USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 892 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+ -162:sc= 1.68 (180deg=0.937!) USER MOD Single : A 2 LYS NZ :NH3+ 141:sc= 0.995 (180deg=0.641) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0328 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.555 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.173 F(o=-0.86,f=-0.17) USER MOD Single : A 14 HIS :FLIP no HE2:sc= 0.149 F(o=-0.57,f=0.15) USER MOD Single : A 19 TYR OH : rot 97:sc= -0.459! USER MOD Single : A 24 CYS SG : rot 32:sc= 0.146 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00381 USER MOD Single : A 37 ASN : amide:sc= -0.495 K(o=-0.5,f=-2.6) USER MOD Single : A 43 HIS : no HD1:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 64 TYR OH : rot -105:sc= 0.898 USER MOD Single : A 72 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.088) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0589 F(o=-1.4!,f=-0.059) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 84 SER OG : rot 71:sc= 0.784 USER MOD Single : A 85 HIS : +bothHN:sc= 1.37 K(o=1.4,f=-8.9!) USER MOD Single : A 88 HIS : no HE2:sc= 1.03 K(o=1,f=-5.5!) USER MOD Single : A 93 SER OG : rot 170:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 101 THR OG1 : rot -39:sc= 0.148 USER MOD Single : A 106 THR OG1 : rot 78:sc= 0.00292 USER MOD Single : A 107 TYR OH : rot -9:sc= 0.513 USER MOD Single : A 111 SER OG : rot -139:sc= 0.98 USER MOD Single : A 121 THR OG1 : rot 180:sc=-1.13e-05 USER MOD Single : A 130 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 133 HIS : no HD1:sc=-0.00695 X(o=-0.007,f=-0.00098) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.089 -7.072 4.961 1.00 0.00 N ATOM 2 CA MET A 1 -7.769 -6.635 3.584 1.00 0.00 C ATOM 3 C MET A 1 -8.170 -7.707 2.587 1.00 0.00 C ATOM 4 O MET A 1 -7.898 -8.887 2.800 1.00 0.00 O ATOM 5 CB MET A 1 -6.269 -6.357 3.434 1.00 0.00 C ATOM 6 CG MET A 1 -5.884 -5.902 2.029 1.00 0.00 C ATOM 7 SD MET A 1 -4.314 -6.590 1.468 1.00 0.00 S ATOM 8 CE MET A 1 -3.155 -5.768 2.550 1.00 0.00 C ATOM 0 H1 MET A 1 -8.102 -6.246 5.593 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.022 -7.531 4.972 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.368 -7.746 5.288 1.00 0.00 H new ATOM 0 HA MET A 1 -8.325 -5.719 3.387 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.974 -5.591 4.151 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.711 -7.260 3.683 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.670 -6.191 1.332 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.825 -4.814 2.009 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.143 -6.098 2.317 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.227 -4.690 2.409 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.387 -6.014 3.586 1.00 0.00 H new ATOM 20 N LYS A 2 -8.823 -7.303 1.509 1.00 0.00 N ATOM 21 CA LYS A 2 -9.125 -8.222 0.427 1.00 0.00 C ATOM 22 C LYS A 2 -8.129 -8.010 -0.699 1.00 0.00 C ATOM 23 O LYS A 2 -7.988 -6.902 -1.216 1.00 0.00 O ATOM 24 CB LYS A 2 -10.563 -8.057 -0.077 1.00 0.00 C ATOM 25 CG LYS A 2 -11.608 -8.701 0.826 1.00 0.00 C ATOM 26 CD LYS A 2 -11.866 -7.885 2.090 1.00 0.00 C ATOM 27 CE LYS A 2 -12.785 -8.615 3.067 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.187 -8.707 2.573 1.00 0.00 N ATOM 0 H LYS A 2 -9.152 -6.349 1.362 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.039 -9.241 0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.785 -6.994 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.641 -8.491 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.541 -8.815 0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.277 -9.702 1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.917 -7.666 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.313 -6.928 1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.399 -9.619 3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.775 -8.097 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.580 -9.639 2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.761 -7.963 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.200 -8.583 1.540 1.00 0.00 H new ATOM 42 N THR A 3 -7.428 -9.066 -1.058 1.00 0.00 N ATOM 43 CA THR A 3 -6.321 -8.953 -1.992 1.00 0.00 C ATOM 44 C THR A 3 -6.044 -10.289 -2.675 1.00 0.00 C ATOM 45 O THR A 3 -6.647 -11.310 -2.340 1.00 0.00 O ATOM 46 CB THR A 3 -5.044 -8.458 -1.273 1.00 0.00 C ATOM 47 OG1 THR A 3 -4.010 -8.166 -2.223 1.00 0.00 O ATOM 48 CG2 THR A 3 -4.543 -9.495 -0.276 1.00 0.00 C ATOM 0 H THR A 3 -7.603 -10.012 -0.719 1.00 0.00 H new ATOM 0 HA THR A 3 -6.603 -8.224 -2.752 1.00 0.00 H new ATOM 0 HB THR A 3 -5.300 -7.547 -0.733 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.211 -7.853 -1.751 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.644 -9.122 0.216 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.314 -9.684 0.471 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.312 -10.422 -0.801 1.00 0.00 H new ATOM 56 N THR A 4 -5.126 -10.268 -3.626 1.00 0.00 N ATOM 57 CA THR A 4 -4.807 -11.447 -4.414 1.00 0.00 C ATOM 58 C THR A 4 -3.380 -11.909 -4.131 1.00 0.00 C ATOM 59 O THR A 4 -2.503 -11.093 -3.830 1.00 0.00 O ATOM 60 CB THR A 4 -4.967 -11.177 -5.925 1.00 0.00 C ATOM 61 OG1 THR A 4 -4.173 -10.049 -6.308 1.00 0.00 O ATOM 62 CG2 THR A 4 -6.423 -10.920 -6.286 1.00 0.00 C ATOM 0 H THR A 4 -4.584 -9.440 -3.873 1.00 0.00 H new ATOM 0 HA THR A 4 -5.508 -12.230 -4.126 1.00 0.00 H new ATOM 0 HB THR A 4 -4.629 -12.063 -6.463 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.279 -9.885 -7.268 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.505 -10.733 -7.357 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.022 -11.792 -6.023 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.786 -10.051 -5.737 1.00 0.00 H new ATOM 70 N PRO A 5 -3.131 -13.227 -4.219 1.00 0.00 N ATOM 71 CA PRO A 5 -1.802 -13.805 -3.998 1.00 0.00 C ATOM 72 C PRO A 5 -0.740 -13.178 -4.901 1.00 0.00 C ATOM 73 O PRO A 5 0.413 -13.011 -4.496 1.00 0.00 O ATOM 74 CB PRO A 5 -1.980 -15.295 -4.331 1.00 0.00 C ATOM 75 CG PRO A 5 -3.297 -15.400 -5.026 1.00 0.00 C ATOM 76 CD PRO A 5 -4.131 -14.259 -4.524 1.00 0.00 C ATOM 0 HA PRO A 5 -1.454 -13.630 -2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.171 -15.653 -4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.965 -15.903 -3.426 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.171 -15.343 -6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.775 -16.355 -4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.845 -13.920 -5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.706 -14.537 -3.641 1.00 0.00 H new ATOM 84 N ASP A 6 -1.145 -12.824 -6.117 1.00 0.00 N ATOM 85 CA ASP A 6 -0.252 -12.181 -7.074 1.00 0.00 C ATOM 86 C ASP A 6 0.290 -10.871 -6.515 1.00 0.00 C ATOM 87 O ASP A 6 1.491 -10.616 -6.564 1.00 0.00 O ATOM 88 CB ASP A 6 -0.978 -11.928 -8.391 1.00 0.00 C ATOM 89 CG ASP A 6 -0.100 -11.257 -9.427 1.00 0.00 C ATOM 90 OD1 ASP A 6 0.942 -11.841 -9.793 1.00 0.00 O ATOM 91 OD2 ASP A 6 -0.467 -10.163 -9.903 1.00 0.00 O ATOM 0 H ASP A 6 -2.092 -12.973 -6.464 1.00 0.00 H new ATOM 0 HA ASP A 6 0.588 -12.851 -7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.341 -12.876 -8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.853 -11.305 -8.204 1.00 0.00 H new ATOM 96 N ILE A 7 -0.596 -10.048 -5.966 1.00 0.00 N ATOM 97 CA ILE A 7 -0.184 -8.785 -5.367 1.00 0.00 C ATOM 98 C ILE A 7 0.630 -9.038 -4.100 1.00 0.00 C ATOM 99 O ILE A 7 1.656 -8.395 -3.876 1.00 0.00 O ATOM 100 CB ILE A 7 -1.402 -7.885 -5.033 1.00 0.00 C ATOM 101 CG1 ILE A 7 -2.170 -7.528 -6.310 1.00 0.00 C ATOM 102 CG2 ILE A 7 -0.964 -6.619 -4.307 1.00 0.00 C ATOM 103 CD1 ILE A 7 -1.340 -6.790 -7.343 1.00 0.00 C ATOM 0 H ILE A 7 -1.598 -10.231 -5.923 1.00 0.00 H new ATOM 0 HA ILE A 7 0.433 -8.263 -6.098 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.063 -8.444 -4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.557 -8.444 -6.757 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.031 -6.914 -6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.838 -6.006 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.463 -6.888 -3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.277 -6.056 -4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.955 -6.573 -8.217 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.974 -5.856 -6.916 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.494 -7.409 -7.640 1.00 0.00 H new ATOM 115 N LEU A 8 0.170 -9.988 -3.288 1.00 0.00 N ATOM 116 CA LEU A 8 0.850 -10.343 -2.042 1.00 0.00 C ATOM 117 C LEU A 8 2.311 -10.704 -2.284 1.00 0.00 C ATOM 118 O LEU A 8 3.202 -10.247 -1.563 1.00 0.00 O ATOM 119 CB LEU A 8 0.140 -11.515 -1.363 1.00 0.00 C ATOM 120 CG LEU A 8 -1.232 -11.191 -0.773 1.00 0.00 C ATOM 121 CD1 LEU A 8 -1.904 -12.459 -0.269 1.00 0.00 C ATOM 122 CD2 LEU A 8 -1.095 -10.172 0.351 1.00 0.00 C ATOM 0 H LEU A 8 -0.675 -10.529 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 8 0.816 -9.469 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.025 -12.319 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.780 -11.894 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.857 -10.760 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.880 -12.212 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.029 -13.158 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.285 -12.917 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.080 -9.950 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.457 -10.579 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.650 -9.257 -0.040 1.00 0.00 H new ATOM 134 N ASP A 9 2.556 -11.518 -3.304 1.00 0.00 N ATOM 135 CA ASP A 9 3.909 -11.951 -3.623 1.00 0.00 C ATOM 136 C ASP A 9 4.744 -10.780 -4.111 1.00 0.00 C ATOM 137 O ASP A 9 5.917 -10.643 -3.758 1.00 0.00 O ATOM 138 CB ASP A 9 3.893 -13.049 -4.681 1.00 0.00 C ATOM 139 CG ASP A 9 5.249 -13.703 -4.820 1.00 0.00 C ATOM 140 OD1 ASP A 9 5.733 -14.273 -3.819 1.00 0.00 O ATOM 141 OD2 ASP A 9 5.834 -13.659 -5.920 1.00 0.00 O ATOM 0 H ASP A 9 1.836 -11.890 -3.923 1.00 0.00 H new ATOM 0 HA ASP A 9 4.355 -12.350 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.150 -13.801 -4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.591 -12.628 -5.640 1.00 0.00 H new ATOM 146 N GLN A 10 4.123 -9.924 -4.906 1.00 0.00 N ATOM 147 CA GLN A 10 4.792 -8.739 -5.420 1.00 0.00 C ATOM 148 C GLN A 10 5.188 -7.796 -4.288 1.00 0.00 C ATOM 149 O GLN A 10 6.212 -7.121 -4.368 1.00 0.00 O ATOM 150 CB GLN A 10 3.909 -8.015 -6.432 1.00 0.00 C ATOM 151 CG GLN A 10 3.671 -8.822 -7.693 1.00 0.00 C ATOM 152 CD GLN A 10 2.871 -8.065 -8.728 1.00 0.00 C ATOM 153 OE1 GLN A 10 1.559 -8.197 -8.675 1.00 0.00 O flip ATOM 154 NE2 GLN A 10 3.433 -7.372 -9.577 1.00 0.00 N flip ATOM 0 H GLN A 10 3.155 -10.028 -5.210 1.00 0.00 H new ATOM 0 HA GLN A 10 5.702 -9.064 -5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.950 -7.783 -5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.373 -7.065 -6.697 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.631 -9.110 -8.121 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.147 -9.743 -7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.450 -7.297 -9.582 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.881 -6.873 -10.275 1.00 0.00 H new ATOM 163 N ILE A 11 4.376 -7.749 -3.236 1.00 0.00 N ATOM 164 CA ILE A 11 4.709 -6.960 -2.057 1.00 0.00 C ATOM 165 C ILE A 11 5.999 -7.484 -1.427 1.00 0.00 C ATOM 166 O ILE A 11 6.859 -6.704 -1.016 1.00 0.00 O ATOM 167 CB ILE A 11 3.574 -6.974 -1.004 1.00 0.00 C ATOM 168 CG1 ILE A 11 2.276 -6.427 -1.606 1.00 0.00 C ATOM 169 CG2 ILE A 11 3.972 -6.154 0.219 1.00 0.00 C ATOM 170 CD1 ILE A 11 1.088 -6.509 -0.672 1.00 0.00 C ATOM 0 H ILE A 11 3.487 -8.246 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 11 4.845 -5.929 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 11 3.407 -8.006 -0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.430 -5.387 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.048 -6.979 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.163 -6.174 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.873 -6.577 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.165 -5.124 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.206 -6.103 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.907 -7.550 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.294 -5.933 0.230 1.00 0.00 H new ATOM 182 N ARG A 12 6.133 -8.808 -1.382 1.00 0.00 N ATOM 183 CA ARG A 12 7.350 -9.445 -0.882 1.00 0.00 C ATOM 184 C ARG A 12 8.555 -8.993 -1.701 1.00 0.00 C ATOM 185 O ARG A 12 9.576 -8.571 -1.156 1.00 0.00 O ATOM 186 CB ARG A 12 7.236 -10.970 -0.971 1.00 0.00 C ATOM 187 CG ARG A 12 6.037 -11.560 -0.247 1.00 0.00 C ATOM 188 CD ARG A 12 5.909 -13.048 -0.541 1.00 0.00 C ATOM 189 NE ARG A 12 4.755 -13.658 0.121 1.00 0.00 N ATOM 190 CZ ARG A 12 3.960 -14.560 -0.458 1.00 0.00 C ATOM 191 NH1 ARG A 12 4.175 -14.937 -1.716 1.00 0.00 N ATOM 192 NH2 ARG A 12 2.949 -15.084 0.225 1.00 0.00 N ATOM 0 H ARG A 12 5.412 -9.462 -1.686 1.00 0.00 H new ATOM 0 HA ARG A 12 7.480 -9.152 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.186 -11.256 -2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.144 -11.413 -0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.142 -11.404 0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.129 -11.044 -0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.825 -13.195 -1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.818 -13.557 -0.220 1.00 0.00 H new ATOM 0 HE ARG A 12 4.547 -13.378 1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.951 -14.536 -2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.564 -15.627 -2.153 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.782 -14.797 1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.340 -15.774 -0.215 1.00 0.00 H new ATOM 206 N VAL A 13 8.409 -9.074 -3.018 1.00 0.00 N ATOM 207 CA VAL A 13 9.477 -8.714 -3.942 1.00 0.00 C ATOM 208 C VAL A 13 9.819 -7.230 -3.845 1.00 0.00 C ATOM 209 O VAL A 13 10.987 -6.861 -3.753 1.00 0.00 O ATOM 210 CB VAL A 13 9.090 -9.055 -5.400 1.00 0.00 C ATOM 211 CG1 VAL A 13 10.224 -8.719 -6.358 1.00 0.00 C ATOM 212 CG2 VAL A 13 8.699 -10.522 -5.522 1.00 0.00 C ATOM 0 H VAL A 13 7.552 -9.389 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 13 10.353 -9.297 -3.659 1.00 0.00 H new ATOM 0 HB VAL A 13 8.228 -8.446 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.926 -8.968 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.449 -7.654 -6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.110 -9.293 -6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.430 -10.742 -6.555 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.540 -11.149 -5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.847 -10.727 -4.874 1.00 0.00 H new ATOM 222 N HIS A 14 8.794 -6.387 -3.847 1.00 0.00 N ATOM 223 CA HIS A 14 8.993 -4.941 -3.811 1.00 0.00 C ATOM 224 C HIS A 14 9.632 -4.490 -2.504 1.00 0.00 C ATOM 225 O HIS A 14 10.325 -3.476 -2.474 1.00 0.00 O ATOM 226 CB HIS A 14 7.684 -4.185 -4.058 1.00 0.00 C ATOM 227 CG HIS A 14 7.311 -4.101 -5.509 1.00 0.00 C ATOM 228 ND1 HIS A 14 6.450 -4.839 -6.251 1.00 0.00 N flip ATOM 229 CD2 HIS A 14 7.854 -3.173 -6.374 1.00 0.00 C flip ATOM 230 CE1 HIS A 14 6.491 -4.349 -7.529 1.00 0.00 C flip ATOM 231 NE2 HIS A 14 7.340 -3.342 -7.580 1.00 0.00 N flip ATOM 0 H HIS A 14 7.817 -6.678 -3.873 1.00 0.00 H new ATOM 0 HA HIS A 14 9.681 -4.699 -4.621 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.880 -4.677 -3.511 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.773 -3.177 -3.654 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.878 -5.615 -5.919 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.586 -2.425 -6.107 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.919 -4.728 -8.363 1.00 0.00 H new ATOM 240 N GLY A 15 9.405 -5.245 -1.431 1.00 0.00 N ATOM 241 CA GLY A 15 10.052 -4.950 -0.166 1.00 0.00 C ATOM 242 C GLY A 15 11.564 -5.030 -0.277 1.00 0.00 C ATOM 243 O GLY A 15 12.279 -4.134 0.170 1.00 0.00 O ATOM 0 H GLY A 15 8.785 -6.055 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.764 -3.953 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.705 -5.652 0.593 1.00 0.00 H new ATOM 247 N ALA A 16 12.051 -6.105 -0.888 1.00 0.00 N ATOM 248 CA ALA A 16 13.481 -6.267 -1.131 1.00 0.00 C ATOM 249 C ALA A 16 13.945 -5.348 -2.258 1.00 0.00 C ATOM 250 O ALA A 16 15.086 -4.895 -2.277 1.00 0.00 O ATOM 251 CB ALA A 16 13.798 -7.716 -1.469 1.00 0.00 C ATOM 0 H ALA A 16 11.476 -6.878 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 16 14.016 -5.993 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.868 -7.822 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.504 -8.356 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.250 -8.009 -2.364 1.00 0.00 H new ATOM 257 N ASP A 17 13.035 -5.087 -3.189 1.00 0.00 N ATOM 258 CA ASP A 17 13.303 -4.244 -4.355 1.00 0.00 C ATOM 259 C ASP A 17 13.725 -2.841 -3.941 1.00 0.00 C ATOM 260 O ASP A 17 14.567 -2.211 -4.581 1.00 0.00 O ATOM 261 CB ASP A 17 12.042 -4.159 -5.213 1.00 0.00 C ATOM 262 CG ASP A 17 12.267 -3.495 -6.555 1.00 0.00 C ATOM 263 OD1 ASP A 17 12.125 -2.260 -6.642 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.555 -4.211 -7.540 1.00 0.00 O ATOM 0 H ASP A 17 12.084 -5.455 -3.159 1.00 0.00 H new ATOM 0 HA ASP A 17 14.120 -4.692 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.654 -5.165 -5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.277 -3.606 -4.667 1.00 0.00 H new ATOM 269 N ALA A 18 13.122 -2.358 -2.866 1.00 0.00 N ATOM 270 CA ALA A 18 13.389 -1.008 -2.369 1.00 0.00 C ATOM 271 C ALA A 18 14.682 -0.932 -1.556 1.00 0.00 C ATOM 272 O ALA A 18 15.206 0.159 -1.315 1.00 0.00 O ATOM 273 CB ALA A 18 12.216 -0.512 -1.542 1.00 0.00 C ATOM 0 H ALA A 18 12.440 -2.880 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 18 13.518 -0.363 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.427 0.494 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.318 -0.494 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.060 -1.180 -0.694 1.00 0.00 H new ATOM 279 N TYR A 19 15.197 -2.087 -1.146 1.00 0.00 N ATOM 280 CA TYR A 19 16.416 -2.147 -0.342 1.00 0.00 C ATOM 281 C TYR A 19 17.631 -1.683 -1.148 1.00 0.00 C ATOM 282 O TYR A 19 17.567 -1.600 -2.375 1.00 0.00 O ATOM 283 CB TYR A 19 16.626 -3.569 0.187 1.00 0.00 C ATOM 284 CG TYR A 19 16.189 -3.731 1.623 1.00 0.00 C ATOM 285 CD1 TYR A 19 14.905 -3.381 2.022 1.00 0.00 C ATOM 286 CD2 TYR A 19 17.069 -4.206 2.585 1.00 0.00 C ATOM 287 CE1 TYR A 19 14.511 -3.506 3.339 1.00 0.00 C ATOM 288 CE2 TYR A 19 16.684 -4.329 3.904 1.00 0.00 C ATOM 289 CZ TYR A 19 15.405 -3.977 4.274 1.00 0.00 C ATOM 290 OH TYR A 19 15.020 -4.097 5.588 1.00 0.00 O ATOM 0 H TYR A 19 14.789 -2.997 -1.357 1.00 0.00 H new ATOM 0 HA TYR A 19 16.304 -1.471 0.505 1.00 0.00 H new ATOM 0 HB2 TYR A 19 16.072 -4.269 -0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 19 17.681 -3.831 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 19 14.205 -3.005 1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 19 18.072 -4.484 2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.508 -3.236 3.634 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.381 -4.699 4.642 1.00 0.00 H new ATOM 0 HH TYR A 19 14.741 -5.020 5.764 1.00 0.00 H new ATOM 300 N PRO A 20 18.767 -1.373 -0.486 1.00 0.00 N ATOM 301 CA PRO A 20 18.950 -1.507 0.972 1.00 0.00 C ATOM 302 C PRO A 20 18.291 -0.388 1.782 1.00 0.00 C ATOM 303 O PRO A 20 18.339 -0.391 3.014 1.00 0.00 O ATOM 304 CB PRO A 20 20.476 -1.456 1.157 1.00 0.00 C ATOM 305 CG PRO A 20 21.058 -1.438 -0.219 1.00 0.00 C ATOM 306 CD PRO A 20 19.993 -0.882 -1.118 1.00 0.00 C ATOM 0 HA PRO A 20 18.482 -2.422 1.334 1.00 0.00 H new ATOM 0 HB2 PRO A 20 20.772 -0.569 1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.830 -2.320 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 20 21.957 -0.822 -0.253 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.347 -2.441 -0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 20 20.022 0.207 -1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 20 20.096 -1.242 -2.142 1.00 0.00 H new ATOM 314 N GLU A 21 17.706 0.572 1.086 1.00 0.00 N ATOM 315 CA GLU A 21 17.075 1.718 1.730 1.00 0.00 C ATOM 316 C GLU A 21 15.674 1.361 2.220 1.00 0.00 C ATOM 317 O GLU A 21 15.146 0.300 1.886 1.00 0.00 O ATOM 318 CB GLU A 21 17.015 2.879 0.743 1.00 0.00 C ATOM 319 CG GLU A 21 18.382 3.277 0.214 1.00 0.00 C ATOM 320 CD GLU A 21 18.311 4.092 -1.061 1.00 0.00 C ATOM 321 OE1 GLU A 21 18.201 3.489 -2.147 1.00 0.00 O ATOM 322 OE2 GLU A 21 18.394 5.336 -0.985 1.00 0.00 O ATOM 0 H GLU A 21 17.653 0.582 0.067 1.00 0.00 H new ATOM 0 HA GLU A 21 17.667 2.010 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.373 2.605 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.555 3.739 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.907 3.852 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.970 2.378 0.031 1.00 0.00 H new ATOM 329 N GLU A 22 15.073 2.242 3.018 1.00 0.00 N ATOM 330 CA GLU A 22 13.726 2.000 3.523 1.00 0.00 C ATOM 331 C GLU A 22 12.697 2.222 2.416 1.00 0.00 C ATOM 332 O GLU A 22 12.639 3.291 1.806 1.00 0.00 O ATOM 333 CB GLU A 22 13.419 2.879 4.747 1.00 0.00 C ATOM 334 CG GLU A 22 13.488 4.377 4.487 1.00 0.00 C ATOM 335 CD GLU A 22 13.112 5.200 5.705 1.00 0.00 C ATOM 336 OE1 GLU A 22 11.920 5.205 6.086 1.00 0.00 O ATOM 337 OE2 GLU A 22 14.008 5.844 6.293 1.00 0.00 O ATOM 0 H GLU A 22 15.493 3.119 3.325 1.00 0.00 H new ATOM 0 HA GLU A 22 13.667 0.961 3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.422 2.633 5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.121 2.629 5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.498 4.641 4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.821 4.630 3.663 1.00 0.00 H new ATOM 344 N GLY A 23 11.905 1.197 2.143 1.00 0.00 N ATOM 345 CA GLY A 23 10.934 1.275 1.077 1.00 0.00 C ATOM 346 C GLY A 23 9.537 1.545 1.583 1.00 0.00 C ATOM 347 O GLY A 23 8.787 0.617 1.884 1.00 0.00 O ATOM 0 H GLY A 23 11.919 0.309 2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.224 2.064 0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.939 0.340 0.517 1.00 0.00 H new ATOM 351 N CYS A 24 9.194 2.813 1.701 1.00 0.00 N ATOM 352 CA CYS A 24 7.844 3.200 2.057 1.00 0.00 C ATOM 353 C CYS A 24 7.044 3.511 0.802 1.00 0.00 C ATOM 354 O CYS A 24 7.605 3.902 -0.227 1.00 0.00 O ATOM 355 CB CYS A 24 7.864 4.403 3.000 1.00 0.00 C ATOM 356 SG CYS A 24 9.021 5.703 2.515 1.00 0.00 S ATOM 0 H CYS A 24 9.834 3.594 1.555 1.00 0.00 H new ATOM 0 HA CYS A 24 7.365 2.371 2.577 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.861 4.826 3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.119 4.060 4.003 1.00 0.00 H new ATOM 0 HG CYS A 24 9.121 5.733 1.219 1.00 0.00 H new ATOM 362 N GLY A 25 5.741 3.319 0.875 1.00 0.00 N ATOM 363 CA GLY A 25 4.903 3.567 -0.279 1.00 0.00 C ATOM 364 C GLY A 25 3.429 3.483 0.041 1.00 0.00 C ATOM 365 O GLY A 25 3.051 3.242 1.186 1.00 0.00 O ATOM 0 H GLY A 25 5.247 2.997 1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.128 4.555 -0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.143 2.844 -1.059 1.00 0.00 H new ATOM 369 N PHE A 26 2.599 3.649 -0.978 1.00 0.00 N ATOM 370 CA PHE A 26 1.156 3.685 -0.792 1.00 0.00 C ATOM 371 C PHE A 26 0.490 2.523 -1.514 1.00 0.00 C ATOM 372 O PHE A 26 0.979 2.063 -2.551 1.00 0.00 O ATOM 373 CB PHE A 26 0.583 5.005 -1.314 1.00 0.00 C ATOM 374 CG PHE A 26 1.180 6.226 -0.671 1.00 0.00 C ATOM 375 CD1 PHE A 26 0.750 6.650 0.577 1.00 0.00 C ATOM 376 CD2 PHE A 26 2.169 6.950 -1.318 1.00 0.00 C ATOM 377 CE1 PHE A 26 1.296 7.775 1.167 1.00 0.00 C ATOM 378 CE2 PHE A 26 2.719 8.074 -0.732 1.00 0.00 C ATOM 379 CZ PHE A 26 2.281 8.487 0.511 1.00 0.00 C ATOM 0 H PHE A 26 2.901 3.761 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 26 0.953 3.601 0.276 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.743 5.059 -2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.495 5.011 -1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.020 6.096 1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.514 6.632 -2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.953 8.096 2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.490 8.629 -1.245 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.709 9.366 0.970 1.00 0.00 H new ATOM 389 N LEU A 27 -0.621 2.058 -0.965 1.00 0.00 N ATOM 390 CA LEU A 27 -1.386 0.977 -1.570 1.00 0.00 C ATOM 391 C LEU A 27 -2.648 1.527 -2.219 1.00 0.00 C ATOM 392 O LEU A 27 -3.444 2.209 -1.568 1.00 0.00 O ATOM 393 CB LEU A 27 -1.761 -0.070 -0.520 1.00 0.00 C ATOM 394 CG LEU A 27 -0.582 -0.751 0.171 1.00 0.00 C ATOM 395 CD1 LEU A 27 -1.080 -1.734 1.213 1.00 0.00 C ATOM 396 CD2 LEU A 27 0.297 -1.459 -0.847 1.00 0.00 C ATOM 0 H LEU A 27 -1.016 2.415 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.767 0.504 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.380 0.407 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.373 -0.836 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 27 0.015 0.013 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.229 -2.212 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.672 -1.204 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.697 -2.493 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.132 -1.938 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.289 -2.214 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.679 -0.733 -1.565 1.00 0.00 H new ATOM 408 N LEU A 28 -2.832 1.232 -3.495 1.00 0.00 N ATOM 409 CA LEU A 28 -3.989 1.719 -4.229 1.00 0.00 C ATOM 410 C LEU A 28 -4.931 0.565 -4.541 1.00 0.00 C ATOM 411 O LEU A 28 -4.484 -0.558 -4.794 1.00 0.00 O ATOM 412 CB LEU A 28 -3.546 2.397 -5.530 1.00 0.00 C ATOM 413 CG LEU A 28 -2.495 3.502 -5.370 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.120 4.090 -6.722 1.00 0.00 C ATOM 415 CD2 LEU A 28 -2.998 4.593 -4.436 1.00 0.00 C ATOM 0 H LEU A 28 -2.194 0.657 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.512 2.450 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.148 1.635 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.424 2.822 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.602 3.058 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.373 4.872 -6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.711 3.306 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.007 4.514 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.237 5.367 -4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.909 5.031 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.209 4.164 -3.456 1.00 0.00 H new ATOM 427 N GLY A 29 -6.225 0.827 -4.520 1.00 0.00 N ATOM 428 CA GLY A 29 -7.180 -0.215 -4.820 1.00 0.00 C ATOM 429 C GLY A 29 -8.598 0.298 -4.892 1.00 0.00 C ATOM 430 O GLY A 29 -8.821 1.493 -5.070 1.00 0.00 O ATOM 0 H GLY A 29 -6.631 1.737 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.918 -0.680 -5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.117 -0.991 -4.057 1.00 0.00 H new ATOM 434 N THR A 30 -9.550 -0.610 -4.747 1.00 0.00 N ATOM 435 CA THR A 30 -10.958 -0.274 -4.845 1.00 0.00 C ATOM 436 C THR A 30 -11.695 -0.630 -3.560 1.00 0.00 C ATOM 437 O THR A 30 -11.212 -1.430 -2.754 1.00 0.00 O ATOM 438 CB THR A 30 -11.620 -1.005 -6.030 1.00 0.00 C ATOM 439 OG1 THR A 30 -11.157 -2.361 -6.101 1.00 0.00 O ATOM 440 CG2 THR A 30 -11.318 -0.299 -7.337 1.00 0.00 C ATOM 0 H THR A 30 -9.368 -1.596 -4.559 1.00 0.00 H new ATOM 0 HA THR A 30 -11.024 0.802 -5.008 1.00 0.00 H new ATOM 0 HB THR A 30 -12.698 -0.999 -5.868 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.586 -2.814 -6.856 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.796 -0.833 -8.158 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.701 0.721 -7.297 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.240 -0.276 -7.498 1.00 0.00 H new ATOM 448 N VAL A 31 -12.851 -0.020 -3.359 1.00 0.00 N ATOM 449 CA VAL A 31 -13.680 -0.326 -2.206 1.00 0.00 C ATOM 450 C VAL A 31 -14.745 -1.349 -2.582 1.00 0.00 C ATOM 451 O VAL A 31 -15.675 -1.050 -3.336 1.00 0.00 O ATOM 452 CB VAL A 31 -14.375 0.932 -1.648 1.00 0.00 C ATOM 453 CG1 VAL A 31 -15.095 0.623 -0.345 1.00 0.00 C ATOM 454 CG2 VAL A 31 -13.381 2.066 -1.460 1.00 0.00 C ATOM 0 H VAL A 31 -13.237 0.691 -3.980 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.023 -0.729 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.119 1.254 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.577 1.527 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.849 -0.145 -0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.376 0.265 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.898 2.941 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.604 1.757 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.927 2.315 -2.419 1.00 0.00 H new ATOM 464 N THR A 32 -14.599 -2.555 -2.070 1.00 0.00 N ATOM 465 CA THR A 32 -15.569 -3.606 -2.311 1.00 0.00 C ATOM 466 C THR A 32 -16.531 -3.697 -1.142 1.00 0.00 C ATOM 467 O THR A 32 -16.176 -3.333 -0.017 1.00 0.00 O ATOM 468 CB THR A 32 -14.887 -4.970 -2.529 1.00 0.00 C ATOM 469 OG1 THR A 32 -13.898 -5.195 -1.514 1.00 0.00 O ATOM 470 CG2 THR A 32 -14.245 -5.040 -3.906 1.00 0.00 C ATOM 0 H THR A 32 -13.814 -2.833 -1.481 1.00 0.00 H new ATOM 0 HA THR A 32 -16.115 -3.354 -3.220 1.00 0.00 H new ATOM 0 HB THR A 32 -15.648 -5.747 -2.465 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.471 -6.065 -1.660 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.770 -6.012 -4.037 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.009 -4.904 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.495 -4.254 -3.998 1.00 0.00 H new ATOM 478 N ASP A 33 -17.768 -4.113 -1.426 1.00 0.00 N ATOM 479 CA ASP A 33 -18.806 -4.279 -0.399 1.00 0.00 C ATOM 480 C ASP A 33 -19.256 -2.919 0.124 1.00 0.00 C ATOM 481 O ASP A 33 -20.173 -2.818 0.940 1.00 0.00 O ATOM 482 CB ASP A 33 -18.275 -5.139 0.751 1.00 0.00 C ATOM 483 CG ASP A 33 -19.364 -5.641 1.678 1.00 0.00 C ATOM 484 OD1 ASP A 33 -19.930 -6.719 1.403 1.00 0.00 O ATOM 485 OD2 ASP A 33 -19.642 -4.980 2.699 1.00 0.00 O ATOM 0 H ASP A 33 -18.080 -4.344 -2.369 1.00 0.00 H new ATOM 0 HA ASP A 33 -19.664 -4.781 -0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.737 -5.992 0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.556 -4.558 1.328 1.00 0.00 H new ATOM 490 N ASP A 34 -18.596 -1.881 -0.376 1.00 0.00 N ATOM 491 CA ASP A 34 -18.817 -0.501 0.054 1.00 0.00 C ATOM 492 C ASP A 34 -18.332 -0.322 1.494 1.00 0.00 C ATOM 493 O ASP A 34 -18.719 0.617 2.187 1.00 0.00 O ATOM 494 CB ASP A 34 -20.299 -0.128 -0.089 1.00 0.00 C ATOM 495 CG ASP A 34 -20.563 1.361 0.055 1.00 0.00 C ATOM 496 OD1 ASP A 34 -20.154 2.132 -0.843 1.00 0.00 O ATOM 497 OD2 ASP A 34 -21.192 1.767 1.059 1.00 0.00 O ATOM 0 H ASP A 34 -17.883 -1.973 -1.100 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.244 0.172 -0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -20.657 -0.460 -1.063 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -20.876 -0.666 0.663 1.00 0.00 H new ATOM 502 N GLY A 35 -17.464 -1.232 1.931 1.00 0.00 N ATOM 503 CA GLY A 35 -16.929 -1.158 3.281 1.00 0.00 C ATOM 504 C GLY A 35 -15.648 -1.958 3.479 1.00 0.00 C ATOM 505 O GLY A 35 -15.200 -2.137 4.612 1.00 0.00 O ATOM 0 H GLY A 35 -17.122 -2.017 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.736 -0.114 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.683 -1.518 3.981 1.00 0.00 H new ATOM 509 N ASP A 36 -15.055 -2.445 2.393 1.00 0.00 N ATOM 510 CA ASP A 36 -13.800 -3.191 2.480 1.00 0.00 C ATOM 511 C ASP A 36 -12.731 -2.559 1.608 1.00 0.00 C ATOM 512 O ASP A 36 -13.032 -1.810 0.679 1.00 0.00 O ATOM 513 CB ASP A 36 -13.977 -4.652 2.058 1.00 0.00 C ATOM 514 CG ASP A 36 -14.628 -5.512 3.121 1.00 0.00 C ATOM 515 OD1 ASP A 36 -14.251 -5.394 4.305 1.00 0.00 O ATOM 516 OD2 ASP A 36 -15.484 -6.350 2.765 1.00 0.00 O ATOM 0 H ASP A 36 -15.419 -2.338 1.446 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.491 -3.159 3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.581 -4.690 1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.002 -5.071 1.809 1.00 0.00 H new ATOM 521 N ASN A 37 -11.480 -2.873 1.910 1.00 0.00 N ATOM 522 CA ASN A 37 -10.356 -2.380 1.126 1.00 0.00 C ATOM 523 C ASN A 37 -9.785 -3.496 0.254 1.00 0.00 C ATOM 524 O ASN A 37 -9.434 -4.574 0.743 1.00 0.00 O ATOM 525 CB ASN A 37 -9.267 -1.780 2.028 1.00 0.00 C ATOM 526 CG ASN A 37 -8.740 -2.748 3.074 1.00 0.00 C ATOM 527 OD1 ASN A 37 -7.797 -3.497 2.827 1.00 0.00 O ATOM 528 ND2 ASN A 37 -9.343 -2.733 4.254 1.00 0.00 N ATOM 0 H ASN A 37 -11.217 -3.469 2.695 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.721 -1.585 0.476 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.437 -1.443 1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.668 -0.899 2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.028 -3.358 4.996 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.123 -2.097 4.420 1.00 0.00 H new ATOM 535 N ARG A 38 -9.751 -3.245 -1.045 1.00 0.00 N ATOM 536 CA ARG A 38 -9.242 -4.202 -2.013 1.00 0.00 C ATOM 537 C ARG A 38 -8.010 -3.637 -2.718 1.00 0.00 C ATOM 538 O ARG A 38 -8.119 -2.708 -3.518 1.00 0.00 O ATOM 539 CB ARG A 38 -10.345 -4.521 -3.021 1.00 0.00 C ATOM 540 CG ARG A 38 -9.938 -5.438 -4.159 1.00 0.00 C ATOM 541 CD ARG A 38 -11.101 -5.623 -5.116 1.00 0.00 C ATOM 542 NE ARG A 38 -10.749 -6.372 -6.319 1.00 0.00 N ATOM 543 CZ ARG A 38 -11.368 -6.214 -7.488 1.00 0.00 C ATOM 544 NH1 ARG A 38 -12.337 -5.310 -7.611 1.00 0.00 N ATOM 545 NH2 ARG A 38 -11.017 -6.951 -8.535 1.00 0.00 N ATOM 0 H ARG A 38 -10.076 -2.371 -1.458 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.945 -5.119 -1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.180 -4.978 -2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.710 -3.585 -3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.084 -5.017 -4.689 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.624 -6.404 -3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.909 -6.140 -4.598 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.483 -4.644 -5.405 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.990 -7.051 -6.261 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.606 -4.738 -6.810 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.811 -5.189 -8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.271 -7.641 -8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.493 -6.827 -9.428 1.00 0.00 H new ATOM 559 N VAL A 39 -6.844 -4.192 -2.417 1.00 0.00 N ATOM 560 CA VAL A 39 -5.593 -3.710 -3.000 1.00 0.00 C ATOM 561 C VAL A 39 -5.445 -4.192 -4.442 1.00 0.00 C ATOM 562 O VAL A 39 -5.599 -5.381 -4.723 1.00 0.00 O ATOM 563 CB VAL A 39 -4.371 -4.167 -2.172 1.00 0.00 C ATOM 564 CG1 VAL A 39 -3.079 -3.636 -2.778 1.00 0.00 C ATOM 565 CG2 VAL A 39 -4.507 -3.719 -0.724 1.00 0.00 C ATOM 0 H VAL A 39 -6.735 -4.976 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.630 -2.621 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.334 -5.256 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.232 -3.970 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.974 -4.011 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.105 -2.546 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.637 -4.050 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.573 -2.632 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.408 -4.154 -0.292 1.00 0.00 H new ATOM 575 N ALA A 40 -5.146 -3.266 -5.349 1.00 0.00 N ATOM 576 CA ALA A 40 -5.036 -3.599 -6.765 1.00 0.00 C ATOM 577 C ALA A 40 -3.746 -3.056 -7.383 1.00 0.00 C ATOM 578 O ALA A 40 -3.228 -3.622 -8.345 1.00 0.00 O ATOM 579 CB ALA A 40 -6.251 -3.075 -7.521 1.00 0.00 C ATOM 0 H ALA A 40 -4.976 -2.284 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.001 -4.685 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.160 -3.329 -8.577 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.155 -3.529 -7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.308 -1.992 -7.412 1.00 0.00 H new ATOM 585 N ALA A 41 -3.222 -1.967 -6.833 1.00 0.00 N ATOM 586 CA ALA A 41 -2.033 -1.338 -7.393 1.00 0.00 C ATOM 587 C ALA A 41 -1.061 -0.913 -6.299 1.00 0.00 C ATOM 588 O ALA A 41 -1.470 -0.555 -5.191 1.00 0.00 O ATOM 589 CB ALA A 41 -2.418 -0.140 -8.253 1.00 0.00 C ATOM 0 H ALA A 41 -3.599 -1.504 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.531 -2.075 -8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.518 0.318 -8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.062 -0.469 -9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.950 0.590 -7.643 1.00 0.00 H new ATOM 595 N LEU A 42 0.224 -0.957 -6.619 1.00 0.00 N ATOM 596 CA LEU A 42 1.267 -0.577 -5.677 1.00 0.00 C ATOM 597 C LEU A 42 1.983 0.684 -6.159 1.00 0.00 C ATOM 598 O LEU A 42 2.146 0.890 -7.365 1.00 0.00 O ATOM 599 CB LEU A 42 2.281 -1.719 -5.529 1.00 0.00 C ATOM 600 CG LEU A 42 1.682 -3.097 -5.234 1.00 0.00 C ATOM 601 CD1 LEU A 42 2.774 -4.158 -5.211 1.00 0.00 C ATOM 602 CD2 LEU A 42 0.925 -3.086 -3.915 1.00 0.00 C ATOM 0 H LEU A 42 0.571 -1.254 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 42 0.806 -0.376 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.865 -1.785 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.975 -1.464 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 42 0.978 -3.340 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.331 -5.131 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.272 -4.188 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.501 -3.915 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.508 -4.075 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.606 -2.819 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.117 -2.356 -3.965 1.00 0.00 H new ATOM 614 N HIS A 43 2.398 1.532 -5.225 1.00 0.00 N ATOM 615 CA HIS A 43 3.157 2.730 -5.568 1.00 0.00 C ATOM 616 C HIS A 43 4.305 2.942 -4.586 1.00 0.00 C ATOM 617 O HIS A 43 4.085 3.100 -3.387 1.00 0.00 O ATOM 618 CB HIS A 43 2.238 3.967 -5.583 1.00 0.00 C ATOM 619 CG HIS A 43 2.963 5.272 -5.804 1.00 0.00 C ATOM 620 ND1 HIS A 43 3.288 5.760 -7.053 1.00 0.00 N ATOM 621 CD2 HIS A 43 3.422 6.190 -4.916 1.00 0.00 C ATOM 622 CE1 HIS A 43 3.917 6.918 -6.920 1.00 0.00 C ATOM 623 NE2 HIS A 43 4.007 7.197 -5.637 1.00 0.00 N ATOM 0 H HIS A 43 2.223 1.413 -4.227 1.00 0.00 H new ATOM 0 HA HIS A 43 3.575 2.592 -6.565 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.491 3.842 -6.367 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.701 4.018 -4.636 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.341 6.136 -3.840 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.292 7.529 -7.727 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.443 8.030 -5.242 1.00 0.00 H new ATOM 632 N ARG A 44 5.522 2.973 -5.113 1.00 0.00 N ATOM 633 CA ARG A 44 6.697 3.275 -4.305 1.00 0.00 C ATOM 634 C ARG A 44 6.860 4.789 -4.216 1.00 0.00 C ATOM 635 O ARG A 44 6.626 5.493 -5.200 1.00 0.00 O ATOM 636 CB ARG A 44 7.953 2.620 -4.905 1.00 0.00 C ATOM 637 CG ARG A 44 8.425 3.252 -6.206 1.00 0.00 C ATOM 638 CD ARG A 44 9.640 2.536 -6.773 1.00 0.00 C ATOM 639 NE ARG A 44 9.280 1.298 -7.461 1.00 0.00 N ATOM 640 CZ ARG A 44 10.054 0.218 -7.515 1.00 0.00 C ATOM 641 NH1 ARG A 44 11.211 0.182 -6.869 1.00 0.00 N ATOM 642 NH2 ARG A 44 9.660 -0.832 -8.218 1.00 0.00 N ATOM 0 H ARG A 44 5.722 2.793 -6.097 1.00 0.00 H new ATOM 0 HA ARG A 44 6.564 2.868 -3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.761 2.672 -4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.750 1.564 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.616 3.229 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.669 4.300 -6.033 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.159 3.198 -7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.337 2.311 -5.966 1.00 0.00 H new ATOM 0 HE ARG A 44 8.375 1.260 -7.931 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.516 0.988 -6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.796 -0.652 -6.918 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.769 -0.809 -8.713 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.248 -1.664 -8.265 1.00 0.00 H new ATOM 656 N ALA A 45 7.207 5.293 -3.037 1.00 0.00 N ATOM 657 CA ALA A 45 7.325 6.733 -2.827 1.00 0.00 C ATOM 658 C ALA A 45 8.552 7.306 -3.536 1.00 0.00 C ATOM 659 O ALA A 45 9.647 7.347 -2.971 1.00 0.00 O ATOM 660 CB ALA A 45 7.363 7.055 -1.340 1.00 0.00 C ATOM 0 H ALA A 45 7.411 4.728 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 45 6.444 7.205 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.451 8.133 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.446 6.703 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.219 6.560 -0.882 1.00 0.00 H new ATOM 962 N ASP A 63 4.304 12.612 -4.065 1.00 0.00 N ATOM 963 CA ASP A 63 3.609 13.055 -2.866 1.00 0.00 C ATOM 964 C ASP A 63 2.297 12.293 -2.748 1.00 0.00 C ATOM 965 O ASP A 63 1.836 11.712 -3.736 1.00 0.00 O ATOM 966 CB ASP A 63 3.346 14.569 -2.939 1.00 0.00 C ATOM 967 CG ASP A 63 2.543 15.087 -1.763 1.00 0.00 C ATOM 968 OD1 ASP A 63 3.145 15.413 -0.720 1.00 0.00 O ATOM 969 OD2 ASP A 63 1.300 15.171 -1.880 1.00 0.00 O ATOM 0 HA ASP A 63 4.223 12.857 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.299 15.096 -2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.814 14.796 -3.863 1.00 0.00 H new ATOM 974 N TYR A 64 1.699 12.281 -1.556 1.00 0.00 N ATOM 975 CA TYR A 64 0.423 11.605 -1.357 1.00 0.00 C ATOM 976 C TYR A 64 -0.607 12.086 -2.370 1.00 0.00 C ATOM 977 O TYR A 64 -1.280 11.276 -2.993 1.00 0.00 O ATOM 978 CB TYR A 64 -0.128 11.816 0.061 1.00 0.00 C ATOM 979 CG TYR A 64 -1.550 11.308 0.204 1.00 0.00 C ATOM 980 CD1 TYR A 64 -1.809 9.960 0.415 1.00 0.00 C ATOM 981 CD2 TYR A 64 -2.633 12.171 0.070 1.00 0.00 C ATOM 982 CE1 TYR A 64 -3.104 9.486 0.495 1.00 0.00 C ATOM 983 CE2 TYR A 64 -3.929 11.704 0.138 1.00 0.00 C ATOM 984 CZ TYR A 64 -4.162 10.360 0.351 1.00 0.00 C ATOM 985 OH TYR A 64 -5.454 9.890 0.399 1.00 0.00 O ATOM 0 H TYR A 64 2.077 12.729 -0.721 1.00 0.00 H new ATOM 0 HA TYR A 64 0.609 10.540 -1.498 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.513 11.303 0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.097 12.877 0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.984 9.271 0.518 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.456 13.224 -0.090 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.288 8.436 0.669 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.758 12.387 0.025 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.829 9.872 -0.506 1.00 0.00 H new ATOM 995 N ARG A 65 -0.712 13.403 -2.541 1.00 0.00 N ATOM 996 CA ARG A 65 -1.727 13.979 -3.411 1.00 0.00 C ATOM 997 C ARG A 65 -1.546 13.501 -4.844 1.00 0.00 C ATOM 998 O ARG A 65 -2.519 13.183 -5.525 1.00 0.00 O ATOM 999 CB ARG A 65 -1.682 15.507 -3.355 1.00 0.00 C ATOM 1000 CG ARG A 65 -2.026 16.078 -1.990 1.00 0.00 C ATOM 1001 CD ARG A 65 -2.268 17.579 -2.050 1.00 0.00 C ATOM 1002 NE ARG A 65 -3.523 17.906 -2.733 1.00 0.00 N ATOM 1003 CZ ARG A 65 -3.942 19.148 -2.982 1.00 0.00 C ATOM 1004 NH1 ARG A 65 -3.203 20.195 -2.640 1.00 0.00 N ATOM 1005 NH2 ARG A 65 -5.115 19.337 -3.569 1.00 0.00 N ATOM 0 H ARG A 65 -0.106 14.087 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.702 13.646 -3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.685 15.843 -3.639 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.376 15.909 -4.093 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.916 15.582 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.214 15.868 -1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.290 17.983 -1.038 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.438 18.060 -2.567 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.115 17.133 -3.038 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.303 20.056 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.535 21.139 -2.836 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.691 18.536 -3.827 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.442 20.284 -3.762 1.00 0.00 H new ATOM 1019 N ALA A 66 -0.298 13.433 -5.280 1.00 0.00 N ATOM 1020 CA ALA A 66 0.026 12.983 -6.628 1.00 0.00 C ATOM 1021 C ALA A 66 -0.335 11.513 -6.821 1.00 0.00 C ATOM 1022 O ALA A 66 -0.975 11.144 -7.809 1.00 0.00 O ATOM 1023 CB ALA A 66 1.502 13.214 -6.921 1.00 0.00 C ATOM 0 H ALA A 66 0.514 13.685 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.567 13.567 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.730 12.873 -7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.728 14.277 -6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.107 12.657 -6.205 1.00 0.00 H new ATOM 1029 N ALA A 67 0.062 10.678 -5.867 1.00 0.00 N ATOM 1030 CA ALA A 67 -0.259 9.256 -5.908 1.00 0.00 C ATOM 1031 C ALA A 67 -1.766 9.049 -5.805 1.00 0.00 C ATOM 1032 O ALA A 67 -2.337 8.175 -6.459 1.00 0.00 O ATOM 1033 CB ALA A 67 0.462 8.518 -4.788 1.00 0.00 C ATOM 0 H ALA A 67 0.608 10.962 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 67 0.079 8.849 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.213 7.458 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.539 8.643 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.152 8.925 -3.826 1.00 0.00 H new ATOM 1039 N ASP A 68 -2.396 9.878 -4.986 1.00 0.00 N ATOM 1040 CA ASP A 68 -3.840 9.850 -4.792 1.00 0.00 C ATOM 1041 C ASP A 68 -4.549 10.246 -6.084 1.00 0.00 C ATOM 1042 O ASP A 68 -5.546 9.641 -6.472 1.00 0.00 O ATOM 1043 CB ASP A 68 -4.211 10.810 -3.657 1.00 0.00 C ATOM 1044 CG ASP A 68 -5.679 10.783 -3.288 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -6.456 11.550 -3.889 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -6.054 10.028 -2.364 1.00 0.00 O ATOM 0 H ASP A 68 -1.919 10.592 -4.435 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.157 8.842 -4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.620 10.561 -2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.938 11.824 -3.948 1.00 0.00 H new ATOM 1051 N ALA A 69 -4.002 11.249 -6.761 1.00 0.00 N ATOM 1052 CA ALA A 69 -4.558 11.729 -8.021 1.00 0.00 C ATOM 1053 C ALA A 69 -4.434 10.672 -9.114 1.00 0.00 C ATOM 1054 O ALA A 69 -5.378 10.434 -9.871 1.00 0.00 O ATOM 1055 CB ALA A 69 -3.866 13.014 -8.450 1.00 0.00 C ATOM 0 H ALA A 69 -3.167 11.749 -6.455 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.617 11.934 -7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.292 13.360 -9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.009 13.777 -7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.800 12.827 -8.581 1.00 0.00 H new ATOM 1061 N ALA A 70 -3.269 10.037 -9.191 1.00 0.00 N ATOM 1062 CA ALA A 70 -3.043 8.957 -10.147 1.00 0.00 C ATOM 1063 C ALA A 70 -3.951 7.777 -9.831 1.00 0.00 C ATOM 1064 O ALA A 70 -4.394 7.059 -10.727 1.00 0.00 O ATOM 1065 CB ALA A 70 -1.583 8.531 -10.137 1.00 0.00 C ATOM 0 H ALA A 70 -2.465 10.252 -8.602 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.283 9.320 -11.146 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.434 7.725 -10.856 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.955 9.379 -10.408 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.312 8.183 -9.140 1.00 0.00 H new ATOM 1071 N ALA A 71 -4.228 7.579 -8.550 1.00 0.00 N ATOM 1072 CA ALA A 71 -5.192 6.577 -8.135 1.00 0.00 C ATOM 1073 C ALA A 71 -6.565 6.916 -8.699 1.00 0.00 C ATOM 1074 O ALA A 71 -7.217 6.066 -9.302 1.00 0.00 O ATOM 1075 CB ALA A 71 -5.248 6.473 -6.622 1.00 0.00 C ATOM 0 H ALA A 71 -3.799 8.099 -7.784 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.878 5.609 -8.525 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.978 5.715 -6.336 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.266 6.194 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.540 7.435 -6.202 1.00 0.00 H new ATOM 1081 N GLN A 72 -6.984 8.173 -8.524 1.00 0.00 N ATOM 1082 CA GLN A 72 -8.269 8.640 -9.044 1.00 0.00 C ATOM 1083 C GLN A 72 -8.340 8.430 -10.551 1.00 0.00 C ATOM 1084 O GLN A 72 -9.365 8.004 -11.081 1.00 0.00 O ATOM 1085 CB GLN A 72 -8.484 10.126 -8.725 1.00 0.00 C ATOM 1086 CG GLN A 72 -8.425 10.472 -7.242 1.00 0.00 C ATOM 1087 CD GLN A 72 -9.378 9.642 -6.407 1.00 0.00 C ATOM 1088 OE1 GLN A 72 -10.542 9.997 -6.233 1.00 0.00 O ATOM 1089 NE2 GLN A 72 -8.884 8.544 -5.861 1.00 0.00 N ATOM 0 H GLN A 72 -6.450 8.885 -8.025 1.00 0.00 H new ATOM 0 HA GLN A 72 -9.055 8.060 -8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.729 10.710 -9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.454 10.432 -9.118 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.408 10.324 -6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.660 11.528 -7.110 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.912 8.283 -6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.474 7.958 -5.271 1.00 0.00 H new ATOM 1098 N GLU A 73 -7.231 8.723 -11.226 1.00 0.00 N ATOM 1099 CA GLU A 73 -7.112 8.519 -12.662 1.00 0.00 C ATOM 1100 C GLU A 73 -7.439 7.080 -13.043 1.00 0.00 C ATOM 1101 O GLU A 73 -8.144 6.823 -14.020 1.00 0.00 O ATOM 1102 CB GLU A 73 -5.694 8.857 -13.115 1.00 0.00 C ATOM 1103 CG GLU A 73 -5.367 10.339 -13.092 1.00 0.00 C ATOM 1104 CD GLU A 73 -4.078 10.652 -13.823 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -4.130 10.862 -15.053 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -3.006 10.672 -13.181 1.00 0.00 O ATOM 0 H GLU A 73 -6.392 9.108 -10.791 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.826 9.176 -13.158 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.986 8.331 -12.475 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.549 8.481 -14.128 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.185 10.897 -13.547 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.287 10.676 -12.058 1.00 0.00 H new ATOM 1113 N GLN A 74 -6.939 6.154 -12.247 1.00 0.00 N ATOM 1114 CA GLN A 74 -7.105 4.734 -12.505 1.00 0.00 C ATOM 1115 C GLN A 74 -8.391 4.194 -11.878 1.00 0.00 C ATOM 1116 O GLN A 74 -8.634 2.985 -11.880 1.00 0.00 O ATOM 1117 CB GLN A 74 -5.892 3.985 -11.958 1.00 0.00 C ATOM 1118 CG GLN A 74 -4.608 4.284 -12.717 1.00 0.00 C ATOM 1119 CD GLN A 74 -3.361 3.804 -11.999 1.00 0.00 C ATOM 1120 OE1 GLN A 74 -3.364 3.869 -10.674 1.00 0.00 O flip ATOM 1121 NE2 GLN A 74 -2.387 3.402 -12.632 1.00 0.00 N flip ATOM 0 H GLN A 74 -6.406 6.364 -11.403 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.182 4.582 -13.582 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.755 4.246 -10.909 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.088 2.913 -11.997 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.657 3.814 -13.699 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.533 5.359 -12.881 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.420 3.366 -13.651 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.545 3.105 -12.138 1.00 0.00 H new ATOM 1130 N GLY A 75 -9.210 5.092 -11.338 1.00 0.00 N ATOM 1131 CA GLY A 75 -10.468 4.687 -10.731 1.00 0.00 C ATOM 1132 C GLY A 75 -10.263 3.970 -9.413 1.00 0.00 C ATOM 1133 O GLY A 75 -11.111 3.193 -8.978 1.00 0.00 O ATOM 0 H GLY A 75 -9.025 6.095 -11.309 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.092 5.566 -10.571 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.007 4.034 -11.418 1.00 0.00 H new ATOM 1137 N LEU A 76 -9.126 4.231 -8.786 1.00 0.00 N ATOM 1138 CA LEU A 76 -8.771 3.603 -7.525 1.00 0.00 C ATOM 1139 C LEU A 76 -8.636 4.671 -6.448 1.00 0.00 C ATOM 1140 O LEU A 76 -8.681 5.864 -6.744 1.00 0.00 O ATOM 1141 CB LEU A 76 -7.437 2.860 -7.668 1.00 0.00 C ATOM 1142 CG LEU A 76 -7.334 1.894 -8.851 1.00 0.00 C ATOM 1143 CD1 LEU A 76 -5.929 1.326 -8.950 1.00 0.00 C ATOM 1144 CD2 LEU A 76 -8.349 0.769 -8.718 1.00 0.00 C ATOM 0 H LEU A 76 -8.425 4.883 -9.137 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.551 2.894 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.640 3.598 -7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.254 2.301 -6.750 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.553 2.448 -9.764 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.872 0.641 -9.796 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.217 2.139 -9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.688 0.790 -8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.258 0.094 -9.569 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.162 0.218 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.355 1.188 -8.693 1.00 0.00 H new ATOM 1156 N ASP A 77 -8.475 4.251 -5.211 1.00 0.00 N ATOM 1157 CA ASP A 77 -8.166 5.175 -4.135 1.00 0.00 C ATOM 1158 C ASP A 77 -7.128 4.560 -3.214 1.00 0.00 C ATOM 1159 O ASP A 77 -6.813 3.373 -3.325 1.00 0.00 O ATOM 1160 CB ASP A 77 -9.425 5.574 -3.352 1.00 0.00 C ATOM 1161 CG ASP A 77 -10.098 4.417 -2.634 1.00 0.00 C ATOM 1162 OD1 ASP A 77 -10.697 3.559 -3.311 1.00 0.00 O ATOM 1163 OD2 ASP A 77 -10.078 4.398 -1.385 1.00 0.00 O ATOM 0 H ASP A 77 -8.553 3.276 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.759 6.087 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.159 6.337 -2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.140 6.027 -4.039 1.00 0.00 H new ATOM 1168 N VAL A 78 -6.579 5.372 -2.327 1.00 0.00 N ATOM 1169 CA VAL A 78 -5.534 4.913 -1.424 1.00 0.00 C ATOM 1170 C VAL A 78 -6.150 4.114 -0.282 1.00 0.00 C ATOM 1171 O VAL A 78 -6.819 4.669 0.590 1.00 0.00 O ATOM 1172 CB VAL A 78 -4.713 6.093 -0.856 1.00 0.00 C ATOM 1173 CG1 VAL A 78 -3.520 5.592 -0.052 1.00 0.00 C ATOM 1174 CG2 VAL A 78 -4.255 7.012 -1.979 1.00 0.00 C ATOM 0 H VAL A 78 -6.838 6.352 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.856 4.277 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.356 6.661 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.960 6.443 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.872 4.980 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.873 4.994 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.678 7.837 -1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.633 6.452 -2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.125 7.406 -2.504 1.00 0.00 H new ATOM 1184 N VAL A 79 -5.931 2.810 -0.301 1.00 0.00 N ATOM 1185 CA VAL A 79 -6.531 1.926 0.686 1.00 0.00 C ATOM 1186 C VAL A 79 -5.617 1.745 1.897 1.00 0.00 C ATOM 1187 O VAL A 79 -6.036 1.229 2.934 1.00 0.00 O ATOM 1188 CB VAL A 79 -6.871 0.545 0.083 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -7.926 0.679 -1.007 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -5.625 -0.136 -0.465 1.00 0.00 C ATOM 0 H VAL A 79 -5.342 2.339 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.457 2.400 1.010 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.274 -0.078 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.151 -0.305 -1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.833 1.112 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.550 1.326 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.895 -1.106 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.184 0.485 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.903 -0.276 0.340 1.00 0.00 H new ATOM 1200 N GLY A 80 -4.372 2.177 1.772 1.00 0.00 N ATOM 1201 CA GLY A 80 -3.451 2.061 2.879 1.00 0.00 C ATOM 1202 C GLY A 80 -2.039 2.465 2.527 1.00 0.00 C ATOM 1203 O GLY A 80 -1.766 2.907 1.411 1.00 0.00 O ATOM 0 H GLY A 80 -3.986 2.603 0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.804 2.681 3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.449 1.030 3.234 1.00 0.00 H new ATOM 1207 N VAL A 81 -1.145 2.302 3.491 1.00 0.00 N ATOM 1208 CA VAL A 81 0.261 2.652 3.340 1.00 0.00 C ATOM 1209 C VAL A 81 1.099 1.504 3.891 1.00 0.00 C ATOM 1210 O VAL A 81 0.607 0.720 4.704 1.00 0.00 O ATOM 1211 CB VAL A 81 0.613 3.946 4.121 1.00 0.00 C ATOM 1212 CG1 VAL A 81 1.980 4.485 3.727 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -0.457 5.012 3.937 1.00 0.00 C ATOM 0 H VAL A 81 -1.376 1.920 4.408 1.00 0.00 H new ATOM 0 HA VAL A 81 0.467 2.826 2.284 1.00 0.00 H new ATOM 0 HB VAL A 81 0.651 3.681 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.191 5.391 4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.742 3.736 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.987 4.714 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.180 5.906 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.546 5.259 2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.412 4.636 4.303 1.00 0.00 H new ATOM 1223 N TYR A 82 2.347 1.395 3.474 1.00 0.00 N ATOM 1224 CA TYR A 82 3.201 0.326 3.973 1.00 0.00 C ATOM 1225 C TYR A 82 4.568 0.856 4.392 1.00 0.00 C ATOM 1226 O TYR A 82 5.049 1.866 3.873 1.00 0.00 O ATOM 1227 CB TYR A 82 3.342 -0.822 2.957 1.00 0.00 C ATOM 1228 CG TYR A 82 4.014 -0.463 1.647 1.00 0.00 C ATOM 1229 CD1 TYR A 82 5.398 -0.496 1.520 1.00 0.00 C ATOM 1230 CD2 TYR A 82 3.263 -0.122 0.531 1.00 0.00 C ATOM 1231 CE1 TYR A 82 6.012 -0.190 0.320 1.00 0.00 C ATOM 1232 CE2 TYR A 82 3.869 0.178 -0.673 1.00 0.00 C ATOM 1233 CZ TYR A 82 5.244 0.144 -0.773 1.00 0.00 C ATOM 1234 OH TYR A 82 5.853 0.444 -1.972 1.00 0.00 O ATOM 0 H TYR A 82 2.789 2.022 2.802 1.00 0.00 H new ATOM 0 HA TYR A 82 2.713 -0.082 4.858 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.907 -1.629 3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.348 -1.213 2.739 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.003 -0.765 2.373 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.186 -0.091 0.605 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.089 -0.213 0.240 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.269 0.438 -1.532 1.00 0.00 H new ATOM 0 HH TYR A 82 5.170 0.657 -2.642 1.00 0.00 H new ATOM 1244 N HIS A 83 5.171 0.171 5.353 1.00 0.00 N ATOM 1245 CA HIS A 83 6.471 0.545 5.897 1.00 0.00 C ATOM 1246 C HIS A 83 7.443 -0.622 5.784 1.00 0.00 C ATOM 1247 O HIS A 83 7.031 -1.783 5.782 1.00 0.00 O ATOM 1248 CB HIS A 83 6.363 0.933 7.381 1.00 0.00 C ATOM 1249 CG HIS A 83 5.730 2.264 7.652 1.00 0.00 C ATOM 1250 ND1 HIS A 83 6.452 3.362 8.060 1.00 0.00 N ATOM 1251 CD2 HIS A 83 4.435 2.659 7.620 1.00 0.00 C ATOM 1252 CE1 HIS A 83 5.631 4.375 8.267 1.00 0.00 C ATOM 1253 NE2 HIS A 83 4.398 3.978 8.009 1.00 0.00 N ATOM 0 H HIS A 83 4.771 -0.664 5.780 1.00 0.00 H new ATOM 0 HA HIS A 83 6.830 1.399 5.323 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.790 0.164 7.899 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.363 0.930 7.814 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.588 2.051 7.341 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.919 5.363 8.593 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.559 4.553 8.085 1.00 0.00 H new ATOM 1262 N SER A 84 8.728 -0.318 5.717 1.00 0.00 N ATOM 1263 CA SER A 84 9.756 -1.345 5.750 1.00 0.00 C ATOM 1264 C SER A 84 10.391 -1.358 7.136 1.00 0.00 C ATOM 1265 O SER A 84 10.753 -0.312 7.672 1.00 0.00 O ATOM 1266 CB SER A 84 10.821 -1.083 4.683 1.00 0.00 C ATOM 1267 OG SER A 84 10.282 -1.185 3.376 1.00 0.00 O ATOM 0 H SER A 84 9.085 0.634 5.639 1.00 0.00 H new ATOM 0 HA SER A 84 9.304 -2.314 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.245 -0.089 4.827 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.637 -1.797 4.798 1.00 0.00 H new ATOM 0 HG SER A 84 9.685 -0.426 3.208 1.00 0.00 H new ATOM 1273 N HIS A 85 10.498 -2.535 7.730 1.00 0.00 N ATOM 1274 CA HIS A 85 10.963 -2.647 9.104 1.00 0.00 C ATOM 1275 C HIS A 85 12.265 -3.434 9.225 1.00 0.00 C ATOM 1276 O HIS A 85 12.248 -4.649 9.424 1.00 0.00 O ATOM 1277 CB HIS A 85 9.882 -3.287 9.972 1.00 0.00 C ATOM 1278 CG HIS A 85 9.012 -2.298 10.686 1.00 0.00 C ATOM 1279 ND1 HIS A 85 8.488 -2.536 11.936 1.00 0.00 N ATOM 1280 CD2 HIS A 85 8.571 -1.068 10.324 1.00 0.00 C ATOM 1281 CE1 HIS A 85 7.767 -1.501 12.314 1.00 0.00 C ATOM 1282 NE2 HIS A 85 7.799 -0.596 11.355 1.00 0.00 N ATOM 0 H HIS A 85 10.270 -3.424 7.285 1.00 0.00 H new ATOM 0 HA HIS A 85 11.169 -1.635 9.454 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.255 -3.922 9.345 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.357 -3.936 10.708 1.00 0.00 H new ATOM 0 HD1 HIS A 85 8.635 -3.383 12.485 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.787 -0.556 9.398 1.00 0.00 H new ATOM 0 HE1 HIS A 85 7.239 -1.409 13.251 1.00 0.00 H new ATOM 0 HE2 HIS A 85 7.327 0.308 11.377 1.00 0.00 H new ATOM 1291 N PRO A 86 13.414 -2.759 9.061 1.00 0.00 N ATOM 1292 CA PRO A 86 14.716 -3.334 9.369 1.00 0.00 C ATOM 1293 C PRO A 86 15.157 -2.995 10.788 1.00 0.00 C ATOM 1294 O PRO A 86 16.176 -3.479 11.281 1.00 0.00 O ATOM 1295 CB PRO A 86 15.619 -2.654 8.347 1.00 0.00 C ATOM 1296 CG PRO A 86 15.019 -1.298 8.146 1.00 0.00 C ATOM 1297 CD PRO A 86 13.552 -1.399 8.506 1.00 0.00 C ATOM 0 HA PRO A 86 14.728 -4.423 9.319 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.644 -2.583 8.711 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.651 -3.215 7.413 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.519 -0.560 8.773 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.140 -0.973 7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.266 -0.640 9.234 1.00 0.00 H new ATOM 0 HD3 PRO A 86 12.916 -1.258 7.632 1.00 0.00 H new ATOM 1305 N ASP A 87 14.358 -2.158 11.430 1.00 0.00 N ATOM 1306 CA ASP A 87 14.646 -1.664 12.771 1.00 0.00 C ATOM 1307 C ASP A 87 14.030 -2.578 13.822 1.00 0.00 C ATOM 1308 O ASP A 87 14.651 -2.890 14.836 1.00 0.00 O ATOM 1309 CB ASP A 87 14.101 -0.237 12.913 1.00 0.00 C ATOM 1310 CG ASP A 87 14.180 0.297 14.330 1.00 0.00 C ATOM 1311 OD1 ASP A 87 15.281 0.697 14.761 1.00 0.00 O ATOM 1312 OD2 ASP A 87 13.135 0.329 15.013 1.00 0.00 O ATOM 0 H ASP A 87 13.488 -1.800 11.036 1.00 0.00 H new ATOM 0 HA ASP A 87 15.725 -1.654 12.926 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.659 0.425 12.251 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.063 -0.217 12.582 1.00 0.00 H new ATOM 1317 N HIS A 88 12.806 -3.009 13.561 1.00 0.00 N ATOM 1318 CA HIS A 88 12.077 -3.906 14.450 1.00 0.00 C ATOM 1319 C HIS A 88 11.181 -4.816 13.616 1.00 0.00 C ATOM 1320 O HIS A 88 10.980 -4.542 12.435 1.00 0.00 O ATOM 1321 CB HIS A 88 11.251 -3.100 15.467 1.00 0.00 C ATOM 1322 CG HIS A 88 12.024 -2.689 16.685 1.00 0.00 C ATOM 1323 ND1 HIS A 88 12.611 -1.451 16.835 1.00 0.00 N ATOM 1324 CD2 HIS A 88 12.304 -3.370 17.821 1.00 0.00 C ATOM 1325 CE1 HIS A 88 13.213 -1.387 18.008 1.00 0.00 C ATOM 1326 NE2 HIS A 88 13.041 -2.538 18.624 1.00 0.00 N ATOM 0 H HIS A 88 12.286 -2.747 12.724 1.00 0.00 H new ATOM 0 HA HIS A 88 12.783 -4.519 15.010 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.860 -2.208 14.978 1.00 0.00 H new ATOM 0 HB3 HIS A 88 10.392 -3.695 15.777 1.00 0.00 H new ATOM 0 HD1 HIS A 88 12.584 -0.700 16.146 1.00 0.00 H new ATOM 0 HD2 HIS A 88 12.003 -4.381 18.052 1.00 0.00 H new ATOM 0 HE1 HIS A 88 13.754 -0.536 18.396 1.00 0.00 H new ATOM 1335 N PRO A 89 10.651 -5.913 14.202 1.00 0.00 N ATOM 1336 CA PRO A 89 9.802 -6.881 13.478 1.00 0.00 C ATOM 1337 C PRO A 89 8.511 -6.274 12.904 1.00 0.00 C ATOM 1338 O PRO A 89 8.341 -5.054 12.855 1.00 0.00 O ATOM 1339 CB PRO A 89 9.473 -7.941 14.539 1.00 0.00 C ATOM 1340 CG PRO A 89 10.524 -7.783 15.580 1.00 0.00 C ATOM 1341 CD PRO A 89 10.856 -6.320 15.603 1.00 0.00 C ATOM 0 HA PRO A 89 10.321 -7.271 12.602 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.478 -7.786 14.956 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.487 -8.944 14.113 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.165 -8.118 16.553 1.00 0.00 H new ATOM 0 HG3 PRO A 89 11.404 -8.380 15.342 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.206 -5.769 16.283 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.881 -6.144 15.929 1.00 0.00 H new ATOM 1349 N ALA A 90 7.590 -7.145 12.496 1.00 0.00 N ATOM 1350 CA ALA A 90 6.420 -6.741 11.714 1.00 0.00 C ATOM 1351 C ALA A 90 5.313 -6.110 12.558 1.00 0.00 C ATOM 1352 O ALA A 90 4.196 -5.912 12.074 1.00 0.00 O ATOM 1353 CB ALA A 90 5.874 -7.936 10.946 1.00 0.00 C ATOM 0 H ALA A 90 7.632 -8.144 12.696 1.00 0.00 H new ATOM 0 HA ALA A 90 6.758 -5.970 11.022 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.004 -7.629 10.366 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.642 -8.318 10.273 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.585 -8.718 11.648 1.00 0.00 H new ATOM 1359 N ARG A 91 5.608 -5.783 13.802 1.00 0.00 N ATOM 1360 CA ARG A 91 4.642 -5.079 14.636 1.00 0.00 C ATOM 1361 C ARG A 91 4.994 -3.597 14.711 1.00 0.00 C ATOM 1362 O ARG A 91 6.170 -3.227 14.648 1.00 0.00 O ATOM 1363 CB ARG A 91 4.562 -5.688 16.039 1.00 0.00 C ATOM 1364 CG ARG A 91 3.859 -7.034 16.077 1.00 0.00 C ATOM 1365 CD ARG A 91 3.407 -7.393 17.483 1.00 0.00 C ATOM 1366 NE ARG A 91 4.520 -7.640 18.402 1.00 0.00 N ATOM 1367 CZ ARG A 91 4.648 -7.048 19.591 1.00 0.00 C ATOM 1368 NH1 ARG A 91 3.809 -6.080 19.949 1.00 0.00 N ATOM 1369 NH2 ARG A 91 5.633 -7.402 20.409 1.00 0.00 N ATOM 0 H ARG A 91 6.497 -5.989 14.257 1.00 0.00 H new ATOM 0 HA ARG A 91 3.659 -5.185 14.177 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.571 -5.803 16.434 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.039 -4.995 16.698 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.996 -7.013 15.412 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.531 -7.806 15.703 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.792 -6.584 17.877 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.777 -8.281 17.439 1.00 0.00 H new ATOM 0 HE ARG A 91 5.240 -8.304 18.116 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.066 -5.789 19.314 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.909 -5.629 20.858 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.293 -8.127 20.129 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.729 -6.948 21.317 1.00 0.00 H new ATOM 1383 N PRO A 92 3.978 -2.727 14.825 1.00 0.00 N ATOM 1384 CA PRO A 92 4.169 -1.272 14.844 1.00 0.00 C ATOM 1385 C PRO A 92 5.006 -0.804 16.030 1.00 0.00 C ATOM 1386 O PRO A 92 4.767 -1.198 17.175 1.00 0.00 O ATOM 1387 CB PRO A 92 2.742 -0.714 14.944 1.00 0.00 C ATOM 1388 CG PRO A 92 1.922 -1.841 15.470 1.00 0.00 C ATOM 1389 CD PRO A 92 2.557 -3.093 14.942 1.00 0.00 C ATOM 0 HA PRO A 92 4.712 -0.931 13.962 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.701 0.148 15.610 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.379 -0.383 13.971 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.909 -1.839 16.560 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.887 -1.759 15.139 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.413 -3.934 15.620 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.136 -3.383 13.980 1.00 0.00 H new ATOM 1397 N SER A 93 5.992 0.032 15.748 1.00 0.00 N ATOM 1398 CA SER A 93 6.827 0.599 16.788 1.00 0.00 C ATOM 1399 C SER A 93 6.296 1.979 17.170 1.00 0.00 C ATOM 1400 O SER A 93 5.244 2.400 16.677 1.00 0.00 O ATOM 1401 CB SER A 93 8.271 0.684 16.294 1.00 0.00 C ATOM 1402 OG SER A 93 8.719 -0.585 15.847 1.00 0.00 O ATOM 0 H SER A 93 6.232 0.332 14.803 1.00 0.00 H new ATOM 0 HA SER A 93 6.804 -0.037 17.673 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.342 1.408 15.482 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.916 1.042 17.097 1.00 0.00 H new ATOM 0 HG SER A 93 9.579 -0.485 15.388 1.00 0.00 H new ATOM 1408 N ALA A 94 7.011 2.678 18.042 1.00 0.00 N ATOM 1409 CA ALA A 94 6.601 4.009 18.473 1.00 0.00 C ATOM 1410 C ALA A 94 6.505 4.961 17.284 1.00 0.00 C ATOM 1411 O ALA A 94 5.573 5.760 17.194 1.00 0.00 O ATOM 1412 CB ALA A 94 7.564 4.552 19.516 1.00 0.00 C ATOM 0 H ALA A 94 7.878 2.346 18.465 1.00 0.00 H new ATOM 0 HA ALA A 94 5.612 3.930 18.924 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.242 5.546 19.826 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.576 3.888 20.381 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.566 4.611 19.090 1.00 0.00 H new ATOM 1418 N THR A 95 7.455 4.849 16.365 1.00 0.00 N ATOM 1419 CA THR A 95 7.475 5.684 15.173 1.00 0.00 C ATOM 1420 C THR A 95 6.272 5.404 14.273 1.00 0.00 C ATOM 1421 O THR A 95 5.676 6.326 13.722 1.00 0.00 O ATOM 1422 CB THR A 95 8.778 5.471 14.382 1.00 0.00 C ATOM 1423 OG1 THR A 95 9.087 4.070 14.318 1.00 0.00 O ATOM 1424 CG2 THR A 95 9.935 6.223 15.025 1.00 0.00 C ATOM 0 H THR A 95 8.226 4.184 16.424 1.00 0.00 H new ATOM 0 HA THR A 95 7.422 6.722 15.502 1.00 0.00 H new ATOM 0 HB THR A 95 8.633 5.859 13.374 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.916 3.941 13.812 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.844 6.056 14.447 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.709 7.289 15.046 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.082 5.863 16.043 1.00 0.00 H new ATOM 1432 N ASP A 96 5.908 4.130 14.132 1.00 0.00 N ATOM 1433 CA ASP A 96 4.751 3.748 13.320 1.00 0.00 C ATOM 1434 C ASP A 96 3.482 4.332 13.918 1.00 0.00 C ATOM 1435 O ASP A 96 2.592 4.787 13.200 1.00 0.00 O ATOM 1436 CB ASP A 96 4.619 2.223 13.223 1.00 0.00 C ATOM 1437 CG ASP A 96 5.832 1.563 12.602 1.00 0.00 C ATOM 1438 OD1 ASP A 96 6.809 1.312 13.335 1.00 0.00 O ATOM 1439 OD2 ASP A 96 5.815 1.271 11.387 1.00 0.00 O ATOM 0 H ASP A 96 6.395 3.347 14.567 1.00 0.00 H new ATOM 0 HA ASP A 96 4.900 4.144 12.316 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.460 1.813 14.220 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.736 1.977 12.633 1.00 0.00 H new ATOM 1444 N LEU A 97 3.418 4.315 15.245 1.00 0.00 N ATOM 1445 CA LEU A 97 2.302 4.898 15.983 1.00 0.00 C ATOM 1446 C LEU A 97 2.256 6.410 15.778 1.00 0.00 C ATOM 1447 O LEU A 97 1.203 6.994 15.524 1.00 0.00 O ATOM 1448 CB LEU A 97 2.468 4.606 17.476 1.00 0.00 C ATOM 1449 CG LEU A 97 1.329 3.835 18.144 1.00 0.00 C ATOM 1450 CD1 LEU A 97 -0.017 4.486 17.857 1.00 0.00 C ATOM 1451 CD2 LEU A 97 1.340 2.380 17.705 1.00 0.00 C ATOM 0 H LEU A 97 4.135 3.898 15.838 1.00 0.00 H new ATOM 0 HA LEU A 97 1.375 4.458 15.614 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.391 4.042 17.614 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.593 5.554 17.999 1.00 0.00 H new ATOM 0 HG LEU A 97 1.485 3.865 19.222 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.808 3.916 18.345 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.016 5.507 18.239 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.192 4.502 16.781 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.522 1.847 18.191 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.217 2.325 16.623 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.289 1.922 17.986 1.00 0.00 H new ATOM 1463 N GLU A 98 3.420 7.026 15.895 1.00 0.00 N ATOM 1464 CA GLU A 98 3.558 8.473 15.797 1.00 0.00 C ATOM 1465 C GLU A 98 3.346 8.983 14.371 1.00 0.00 C ATOM 1466 O GLU A 98 2.944 10.128 14.170 1.00 0.00 O ATOM 1467 CB GLU A 98 4.927 8.887 16.339 1.00 0.00 C ATOM 1468 CG GLU A 98 4.951 8.969 17.857 1.00 0.00 C ATOM 1469 CD GLU A 98 6.347 9.085 18.432 1.00 0.00 C ATOM 1470 OE1 GLU A 98 6.934 10.182 18.366 1.00 0.00 O ATOM 1471 OE2 GLU A 98 6.856 8.076 18.976 1.00 0.00 O ATOM 0 H GLU A 98 4.300 6.537 16.061 1.00 0.00 H new ATOM 0 HA GLU A 98 2.776 8.933 16.401 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.678 8.171 16.005 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.202 9.856 15.922 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.362 9.829 18.176 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.469 8.082 18.269 1.00 0.00 H new ATOM 1478 N GLU A 99 3.608 8.140 13.384 1.00 0.00 N ATOM 1479 CA GLU A 99 3.363 8.504 11.994 1.00 0.00 C ATOM 1480 C GLU A 99 1.996 7.990 11.530 1.00 0.00 C ATOM 1481 O GLU A 99 1.740 7.848 10.334 1.00 0.00 O ATOM 1482 CB GLU A 99 4.476 7.965 11.086 1.00 0.00 C ATOM 1483 CG GLU A 99 5.823 8.648 11.295 1.00 0.00 C ATOM 1484 CD GLU A 99 6.870 8.210 10.290 1.00 0.00 C ATOM 1485 OE1 GLU A 99 6.842 8.703 9.140 1.00 0.00 O ATOM 1486 OE2 GLU A 99 7.730 7.374 10.641 1.00 0.00 O ATOM 0 H GLU A 99 3.989 7.203 13.517 1.00 0.00 H new ATOM 0 HA GLU A 99 3.361 9.592 11.925 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.590 6.895 11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.175 8.087 10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.691 9.728 11.227 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.181 8.433 12.302 1.00 0.00 H new ATOM 1493 N ALA A 100 1.118 7.715 12.487 1.00 0.00 N ATOM 1494 CA ALA A 100 -0.234 7.275 12.178 1.00 0.00 C ATOM 1495 C ALA A 100 -1.237 8.390 12.446 1.00 0.00 C ATOM 1496 O ALA A 100 -1.500 8.743 13.596 1.00 0.00 O ATOM 1497 CB ALA A 100 -0.588 6.038 12.986 1.00 0.00 C ATOM 0 H ALA A 100 1.320 7.789 13.484 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.278 7.022 11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.603 5.722 12.743 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.109 5.235 12.746 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.525 6.268 14.050 1.00 0.00 H new ATOM 1503 N THR A 101 -1.784 8.953 11.380 1.00 0.00 N ATOM 1504 CA THR A 101 -2.724 10.057 11.505 1.00 0.00 C ATOM 1505 C THR A 101 -3.921 9.853 10.584 1.00 0.00 C ATOM 1506 O THR A 101 -4.813 10.692 10.494 1.00 0.00 O ATOM 1507 CB THR A 101 -2.027 11.390 11.178 1.00 0.00 C ATOM 1508 OG1 THR A 101 -2.802 12.500 11.651 1.00 0.00 O ATOM 1509 CG2 THR A 101 -1.777 11.537 9.684 1.00 0.00 C ATOM 0 H THR A 101 -1.594 8.665 10.420 1.00 0.00 H new ATOM 0 HA THR A 101 -3.081 10.087 12.534 1.00 0.00 H new ATOM 0 HB THR A 101 -1.064 11.385 11.688 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.754 12.322 11.501 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.284 12.489 9.490 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.141 10.722 9.340 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.727 11.505 9.151 1.00 0.00 H new ATOM 1517 N PHE A 102 -3.927 8.724 9.910 1.00 0.00 N ATOM 1518 CA PHE A 102 -4.988 8.392 8.963 1.00 0.00 C ATOM 1519 C PHE A 102 -5.909 7.298 9.510 1.00 0.00 C ATOM 1520 O PHE A 102 -5.653 6.106 9.305 1.00 0.00 O ATOM 1521 CB PHE A 102 -4.396 7.954 7.623 1.00 0.00 C ATOM 1522 CG PHE A 102 -3.611 9.028 6.923 1.00 0.00 C ATOM 1523 CD1 PHE A 102 -4.263 10.054 6.253 1.00 0.00 C ATOM 1524 CD2 PHE A 102 -2.224 9.008 6.926 1.00 0.00 C ATOM 1525 CE1 PHE A 102 -3.545 11.040 5.602 1.00 0.00 C ATOM 1526 CE2 PHE A 102 -1.502 9.994 6.277 1.00 0.00 C ATOM 1527 CZ PHE A 102 -2.165 11.011 5.615 1.00 0.00 C ATOM 0 H PHE A 102 -3.205 8.009 9.996 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.584 9.292 8.813 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -3.748 7.093 7.787 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.204 7.625 6.970 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -5.343 10.082 6.240 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.702 8.215 7.440 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -4.064 11.833 5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.422 9.969 6.287 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.604 11.782 5.108 1.00 0.00 H new ATOM 1537 N PRO A 103 -6.971 7.678 10.249 1.00 0.00 N ATOM 1538 CA PRO A 103 -7.923 6.727 10.825 1.00 0.00 C ATOM 1539 C PRO A 103 -8.900 6.188 9.782 1.00 0.00 C ATOM 1540 O PRO A 103 -10.106 6.428 9.848 1.00 0.00 O ATOM 1541 CB PRO A 103 -8.670 7.547 11.893 1.00 0.00 C ATOM 1542 CG PRO A 103 -8.026 8.898 11.903 1.00 0.00 C ATOM 1543 CD PRO A 103 -7.348 9.055 10.573 1.00 0.00 C ATOM 0 HA PRO A 103 -7.421 5.849 11.230 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.731 7.623 11.655 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.596 7.072 12.871 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.769 9.681 12.055 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.306 8.979 12.718 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -8.016 9.480 9.824 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.479 9.710 10.635 1.00 0.00 H new ATOM 1551 N GLY A 104 -8.359 5.467 8.815 1.00 0.00 N ATOM 1552 CA GLY A 104 -9.177 4.865 7.780 1.00 0.00 C ATOM 1553 C GLY A 104 -8.336 4.266 6.673 1.00 0.00 C ATOM 1554 O GLY A 104 -8.770 4.172 5.524 1.00 0.00 O ATOM 0 H GLY A 104 -7.359 5.285 8.726 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -9.805 4.090 8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.845 5.618 7.362 1.00 0.00 H new ATOM 1558 N PHE A 105 -7.124 3.861 7.027 1.00 0.00 N ATOM 1559 CA PHE A 105 -6.182 3.307 6.072 1.00 0.00 C ATOM 1560 C PHE A 105 -5.578 2.025 6.626 1.00 0.00 C ATOM 1561 O PHE A 105 -5.517 1.837 7.844 1.00 0.00 O ATOM 1562 CB PHE A 105 -5.064 4.312 5.769 1.00 0.00 C ATOM 1563 CG PHE A 105 -5.472 5.441 4.862 1.00 0.00 C ATOM 1564 CD1 PHE A 105 -6.287 6.464 5.318 1.00 0.00 C ATOM 1565 CD2 PHE A 105 -5.029 5.481 3.551 1.00 0.00 C ATOM 1566 CE1 PHE A 105 -6.654 7.502 4.485 1.00 0.00 C ATOM 1567 CE2 PHE A 105 -5.390 6.518 2.715 1.00 0.00 C ATOM 1568 CZ PHE A 105 -6.203 7.529 3.180 1.00 0.00 C ATOM 0 H PHE A 105 -6.769 3.908 7.982 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.717 3.089 5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.703 4.730 6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.228 3.781 5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.640 6.449 6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.393 4.691 3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.293 8.291 4.853 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.035 6.537 1.695 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.487 8.340 2.526 1.00 0.00 H new ATOM 1578 N THR A 106 -5.144 1.147 5.740 1.00 0.00 N ATOM 1579 CA THR A 106 -4.499 -0.088 6.150 1.00 0.00 C ATOM 1580 C THR A 106 -2.983 0.098 6.209 1.00 0.00 C ATOM 1581 O THR A 106 -2.343 0.387 5.199 1.00 0.00 O ATOM 1582 CB THR A 106 -4.844 -1.234 5.180 1.00 0.00 C ATOM 1583 OG1 THR A 106 -6.264 -1.292 4.989 1.00 0.00 O ATOM 1584 CG2 THR A 106 -4.346 -2.570 5.716 1.00 0.00 C ATOM 0 H THR A 106 -5.226 1.266 4.730 1.00 0.00 H new ATOM 0 HA THR A 106 -4.867 -0.347 7.143 1.00 0.00 H new ATOM 0 HB THR A 106 -4.351 -1.039 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 106 -6.539 -0.591 4.362 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.602 -3.362 5.013 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.264 -2.531 5.841 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.815 -2.774 6.679 1.00 0.00 H new ATOM 1592 N TYR A 107 -2.422 -0.047 7.400 1.00 0.00 N ATOM 1593 CA TYR A 107 -0.989 0.104 7.595 1.00 0.00 C ATOM 1594 C TYR A 107 -0.309 -1.251 7.485 1.00 0.00 C ATOM 1595 O TYR A 107 -0.456 -2.097 8.359 1.00 0.00 O ATOM 1596 CB TYR A 107 -0.695 0.720 8.968 1.00 0.00 C ATOM 1597 CG TYR A 107 -1.214 2.133 9.144 1.00 0.00 C ATOM 1598 CD1 TYR A 107 -2.575 2.383 9.285 1.00 0.00 C ATOM 1599 CD2 TYR A 107 -0.343 3.216 9.188 1.00 0.00 C ATOM 1600 CE1 TYR A 107 -3.051 3.666 9.464 1.00 0.00 C ATOM 1601 CE2 TYR A 107 -0.813 4.505 9.366 1.00 0.00 C ATOM 1602 CZ TYR A 107 -2.168 4.724 9.503 1.00 0.00 C ATOM 1603 OH TYR A 107 -2.642 6.001 9.693 1.00 0.00 O ATOM 0 H TYR A 107 -2.941 -0.270 8.249 1.00 0.00 H new ATOM 0 HA TYR A 107 -0.601 0.769 6.823 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.134 0.086 9.739 1.00 0.00 H new ATOM 0 HB3 TYR A 107 0.383 0.719 9.130 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.272 1.558 9.254 1.00 0.00 H new ATOM 0 HD2 TYR A 107 0.719 3.048 9.081 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.111 3.841 9.573 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -0.123 5.335 9.398 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.621 5.998 9.641 1.00 0.00 H new ATOM 1613 N VAL A 108 0.415 -1.462 6.406 1.00 0.00 N ATOM 1614 CA VAL A 108 1.110 -2.723 6.203 1.00 0.00 C ATOM 1615 C VAL A 108 2.554 -2.613 6.656 1.00 0.00 C ATOM 1616 O VAL A 108 3.290 -1.718 6.237 1.00 0.00 O ATOM 1617 CB VAL A 108 1.060 -3.166 4.726 1.00 0.00 C ATOM 1618 CG1 VAL A 108 1.835 -4.458 4.516 1.00 0.00 C ATOM 1619 CG2 VAL A 108 -0.382 -3.339 4.272 1.00 0.00 C ATOM 0 H VAL A 108 0.540 -0.782 5.656 1.00 0.00 H new ATOM 0 HA VAL A 108 0.600 -3.477 6.803 1.00 0.00 H new ATOM 0 HB VAL A 108 1.528 -2.386 4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.783 -4.747 3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.877 -4.308 4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.401 -5.246 5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.400 -3.652 3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.868 -4.097 4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.912 -2.392 4.376 1.00 0.00 H new ATOM 1629 N ILE A 109 2.944 -3.516 7.529 1.00 0.00 N ATOM 1630 CA ILE A 109 4.289 -3.546 8.052 1.00 0.00 C ATOM 1631 C ILE A 109 4.932 -4.886 7.731 1.00 0.00 C ATOM 1632 O ILE A 109 4.447 -5.936 8.153 1.00 0.00 O ATOM 1633 CB ILE A 109 4.308 -3.303 9.574 1.00 0.00 C ATOM 1634 CG1 ILE A 109 3.714 -1.925 9.892 1.00 0.00 C ATOM 1635 CG2 ILE A 109 5.725 -3.413 10.112 1.00 0.00 C ATOM 1636 CD1 ILE A 109 3.614 -1.625 11.372 1.00 0.00 C ATOM 0 H ILE A 109 2.337 -4.249 7.895 1.00 0.00 H new ATOM 0 HA ILE A 109 4.856 -2.744 7.579 1.00 0.00 H new ATOM 0 HB ILE A 109 3.700 -4.066 10.060 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.326 -1.158 9.417 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.720 -1.858 9.450 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.720 -3.239 11.188 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.115 -4.410 9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.357 -2.669 9.627 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.185 -0.633 11.514 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.977 -2.368 11.852 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.608 -1.657 11.818 1.00 0.00 H new ATOM 1648 N VAL A 110 6.002 -4.849 6.961 1.00 0.00 N ATOM 1649 CA VAL A 110 6.679 -6.065 6.567 1.00 0.00 C ATOM 1650 C VAL A 110 8.084 -6.118 7.150 1.00 0.00 C ATOM 1651 O VAL A 110 8.864 -5.164 7.048 1.00 0.00 O ATOM 1652 CB VAL A 110 6.725 -6.216 5.025 1.00 0.00 C ATOM 1653 CG1 VAL A 110 7.425 -5.033 4.375 1.00 0.00 C ATOM 1654 CG2 VAL A 110 7.402 -7.517 4.629 1.00 0.00 C ATOM 0 H VAL A 110 6.419 -3.992 6.598 1.00 0.00 H new ATOM 0 HA VAL A 110 6.107 -6.902 6.968 1.00 0.00 H new ATOM 0 HB VAL A 110 5.696 -6.238 4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.441 -5.169 3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.889 -4.115 4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.447 -4.966 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.422 -7.601 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.422 -7.528 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.848 -8.357 5.047 1.00 0.00 H new ATOM 1664 N SER A 111 8.380 -7.229 7.798 1.00 0.00 N ATOM 1665 CA SER A 111 9.700 -7.475 8.330 1.00 0.00 C ATOM 1666 C SER A 111 10.584 -8.001 7.210 1.00 0.00 C ATOM 1667 O SER A 111 10.417 -9.133 6.748 1.00 0.00 O ATOM 1668 CB SER A 111 9.624 -8.478 9.488 1.00 0.00 C ATOM 1669 OG SER A 111 10.854 -8.554 10.194 1.00 0.00 O ATOM 0 H SER A 111 7.713 -7.981 7.968 1.00 0.00 H new ATOM 0 HA SER A 111 10.126 -6.551 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.828 -8.185 10.173 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.364 -9.463 9.101 1.00 0.00 H new ATOM 0 HG SER A 111 11.048 -9.489 10.414 1.00 0.00 H new ATOM 1675 N VAL A 112 11.480 -7.157 6.739 1.00 0.00 N ATOM 1676 CA VAL A 112 12.414 -7.541 5.701 1.00 0.00 C ATOM 1677 C VAL A 112 13.818 -7.512 6.265 1.00 0.00 C ATOM 1678 O VAL A 112 14.303 -6.462 6.681 1.00 0.00 O ATOM 1679 CB VAL A 112 12.331 -6.608 4.471 1.00 0.00 C ATOM 1680 CG1 VAL A 112 13.291 -7.064 3.380 1.00 0.00 C ATOM 1681 CG2 VAL A 112 10.908 -6.537 3.938 1.00 0.00 C ATOM 0 H VAL A 112 11.581 -6.195 7.062 1.00 0.00 H new ATOM 0 HA VAL A 112 12.155 -8.546 5.368 1.00 0.00 H new ATOM 0 HB VAL A 112 12.625 -5.607 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.215 -6.393 2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.311 -7.049 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.035 -8.077 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.876 -5.874 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.579 -7.534 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 112 10.247 -6.152 4.715 1.00 0.00 H new ATOM 1691 N ARG A 113 14.465 -8.658 6.297 1.00 0.00 N ATOM 1692 CA ARG A 113 15.789 -8.742 6.873 1.00 0.00 C ATOM 1693 C ARG A 113 16.844 -8.835 5.790 1.00 0.00 C ATOM 1694 O ARG A 113 17.174 -9.919 5.307 1.00 0.00 O ATOM 1695 CB ARG A 113 15.882 -9.899 7.869 1.00 0.00 C ATOM 1696 CG ARG A 113 15.355 -9.523 9.249 1.00 0.00 C ATOM 1697 CD ARG A 113 15.385 -10.694 10.216 1.00 0.00 C ATOM 1698 NE ARG A 113 15.528 -10.246 11.605 1.00 0.00 N ATOM 1699 CZ ARG A 113 15.164 -10.968 12.670 1.00 0.00 C ATOM 1700 NH1 ARG A 113 14.426 -12.058 12.521 1.00 0.00 N ATOM 1701 NH2 ARG A 113 15.481 -10.558 13.893 1.00 0.00 N ATOM 0 H ARG A 113 14.099 -9.538 5.934 1.00 0.00 H new ATOM 0 HA ARG A 113 15.980 -7.825 7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.317 -10.750 7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.921 -10.218 7.955 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.952 -8.705 9.653 1.00 0.00 H new ATOM 0 HG3 ARG A 113 14.333 -9.156 9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 113 14.468 -11.275 10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 113 16.212 -11.356 9.960 1.00 0.00 H new ATOM 0 HE ARG A 113 15.931 -9.324 11.769 1.00 0.00 H new ATOM 0 HH11 ARG A 113 14.132 -12.351 11.589 1.00 0.00 H new ATOM 0 HH12 ARG A 113 14.152 -12.604 13.338 1.00 0.00 H new ATOM 0 HH21 ARG A 113 16.003 -9.691 14.021 1.00 0.00 H new ATOM 0 HH22 ARG A 113 15.202 -11.110 14.704 1.00 0.00 H new ATOM 1715 N ASP A 114 17.322 -7.662 5.390 1.00 0.00 N ATOM 1716 CA ASP A 114 18.393 -7.523 4.409 1.00 0.00 C ATOM 1717 C ASP A 114 18.036 -8.223 3.097 1.00 0.00 C ATOM 1718 O ASP A 114 18.842 -8.948 2.517 1.00 0.00 O ATOM 1719 CB ASP A 114 19.694 -8.069 4.989 1.00 0.00 C ATOM 1720 CG ASP A 114 20.915 -7.568 4.248 1.00 0.00 C ATOM 1721 OD1 ASP A 114 21.108 -6.335 4.199 1.00 0.00 O ATOM 1722 OD2 ASP A 114 21.700 -8.398 3.748 1.00 0.00 O ATOM 0 H ASP A 114 16.973 -6.770 5.742 1.00 0.00 H new ATOM 0 HA ASP A 114 18.526 -6.465 4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.768 -7.784 6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.674 -9.158 4.955 1.00 0.00 H new ATOM 1727 N GLY A 115 16.812 -8.000 2.639 1.00 0.00 N ATOM 1728 CA GLY A 115 16.377 -8.566 1.377 1.00 0.00 C ATOM 1729 C GLY A 115 15.500 -9.786 1.563 1.00 0.00 C ATOM 1730 O GLY A 115 14.846 -10.235 0.623 1.00 0.00 O ATOM 0 H GLY A 115 16.111 -7.436 3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.829 -7.811 0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.250 -8.837 0.783 1.00 0.00 H new ATOM 1734 N ALA A 116 15.484 -10.322 2.776 1.00 0.00 N ATOM 1735 CA ALA A 116 14.691 -11.504 3.071 1.00 0.00 C ATOM 1736 C ALA A 116 13.314 -11.127 3.599 1.00 0.00 C ATOM 1737 O ALA A 116 13.199 -10.514 4.665 1.00 0.00 O ATOM 1738 CB ALA A 116 15.419 -12.398 4.066 1.00 0.00 C ATOM 0 H ALA A 116 16.011 -9.957 3.569 1.00 0.00 H new ATOM 0 HA ALA A 116 14.552 -12.056 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 116 14.812 -13.278 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 116 16.375 -12.709 3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 116 15.592 -11.848 4.991 1.00 0.00 H new ATOM 1744 N PRO A 117 12.251 -11.467 2.850 1.00 0.00 N ATOM 1745 CA PRO A 117 10.871 -11.257 3.288 1.00 0.00 C ATOM 1746 C PRO A 117 10.501 -12.224 4.405 1.00 0.00 C ATOM 1747 O PRO A 117 10.280 -13.413 4.168 1.00 0.00 O ATOM 1748 CB PRO A 117 10.029 -11.531 2.033 1.00 0.00 C ATOM 1749 CG PRO A 117 11.005 -11.633 0.907 1.00 0.00 C ATOM 1750 CD PRO A 117 12.302 -12.080 1.518 1.00 0.00 C ATOM 0 HA PRO A 117 10.712 -10.256 3.689 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.456 -12.452 2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 117 9.313 -10.728 1.859 1.00 0.00 H new ATOM 0 HG2 PRO A 117 10.662 -12.346 0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 117 11.122 -10.673 0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 117 12.372 -13.166 1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.162 -11.734 0.944 1.00 0.00 H new ATOM 1758 N GLU A 118 10.457 -11.715 5.620 1.00 0.00 N ATOM 1759 CA GLU A 118 10.261 -12.551 6.791 1.00 0.00 C ATOM 1760 C GLU A 118 8.790 -12.636 7.174 1.00 0.00 C ATOM 1761 O GLU A 118 8.161 -13.685 7.036 1.00 0.00 O ATOM 1762 CB GLU A 118 11.080 -11.989 7.948 1.00 0.00 C ATOM 1763 CG GLU A 118 10.982 -12.790 9.232 1.00 0.00 C ATOM 1764 CD GLU A 118 11.901 -12.243 10.297 1.00 0.00 C ATOM 1765 OE1 GLU A 118 11.561 -11.203 10.901 1.00 0.00 O ATOM 1766 OE2 GLU A 118 12.979 -12.839 10.509 1.00 0.00 O ATOM 0 H GLU A 118 10.555 -10.720 5.824 1.00 0.00 H new ATOM 0 HA GLU A 118 10.596 -13.562 6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 118 12.126 -11.937 7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.754 -10.968 8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.954 -12.775 9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.234 -13.832 9.032 1.00 0.00 H new ATOM 1773 N ALA A 119 8.244 -11.528 7.646 1.00 0.00 N ATOM 1774 CA ALA A 119 6.864 -11.500 8.094 1.00 0.00 C ATOM 1775 C ALA A 119 6.128 -10.304 7.512 1.00 0.00 C ATOM 1776 O ALA A 119 6.542 -9.162 7.692 1.00 0.00 O ATOM 1777 CB ALA A 119 6.805 -11.474 9.613 1.00 0.00 C ATOM 0 H ALA A 119 8.735 -10.638 7.728 1.00 0.00 H new ATOM 0 HA ALA A 119 6.370 -12.405 7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.764 -11.453 9.936 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.291 -12.365 10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 119 7.317 -10.585 9.982 1.00 0.00 H new ATOM 1783 N LEU A 120 5.045 -10.577 6.810 1.00 0.00 N ATOM 1784 CA LEU A 120 4.218 -9.530 6.233 1.00 0.00 C ATOM 1785 C LEU A 120 2.913 -9.454 7.015 1.00 0.00 C ATOM 1786 O LEU A 120 2.209 -10.454 7.151 1.00 0.00 O ATOM 1787 CB LEU A 120 3.959 -9.834 4.746 1.00 0.00 C ATOM 1788 CG LEU A 120 3.451 -8.668 3.884 1.00 0.00 C ATOM 1789 CD1 LEU A 120 3.599 -9.006 2.410 1.00 0.00 C ATOM 1790 CD2 LEU A 120 1.998 -8.336 4.196 1.00 0.00 C ATOM 0 H LEU A 120 4.714 -11.523 6.623 1.00 0.00 H new ATOM 0 HA LEU A 120 4.724 -8.567 6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.886 -10.203 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.232 -10.644 4.685 1.00 0.00 H new ATOM 0 HG LEU A 120 4.055 -7.792 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.236 -8.173 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.649 -9.188 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.018 -9.899 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.671 -7.507 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.375 -9.208 3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.906 -8.055 5.245 1.00 0.00 H new ATOM 1802 N THR A 121 2.600 -8.288 7.558 1.00 0.00 N ATOM 1803 CA THR A 121 1.385 -8.129 8.334 1.00 0.00 C ATOM 1804 C THR A 121 0.740 -6.785 8.026 1.00 0.00 C ATOM 1805 O THR A 121 1.407 -5.849 7.591 1.00 0.00 O ATOM 1806 CB THR A 121 1.670 -8.233 9.847 1.00 0.00 C ATOM 1807 OG1 THR A 121 2.620 -9.280 10.092 1.00 0.00 O ATOM 1808 CG2 THR A 121 0.394 -8.529 10.625 1.00 0.00 C ATOM 0 H THR A 121 3.167 -7.444 7.475 1.00 0.00 H new ATOM 0 HA THR A 121 0.703 -8.933 8.057 1.00 0.00 H new ATOM 0 HB THR A 121 2.072 -7.277 10.181 1.00 0.00 H new ATOM 0 HG1 THR A 121 2.799 -9.341 11.054 1.00 0.00 H new ATOM 0 HG21 THR A 121 0.624 -8.597 11.688 1.00 0.00 H new ATOM 0 HG22 THR A 121 -0.327 -7.728 10.460 1.00 0.00 H new ATOM 0 HG23 THR A 121 -0.029 -9.474 10.284 1.00 0.00 H new ATOM 1816 N ALA A 122 -0.555 -6.699 8.247 1.00 0.00 N ATOM 1817 CA ALA A 122 -1.288 -5.472 8.010 1.00 0.00 C ATOM 1818 C ALA A 122 -2.022 -5.073 9.271 1.00 0.00 C ATOM 1819 O ALA A 122 -2.440 -5.930 10.051 1.00 0.00 O ATOM 1820 CB ALA A 122 -2.253 -5.635 6.844 1.00 0.00 C ATOM 0 H ALA A 122 -1.126 -7.470 8.593 1.00 0.00 H new ATOM 0 HA ALA A 122 -0.586 -4.682 7.745 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.792 -4.701 6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.695 -5.890 5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.964 -6.431 7.068 1.00 0.00 H new ATOM 1826 N TRP A 123 -2.153 -3.778 9.482 1.00 0.00 N ATOM 1827 CA TRP A 123 -2.745 -3.256 10.697 1.00 0.00 C ATOM 1828 C TRP A 123 -3.775 -2.182 10.378 1.00 0.00 C ATOM 1829 O TRP A 123 -3.571 -1.351 9.491 1.00 0.00 O ATOM 1830 CB TRP A 123 -1.647 -2.680 11.596 1.00 0.00 C ATOM 1831 CG TRP A 123 -0.583 -3.676 11.945 1.00 0.00 C ATOM 1832 CD1 TRP A 123 0.563 -3.943 11.246 1.00 0.00 C ATOM 1833 CD2 TRP A 123 -0.573 -4.547 13.077 1.00 0.00 C ATOM 1834 NE1 TRP A 123 1.289 -4.918 11.892 1.00 0.00 N ATOM 1835 CE2 TRP A 123 0.609 -5.306 13.016 1.00 0.00 C ATOM 1836 CE3 TRP A 123 -1.456 -4.752 14.138 1.00 0.00 C ATOM 1837 CZ2 TRP A 123 0.933 -6.255 13.983 1.00 0.00 C ATOM 1838 CZ3 TRP A 123 -1.141 -5.695 15.095 1.00 0.00 C ATOM 1839 CH2 TRP A 123 0.045 -6.439 15.014 1.00 0.00 C ATOM 0 H TRP A 123 -1.854 -3.062 8.820 1.00 0.00 H new ATOM 0 HA TRP A 123 -3.251 -4.069 11.217 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -1.187 -1.828 11.095 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -2.099 -2.305 12.514 1.00 0.00 H new ATOM 0 HD1 TRP A 123 0.854 -3.461 10.325 1.00 0.00 H new ATOM 0 HE1 TRP A 123 2.187 -5.291 11.584 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.371 -4.182 14.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 1.849 -6.825 13.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -1.818 -5.863 15.919 1.00 0.00 H new ATOM 0 HH2 TRP A 123 0.264 -7.171 15.777 1.00 0.00 H new ATOM 1850 N ALA A 124 -4.878 -2.208 11.099 1.00 0.00 N ATOM 1851 CA ALA A 124 -5.915 -1.208 10.953 1.00 0.00 C ATOM 1852 C ALA A 124 -5.862 -0.240 12.125 1.00 0.00 C ATOM 1853 O ALA A 124 -5.819 -0.658 13.284 1.00 0.00 O ATOM 1854 CB ALA A 124 -7.281 -1.869 10.867 1.00 0.00 C ATOM 0 H ALA A 124 -5.080 -2.921 11.800 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.748 -0.654 10.030 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.049 -1.104 10.758 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.309 -2.537 10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.466 -2.441 11.776 1.00 0.00 H new ATOM 1860 N LEU A 125 -5.829 1.047 11.824 1.00 0.00 N ATOM 1861 CA LEU A 125 -5.774 2.067 12.860 1.00 0.00 C ATOM 1862 C LEU A 125 -7.172 2.375 13.374 1.00 0.00 C ATOM 1863 O LEU A 125 -8.115 2.522 12.594 1.00 0.00 O ATOM 1864 CB LEU A 125 -5.122 3.344 12.324 1.00 0.00 C ATOM 1865 CG LEU A 125 -4.999 4.489 13.336 1.00 0.00 C ATOM 1866 CD1 LEU A 125 -4.113 4.084 14.504 1.00 0.00 C ATOM 1867 CD2 LEU A 125 -4.457 5.740 12.665 1.00 0.00 C ATOM 0 H LEU A 125 -5.839 1.411 10.871 1.00 0.00 H new ATOM 0 HA LEU A 125 -5.170 1.685 13.683 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -4.126 3.097 11.956 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.699 3.696 11.469 1.00 0.00 H new ATOM 0 HG LEU A 125 -5.994 4.709 13.723 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.040 4.912 15.209 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.545 3.217 15.005 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.118 3.832 14.136 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.377 6.541 13.400 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.472 5.531 12.247 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.133 6.046 11.866 1.00 0.00 H new ATOM 1879 N ALA A 126 -7.296 2.451 14.687 1.00 0.00 N ATOM 1880 CA ALA A 126 -8.555 2.806 15.319 1.00 0.00 C ATOM 1881 C ALA A 126 -8.900 4.265 15.036 1.00 0.00 C ATOM 1882 O ALA A 126 -8.003 5.100 14.905 1.00 0.00 O ATOM 1883 CB ALA A 126 -8.465 2.550 16.814 1.00 0.00 C ATOM 0 H ALA A 126 -6.534 2.270 15.341 1.00 0.00 H new ATOM 0 HA ALA A 126 -9.351 2.187 14.905 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -9.410 2.817 17.286 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -8.256 1.495 16.991 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.664 3.154 17.239 1.00 0.00 H new ATOM 1889 N PRO A 127 -10.200 4.596 14.939 1.00 0.00 N ATOM 1890 CA PRO A 127 -10.657 5.963 14.644 1.00 0.00 C ATOM 1891 C PRO A 127 -10.189 6.980 15.686 1.00 0.00 C ATOM 1892 O PRO A 127 -10.045 8.166 15.391 1.00 0.00 O ATOM 1893 CB PRO A 127 -12.185 5.849 14.658 1.00 0.00 C ATOM 1894 CG PRO A 127 -12.463 4.401 14.433 1.00 0.00 C ATOM 1895 CD PRO A 127 -11.330 3.661 15.080 1.00 0.00 C ATOM 0 HA PRO A 127 -10.253 6.323 13.698 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -12.598 6.188 15.608 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -12.634 6.464 13.878 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -13.419 4.114 14.872 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -12.520 4.175 13.368 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -11.540 3.436 16.126 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -11.132 2.711 14.583 1.00 0.00 H new ATOM 1903 N ASP A 128 -9.954 6.505 16.901 1.00 0.00 N ATOM 1904 CA ASP A 128 -9.470 7.359 17.984 1.00 0.00 C ATOM 1905 C ASP A 128 -7.946 7.453 17.945 1.00 0.00 C ATOM 1906 O ASP A 128 -7.345 8.298 18.611 1.00 0.00 O ATOM 1907 CB ASP A 128 -9.934 6.790 19.330 1.00 0.00 C ATOM 1908 CG ASP A 128 -9.562 7.661 20.516 1.00 0.00 C ATOM 1909 OD1 ASP A 128 -10.337 8.576 20.853 1.00 0.00 O ATOM 1910 OD2 ASP A 128 -8.514 7.404 21.148 1.00 0.00 O ATOM 0 H ASP A 128 -10.090 5.529 17.165 1.00 0.00 H new ATOM 0 HA ASP A 128 -9.878 8.362 17.859 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -11.016 6.663 19.308 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -9.499 5.800 19.466 1.00 0.00 H new ATOM 1915 N ARG A 129 -7.335 6.591 17.127 1.00 0.00 N ATOM 1916 CA ARG A 129 -5.878 6.438 17.067 1.00 0.00 C ATOM 1917 C ARG A 129 -5.367 5.880 18.393 1.00 0.00 C ATOM 1918 O ARG A 129 -4.195 6.004 18.728 1.00 0.00 O ATOM 1919 CB ARG A 129 -5.185 7.771 16.735 1.00 0.00 C ATOM 1920 CG ARG A 129 -3.760 7.615 16.213 1.00 0.00 C ATOM 1921 CD ARG A 129 -2.778 8.507 16.962 1.00 0.00 C ATOM 1922 NE ARG A 129 -2.650 8.111 18.365 1.00 0.00 N ATOM 1923 CZ ARG A 129 -1.572 8.330 19.119 1.00 0.00 C ATOM 1924 NH1 ARG A 129 -0.508 8.940 18.606 1.00 0.00 N ATOM 1925 NH2 ARG A 129 -1.561 7.924 20.387 1.00 0.00 N ATOM 0 H ARG A 129 -7.838 5.978 16.486 1.00 0.00 H new ATOM 0 HA ARG A 129 -5.637 5.739 16.266 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.778 8.302 15.990 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.167 8.393 17.630 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -3.450 6.574 16.309 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -3.734 7.859 15.151 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -1.802 8.459 16.480 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -3.111 9.543 16.905 1.00 0.00 H new ATOM 0 HE ARG A 129 -3.441 7.634 18.797 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -0.514 9.243 17.632 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.314 9.105 19.186 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.374 7.448 20.777 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -0.739 8.089 20.968 1.00 0.00 H new ATOM 1939 N SER A 130 -6.259 5.243 19.135 1.00 0.00 N ATOM 1940 CA SER A 130 -5.921 4.691 20.435 1.00 0.00 C ATOM 1941 C SER A 130 -4.957 3.516 20.308 1.00 0.00 C ATOM 1942 O SER A 130 -4.055 3.350 21.127 1.00 0.00 O ATOM 1943 CB SER A 130 -7.200 4.257 21.147 1.00 0.00 C ATOM 1944 OG SER A 130 -8.051 3.543 20.263 1.00 0.00 O ATOM 0 H SER A 130 -7.229 5.095 18.856 1.00 0.00 H new ATOM 0 HA SER A 130 -5.420 5.462 21.020 1.00 0.00 H new ATOM 0 HB2 SER A 130 -6.950 3.631 22.004 1.00 0.00 H new ATOM 0 HB3 SER A 130 -7.722 5.133 21.533 1.00 0.00 H new ATOM 0 HG SER A 130 -8.864 3.272 20.739 1.00 0.00 H new ATOM 1950 N GLU A 131 -5.144 2.707 19.273 1.00 0.00 N ATOM 1951 CA GLU A 131 -4.306 1.536 19.064 1.00 0.00 C ATOM 1952 C GLU A 131 -4.431 1.035 17.634 1.00 0.00 C ATOM 1953 O GLU A 131 -5.229 1.550 16.844 1.00 0.00 O ATOM 1954 CB GLU A 131 -4.694 0.414 20.040 1.00 0.00 C ATOM 1955 CG GLU A 131 -6.106 -0.113 19.833 1.00 0.00 C ATOM 1956 CD GLU A 131 -6.505 -1.147 20.866 1.00 0.00 C ATOM 1957 OE1 GLU A 131 -6.996 -0.756 21.949 1.00 0.00 O ATOM 1958 OE2 GLU A 131 -6.340 -2.358 20.602 1.00 0.00 O ATOM 0 H GLU A 131 -5.868 2.841 18.567 1.00 0.00 H new ATOM 0 HA GLU A 131 -3.271 1.825 19.248 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.988 -0.410 19.932 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -4.599 0.783 21.061 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -6.808 0.720 19.869 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -6.183 -0.552 18.838 1.00 0.00 H new ATOM 1965 N PHE A 132 -3.635 0.028 17.316 1.00 0.00 N ATOM 1966 CA PHE A 132 -3.715 -0.645 16.033 1.00 0.00 C ATOM 1967 C PHE A 132 -4.348 -2.008 16.219 1.00 0.00 C ATOM 1968 O PHE A 132 -4.278 -2.586 17.301 1.00 0.00 O ATOM 1969 CB PHE A 132 -2.329 -0.818 15.406 1.00 0.00 C ATOM 1970 CG PHE A 132 -1.804 0.408 14.721 1.00 0.00 C ATOM 1971 CD1 PHE A 132 -2.067 0.627 13.380 1.00 0.00 C ATOM 1972 CD2 PHE A 132 -1.039 1.331 15.409 1.00 0.00 C ATOM 1973 CE1 PHE A 132 -1.578 1.746 12.738 1.00 0.00 C ATOM 1974 CE2 PHE A 132 -0.548 2.452 14.773 1.00 0.00 C ATOM 1975 CZ PHE A 132 -0.818 2.659 13.437 1.00 0.00 C ATOM 0 H PHE A 132 -2.918 -0.344 17.938 1.00 0.00 H new ATOM 0 HA PHE A 132 -4.321 -0.032 15.366 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -1.626 -1.114 16.184 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -2.369 -1.634 14.685 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -2.662 -0.087 12.830 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -0.824 1.173 16.455 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -1.790 1.906 11.691 1.00 0.00 H new ATOM 0 HE2 PHE A 132 0.048 3.167 15.321 1.00 0.00 H new ATOM 0 HZ PHE A 132 -0.434 3.537 12.938 1.00 0.00 H new ATOM 1985 N HIS A 133 -4.966 -2.511 15.171 1.00 0.00 N ATOM 1986 CA HIS A 133 -5.553 -3.837 15.200 1.00 0.00 C ATOM 1987 C HIS A 133 -4.973 -4.651 14.073 1.00 0.00 C ATOM 1988 O HIS A 133 -4.783 -4.142 12.970 1.00 0.00 O ATOM 1989 CB HIS A 133 -7.075 -3.780 15.043 1.00 0.00 C ATOM 1990 CG HIS A 133 -7.788 -2.956 16.073 1.00 0.00 C ATOM 1991 ND1 HIS A 133 -8.546 -3.505 17.080 1.00 0.00 N ATOM 1992 CD2 HIS A 133 -7.883 -1.615 16.224 1.00 0.00 C ATOM 1993 CE1 HIS A 133 -9.077 -2.540 17.806 1.00 0.00 C ATOM 1994 NE2 HIS A 133 -8.690 -1.380 17.310 1.00 0.00 N ATOM 0 H HIS A 133 -5.076 -2.020 14.284 1.00 0.00 H new ATOM 0 HA HIS A 133 -5.327 -4.292 16.164 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -7.309 -3.382 14.056 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -7.467 -4.796 15.078 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -7.411 -0.867 15.604 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -9.720 -2.676 18.663 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -8.947 -0.462 17.673 1.00 0.00 H new ATOM 2003 N ARG A 134 -4.669 -5.899 14.350 1.00 0.00 N ATOM 2004 CA ARG A 134 -4.129 -6.767 13.331 1.00 0.00 C ATOM 2005 C ARG A 134 -5.179 -7.071 12.284 1.00 0.00 C ATOM 2006 O ARG A 134 -6.285 -7.520 12.596 1.00 0.00 O ATOM 2007 CB ARG A 134 -3.589 -8.049 13.921 1.00 0.00 C ATOM 2008 CG ARG A 134 -2.926 -8.900 12.864 1.00 0.00 C ATOM 2009 CD ARG A 134 -1.787 -9.703 13.424 1.00 0.00 C ATOM 2010 NE ARG A 134 -2.244 -10.934 14.063 1.00 0.00 N ATOM 2011 CZ ARG A 134 -1.801 -12.149 13.748 1.00 0.00 C ATOM 2012 NH1 ARG A 134 -0.866 -12.304 12.819 1.00 0.00 N ATOM 2013 NH2 ARG A 134 -2.296 -13.212 14.368 1.00 0.00 N ATOM 0 H ARG A 134 -4.786 -6.332 15.266 1.00 0.00 H new ATOM 0 HA ARG A 134 -3.298 -6.243 12.858 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -2.871 -7.816 14.707 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -4.401 -8.609 14.386 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -3.663 -9.573 12.425 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -2.559 -8.261 12.061 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -1.089 -9.948 12.624 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -1.241 -9.100 14.149 1.00 0.00 H new ATOM 0 HE ARG A 134 -2.948 -10.858 14.798 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -0.482 -11.489 12.341 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -0.531 -13.238 12.583 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -3.014 -13.097 15.084 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -1.959 -14.145 14.129 1.00 0.00 H new ATOM 2027 N GLU A 135 -4.819 -6.818 11.046 1.00 0.00 N ATOM 2028 CA GLU A 135 -5.719 -7.030 9.930 1.00 0.00 C ATOM 2029 C GLU A 135 -5.593 -8.456 9.430 1.00 0.00 C ATOM 2030 O GLU A 135 -4.646 -9.170 9.774 1.00 0.00 O ATOM 2031 CB GLU A 135 -5.419 -6.039 8.803 1.00 0.00 C ATOM 2032 CG GLU A 135 -6.556 -5.070 8.519 1.00 0.00 C ATOM 2033 CD GLU A 135 -7.705 -5.716 7.776 1.00 0.00 C ATOM 2034 OE1 GLU A 135 -8.208 -6.762 8.227 1.00 0.00 O ATOM 2035 OE2 GLU A 135 -8.108 -5.185 6.720 1.00 0.00 O ATOM 0 H GLU A 135 -3.900 -6.462 10.783 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.742 -6.863 10.267 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -4.525 -5.471 9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -5.192 -6.595 7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -6.922 -4.661 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -6.176 -4.233 7.934 1.00 0.00 H new ATOM 2042 N ASP A 136 -6.543 -8.867 8.617 1.00 0.00 N ATOM 2043 CA ASP A 136 -6.569 -10.228 8.113 1.00 0.00 C ATOM 2044 C ASP A 136 -6.452 -10.222 6.598 1.00 0.00 C ATOM 2045 O ASP A 136 -7.033 -9.366 5.927 1.00 0.00 O ATOM 2046 CB ASP A 136 -7.861 -10.926 8.538 1.00 0.00 C ATOM 2047 CG ASP A 136 -7.720 -12.432 8.580 1.00 0.00 C ATOM 2048 OD1 ASP A 136 -7.652 -13.064 7.511 1.00 0.00 O ATOM 2049 OD2 ASP A 136 -7.680 -12.995 9.697 1.00 0.00 O ATOM 0 H ASP A 136 -7.309 -8.279 8.289 1.00 0.00 H new ATOM 0 HA ASP A 136 -5.724 -10.774 8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -8.158 -10.565 9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -8.659 -10.658 7.846 1.00 0.00 H new ATOM 2054 N ILE A 137 -5.691 -11.159 6.060 1.00 0.00 N ATOM 2055 CA ILE A 137 -5.500 -11.244 4.624 1.00 0.00 C ATOM 2056 C ILE A 137 -6.457 -12.262 4.025 1.00 0.00 C ATOM 2057 O ILE A 137 -6.352 -13.462 4.287 1.00 0.00 O ATOM 2058 CB ILE A 137 -4.046 -11.631 4.273 1.00 0.00 C ATOM 2059 CG1 ILE A 137 -3.054 -10.635 4.894 1.00 0.00 C ATOM 2060 CG2 ILE A 137 -3.863 -11.698 2.763 1.00 0.00 C ATOM 2061 CD1 ILE A 137 -3.252 -9.205 4.436 1.00 0.00 C ATOM 0 H ILE A 137 -5.196 -11.871 6.596 1.00 0.00 H new ATOM 0 HA ILE A 137 -5.706 -10.260 4.203 1.00 0.00 H new ATOM 0 HB ILE A 137 -3.843 -12.618 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -3.146 -10.675 5.979 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.039 -10.947 4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.833 -11.972 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.539 -12.446 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.086 -10.725 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -2.515 -8.563 4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -3.130 -9.149 3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -4.254 -8.872 4.706 1.00 0.00 H new ATOM 2073 N VAL A 138 -7.388 -11.774 3.221 1.00 0.00 N ATOM 2074 CA VAL A 138 -8.380 -12.618 2.587 1.00 0.00 C ATOM 2075 C VAL A 138 -8.515 -12.273 1.114 1.00 0.00 C ATOM 2076 O VAL A 138 -8.228 -11.150 0.701 1.00 0.00 O ATOM 2077 CB VAL A 138 -9.762 -12.482 3.259 1.00 0.00 C ATOM 2078 CG1 VAL A 138 -9.806 -13.255 4.564 1.00 0.00 C ATOM 2079 CG2 VAL A 138 -10.112 -11.021 3.502 1.00 0.00 C ATOM 0 H VAL A 138 -7.475 -10.784 2.992 1.00 0.00 H new ATOM 0 HA VAL A 138 -8.037 -13.647 2.698 1.00 0.00 H new ATOM 0 HB VAL A 138 -10.503 -12.904 2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -10.790 -13.144 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -9.613 -14.310 4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -9.046 -12.867 5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -11.091 -10.955 3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -9.362 -10.571 4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -10.133 -10.489 2.551 1.00 0.00 H new ATOM 2089 N ARG A 139 -8.946 -13.245 0.325 1.00 0.00 N ATOM 2090 CA ARG A 139 -9.179 -13.025 -1.087 1.00 0.00 C ATOM 2091 C ARG A 139 -10.559 -12.413 -1.285 1.00 0.00 C ATOM 2092 O ARG A 139 -11.491 -12.732 -0.545 1.00 0.00 O ATOM 2093 CB ARG A 139 -9.112 -14.340 -1.871 1.00 0.00 C ATOM 2094 CG ARG A 139 -7.820 -15.134 -1.712 1.00 0.00 C ATOM 2095 CD ARG A 139 -7.873 -16.056 -0.504 1.00 0.00 C ATOM 2096 NE ARG A 139 -7.052 -17.247 -0.693 1.00 0.00 N ATOM 2097 CZ ARG A 139 -7.139 -18.347 0.057 1.00 0.00 C ATOM 2098 NH1 ARG A 139 -7.969 -18.391 1.093 1.00 0.00 N ATOM 2099 NH2 ARG A 139 -6.400 -19.408 -0.227 1.00 0.00 N ATOM 0 H ARG A 139 -9.141 -14.194 0.643 1.00 0.00 H new ATOM 0 HA ARG A 139 -8.404 -12.353 -1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.946 -14.970 -1.561 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -9.255 -14.120 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -7.641 -15.723 -2.612 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -6.980 -14.447 -1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -7.532 -15.517 0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -8.905 -16.352 -0.318 1.00 0.00 H new ATOM 0 HE ARG A 139 -6.366 -17.238 -1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -8.545 -17.580 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -8.030 -19.235 1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -5.761 -19.387 -1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -6.470 -20.247 0.349 1.00 0.00 H new ATOM 2113 N PRO A 140 -10.711 -11.513 -2.261 1.00 0.00 N ATOM 2114 CA PRO A 140 -12.027 -11.037 -2.664 1.00 0.00 C ATOM 2115 C PRO A 140 -12.797 -12.152 -3.362 1.00 0.00 C ATOM 2116 O PRO A 140 -12.322 -12.706 -4.356 1.00 0.00 O ATOM 2117 CB PRO A 140 -11.727 -9.887 -3.627 1.00 0.00 C ATOM 2118 CG PRO A 140 -10.344 -10.142 -4.125 1.00 0.00 C ATOM 2119 CD PRO A 140 -9.626 -10.893 -3.036 1.00 0.00 C ATOM 0 HA PRO A 140 -12.644 -10.719 -1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -12.443 -9.865 -4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -11.792 -8.923 -3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.365 -10.723 -5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -9.834 -9.205 -4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -8.949 -11.642 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -9.025 -10.225 -2.419 1.00 0.00 H new ATOM 2127 N ASP A 141 -13.966 -12.492 -2.817 1.00 0.00 N ATOM 2128 CA ASP A 141 -14.772 -13.612 -3.315 1.00 0.00 C ATOM 2129 C ASP A 141 -14.921 -13.538 -4.829 1.00 0.00 C ATOM 2130 O ASP A 141 -15.144 -12.454 -5.375 1.00 0.00 O ATOM 2131 CB ASP A 141 -16.155 -13.604 -2.659 1.00 0.00 C ATOM 2132 CG ASP A 141 -16.835 -14.962 -2.696 1.00 0.00 C ATOM 2133 OD1 ASP A 141 -17.450 -15.305 -3.727 1.00 0.00 O ATOM 2134 OD2 ASP A 141 -16.762 -15.699 -1.687 1.00 0.00 O ATOM 0 H ASP A 141 -14.380 -12.004 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 141 -14.259 -14.539 -3.059 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -16.058 -13.280 -1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -16.787 -12.873 -3.164 1.00 0.00 H new