.411 1.00 0.00 C ATOM 288 O LEU A 18 -4.463 0.760 -2.518 1.00 0.00 O ATOM 289 CB LEU A 18 -1.731 0.764 -0.562 1.00 0.00 C ATOM 290 CG LEU A 18 -0.833 1.559 0.398 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.571 0.953 0.394 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.752 3.022 -0.055 1.00 0.00 C ATOM 0 H LEU A 18 -3.044 0.892 1.475 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.162 2.340 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.778 -0.277 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.298 0.772 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.254 1.515 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.212 1.514 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.520 -0.086 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.984 0.998 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.114 3.580 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.334 3.069 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.751 3.458 -0.057 1.00 0.00 H new ATOM 304 N PHE A 19 -4.424 -0.692 -0.859 1.00 0.00 N ATOM 305 CA PHE A 19 -5.324 -1.639 -1.588 1.00 0.00 C ATOM 306 C PHE A 19 -6.707 -1.013 -1.771 1.00 0.00 C ATOM 307 O PHE A 19 -7.258 -1.014 -2.856 1.00 0.00 O ATOM 308 CB PHE A 19 -5.413 -2.881 -0.698 1.00 0.00 C ATOM 309 CG PHE A 19 -6.061 -4.007 -1.467 1.00 0.00 C ATOM 310 CD1 PHE A 19 -7.456 -4.119 -1.502 1.00 0.00 C ATOM 311 CD2 PHE A 19 -5.267 -4.939 -2.145 1.00 0.00 C ATOM 312 CE1 PHE A 19 -8.058 -5.162 -2.215 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.868 -5.983 -2.858 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.264 -6.095 -2.893 1.00 0.00 C ATOM 0 H PHE A 19 -4.126 -1.004 0.065 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.946 -1.881 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.417 -3.177 -0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.992 -2.658 0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.068 -3.400 -0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.191 -4.853 -2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.134 -5.247 -2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.255 -6.702 -3.381 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.728 -6.901 -3.443 1.00 0.00 H new ATOM 324 N CYS A 20 -7.266 -0.470 -0.719 1.00 0.00 N ATOM 325 CA CYS A 20 -8.613 0.168 -0.831 1.00 0.00 C ATOM 326 C CYS A 20 -8.528 1.402 -1.732 1.00 0.00 C ATOM 327 O CYS A 20 -9.486 1.774 -2.376 1.00 0.00 O ATOM 328 CB CYS A 20 -8.992 0.569 0.597 1.00 0.00 C ATOM 329 SG CYS A 20 -10.759 0.952 0.666 1.00 0.00 S ATOM 0 H CYS A 20 -6.849 -0.441 0.211 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.353 -0.502 -1.268 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.757 -0.240 1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.409 1.435 0.910 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.083 1.291 1.879 1.00 0.00 H new ATOM 335 N SER A 21 -7.390 2.046 -1.763 1.00 0.00 N ATOM 336 CA SER A 21 -7.238 3.269 -2.607 1.00 0.00 C ATOM 337 C SER A 21 -6.740 2.925 -4.019 1.00 0.00 C ATOM 338 O SER A 21 -6.434 3.812 -4.795 1.00 0.00 O ATOM 339 CB SER A 21 -6.207 4.127 -1.877 1.00 0.00 C ATOM 340 OG SER A 21 -6.124 5.399 -2.506 1.00 0.00 O ATOM 0 H SER A 21 -6.557 1.777 -1.239 1.00 0.00 H new ATOM 0 HA SER A 21 -8.192 3.780 -2.739 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.489 4.244 -0.831 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.233 3.637 -1.892 1.00 0.00 H new ATOM 0 HG SER A 21 -6.199 5.289 -3.477 1.00 0.00 H new ATOM 346 N GLU A 22 -6.648 1.659 -4.367 1.00 0.00 N ATOM 347 CA GLU A 22 -6.160 1.299 -5.739 1.00 0.00 C ATOM 348 C GLU A 22 -6.967 0.143 -6.356 1.00 0.00 C ATOM 349 O GLU A 22 -6.682 -0.281 -7.462 1.00 0.00 O ATOM 350 CB GLU A 22 -4.708 0.879 -5.544 1.00 0.00 C ATOM 351 CG GLU A 22 -3.835 2.119 -5.346 1.00 0.00 C ATOM 352 CD GLU A 22 -3.584 2.789 -6.698 1.00 0.00 C ATOM 353 OE1 GLU A 22 -2.979 2.157 -7.548 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.004 3.924 -6.862 1.00 0.00 O ATOM 0 H GLU A 22 -6.887 0.869 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.270 2.139 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.623 0.221 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.363 0.314 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.325 2.817 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.887 1.840 -4.885 1.00 0.00 H new ATOM 361 N TYR A 23 -7.959 -0.378 -5.669 1.00 0.00 N ATOM 362 CA TYR A 23 -8.756 -1.508 -6.242 1.00 0.00 C ATOM 363 C TYR A 23 -10.245 -1.156 -6.292 1.00 0.00 C ATOM 364 O TYR A 23 -11.087 -2.031 -6.339 1.00 0.00 O ATOM 365 CB TYR A 23 -8.516 -2.684 -5.296 1.00 0.00 C ATOM 366 CG TYR A 23 -7.296 -3.452 -5.743 1.00 0.00 C ATOM 367 CD1 TYR A 23 -7.395 -4.373 -6.794 1.00 0.00 C ATOM 368 CD2 TYR A 23 -6.066 -3.242 -5.110 1.00 0.00 C ATOM 369 CE1 TYR A 23 -6.264 -5.085 -7.209 1.00 0.00 C ATOM 370 CE2 TYR A 23 -4.934 -3.954 -5.526 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.033 -4.876 -6.576 1.00 0.00 C ATOM 372 OH TYR A 23 -3.918 -5.577 -6.986 1.00 0.00 O ATOM 0 H TYR A 23 -8.249 -0.070 -4.741 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.457 -1.735 -7.265 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.377 -2.322 -4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.387 -3.339 -5.286 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.344 -4.533 -7.284 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.990 -2.531 -4.301 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.341 -5.796 -8.018 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.985 -3.792 -5.037 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.147 -5.312 -6.443 1.00 0.00 H new ATOM 382 N ARG A 24 -10.576 0.111 -6.285 1.00 0.00 N ATOM 383 CA ARG A 24 -12.007 0.515 -6.335 1.00 0.00 C ATOM 384 C ARG A 24 -12.538 0.586 -7.779 1.00 0.00 C ATOM 385 O ARG A 24 -13.613 0.089 -8.028 1.00 0.00 O ATOM 386 CB ARG A 24 -12.069 1.890 -5.680 1.00 0.00 C ATOM 387 CG ARG A 24 -11.583 1.792 -4.232 1.00 0.00 C ATOM 388 CD ARG A 24 -11.444 3.198 -3.646 1.00 0.00 C ATOM 389 NE ARG A 24 -11.854 3.063 -2.221 1.00 0.00 N ATOM 390 CZ ARG A 24 -12.733 3.883 -1.713 1.00 0.00 C ATOM 391 NH1 ARG A 24 -13.926 3.965 -2.235 1.00 0.00 N ATOM 392 NH2 ARG A 24 -12.419 4.621 -0.684 1.00 0.00 N ATOM 0 H ARG A 24 -9.911 0.883 -6.247 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.631 -0.217 -5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.451 2.596 -6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.090 2.271 -5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.287 1.207 -3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.625 1.273 -4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.420 3.561 -3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.078 3.910 -4.174 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.447 2.329 -1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.171 3.388 -3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.613 4.606 -1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.486 4.557 -0.276 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.106 5.262 -0.287 1.00 0.00 H new ATOM 406 N PRO A 25 -11.797 1.200 -8.697 1.00 0.00 N ATOM 407 CA PRO A 25 -12.288 1.301 -10.101 1.00 0.00 C ATOM 408 C PRO A 25 -12.351 -0.084 -10.751 1.00 0.00 C ATOM 409 O PRO A 25 -13.006 -0.270 -11.760 1.00 0.00 O ATOM 410 CB PRO A 25 -11.272 2.212 -10.785 1.00 0.00 C ATOM 411 CG PRO A 25 -10.033 2.091 -9.969 1.00 0.00 C ATOM 412 CD PRO A 25 -10.466 1.822 -8.550 1.00 0.00 C ATOM 0 HA PRO A 25 -13.300 1.699 -10.174 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.097 1.904 -11.816 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.625 3.243 -10.816 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.404 1.282 -10.340 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.443 3.006 -10.026 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.769 1.158 -8.039 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.517 2.741 -7.967 1.00 0.00 H new ATOM 420 N LYS A 26 -11.709 -1.064 -10.162 1.00 0.00 N ATOM 421 CA LYS A 26 -11.768 -2.443 -10.724 1.00 0.00 C ATOM 422 C LYS A 26 -13.151 -3.020 -10.436 1.00 0.00 C ATOM 423 O LYS A 26 -13.831 -3.516 -11.312 1.00 0.00 O ATOM 424 CB LYS A 26 -10.705 -3.231 -9.962 1.00 0.00 C ATOM 425 CG LYS A 26 -10.467 -4.574 -10.653 1.00 0.00 C ATOM 426 CD LYS A 26 -11.528 -5.579 -10.202 1.00 0.00 C ATOM 427 CE LYS A 26 -11.042 -7.001 -10.494 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.237 -7.866 -10.279 1.00 0.00 N ATOM 0 H LYS A 26 -11.147 -0.965 -9.316 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.596 -2.474 -11.800 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.776 -2.662 -9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.026 -3.392 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.506 -4.449 -11.735 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.472 -4.947 -10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.725 -5.462 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.467 -5.390 -10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.669 -7.089 -11.514 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.225 -7.284 -9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.984 -8.858 -10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.566 -7.766 -9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.996 -7.578 -10.929 1.00 0.00 H new ATOM 442 N ILE A 27 -13.565 -2.945 -9.197 1.00 0.00 N ATOM 443 CA ILE A 27 -14.909 -3.473 -8.799 1.00 0.00 C ATOM 444 C ILE A 27 -16.001 -2.849 -9.667 1.00 0.00 C ATOM 445 O ILE A 27 -17.017 -3.456 -9.935 1.00 0.00 O ATOM 446 CB ILE A 27 -15.127 -3.012 -7.344 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.976 -3.447 -6.419 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.439 -3.596 -6.819 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.685 -4.939 -6.571 1.00 0.00 C ATOM 0 H ILE A 27 -13.025 -2.536 -8.435 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.951 -4.556 -8.911 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.162 -1.923 -7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.080 -2.872 -6.653 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.234 -3.227 -5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.596 -3.272 -5.790 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.266 -3.249 -7.439 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.392 -4.684 -6.853 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.868 -5.220 -5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.576 -5.512 -6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.403 -5.152 -7.602 1.00 0.00 H new ATOM 461 N LYS A 28 -15.808 -1.620 -10.053 1.00 0.00 N ATOM 462 CA LYS A 28 -16.856 -0.911 -10.855 1.00 0.00 C ATOM 463 C LYS A 28 -16.917 -1.489 -12.271 1.00 0.00 C ATOM 464 O LYS A 28 -17.979 -1.605 -12.855 1.00 0.00 O ATOM 465 CB LYS A 28 -16.488 0.598 -10.914 1.00 0.00 C ATOM 466 CG LYS A 28 -15.742 1.116 -9.664 1.00 0.00 C ATOM 467 CD LYS A 28 -16.389 0.648 -8.350 1.00 0.00 C ATOM 468 CE LYS A 28 -17.857 1.083 -8.307 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.816 2.548 -8.041 1.00 0.00 N ATOM 0 H LYS A 28 -14.972 -1.072 -9.851 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.833 -1.042 -10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.868 0.775 -11.793 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.401 1.179 -11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.707 0.775 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.719 2.206 -9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.320 -0.437 -8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.851 1.068 -7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.361 0.867 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.403 0.555 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.441 2.773 -7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.842 2.832 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.136 3.063 -8.886 1.00 0.00 H new ATOM 483 N SER A 29 -15.788 -1.846 -12.830 1.00 0.00 N ATOM 484 CA SER A 29 -15.777 -2.413 -14.217 1.00 0.00 C ATOM 485 C SER A 29 -16.645 -3.674 -14.292 1.00 0.00 C ATOM 486 O SER A 29 -17.146 -4.028 -15.343 1.00 0.00 O ATOM 487 CB SER A 29 -14.314 -2.758 -14.499 1.00 0.00 C ATOM 488 OG SER A 29 -14.182 -3.176 -15.850 1.00 0.00 O ATOM 0 H SER A 29 -14.872 -1.770 -12.387 1.00 0.00 H new ATOM 0 HA SER A 29 -16.180 -1.709 -14.945 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.681 -1.891 -14.311 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.979 -3.548 -13.827 1.00 0.00 H new ATOM 0 HG SER A 29 -13.245 -3.396 -16.034 1.00 0.00 H new ATOM 494 N GLU A 30 -16.820 -4.353 -13.187 1.00 0.00 N ATOM 495 CA GLU A 30 -17.652 -5.596 -13.190 1.00 0.00 C ATOM 496 C GLU A 30 -18.903 -5.410 -12.325 1.00 0.00 C ATOM 497 O GLU A 30 -19.900 -6.081 -12.517 1.00 0.00 O ATOM 498 CB GLU A 30 -16.742 -6.677 -12.594 1.00 0.00 C ATOM 499 CG GLU A 30 -16.228 -7.591 -13.709 1.00 0.00 C ATOM 500 CD GLU A 30 -17.321 -8.589 -14.097 1.00 0.00 C ATOM 501 OE1 GLU A 30 -18.177 -8.221 -14.886 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.284 -9.701 -13.599 1.00 0.00 O ATOM 0 H GLU A 30 -16.423 -4.101 -12.282 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.001 -5.855 -14.190 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.903 -6.214 -12.075 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.291 -7.261 -11.856 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.939 -6.997 -14.576 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.337 -8.123 -13.376 1.00 0.00 H new ATOM 509 N HIS A 31 -18.858 -4.510 -11.376 1.00 0.00 N ATOM 510 CA HIS A 31 -20.045 -4.282 -10.494 1.00 0.00 C ATOM 511 C HIS A 31 -20.522 -2.830 -10.639 1.00 0.00 C ATOM 512 O HIS A 31 -19.988 -1.945 -9.999 1.00 0.00 O ATOM 513 CB HIS A 31 -19.565 -4.539 -9.057 1.00 0.00 C ATOM 514 CG HIS A 31 -18.854 -5.864 -8.961 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.476 -5.963 -9.040 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.315 -7.146 -8.798 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.155 -7.262 -8.924 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.239 -8.029 -8.775 1.00 0.00 N ATOM 0 H HIS A 31 -18.050 -3.922 -11.173 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.876 -4.937 -10.757 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.896 -3.738 -8.743 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.416 -4.528 -8.377 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.823 -5.190 -9.164 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.353 -7.427 -8.702 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.144 -7.641 -8.948 1.00 0.00 H new ATOM 526 N PRO A 32 -21.512 -2.620 -11.478 1.00 0.00 N ATOM 527 CA PRO A 32 -22.037 -1.249 -11.686 1.00 0.00 C ATOM 528 C PRO A 32 -22.896 -0.819 -10.498 1.00 0.00 C ATOM 529 O PRO A 32 -23.002 0.353 -10.189 1.00 0.00 O ATOM 530 CB PRO A 32 -22.879 -1.375 -12.951 1.00 0.00 C ATOM 531 CG PRO A 32 -23.273 -2.816 -13.028 1.00 0.00 C ATOM 532 CD PRO A 32 -22.227 -3.614 -12.295 1.00 0.00 C ATOM 0 HA PRO A 32 -21.251 -0.499 -11.777 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.757 -0.730 -12.904 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.311 -1.076 -13.832 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.255 -2.969 -12.580 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.343 -3.139 -14.067 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.680 -4.387 -11.674 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.553 -4.117 -12.988 1.00 0.00 H new ATOM 540 N GLY A 33 -23.507 -1.762 -9.833 1.00 0.00 N ATOM 541 CA GLY A 33 -24.363 -1.425 -8.662 1.00 0.00 C ATOM 542 C GLY A 33 -23.508 -1.293 -7.392 1.00 0.00 C ATOM 543 O GLY A 33 -23.975 -0.802 -6.384 1.00 0.00 O ATOM 0 H GLY A 33 -23.449 -2.756 -10.053 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.894 -0.492 -8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.118 -2.199 -8.521 1.00 0.00 H new ATOM 547 N LEU A 34 -22.272 -1.740 -7.426 1.00 0.00 N ATOM 548 CA LEU A 34 -21.389 -1.651 -6.212 1.00 0.00 C ATOM 549 C LEU A 34 -21.197 -0.190 -5.776 1.00 0.00 C ATOM 550 O LEU A 34 -20.212 0.441 -6.106 1.00 0.00 O ATOM 551 CB LEU A 34 -20.043 -2.266 -6.646 1.00 0.00 C ATOM 552 CG LEU A 34 -19.734 -3.529 -5.824 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.530 -3.147 -4.358 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.888 -4.538 -5.943 1.00 0.00 C ATOM 0 H LEU A 34 -21.835 -2.164 -8.244 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.824 -2.173 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.076 -2.515 -7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.244 -1.536 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.825 -3.990 -6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.311 -4.042 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.697 -2.448 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.436 -2.678 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.656 -5.427 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.807 -4.086 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.021 -4.817 -6.988 1.00 0.00 H new ATOM 566 N SER A 35 -22.139 0.347 -5.042 1.00 0.00 N ATOM 567 CA SER A 35 -22.024 1.766 -4.581 1.00 0.00 C ATOM 568 C SER A 35 -20.912 1.888 -3.537 1.00 0.00 C ATOM 569 O SER A 35 -20.389 0.897 -3.062 1.00 0.00 O ATOM 570 CB SER A 35 -23.381 2.099 -3.960 1.00 0.00 C ATOM 571 OG SER A 35 -23.297 3.350 -3.289 1.00 0.00 O ATOM 0 H SER A 35 -22.985 -0.137 -4.741 1.00 0.00 H new ATOM 0 HA SER A 35 -21.776 2.446 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 35 -24.148 2.139 -4.734 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.675 1.317 -3.260 1.00 0.00 H new ATOM 0 HG SER A 35 -24.166 3.567 -2.891 1.00 0.00 H new ATOM 577 N ILE A 36 -20.544 3.095 -3.171 1.00 0.00 N ATOM 578 CA ILE A 36 -19.458 3.282 -2.150 1.00 0.00 C ATOM 579 C ILE A 36 -19.770 2.468 -0.887 1.00 0.00 C ATOM 580 O ILE A 36 -18.876 2.021 -0.192 1.00 0.00 O ATOM 581 CB ILE A 36 -19.444 4.788 -1.836 1.00 0.00 C ATOM 582 CG1 ILE A 36 -19.029 5.578 -3.089 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.456 5.075 -0.695 1.00 0.00 C ATOM 584 CD1 ILE A 36 -17.627 5.156 -3.547 1.00 0.00 C ATOM 0 H ILE A 36 -20.948 3.958 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.490 2.940 -2.517 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.444 5.096 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.748 5.405 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -19.042 6.646 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.451 6.143 -0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.759 4.525 0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.456 4.761 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.348 5.724 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.910 5.352 -2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.626 4.092 -3.782 1.00 0.00 H new ATOM 596 N GLY A 37 -21.029 2.274 -0.593 1.00 0.00 N ATOM 597 CA GLY A 37 -21.408 1.490 0.617 1.00 0.00 C ATOM 598 C GLY A 37 -20.836 0.077 0.504 1.00 0.00 C ATOM 599 O GLY A 37 -19.969 -0.310 1.260 1.00 0.00 O ATOM 0 H GLY A 37 -21.813 2.627 -1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.027 1.978 1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.493 1.449 0.712 1.00 0.00 H new ATOM 603 N ASP A 38 -21.308 -0.687 -0.446 1.00 0.00 N ATOM 604 CA ASP A 38 -20.792 -2.079 -0.618 1.00 0.00 C ATOM 605 C ASP A 38 -19.348 -2.059 -1.129 1.00 0.00 C ATOM 606 O ASP A 38 -18.569 -2.938 -0.825 1.00 0.00 O ATOM 607 CB ASP A 38 -21.716 -2.725 -1.654 1.00 0.00 C ATOM 608 CG ASP A 38 -21.771 -4.235 -1.418 1.00 0.00 C ATOM 609 OD1 ASP A 38 -22.291 -4.637 -0.391 1.00 0.00 O ATOM 610 OD2 ASP A 38 -21.291 -4.966 -2.270 1.00 0.00 O ATOM 0 H ASP A 38 -22.029 -0.408 -1.111 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.786 -2.629 0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.716 -2.298 -1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.353 -2.517 -2.661 1.00 0.00 H new ATOM 615 N THR A 39 -18.982 -1.058 -1.889 1.00 0.00 N ATOM 616 CA THR A 39 -17.581 -0.983 -2.413 1.00 0.00 C ATOM 617 C THR A 39 -16.589 -0.836 -1.255 1.00 0.00 C ATOM 618 O THR A 39 -15.454 -1.269 -1.343 1.00 0.00 O ATOM 619 CB THR A 39 -17.549 0.253 -3.320 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.469 0.073 -4.386 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.143 0.445 -3.895 1.00 0.00 C ATOM 0 H THR A 39 -19.591 -0.289 -2.170 1.00 0.00 H new ATOM 0 HA THR A 39 -17.299 -1.884 -2.957 1.00 0.00 H new ATOM 0 HB THR A 39 -17.821 1.133 -2.737 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.384 0.096 -4.036 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.130 1.325 -4.538 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.432 0.580 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.865 -0.434 -4.477 1.00 0.00 H new ATOM 629 N ALA A 40 -17.009 -0.231 -0.175 1.00 0.00 N ATOM 630 CA ALA A 40 -16.092 -0.054 0.991 1.00 0.00 C ATOM 631 C ALA A 40 -15.967 -1.368 1.769 1.00 0.00 C ATOM 632 O ALA A 40 -14.885 -1.770 2.155 1.00 0.00 O ATOM 633 CB ALA A 40 -16.748 1.021 1.858 1.00 0.00 C ATOM 0 H ALA A 40 -17.947 0.148 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.086 0.232 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.131 1.206 2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.847 1.942 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.735 0.682 2.173 1.00 0.00 H new ATOM 639 N LYS A 41 -17.070 -2.031 2.010 1.00 0.00 N ATOM 640 CA LYS A 41 -17.025 -3.315 2.776 1.00 0.00 C ATOM 641 C LYS A 41 -16.742 -4.516 1.856 1.00 0.00 C ATOM 642 O LYS A 41 -16.425 -5.593 2.330 1.00 0.00 O ATOM 643 CB LYS A 41 -18.398 -3.443 3.454 1.00 0.00 C ATOM 644 CG LYS A 41 -19.511 -3.598 2.409 1.00 0.00 C ATOM 645 CD LYS A 41 -20.857 -3.204 3.031 1.00 0.00 C ATOM 646 CE LYS A 41 -20.842 -1.719 3.429 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.134 -1.705 4.891 1.00 0.00 N ATOM 0 H LYS A 41 -18.000 -1.739 1.710 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.216 -3.309 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.399 -4.304 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.589 -2.562 4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.301 -2.970 1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.550 -4.628 2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.663 -3.390 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.056 -3.821 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.875 -1.264 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.590 -1.154 2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.140 -0.723 5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.064 -2.138 5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.402 -2.244 5.396 1.00 0.00 H new ATOM 661 N LYS A 42 -16.841 -4.350 0.555 1.00 0.00 N ATOM 662 CA LYS A 42 -16.561 -5.498 -0.366 1.00 0.00 C ATOM 663 C LYS A 42 -15.050 -5.711 -0.481 1.00 0.00 C ATOM 664 O LYS A 42 -14.540 -6.768 -0.162 1.00 0.00 O ATOM 665 CB LYS A 42 -17.164 -5.098 -1.719 1.00 0.00 C ATOM 666 CG LYS A 42 -16.920 -6.203 -2.755 1.00 0.00 C ATOM 667 CD LYS A 42 -17.589 -7.505 -2.295 1.00 0.00 C ATOM 668 CE LYS A 42 -18.206 -8.221 -3.498 1.00 0.00 C ATOM 669 NZ LYS A 42 -17.915 -9.665 -3.276 1.00 0.00 N ATOM 0 H LYS A 42 -17.101 -3.477 0.096 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.990 -6.433 -0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.234 -4.921 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.719 -4.164 -2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.319 -5.901 -3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.850 -6.360 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.856 -8.151 -1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.359 -7.288 -1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.279 -8.039 -3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.770 -7.869 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.307 -10.223 -4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.886 -9.809 -3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.348 -9.973 -2.382 1.00 0.00 H new ATOM 683 N LEU A 43 -14.330 -4.713 -0.939 1.00 0.00 N ATOM 684 CA LEU A 43 -12.840 -4.842 -1.089 1.00 0.00 C ATOM 685 C LEU A 43 -12.194 -5.411 0.184 1.00 0.00 C ATOM 686 O LEU A 43 -11.138 -6.014 0.132 1.00 0.00 O ATOM 687 CB LEU A 43 -12.341 -3.417 -1.340 1.00 0.00 C ATOM 688 CG LEU A 43 -12.768 -2.964 -2.737 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.681 -1.440 -2.829 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.837 -3.591 -3.778 1.00 0.00 C ATOM 0 H LEU A 43 -14.711 -3.809 -1.217 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.581 -5.526 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.746 -2.741 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.255 -3.380 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.794 -3.280 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.985 -1.118 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.340 -0.992 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.655 -1.122 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.138 -3.271 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.812 -3.272 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.897 -4.677 -3.712 1.00 0.00 H new ATOM 702 N GLY A 44 -12.826 -5.236 1.319 1.00 0.00 N ATOM 703 CA GLY A 44 -12.255 -5.779 2.586 1.00 0.00 C ATOM 704 C GLY A 44 -12.376 -7.304 2.575 1.00 0.00 C ATOM 705 O GLY A 44 -11.505 -8.009 3.046 1.00 0.00 O ATOM 0 H GLY A 44 -13.712 -4.741 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.210 -5.485 2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.784 -5.366 3.445 1.00 0.00 H new ATOM 709 N GLU A 45 -13.456 -7.815 2.036 1.00 0.00 N ATOM 710 CA GLU A 45 -13.656 -9.301 1.983 1.00 0.00 C ATOM 711 C GLU A 45 -12.454 -9.988 1.321 1.00 0.00 C ATOM 712 O GLU A 45 -12.035 -11.054 1.729 1.00 0.00 O ATOM 713 CB GLU A 45 -14.914 -9.506 1.133 1.00 0.00 C ATOM 714 CG GLU A 45 -15.741 -10.655 1.710 1.00 0.00 C ATOM 715 CD GLU A 45 -17.093 -10.718 0.997 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.107 -11.055 -0.176 1.00 0.00 O ATOM 717 OE2 GLU A 45 -18.092 -10.429 1.635 1.00 0.00 O ATOM 0 H GLU A 45 -14.212 -7.266 1.628 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.756 -9.730 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.506 -8.591 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.637 -9.726 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.209 -11.598 1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.889 -10.510 2.780 1.00 0.00 H new ATOM 724 N MET A 46 -11.899 -9.376 0.304 1.00 0.00 N ATOM 725 CA MET A 46 -10.721 -9.981 -0.388 1.00 0.00 C ATOM 726 C MET A 46 -9.462 -9.781 0.458 1.00 0.00 C ATOM 727 O MET A 46 -8.713 -10.706 0.704 1.00 0.00 O ATOM 728 CB MET A 46 -10.604 -9.229 -1.714 1.00 0.00 C ATOM 729 CG MET A 46 -11.795 -9.582 -2.608 1.00 0.00 C ATOM 730 SD MET A 46 -11.406 -9.165 -4.325 1.00 0.00 S ATOM 731 CE MET A 46 -10.932 -10.826 -4.861 1.00 0.00 C ATOM 0 H MET A 46 -12.212 -8.483 -0.076 1.00 0.00 H new ATOM 0 HA MET A 46 -10.837 -11.054 -0.543 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.577 -8.154 -1.534 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.671 -9.492 -2.212 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.024 -10.644 -2.524 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.682 -9.038 -2.282 1.00 0.00 H new ATOM 0 HE1 MET A 46 -10.648 -10.802 -5.913 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.088 -11.173 -4.265 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.774 -11.505 -4.728 1.00 0.00 H new ATOM 741 N TRP A 47 -9.223 -8.569 0.899 1.00 0.00 N ATOM 742 CA TRP A 47 -8.007 -8.281 1.731 1.00 0.00 C ATOM 743 C TRP A 47 -7.883 -9.279 2.891 1.00 0.00 C ATOM 744 O TRP A 47 -6.857 -9.909 3.069 1.00 0.00 O ATOM 745 CB TRP A 47 -8.218 -6.866 2.270 1.00 0.00 C ATOM 746 CG TRP A 47 -6.954 -6.380 2.902 1.00 0.00 C ATOM 747 CD1 TRP A 47 -6.808 -6.073 4.212 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.658 -6.141 2.279 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.507 -5.659 4.432 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.759 -5.685 3.272 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.182 -6.274 0.963 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.433 -5.372 2.969 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.847 -5.960 0.655 1.00 0.00 C ATOM 754 CH2 TRP A 47 -2.976 -5.510 1.656 1.00 0.00 C ATOM 0 H TRP A 47 -9.820 -7.762 0.719 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.091 -8.369 1.146 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.513 -6.198 1.461 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.028 -6.860 3.000 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.581 -6.140 4.963 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.144 -5.370 5.340 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.846 -6.619 0.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.765 -5.026 3.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.491 -6.066 -0.359 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.952 -5.270 1.413 1.00 0.00 H new ATOM 765 N SER A 48 -8.919 -9.422 3.681 1.00 0.00 N ATOM 766 CA SER A 48 -8.862 -10.377 4.834 1.00 0.00 C ATOM 767 C SER A 48 -8.585 -11.799 4.338 1.00 0.00 C ATOM 768 O SER A 48 -7.887 -12.562 4.979 1.00 0.00 O ATOM 769 CB SER A 48 -10.244 -10.302 5.488 1.00 0.00 C ATOM 770 OG SER A 48 -10.231 -11.046 6.698 1.00 0.00 O ATOM 0 H SER A 48 -9.801 -8.920 3.578 1.00 0.00 H new ATOM 0 HA SER A 48 -8.065 -10.123 5.533 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.508 -9.264 5.689 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.001 -10.699 4.812 1.00 0.00 H new ATOM 0 HG SER A 48 -11.114 -10.999 7.120 1.00 0.00 H new ATOM 776 N GLU A 49 -9.125 -12.155 3.200 1.00 0.00 N ATOM 777 CA GLU A 49 -8.893 -13.530 2.655 1.00 0.00 C ATOM 778 C GLU A 49 -7.402 -13.739 2.375 1.00 0.00 C ATOM 779 O GLU A 49 -6.860 -14.801 2.614 1.00 0.00 O ATOM 780 CB GLU A 49 -9.698 -13.588 1.353 1.00 0.00 C ATOM 781 CG GLU A 49 -11.022 -14.317 1.598 1.00 0.00 C ATOM 782 CD GLU A 49 -10.752 -15.803 1.837 1.00 0.00 C ATOM 783 OE1 GLU A 49 -10.419 -16.152 2.958 1.00 0.00 O ATOM 784 OE2 GLU A 49 -10.883 -16.567 0.895 1.00 0.00 O ATOM 0 H GLU A 49 -9.716 -11.555 2.624 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.200 -14.308 3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.889 -12.579 0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.125 -14.103 0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.532 -13.886 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.683 -14.190 0.740 1.00 0.00 H new ATOM 791 N GLN A 50 -6.738 -12.729 1.869 1.00 0.00 N ATOM 792 CA GLN A 50 -5.275 -12.856 1.568 1.00 0.00 C ATOM 793 C GLN A 50 -4.499 -13.242 2.829 1.00 0.00 C ATOM 794 O GLN A 50 -4.914 -12.962 3.937 1.00 0.00 O ATOM 795 CB GLN A 50 -4.844 -11.470 1.080 1.00 0.00 C ATOM 796 CG GLN A 50 -5.510 -11.172 -0.264 1.00 0.00 C ATOM 797 CD GLN A 50 -4.671 -11.771 -1.395 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.284 -12.921 -1.335 1.00 0.00 O ATOM 799 NE2 GLN A 50 -4.373 -11.035 -2.429 1.00 0.00 N ATOM 0 H GLN A 50 -7.145 -11.820 1.650 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.078 -13.630 0.827 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.123 -10.712 1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.760 -11.430 0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.517 -11.590 -0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.609 -10.095 -0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.698 -10.070 -2.479 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.815 -11.425 -3.188 1.00 0.00 H new ATOM 808 N SER A 51 -3.369 -13.878 2.659 1.00 0.00 N ATOM 809 CA SER A 51 -2.545 -14.285 3.833 1.00 0.00 C ATOM 810 C SER A 51 -1.372 -13.311 3.996 1.00 0.00 C ATOM 811 O SER A 51 -1.466 -12.157 3.623 1.00 0.00 O ATOM 812 CB SER A 51 -2.052 -15.692 3.494 1.00 0.00 C ATOM 813 OG SER A 51 -3.153 -16.485 3.068 1.00 0.00 O ATOM 0 H SER A 51 -2.980 -14.134 1.751 1.00 0.00 H new ATOM 0 HA SER A 51 -3.100 -14.272 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.297 -15.646 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.579 -16.144 4.366 1.00 0.00 H new ATOM 0 HG SER A 51 -2.840 -17.387 2.848 1.00 0.00 H new ATOM 819 N ALA A 52 -0.272 -13.761 4.545 1.00 0.00 N ATOM 820 CA ALA A 52 0.903 -12.858 4.723 1.00 0.00 C ATOM 821 C ALA A 52 1.770 -12.866 3.460 1.00 0.00 C ATOM 822 O ALA A 52 2.965 -13.091 3.520 1.00 0.00 O ATOM 823 CB ALA A 52 1.672 -13.436 5.911 1.00 0.00 C ATOM 0 H ALA A 52 -0.138 -14.716 4.878 1.00 0.00 H new ATOM 0 HA ALA A 52 0.608 -11.823 4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.554 -12.825 6.106 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.031 -13.439 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.981 -14.456 5.683 1.00 0.00 H new ATOM 829 N LYS A 53 1.177 -12.623 2.316 1.00 0.00 N ATOM 830 CA LYS A 53 1.962 -12.616 1.045 1.00 0.00 C ATOM 831 C LYS A 53 1.617 -11.371 0.222 1.00 0.00 C ATOM 832 O LYS A 53 2.488 -10.636 -0.203 1.00 0.00 O ATOM 833 CB LYS A 53 1.534 -13.892 0.304 1.00 0.00 C ATOM 834 CG LYS A 53 2.760 -14.763 0.016 1.00 0.00 C ATOM 835 CD LYS A 53 2.417 -15.782 -1.072 1.00 0.00 C ATOM 836 CE LYS A 53 3.622 -16.693 -1.317 1.00 0.00 C ATOM 837 NZ LYS A 53 4.529 -15.903 -2.194 1.00 0.00 N ATOM 0 H LYS A 53 0.181 -12.429 2.209 1.00 0.00 H new ATOM 0 HA LYS A 53 3.037 -12.593 1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.815 -14.448 0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.035 -13.631 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.595 -14.140 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.076 -15.277 0.924 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.554 -16.376 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.143 -15.268 -1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.112 -16.960 -0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.322 -17.625 -1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.544 -16.322 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.188 -14.922 -2.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.490 -15.912 -1.797 1.00 0.00 H new ATOM 851 N ASP A 54 0.349 -11.137 -0.004 1.00 0.00 N ATOM 852 CA ASP A 54 -0.067 -9.942 -0.802 1.00 0.00 C ATOM 853 C ASP A 54 0.303 -8.650 -0.065 1.00 0.00 C ATOM 854 O ASP A 54 0.478 -7.611 -0.675 1.00 0.00 O ATOM 855 CB ASP A 54 -1.586 -10.061 -0.943 1.00 0.00 C ATOM 856 CG ASP A 54 -2.074 -9.119 -2.046 1.00 0.00 C ATOM 857 OD1 ASP A 54 -1.858 -9.435 -3.204 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.654 -8.099 -1.713 1.00 0.00 O ATOM 0 H ASP A 54 -0.417 -11.722 0.330 1.00 0.00 H new ATOM 0 HA ASP A 54 0.430 -9.907 -1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.860 -11.089 -1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.070 -9.813 0.002 1.00 0.00 H new ATOM 863 N LYS A 55 0.420 -8.707 1.238 1.00 0.00 N ATOM 864 CA LYS A 55 0.777 -7.481 2.013 1.00 0.00 C ATOM 865 C LYS A 55 2.287 -7.237 1.966 1.00 0.00 C ATOM 866 O LYS A 55 2.733 -6.111 1.945 1.00 0.00 O ATOM 867 CB LYS A 55 0.328 -7.765 3.449 1.00 0.00 C ATOM 868 CG LYS A 55 0.587 -6.535 4.323 1.00 0.00 C ATOM 869 CD LYS A 55 -0.188 -6.668 5.636 1.00 0.00 C ATOM 870 CE LYS A 55 0.490 -5.824 6.717 1.00 0.00 C ATOM 871 NZ LYS A 55 0.072 -4.424 6.430 1.00 0.00 N ATOM 0 H LYS A 55 0.284 -9.549 1.797 1.00 0.00 H new ATOM 0 HA LYS A 55 0.299 -6.591 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.732 -8.018 3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.867 -8.625 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.654 -6.438 4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.280 -5.631 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.218 -6.341 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.224 -7.713 5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.176 -6.133 7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.574 -5.928 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.151 -3.854 7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.687 -4.022 5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.914 -4.417 6.099 1.00 0.00 H new ATOM 885 N GLN A 56 3.075 -8.287 1.965 1.00 0.00 N ATOM 886 CA GLN A 56 4.574 -8.136 1.938 1.00 0.00 C ATOM 887 C GLN A 56 5.031 -7.069 0.919 1.00 0.00 C ATOM 888 O GLN A 56 5.770 -6.173 1.272 1.00 0.00 O ATOM 889 CB GLN A 56 5.101 -9.516 1.534 1.00 0.00 C ATOM 890 CG GLN A 56 5.552 -10.283 2.781 1.00 0.00 C ATOM 891 CD GLN A 56 6.818 -9.638 3.349 1.00 0.00 C ATOM 892 OE1 GLN A 56 6.743 -8.757 4.181 1.00 0.00 O ATOM 893 NE2 GLN A 56 7.985 -10.043 2.929 1.00 0.00 N ATOM 0 H GLN A 56 2.745 -9.252 1.982 1.00 0.00 H new ATOM 0 HA GLN A 56 4.953 -7.805 2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.323 -10.075 1.013 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.935 -9.409 0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.761 -10.277 3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.744 -11.326 2.529 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.047 -10.783 2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.836 -9.619 3.300 1.00 0.00 H new ATOM 902 N PRO A 57 4.584 -7.192 -0.312 1.00 0.00 N ATOM 903 CA PRO A 57 4.974 -6.206 -1.349 1.00 0.00 C ATOM 904 C PRO A 57 4.160 -4.912 -1.213 1.00 0.00 C ATOM 905 O PRO A 57 4.661 -3.829 -1.444 1.00 0.00 O ATOM 906 CB PRO A 57 4.632 -6.907 -2.657 1.00 0.00 C ATOM 907 CG PRO A 57 3.548 -7.876 -2.308 1.00 0.00 C ATOM 908 CD PRO A 57 3.703 -8.237 -0.854 1.00 0.00 C ATOM 0 HA PRO A 57 6.022 -5.916 -1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.296 -6.194 -3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.501 -7.420 -3.069 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.568 -7.434 -2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.617 -8.767 -2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.740 -8.250 -0.343 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.141 -9.228 -0.735 1.00 0.00 H new ATOM 916 N TYR A 58 2.900 -5.021 -0.871 1.00 0.00 N ATOM 917 CA TYR A 58 2.037 -3.801 -0.754 1.00 0.00 C ATOM 918 C TYR A 58 2.163 -3.131 0.627 1.00 0.00 C ATOM 919 O TYR A 58 1.462 -2.178 0.912 1.00 0.00 O ATOM 920 CB TYR A 58 0.604 -4.313 -0.972 1.00 0.00 C ATOM 921 CG TYR A 58 -0.073 -3.500 -2.052 1.00 0.00 C ATOM 922 CD1 TYR A 58 0.167 -3.792 -3.400 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.940 -2.458 -1.705 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.460 -3.041 -4.402 1.00 0.00 C ATOM 925 CE2 TYR A 58 -1.568 -1.707 -2.708 1.00 0.00 C ATOM 926 CZ TYR A 58 -1.327 -1.998 -4.055 1.00 0.00 C ATOM 927 OH TYR A 58 -1.945 -1.257 -5.042 1.00 0.00 O ATOM 0 H TYR A 58 2.430 -5.903 -0.667 1.00 0.00 H new ATOM 0 HA TYR A 58 2.330 -3.040 -1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.623 -5.365 -1.255 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.038 -4.243 -0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.836 -4.597 -3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.125 -2.233 -0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.275 -3.266 -5.442 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.238 -0.903 -2.441 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.514 -0.574 -4.630 1.00 0.00 H new ATOM 937 N GLU A 59 3.036 -3.608 1.483 1.00 0.00 N ATOM 938 CA GLU A 59 3.177 -2.975 2.834 1.00 0.00 C ATOM 939 C GLU A 59 4.405 -2.053 2.872 1.00 0.00 C ATOM 940 O GLU A 59 4.471 -1.132 3.665 1.00 0.00 O ATOM 941 CB GLU A 59 3.323 -4.143 3.823 1.00 0.00 C ATOM 942 CG GLU A 59 4.617 -4.925 3.545 1.00 0.00 C ATOM 943 CD GLU A 59 5.601 -4.733 4.703 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.374 -5.315 5.751 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.564 -4.005 4.522 1.00 0.00 O ATOM 0 H GLU A 59 3.652 -4.402 1.307 1.00 0.00 H new ATOM 0 HA GLU A 59 2.319 -2.351 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.333 -3.763 4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.464 -4.808 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.392 -5.984 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.067 -4.582 2.613 1.00 0.00 H new ATOM 952 N GLN A 60 5.372 -2.292 2.019 1.00 0.00 N ATOM 953 CA GLN A 60 6.592 -1.426 2.003 1.00 0.00 C ATOM 954 C GLN A 60 6.277 -0.073 1.342 1.00 0.00 C ATOM 955 O GLN A 60 6.946 0.914 1.583 1.00 0.00 O ATOM 956 CB GLN A 60 7.641 -2.213 1.196 1.00 0.00 C ATOM 957 CG GLN A 60 7.213 -2.342 -0.272 1.00 0.00 C ATOM 958 CD GLN A 60 8.101 -3.370 -0.974 1.00 0.00 C ATOM 959 OE1 GLN A 60 7.791 -4.544 -0.996 1.00 0.00 O ATOM 960 NE2 GLN A 60 9.202 -2.975 -1.554 1.00 0.00 N ATOM 0 H GLN A 60 5.369 -3.048 1.334 1.00 0.00 H new ATOM 0 HA GLN A 60 6.953 -1.202 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.606 -1.709 1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.772 -3.204 1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.168 -2.647 -0.332 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.292 -1.376 -0.771 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.463 -1.989 -1.536 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.801 -3.652 -2.025 1.00 0.00 H new ATOM 969 N LYS A 61 5.260 -0.028 0.514 1.00 0.00 N ATOM 970 CA LYS A 61 4.893 1.254 -0.164 1.00 0.00 C ATOM 971 C LYS A 61 4.538 2.319 0.878 1.00 0.00 C ATOM 972 O LYS A 61 4.928 3.466 0.757 1.00 0.00 O ATOM 973 CB LYS A 61 3.675 0.910 -1.033 1.00 0.00 C ATOM 974 CG LYS A 61 3.172 2.163 -1.755 1.00 0.00 C ATOM 975 CD LYS A 61 2.356 1.751 -2.981 1.00 0.00 C ATOM 976 CE LYS A 61 2.147 2.967 -3.887 1.00 0.00 C ATOM 977 NZ LYS A 61 1.355 2.456 -5.040 1.00 0.00 N ATOM 0 H LYS A 61 4.668 -0.825 0.279 1.00 0.00 H new ATOM 0 HA LYS A 61 5.711 1.659 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.943 0.144 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.881 0.495 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.559 2.763 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.015 2.784 -2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.873 0.962 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.393 1.345 -2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.615 3.762 -3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.099 3.383 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.171 3.233 -5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.889 1.705 -5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.451 2.073 -4.697 1.00 0.00 H new ATOM 991 N ALA A 62 3.813 1.948 1.902 1.00 0.00 N ATOM 992 CA ALA A 62 3.444 2.940 2.957 1.00 0.00 C ATOM 993 C ALA A 62 4.660 3.275 3.831 1.00 0.00 C ATOM 994 O ALA A 62 4.633 4.219 4.599 1.00 0.00 O ATOM 995 CB ALA A 62 2.357 2.259 3.789 1.00 0.00 C ATOM 0 H ALA A 62 3.461 1.003 2.053 1.00 0.00 H new ATOM 0 HA ALA A 62 3.098 3.880 2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.035 2.929 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.507 2.020 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.753 1.342 4.224 1.00 0.00 H new ATOM 1001 N ALA A 63 5.732 2.524 3.712 1.00 0.00 N ATOM 1002 CA ALA A 63 6.948 2.818 4.526 1.00 0.00 C ATOM 1003 C ALA A 63 7.797 3.906 3.847 1.00 0.00 C ATOM 1004 O ALA A 63 8.854 4.264 4.332 1.00 0.00 O ATOM 1005 CB ALA A 63 7.717 1.498 4.582 1.00 0.00 C ATOM 0 H ALA A 63 5.813 1.723 3.086 1.00 0.00 H new ATOM 0 HA ALA A 63 6.697 3.187 5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.628 1.632 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.096 0.734 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.977 1.185 3.571 1.00 0.00 H new ATOM 1011 N LYS A 64 7.341 4.442 2.735 1.00 0.00 N ATOM 1012 CA LYS A 64 8.112 5.510 2.037 1.00 0.00 C ATOM 1013 C LYS A 64 7.443 6.862 2.266 1.00 0.00 C ATOM 1014 O LYS A 64 8.095 7.887 2.341 1.00 0.00 O ATOM 1015 CB LYS A 64 8.048 5.132 0.559 1.00 0.00 C ATOM 1016 CG LYS A 64 9.034 3.997 0.275 1.00 0.00 C ATOM 1017 CD LYS A 64 10.465 4.496 0.487 1.00 0.00 C ATOM 1018 CE LYS A 64 11.436 3.616 -0.303 1.00 0.00 C ATOM 1019 NZ LYS A 64 11.759 2.485 0.610 1.00 0.00 N ATOM 0 H LYS A 64 6.464 4.180 2.284 1.00 0.00 H new ATOM 0 HA LYS A 64 9.138 5.590 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.036 4.822 0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.287 5.998 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.831 3.152 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.910 3.641 -0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.551 5.533 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.716 4.472 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.983 3.260 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.334 4.169 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.421 1.837 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.195 2.854 1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.886 1.973 0.851 1.00 0.00 H new ATOM 1033 N LEU A 65 6.143 6.862 2.390 1.00 0.00 N ATOM 1034 CA LEU A 65 5.405 8.136 2.632 1.00 0.00 C ATOM 1035 C LEU A 65 5.410 8.491 4.129 1.00 0.00 C ATOM 1036 O LEU A 65 4.837 9.486 4.533 1.00 0.00 O ATOM 1037 CB LEU A 65 3.979 7.861 2.151 1.00 0.00 C ATOM 1038 CG LEU A 65 3.902 8.070 0.638 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.421 6.822 -0.077 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.448 8.321 0.233 1.00 0.00 C ATOM 0 H LEU A 65 5.557 6.029 2.334 1.00 0.00 H new ATOM 0 HA LEU A 65 5.861 8.978 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.689 6.841 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.279 8.526 2.657 1.00 0.00 H new ATOM 0 HG LEU A 65 4.512 8.929 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.366 6.971 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.456 6.641 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.811 5.963 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.391 8.470 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.839 7.462 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.077 9.210 0.742 1.00 0.00 H new ATOM 1052 N LYS A 66 6.056 7.695 4.952 1.00 0.00 N ATOM 1053 CA LYS A 66 6.102 7.996 6.413 1.00 0.00 C ATOM 1054 C LYS A 66 7.350 8.823 6.725 1.00 0.00 C ATOM 1055 O LYS A 66 7.351 9.655 7.613 1.00 0.00 O ATOM 1056 CB LYS A 66 6.173 6.632 7.098 1.00 0.00 C ATOM 1057 CG LYS A 66 5.799 6.781 8.574 1.00 0.00 C ATOM 1058 CD LYS A 66 5.597 5.394 9.192 1.00 0.00 C ATOM 1059 CE LYS A 66 5.274 5.540 10.680 1.00 0.00 C ATOM 1060 NZ LYS A 66 4.859 4.177 11.118 1.00 0.00 N ATOM 0 H LYS A 66 6.553 6.850 4.670 1.00 0.00 H new ATOM 0 HA LYS A 66 5.240 8.570 6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.495 5.932 6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.178 6.219 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.584 7.317 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.887 7.371 8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.787 4.872 8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.496 4.792 9.062 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.142 5.888 11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.478 6.267 10.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.621 4.195 12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.027 3.875 10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.639 3.508 10.958 1.00 0.00 H new ATOM 1074 N GLU A 67 8.410 8.603 5.988 1.00 0.00 N ATOM 1075 CA GLU A 67 9.666 9.378 6.220 1.00 0.00 C ATOM 1076 C GLU A 67 9.607 10.730 5.495 1.00 0.00 C ATOM 1077 O GLU A 67 10.409 11.608 5.747 1.00 0.00 O ATOM 1078 CB GLU A 67 10.780 8.504 5.644 1.00 0.00 C ATOM 1079 CG GLU A 67 11.194 7.457 6.678 1.00 0.00 C ATOM 1080 CD GLU A 67 12.457 6.736 6.200 1.00 0.00 C ATOM 1081 OE1 GLU A 67 13.496 7.374 6.152 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.362 5.560 5.890 1.00 0.00 O ATOM 0 H GLU A 67 8.459 7.918 5.234 1.00 0.00 H new ATOM 0 HA GLU A 67 9.824 9.599 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.438 8.014 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.637 9.121 5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.378 7.934 7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.387 6.739 6.827 1.00 0.00 H new ATOM 1089 N LYS A 68 8.655 10.909 4.608 1.00 0.00 N ATOM 1090 CA LYS A 68 8.533 12.206 3.880 1.00 0.00 C ATOM 1091 C LYS A 68 7.351 13.000 4.446 1.00 0.00 C ATOM 1092 O LYS A 68 7.339 14.215 4.419 1.00 0.00 O ATOM 1093 CB LYS A 68 8.277 11.822 2.422 1.00 0.00 C ATOM 1094 CG LYS A 68 9.610 11.723 1.679 1.00 0.00 C ATOM 1095 CD LYS A 68 10.276 10.383 2.000 1.00 0.00 C ATOM 1096 CE LYS A 68 11.704 10.378 1.450 1.00 0.00 C ATOM 1097 NZ LYS A 68 11.548 10.201 -0.021 1.00 0.00 N ATOM 0 H LYS A 68 7.957 10.208 4.359 1.00 0.00 H new ATOM 0 HA LYS A 68 9.421 12.830 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.750 10.869 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.637 12.565 1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.447 11.812 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.263 12.545 1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.289 10.220 3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.703 9.566 1.562 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.220 11.309 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.292 9.570 1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.004 9.314 -0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.537 10.166 -0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.994 11.000 -0.516 1.00 0.00 H new ATOM 1111 N TYR A 69 6.365 12.312 4.965 1.00 0.00 N ATOM 1112 CA TYR A 69 5.178 13.007 5.545 1.00 0.00 C ATOM 1113 C TYR A 69 5.538 13.577 6.924 1.00 0.00 C ATOM 1114 O TYR A 69 5.366 14.751 7.181 1.00 0.00 O ATOM 1115 CB TYR A 69 4.100 11.912 5.652 1.00 0.00 C ATOM 1116 CG TYR A 69 2.907 12.400 6.451 1.00 0.00 C ATOM 1117 CD1 TYR A 69 2.284 13.610 6.124 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.428 11.635 7.522 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.182 14.054 6.866 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.328 12.079 8.264 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.705 13.288 7.937 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.380 13.726 8.668 1.00 0.00 O ATOM 0 H TYR A 69 6.332 11.294 5.011 1.00 0.00 H new ATOM 0 HA TYR A 69 4.834 13.847 4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.777 11.616 4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.522 11.026 6.126 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.653 14.202 5.299 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.908 10.701 7.775 1.00 0.00 H new ATOM 0 HE1 TYR A 69 0.700 14.987 6.612 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.960 11.488 9.090 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.582 13.077 9.374 1.00 0.00 H new ATOM 1132 N GLU A 70 6.029 12.747 7.808 1.00 0.00 N ATOM 1133 CA GLU A 70 6.392 13.232 9.179 1.00 0.00 C ATOM 1134 C GLU A 70 7.533 14.258 9.125 1.00 0.00 C ATOM 1135 O GLU A 70 7.797 14.940 10.099 1.00 0.00 O ATOM 1136 CB GLU A 70 6.838 11.982 9.941 1.00 0.00 C ATOM 1137 CG GLU A 70 5.614 11.130 10.286 1.00 0.00 C ATOM 1138 CD GLU A 70 6.017 10.030 11.270 1.00 0.00 C ATOM 1139 OE1 GLU A 70 5.988 10.288 12.462 1.00 0.00 O ATOM 1140 OE2 GLU A 70 6.350 8.948 10.815 1.00 0.00 O ATOM 0 H GLU A 70 6.195 11.754 7.642 1.00 0.00 H new ATOM 0 HA GLU A 70 5.551 13.733 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.537 11.405 9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.364 12.267 10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.834 11.755 10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.199 10.688 9.380 1.00 0.00 H new ATOM 1147 N LYS A 71 8.218 14.367 8.012 1.00 0.00 N ATOM 1148 CA LYS A 71 9.347 15.344 7.922 1.00 0.00 C ATOM 1149 C LYS A 71 8.965 16.552 7.058 1.00 0.00 C ATOM 1150 O LYS A 71 9.467 17.643 7.258 1.00 0.00 O ATOM 1151 CB LYS A 71 10.487 14.562 7.270 1.00 0.00 C ATOM 1152 CG LYS A 71 11.828 15.112 7.758 1.00 0.00 C ATOM 1153 CD LYS A 71 12.935 14.097 7.463 1.00 0.00 C ATOM 1154 CE LYS A 71 12.902 12.984 8.513 1.00 0.00 C ATOM 1155 NZ LYS A 71 14.277 12.412 8.509 1.00 0.00 N ATOM 0 H LYS A 71 8.045 13.824 7.166 1.00 0.00 H new ATOM 0 HA LYS A 71 9.619 15.741 8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.404 13.504 7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.423 14.642 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.047 16.058 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.782 15.315 8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.800 13.676 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.907 14.590 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.640 13.376 9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.159 12.227 8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.334 11.641 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.496 12.041 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.962 13.154 8.757 1.00 0.00 H new ATOM 1169 N ASP A 72 8.103 16.367 6.089 1.00 0.00 N ATOM 1170 CA ASP A 72 7.714 17.507 5.202 1.00 0.00 C ATOM 1171 C ASP A 72 6.415 18.170 5.674 1.00 0.00 C ATOM 1172 O ASP A 72 6.244 19.368 5.536 1.00 0.00 O ATOM 1173 CB ASP A 72 7.521 16.882 3.821 1.00 0.00 C ATOM 1174 CG ASP A 72 7.576 17.977 2.753 1.00 0.00 C ATOM 1175 OD1 ASP A 72 8.636 18.555 2.580 1.00 0.00 O ATOM 1176 OD2 ASP A 72 6.557 18.218 2.127 1.00 0.00 O ATOM 0 H ASP A 72 7.652 15.478 5.874 1.00 0.00 H new ATOM 0 HA ASP A 72 8.471 18.291 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.296 16.139 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.564 16.363 3.776 1.00 0.00 H new ATOM 1181 N ILE A 73 5.494 17.411 6.215 1.00 0.00 N ATOM 1182 CA ILE A 73 4.204 18.016 6.674 1.00 0.00 C ATOM 1183 C ILE A 73 4.450 19.030 7.807 1.00 0.00 C ATOM 1184 O ILE A 73 3.652 19.920 8.033 1.00 0.00 O ATOM 1185 CB ILE A 73 3.326 16.826 7.126 1.00 0.00 C ATOM 1186 CG1 ILE A 73 1.855 17.244 7.070 1.00 0.00 C ATOM 1187 CG2 ILE A 73 3.673 16.374 8.555 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.361 17.175 5.623 1.00 0.00 C ATOM 0 H ILE A 73 5.578 16.405 6.358 1.00 0.00 H new ATOM 0 HA ILE A 73 3.707 18.580 5.885 1.00 0.00 H new ATOM 0 HB ILE A 73 3.514 15.988 6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.255 16.589 7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.738 18.256 7.458 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.035 15.536 8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.717 16.064 8.595 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.513 17.201 9.247 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.313 17.473 5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.954 17.848 5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.464 16.155 5.252 1.00 0.00 H new ATOM 1200 N ALA A 74 5.550 18.901 8.509 1.00 0.00 N ATOM 1201 CA ALA A 74 5.847 19.859 9.620 1.00 0.00 C ATOM 1202 C ALA A 74 6.082 21.259 9.051 1.00 0.00 C ATOM 1203 O ALA A 74 5.558 22.238 9.548 1.00 0.00 O ATOM 1204 CB ALA A 74 7.121 19.329 10.284 1.00 0.00 C ATOM 0 H ALA A 74 6.253 18.176 8.361 1.00 0.00 H new ATOM 0 HA ALA A 74 5.024 19.933 10.331 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.400 19.983 11.110 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.942 18.323 10.662 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.929 19.304 9.553 1.00 0.00 H new ATOM 1210 N ALA A 75 6.863 21.355 8.005 1.00 0.00 N ATOM 1211 CA ALA A 75 7.136 22.686 7.386 1.00 0.00 C ATOM 1212 C ALA A 75 6.013 23.051 6.410 1.00 0.00 C ATOM 1213 O ALA A 75 5.736 24.214 6.179 1.00 0.00 O ATOM 1214 CB ALA A 75 8.459 22.512 6.641 1.00 0.00 C ATOM 0 H ALA A 75 7.324 20.566 7.552 1.00 0.00 H new ATOM 0 HA ALA A 75 7.188 23.485 8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.730 23.450 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.240 22.229 7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.352 21.732 5.887 1.00 0.00 H new ATOM 1220 N TYR A 76 5.366 22.066 5.839 1.00 0.00 N ATOM 1221 CA TYR A 76 4.257 22.348 4.877 1.00 0.00 C ATOM 1222 C TYR A 76 3.090 23.021 5.604 1.00 0.00 C ATOM 1223 O TYR A 76 2.494 23.957 5.103 1.00 0.00 O ATOM 1224 CB TYR A 76 3.834 20.979 4.337 1.00 0.00 C ATOM 1225 CG TYR A 76 2.860 21.167 3.199 1.00 0.00 C ATOM 1226 CD1 TYR A 76 3.335 21.363 1.897 1.00 0.00 C ATOM 1227 CD2 TYR A 76 1.482 21.144 3.445 1.00 0.00 C ATOM 1228 CE1 TYR A 76 2.433 21.537 0.841 1.00 0.00 C ATOM 1229 CE2 TYR A 76 0.579 21.319 2.390 1.00 0.00 C ATOM 1230 CZ TYR A 76 1.055 21.515 1.087 1.00 0.00 C ATOM 1231 OH TYR A 76 0.164 21.686 0.047 1.00 0.00 O ATOM 0 H TYR A 76 5.558 21.077 5.998 1.00 0.00 H new ATOM 0 HA TYR A 76 4.567 23.020 4.077 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.708 20.425 3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.374 20.389 5.130 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.398 21.380 1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.116 20.991 4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.800 21.688 -0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.484 21.303 2.580 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.753 21.642 0.391 1.00 0.00 H new ATOM 1241 N ARG A 77 2.764 22.552 6.781 1.00 0.00 N ATOM 1242 CA ARG A 77 1.635 23.163 7.550 1.00 0.00 C ATOM 1243 C ARG A 77 1.973 24.609 7.922 1.00 0.00 C ATOM 1244 O ARG A 77 1.459 25.545 7.341 1.00 0.00 O ATOM 1245 CB ARG A 77 1.487 22.302 8.807 1.00 0.00 C ATOM 1246 CG ARG A 77 0.716 21.026 8.465 1.00 0.00 C ATOM 1247 CD ARG A 77 0.220 20.367 9.756 1.00 0.00 C ATOM 1248 NE ARG A 77 -0.968 19.568 9.346 1.00 0.00 N ATOM 1249 CZ ARG A 77 -0.863 18.277 9.187 1.00 0.00 C ATOM 1250 NH1 ARG A 77 -0.749 17.499 10.228 1.00 0.00 N ATOM 1251 NH2 ARG A 77 -0.872 17.766 7.987 1.00 0.00 N ATOM 0 H ARG A 77 3.230 21.772 7.244 1.00 0.00 H new ATOM 0 HA ARG A 77 0.712 23.191 6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.470 22.050 9.205 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.962 22.860 9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.128 21.261 7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.358 20.337 7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.989 19.733 10.197 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.045 21.114 10.504 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.864 20.030 9.189 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.742 17.900 11.166 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.667 16.490 10.104 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.961 18.375 7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.790 16.757 7.862 1.00 0.00 H new ATOM 1265 N ALA A 78 2.838 24.800 8.892 1.00 0.00 N ATOM 1266 CA ALA A 78 3.224 26.186 9.321 1.00 0.00 C ATOM 1267 C ALA A 78 1.977 27.012 9.660 1.00 0.00 C ATOM 1268 O ALA A 78 1.819 28.128 9.201 1.00 0.00 O ATOM 1269 CB ALA A 78 3.964 26.794 8.125 1.00 0.00 C ATOM 0 H ALA A 78 3.297 24.050 9.409 1.00 0.00 H new ATOM 0 HA ALA A 78 3.846 26.173 10.216 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.276 27.810 8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.842 26.190 7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.301 26.816 7.260 1.00 0.00 H new ATOM 1275 N LYS A 79 1.096 26.468 10.459 1.00 0.00 N ATOM 1276 CA LYS A 79 -0.143 27.209 10.835 1.00 0.00 C ATOM 1277 C LYS A 79 0.047 27.913 12.181 1.00 0.00 C ATOM 1278 O LYS A 79 -0.173 29.112 12.237 1.00 0.00 O ATOM 1279 CB LYS A 79 -1.227 26.137 10.938 1.00 0.00 C ATOM 1280 CG LYS A 79 -2.017 26.076 9.629 1.00 0.00 C ATOM 1281 CD LYS A 79 -3.150 25.057 9.767 1.00 0.00 C ATOM 1282 CE LYS A 79 -3.934 24.985 8.456 1.00 0.00 C ATOM 1283 NZ LYS A 79 -4.773 26.215 8.442 1.00 0.00 N ATOM 1284 OXT LYS A 79 0.409 27.240 13.133 1.00 0.00 O ATOM 0 H LYS A 79 1.183 25.538 10.869 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.399 27.981 10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.775 25.167 11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.897 26.362 11.768 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.424 27.059 9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.359 25.796 8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.743 24.076 10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.813 25.342 10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.264 24.954 7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.550 24.087 8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.778 25.949 8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.583 26.774 9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.544 26.782 7.600 1.00 0.00 H new TER 1298 LYS A 79