USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 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 NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 57 SER OG : rot -70:sc= 1.02 USER MOD Set 1.2: A 58 THR OG1 : rot 27:sc= -0.0487 USER MOD Single : A 1 ALA N :NH3+ 143:sc= 0.013 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -3.95! C(o=-3.9!,f=-3.8!) USER MOD Single : A 11 THR OG1 : rot -99:sc= -1.29! USER MOD Single : A 13 GLN :FLIP amide:sc= -5.81! C(o=-8.3!,f=-5.8!) USER MOD Single : A 15 ASN : amide:sc= -19.9! C(o=-20!,f=-23!) USER MOD Single : A 19 SER OG : rot 28:sc= 1.06 USER MOD Single : A 20 GLN : amide:sc= -0.156 K(o=-0.16,f=-5.3!) USER MOD Single : A 27 GLN : amide:sc= -5.32! C(o=-5.3!,f=-9.6!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 70:sc= 1.23 USER MOD Single : A 44 LYS NZ :NH3+ 146:sc= -0.189 (180deg=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc=-0.00694 (180deg=-0.149) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 150:sc= -0.259 (180deg=-1.15) USER MOD Single : A 50 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.068) USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= -0.0696 (180deg=-0.103) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 55 SER OG : rot 180:sc= -0.166 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.87 USER MOD Single : A 71 MET CE :methyl -148:sc= -8.42! (180deg=-13.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -24.8! C(o=-25!,f=-26!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -3.49! USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.532 F(o=-1.3,f=-0.53) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0.458 K(o=0.46,f=-2.7!) USER MOD Single : A 91 LYS NZ :NH3+ -129:sc= -0.0961 (180deg=-0.713) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A1052 NAG O3 : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot 30:sc= 0.00311 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot -153:sc= 1.09 USER MOD Single : A1078 NAG O6 : rot 180:sc= 0.889 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.618 23.994 13.321 1.00 0.00 N ATOM 2 CA ALA A 1 -9.476 23.526 14.148 1.00 0.00 C ATOM 3 C ALA A 1 -9.087 22.099 13.782 1.00 0.00 C ATOM 4 O ALA A 1 -9.945 21.263 13.498 1.00 0.00 O ATOM 5 CB ALA A 1 -9.824 23.616 15.626 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.246 24.588 13.900 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.260 24.549 12.518 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.149 23.173 12.966 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.622 24.173 13.947 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.979 23.270 16.221 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.050 24.651 15.884 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.693 22.992 15.834 1.00 0.00 H new ATOM 13 N PRO A 2 -7.779 21.802 13.787 1.00 0.00 N ATOM 14 CA PRO A 2 -7.266 20.472 13.457 1.00 0.00 C ATOM 15 C PRO A 2 -7.375 19.502 14.629 1.00 0.00 C ATOM 16 O PRO A 2 -6.464 18.712 14.878 1.00 0.00 O ATOM 17 CB PRO A 2 -5.801 20.750 13.133 1.00 0.00 C ATOM 18 CG PRO A 2 -5.446 21.905 14.003 1.00 0.00 C ATOM 19 CD PRO A 2 -6.693 22.746 14.116 1.00 0.00 C ATOM 0 HA PRO A 2 -7.823 20.001 12.647 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.175 19.884 13.346 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.665 20.990 12.078 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.115 21.566 14.985 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.627 22.480 13.572 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.810 23.158 15.119 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.672 23.589 13.426 1.00 0.00 H new ATOM 27 N ASP A 3 -8.492 19.567 15.348 1.00 0.00 N ATOM 28 CA ASP A 3 -8.713 18.695 16.496 1.00 0.00 C ATOM 29 C ASP A 3 -9.140 17.302 16.050 1.00 0.00 C ATOM 30 O ASP A 3 -9.062 16.971 14.868 1.00 0.00 O ATOM 31 CB ASP A 3 -9.775 19.291 17.421 1.00 0.00 C ATOM 32 CG ASP A 3 -11.166 19.223 16.824 1.00 0.00 C ATOM 33 OD1 ASP A 3 -11.276 19.149 15.582 1.00 0.00 O ATOM 34 OD2 ASP A 3 -12.145 19.242 17.598 1.00 0.00 O ATOM 0 H ASP A 3 -9.257 20.214 15.156 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.772 18.611 17.039 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.764 18.759 18.372 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.525 20.330 17.635 1.00 0.00 H new ATOM 39 N VAL A 4 -9.592 16.498 17.012 1.00 0.00 N ATOM 40 CA VAL A 4 -10.040 15.131 16.749 1.00 0.00 C ATOM 41 C VAL A 4 -10.116 14.834 15.256 1.00 0.00 C ATOM 42 O VAL A 4 -11.202 14.793 14.678 1.00 0.00 O ATOM 43 CB VAL A 4 -11.421 14.869 17.379 1.00 0.00 C ATOM 44 CG1 VAL A 4 -11.326 14.872 18.897 1.00 0.00 C ATOM 45 CG2 VAL A 4 -12.431 15.901 16.900 1.00 0.00 C ATOM 0 H VAL A 4 -9.658 16.774 17.992 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.299 14.472 17.201 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.763 13.884 17.061 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.312 14.685 19.324 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.637 14.092 19.220 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.961 15.841 19.237 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -13.401 15.700 17.356 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -12.096 16.898 17.186 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.521 15.845 15.815 1.00 0.00 H new ATOM 55 N GLN A 5 -8.957 14.626 14.637 1.00 0.00 N ATOM 56 CA GLN A 5 -8.897 14.334 13.209 1.00 0.00 C ATOM 57 C GLN A 5 -7.452 14.258 12.722 1.00 0.00 C ATOM 58 O GLN A 5 -7.094 14.857 11.709 1.00 0.00 O ATOM 59 CB GLN A 5 -9.669 15.397 12.423 1.00 0.00 C ATOM 60 CG GLN A 5 -8.862 16.649 12.111 1.00 0.00 C ATOM 61 CD GLN A 5 -9.737 17.849 11.792 1.00 0.00 C ATOM 62 OE1 GLN A 5 -9.234 18.938 11.516 1.00 0.00 O ATOM 63 NE2 GLN A 5 -11.054 17.660 11.823 1.00 0.00 N ATOM 0 H GLN A 5 -8.049 14.654 15.101 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.359 13.361 13.040 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.017 14.960 11.487 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.555 15.681 12.991 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.224 16.886 12.963 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.204 16.450 11.265 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.432 16.742 12.056 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.685 18.433 11.613 1.00 0.00 H new ATOM 72 N ASP A 6 -6.627 13.512 13.450 1.00 0.00 N ATOM 73 CA ASP A 6 -5.222 13.352 13.093 1.00 0.00 C ATOM 74 C ASP A 6 -5.073 12.586 11.782 1.00 0.00 C ATOM 75 O ASP A 6 -5.983 11.869 11.364 1.00 0.00 O ATOM 76 CB ASP A 6 -4.471 12.621 14.207 1.00 0.00 C ATOM 77 CG ASP A 6 -2.991 12.950 14.219 1.00 0.00 C ATOM 78 OD1 ASP A 6 -2.442 13.250 13.138 1.00 0.00 O ATOM 79 OD2 ASP A 6 -2.382 12.908 15.308 1.00 0.00 O ATOM 0 H ASP A 6 -6.908 13.008 14.291 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.794 14.346 12.963 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.907 12.886 15.170 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.600 11.546 14.084 1.00 0.00 H new ATOM 84 N CYS A 7 -3.919 12.738 11.140 1.00 0.00 N ATOM 85 CA CYS A 7 -3.652 12.055 9.879 1.00 0.00 C ATOM 86 C CYS A 7 -3.672 10.543 10.069 1.00 0.00 C ATOM 87 O CYS A 7 -2.753 9.971 10.655 1.00 0.00 O ATOM 88 CB CYS A 7 -2.295 12.485 9.316 1.00 0.00 C ATOM 89 SG CYS A 7 -1.919 11.793 7.671 1.00 0.00 S ATOM 0 H CYS A 7 -3.155 13.327 11.471 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.436 12.331 9.174 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.267 13.573 9.256 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.513 12.184 10.013 1.00 0.00 H new ATOM 94 N PRO A 8 -4.719 9.872 9.568 1.00 0.00 N ATOM 95 CA PRO A 8 -4.845 8.419 9.680 1.00 0.00 C ATOM 96 C PRO A 8 -3.820 7.699 8.817 1.00 0.00 C ATOM 97 O PRO A 8 -3.664 8.010 7.636 1.00 0.00 O ATOM 98 CB PRO A 8 -6.261 8.139 9.175 1.00 0.00 C ATOM 99 CG PRO A 8 -6.576 9.282 8.275 1.00 0.00 C ATOM 100 CD PRO A 8 -5.854 10.473 8.846 1.00 0.00 C ATOM 0 HA PRO A 8 -4.672 8.067 10.697 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.310 7.190 8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.971 8.078 10.000 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.247 9.078 7.256 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.650 9.461 8.233 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.517 11.152 8.063 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.495 11.049 9.513 1.00 0.00 H new ATOM 108 N GLU A 9 -3.121 6.741 9.411 1.00 0.00 N ATOM 109 CA GLU A 9 -2.110 5.981 8.694 1.00 0.00 C ATOM 110 C GLU A 9 -2.632 5.519 7.351 1.00 0.00 C ATOM 111 O GLU A 9 -3.741 5.864 6.948 1.00 0.00 O ATOM 112 CB GLU A 9 -1.686 4.763 9.504 1.00 0.00 C ATOM 113 CG GLU A 9 -0.517 5.025 10.433 1.00 0.00 C ATOM 114 CD GLU A 9 -0.886 4.866 11.896 1.00 0.00 C ATOM 115 OE1 GLU A 9 -1.090 3.714 12.335 1.00 0.00 O ATOM 116 OE2 GLU A 9 -0.969 5.892 12.602 1.00 0.00 O ATOM 0 H GLU A 9 -3.237 6.473 10.388 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.253 6.636 8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.535 4.416 10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.421 3.957 8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.295 4.340 10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.143 6.035 10.264 1.00 0.00 H new ATOM 123 N CYS A 10 -1.825 4.719 6.670 1.00 0.00 N ATOM 124 CA CYS A 10 -2.204 4.187 5.376 1.00 0.00 C ATOM 125 C CYS A 10 -3.627 3.656 5.432 1.00 0.00 C ATOM 126 O CYS A 10 -3.857 2.462 5.616 1.00 0.00 O ATOM 127 CB CYS A 10 -1.242 3.084 4.944 1.00 0.00 C ATOM 128 SG CYS A 10 -0.804 3.148 3.176 1.00 0.00 S ATOM 0 H CYS A 10 -0.904 4.426 6.995 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.153 4.990 4.640 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.331 3.155 5.538 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.691 2.115 5.164 1.00 0.00 H new ATOM 133 N THR A 11 -4.574 4.563 5.267 1.00 0.00 N ATOM 134 CA THR A 11 -5.984 4.221 5.290 1.00 0.00 C ATOM 135 C THR A 11 -6.404 3.793 3.896 1.00 0.00 C ATOM 136 O THR A 11 -5.705 3.009 3.260 1.00 0.00 O ATOM 137 CB THR A 11 -6.811 5.414 5.806 1.00 0.00 C ATOM 138 OG1 THR A 11 -8.036 5.539 5.107 1.00 0.00 O ATOM 139 CG2 THR A 11 -6.092 6.749 5.713 1.00 0.00 C ATOM 0 H THR A 11 -4.387 5.554 5.114 1.00 0.00 H new ATOM 0 HA THR A 11 -6.164 3.391 5.973 1.00 0.00 H new ATOM 0 HB THR A 11 -6.982 5.186 6.858 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.950 6.229 4.416 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.739 7.538 6.095 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.177 6.712 6.305 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.843 6.956 4.672 1.00 0.00 H new ATOM 147 N LEU A 12 -7.514 4.310 3.410 1.00 0.00 N ATOM 148 CA LEU A 12 -7.977 3.976 2.070 1.00 0.00 C ATOM 149 C LEU A 12 -8.361 5.232 1.317 1.00 0.00 C ATOM 150 O LEU A 12 -9.088 6.082 1.830 1.00 0.00 O ATOM 151 CB LEU A 12 -9.153 3.008 2.120 1.00 0.00 C ATOM 152 CG LEU A 12 -8.776 1.531 2.031 1.00 0.00 C ATOM 153 CD1 LEU A 12 -7.738 1.185 3.084 1.00 0.00 C ATOM 154 CD2 LEU A 12 -10.013 0.670 2.190 1.00 0.00 C ATOM 0 H LEU A 12 -8.113 4.961 3.917 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.158 3.486 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.701 3.173 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.834 3.244 1.302 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.342 1.335 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.480 0.129 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.845 1.789 2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.143 1.388 4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.735 -0.382 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.470 0.865 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.725 0.906 1.399 1.00 0.00 H new ATOM 166 N GLN A 13 -7.853 5.353 0.102 1.00 0.00 N ATOM 167 CA GLN A 13 -8.132 6.518 -0.712 1.00 0.00 C ATOM 168 C GLN A 13 -9.106 6.205 -1.819 1.00 0.00 C ATOM 169 O GLN A 13 -8.850 6.475 -2.992 1.00 0.00 O ATOM 170 CB GLN A 13 -6.858 7.063 -1.298 1.00 0.00 C ATOM 171 CG GLN A 13 -6.293 8.224 -0.504 1.00 0.00 C ATOM 172 CD GLN A 13 -4.813 8.440 -0.745 1.00 0.00 C ATOM 173 OE1 GLN A 13 -4.196 9.262 0.094 1.00 0.00 O flip ATOM 174 NE2 GLN A 13 -4.232 7.872 -1.670 1.00 0.00 N flip ATOM 0 H GLN A 13 -7.248 4.660 -0.339 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.586 7.268 -0.064 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.116 6.266 -1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.044 7.386 -2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.835 9.133 -0.765 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.461 8.047 0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.748 7.248 -2.290 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.234 8.025 -1.816 1.00 0.00 H new ATOM 183 N GLU A 14 -10.212 5.627 -1.415 1.00 0.00 N ATOM 184 CA GLU A 14 -11.284 5.238 -2.327 1.00 0.00 C ATOM 185 C GLU A 14 -10.980 5.665 -3.745 1.00 0.00 C ATOM 186 O GLU A 14 -10.730 6.837 -4.028 1.00 0.00 O ATOM 187 CB GLU A 14 -12.623 5.824 -1.905 1.00 0.00 C ATOM 188 CG GLU A 14 -13.742 5.545 -2.897 1.00 0.00 C ATOM 189 CD GLU A 14 -14.781 6.650 -2.936 1.00 0.00 C ATOM 190 OE1 GLU A 14 -14.548 7.661 -3.632 1.00 0.00 O ATOM 191 OE2 GLU A 14 -15.828 6.504 -2.271 1.00 0.00 O ATOM 0 H GLU A 14 -10.404 5.408 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.348 4.151 -2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.899 5.417 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.517 6.902 -1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.316 5.418 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.228 4.605 -2.635 1.00 0.00 H new ATOM 198 N ASN A 15 -10.991 4.693 -4.619 1.00 0.00 N ATOM 199 CA ASN A 15 -10.697 4.914 -6.016 1.00 0.00 C ATOM 200 C ASN A 15 -11.747 5.759 -6.714 1.00 0.00 C ATOM 201 O ASN A 15 -12.846 5.289 -7.007 1.00 0.00 O ATOM 202 CB ASN A 15 -10.541 3.594 -6.746 1.00 0.00 C ATOM 203 CG ASN A 15 -9.244 3.540 -7.517 1.00 0.00 C ATOM 204 OD1 ASN A 15 -9.149 4.035 -8.639 1.00 0.00 O ATOM 205 ND2 ASN A 15 -8.236 2.940 -6.914 1.00 0.00 N ATOM 0 H ASN A 15 -11.204 3.723 -4.385 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.758 5.467 -6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.574 2.774 -6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.378 3.453 -7.430 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.331 2.872 -7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.362 2.544 -5.983 1.00 0.00 H new ATOM 212 N PRO A 16 -11.393 7.007 -7.049 1.00 0.00 N ATOM 213 CA PRO A 16 -12.273 7.896 -7.778 1.00 0.00 C ATOM 214 C PRO A 16 -12.193 7.573 -9.260 1.00 0.00 C ATOM 215 O PRO A 16 -12.771 8.253 -10.108 1.00 0.00 O ATOM 216 CB PRO A 16 -11.724 9.294 -7.482 1.00 0.00 C ATOM 217 CG PRO A 16 -10.349 9.102 -6.908 1.00 0.00 C ATOM 218 CD PRO A 16 -10.085 7.618 -6.802 1.00 0.00 C ATOM 0 HA PRO A 16 -13.321 7.807 -7.491 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.684 9.895 -8.390 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.367 9.822 -6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.602 9.577 -7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.277 9.572 -5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.347 7.291 -7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.699 7.351 -5.818 1.00 0.00 H new ATOM 226 N PHE A 17 -11.461 6.502 -9.535 1.00 0.00 N ATOM 227 CA PHE A 17 -11.251 6.000 -10.881 1.00 0.00 C ATOM 228 C PHE A 17 -12.249 4.892 -11.181 1.00 0.00 C ATOM 229 O PHE A 17 -12.976 4.935 -12.174 1.00 0.00 O ATOM 230 CB PHE A 17 -9.827 5.449 -10.996 1.00 0.00 C ATOM 231 CG PHE A 17 -9.353 5.278 -12.406 1.00 0.00 C ATOM 232 CD1 PHE A 17 -10.237 5.386 -13.464 1.00 0.00 C ATOM 233 CD2 PHE A 17 -8.020 5.016 -12.669 1.00 0.00 C ATOM 234 CE1 PHE A 17 -9.798 5.234 -14.766 1.00 0.00 C ATOM 235 CE2 PHE A 17 -7.574 4.864 -13.968 1.00 0.00 C ATOM 236 CZ PHE A 17 -8.464 4.974 -15.019 1.00 0.00 C ATOM 0 H PHE A 17 -10.991 5.951 -8.817 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.392 6.811 -11.596 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.145 6.120 -10.473 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.779 4.486 -10.488 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.280 5.591 -13.271 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.321 4.929 -11.850 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.497 5.318 -15.585 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.531 4.660 -14.161 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.118 4.857 -16.036 1.00 0.00 H new ATOM 246 N PHE A 18 -12.270 3.899 -10.300 1.00 0.00 N ATOM 247 CA PHE A 18 -13.165 2.760 -10.434 1.00 0.00 C ATOM 248 C PHE A 18 -14.495 3.032 -9.736 1.00 0.00 C ATOM 249 O PHE A 18 -15.389 2.185 -9.719 1.00 0.00 O ATOM 250 CB PHE A 18 -12.488 1.530 -9.841 1.00 0.00 C ATOM 251 CG PHE A 18 -11.012 1.498 -10.121 1.00 0.00 C ATOM 252 CD1 PHE A 18 -10.551 1.450 -11.422 1.00 0.00 C ATOM 253 CD2 PHE A 18 -10.088 1.532 -9.090 1.00 0.00 C ATOM 254 CE1 PHE A 18 -9.197 1.433 -11.694 1.00 0.00 C ATOM 255 CE2 PHE A 18 -8.730 1.517 -9.359 1.00 0.00 C ATOM 256 CZ PHE A 18 -8.286 1.467 -10.662 1.00 0.00 C ATOM 0 H PHE A 18 -11.669 3.862 -9.477 1.00 0.00 H new ATOM 0 HA PHE A 18 -13.377 2.587 -11.489 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.651 1.513 -8.763 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -12.952 0.632 -10.248 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.259 1.425 -12.237 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.430 1.571 -8.066 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.853 1.393 -12.717 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.019 1.545 -8.547 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.227 1.455 -10.873 1.00 0.00 H new ATOM 266 N SER A 19 -14.610 4.226 -9.164 1.00 0.00 N ATOM 267 CA SER A 19 -15.815 4.641 -8.460 1.00 0.00 C ATOM 268 C SER A 19 -17.053 4.456 -9.328 1.00 0.00 C ATOM 269 O SER A 19 -17.237 5.151 -10.327 1.00 0.00 O ATOM 270 CB SER A 19 -15.700 6.105 -8.033 1.00 0.00 C ATOM 271 OG SER A 19 -15.708 6.968 -9.159 1.00 0.00 O ATOM 0 H SER A 19 -13.872 4.930 -9.176 1.00 0.00 H new ATOM 0 HA SER A 19 -15.918 4.012 -7.576 1.00 0.00 H new ATOM 0 HB2 SER A 19 -16.527 6.360 -7.370 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.780 6.250 -7.466 1.00 0.00 H new ATOM 0 HG SER A 19 -16.204 6.546 -9.891 1.00 0.00 H new ATOM 277 N GLN A 20 -17.900 3.520 -8.929 1.00 0.00 N ATOM 278 CA GLN A 20 -19.134 3.236 -9.654 1.00 0.00 C ATOM 279 C GLN A 20 -20.347 3.399 -8.744 1.00 0.00 C ATOM 280 O GLN A 20 -20.222 3.399 -7.520 1.00 0.00 O ATOM 281 CB GLN A 20 -19.107 1.817 -10.227 1.00 0.00 C ATOM 282 CG GLN A 20 -18.000 1.593 -11.242 1.00 0.00 C ATOM 283 CD GLN A 20 -18.325 2.188 -12.597 1.00 0.00 C ATOM 284 OE1 GLN A 20 -19.231 3.011 -12.724 1.00 0.00 O ATOM 285 NE2 GLN A 20 -17.587 1.773 -13.618 1.00 0.00 N ATOM 0 H GLN A 20 -17.756 2.940 -8.103 1.00 0.00 H new ATOM 0 HA GLN A 20 -19.212 3.950 -10.474 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -18.988 1.106 -9.409 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -20.068 1.605 -10.697 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -17.075 2.032 -10.869 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -17.823 0.523 -11.352 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -16.846 1.089 -13.467 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -17.761 2.138 -14.554 1.00 0.00 H new ATOM 294 N PRO A 21 -21.543 3.539 -9.337 1.00 0.00 N ATOM 295 CA PRO A 21 -22.786 3.700 -8.578 1.00 0.00 C ATOM 296 C PRO A 21 -23.037 2.527 -7.638 1.00 0.00 C ATOM 297 O PRO A 21 -23.918 1.703 -7.880 1.00 0.00 O ATOM 298 CB PRO A 21 -23.870 3.757 -9.659 1.00 0.00 C ATOM 299 CG PRO A 21 -23.150 4.140 -10.907 1.00 0.00 C ATOM 300 CD PRO A 21 -21.776 3.546 -10.789 1.00 0.00 C ATOM 0 HA PRO A 21 -22.761 4.584 -7.941 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -24.368 2.794 -9.770 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -24.640 4.486 -9.408 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -23.666 3.759 -11.788 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -23.099 5.224 -11.012 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -21.733 2.541 -11.210 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -21.031 4.144 -11.315 1.00 0.00 H new ATOM 308 N GLY A 22 -22.253 2.455 -6.569 1.00 0.00 N ATOM 309 CA GLY A 22 -22.403 1.376 -5.612 1.00 0.00 C ATOM 310 C GLY A 22 -21.095 0.676 -5.326 1.00 0.00 C ATOM 311 O GLY A 22 -21.061 -0.322 -4.607 1.00 0.00 O ATOM 0 H GLY A 22 -21.516 3.125 -6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.811 1.772 -4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.124 0.653 -5.994 1.00 0.00 H new ATOM 315 N ALA A 23 -20.015 1.196 -5.894 1.00 0.00 N ATOM 316 CA ALA A 23 -18.700 0.609 -5.697 1.00 0.00 C ATOM 317 C ALA A 23 -17.608 1.635 -5.879 1.00 0.00 C ATOM 318 O ALA A 23 -17.212 1.978 -6.994 1.00 0.00 O ATOM 319 CB ALA A 23 -18.509 -0.566 -6.632 1.00 0.00 C ATOM 0 H ALA A 23 -20.025 2.021 -6.493 1.00 0.00 H new ATOM 0 HA ALA A 23 -18.635 0.248 -4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.521 -0.998 -6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -19.270 -1.319 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -18.598 -0.228 -7.664 1.00 0.00 H new ATOM 325 N PRO A 24 -17.132 2.143 -4.749 1.00 0.00 N ATOM 326 CA PRO A 24 -16.107 3.149 -4.667 1.00 0.00 C ATOM 327 C PRO A 24 -14.761 2.569 -4.268 1.00 0.00 C ATOM 328 O PRO A 24 -14.328 2.698 -3.126 1.00 0.00 O ATOM 329 CB PRO A 24 -16.680 4.028 -3.562 1.00 0.00 C ATOM 330 CG PRO A 24 -17.457 3.093 -2.674 1.00 0.00 C ATOM 331 CD PRO A 24 -17.591 1.792 -3.412 1.00 0.00 C ATOM 0 HA PRO A 24 -15.902 3.659 -5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.887 4.529 -3.007 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -17.323 4.806 -3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.942 2.946 -1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.438 3.508 -2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.980 1.007 -2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.620 1.432 -3.417 1.00 0.00 H new ATOM 339 N ILE A 25 -14.123 1.919 -5.227 1.00 0.00 N ATOM 340 CA ILE A 25 -12.836 1.297 -5.032 1.00 0.00 C ATOM 341 C ILE A 25 -11.912 2.092 -4.126 1.00 0.00 C ATOM 342 O ILE A 25 -12.313 3.089 -3.532 1.00 0.00 O ATOM 343 CB ILE A 25 -12.186 1.061 -6.392 1.00 0.00 C ATOM 344 CG1 ILE A 25 -13.026 0.052 -7.128 1.00 0.00 C ATOM 345 CG2 ILE A 25 -10.786 0.520 -6.217 1.00 0.00 C ATOM 346 CD1 ILE A 25 -13.343 -1.118 -6.240 1.00 0.00 C ATOM 0 H ILE A 25 -14.493 1.811 -6.171 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.005 0.349 -4.522 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.124 1.997 -6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.950 0.519 -7.468 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.497 -0.292 -8.017 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.334 0.356 -7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.186 1.237 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.826 -0.424 -5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.951 -1.837 -6.789 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.416 -1.595 -5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.892 -0.772 -5.364 1.00 0.00 H new ATOM 358 N LEU A 26 -10.686 1.597 -3.969 1.00 0.00 N ATOM 359 CA LEU A 26 -9.723 2.205 -3.076 1.00 0.00 C ATOM 360 C LEU A 26 -8.303 1.977 -3.500 1.00 0.00 C ATOM 361 O LEU A 26 -8.010 1.618 -4.637 1.00 0.00 O ATOM 362 CB LEU A 26 -9.920 1.570 -1.725 1.00 0.00 C ATOM 363 CG LEU A 26 -11.229 0.836 -1.634 1.00 0.00 C ATOM 364 CD1 LEU A 26 -11.091 -0.431 -0.824 1.00 0.00 C ATOM 365 CD2 LEU A 26 -12.315 1.736 -1.076 1.00 0.00 C ATOM 0 H LEU A 26 -10.342 0.770 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.887 3.283 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.102 0.878 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.881 2.339 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.523 0.546 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.054 -0.939 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.358 -1.086 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.761 -0.184 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.253 1.183 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.032 2.073 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.442 2.600 -1.728 1.00 0.00 H new ATOM 377 N GLN A 27 -7.438 2.179 -2.533 1.00 0.00 N ATOM 378 CA GLN A 27 -6.003 1.985 -2.725 1.00 0.00 C ATOM 379 C GLN A 27 -5.185 2.571 -1.578 1.00 0.00 C ATOM 380 O GLN A 27 -4.254 3.343 -1.798 1.00 0.00 O ATOM 381 CB GLN A 27 -5.548 2.582 -4.053 1.00 0.00 C ATOM 382 CG GLN A 27 -4.336 1.880 -4.645 1.00 0.00 C ATOM 383 CD GLN A 27 -3.097 2.020 -3.782 1.00 0.00 C ATOM 384 OE1 GLN A 27 -3.074 1.582 -2.632 1.00 0.00 O ATOM 385 NE2 GLN A 27 -2.055 2.629 -4.338 1.00 0.00 N ATOM 0 H GLN A 27 -7.698 2.481 -1.594 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.828 0.909 -2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.371 2.534 -4.766 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.313 3.636 -3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.563 0.822 -4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.132 2.289 -5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.118 2.977 -5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.192 2.749 -3.808 1.00 0.00 H new ATOM 394 N CYS A 28 -5.534 2.173 -0.362 1.00 0.00 N ATOM 395 CA CYS A 28 -4.841 2.616 0.848 1.00 0.00 C ATOM 396 C CYS A 28 -4.263 4.025 0.717 1.00 0.00 C ATOM 397 O CYS A 28 -3.426 4.294 -0.143 1.00 0.00 O ATOM 398 CB CYS A 28 -3.723 1.636 1.211 1.00 0.00 C ATOM 399 SG CYS A 28 -3.563 1.322 2.999 1.00 0.00 S ATOM 0 H CYS A 28 -6.307 1.532 -0.183 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.587 2.641 1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.904 0.690 0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.777 2.025 0.835 1.00 0.00 H new ATOM 404 N MET A 29 -4.707 4.916 1.598 1.00 0.00 N ATOM 405 CA MET A 29 -4.238 6.295 1.610 1.00 0.00 C ATOM 406 C MET A 29 -2.720 6.365 1.775 1.00 0.00 C ATOM 407 O MET A 29 -1.979 6.341 0.792 1.00 0.00 O ATOM 408 CB MET A 29 -4.927 7.067 2.737 1.00 0.00 C ATOM 409 CG MET A 29 -4.568 8.540 2.776 1.00 0.00 C ATOM 410 SD MET A 29 -4.358 9.163 4.453 1.00 0.00 S ATOM 411 CE MET A 29 -5.567 10.484 4.467 1.00 0.00 C ATOM 0 H MET A 29 -5.397 4.704 2.318 1.00 0.00 H new ATOM 0 HA MET A 29 -4.491 6.749 0.652 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.007 6.968 2.626 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.662 6.612 3.692 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.647 8.700 2.216 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.349 9.113 2.276 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.561 10.972 5.442 1.00 0.00 H new ATOM 0 HE2 MET A 29 -5.319 11.212 3.695 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.558 10.073 4.273 1.00 0.00 H new ATOM 421 N GLY A 30 -2.262 6.454 3.023 1.00 0.00 N ATOM 422 CA GLY A 30 -0.835 6.528 3.287 1.00 0.00 C ATOM 423 C GLY A 30 -0.474 7.657 4.235 1.00 0.00 C ATOM 424 O GLY A 30 -0.623 8.832 3.896 1.00 0.00 O ATOM 0 H GLY A 30 -2.853 6.476 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.498 5.582 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.302 6.664 2.346 1.00 0.00 H new ATOM 428 N CYS A 31 0.005 7.300 5.424 1.00 0.00 N ATOM 429 CA CYS A 31 0.392 8.289 6.426 1.00 0.00 C ATOM 430 C CYS A 31 1.095 7.623 7.608 1.00 0.00 C ATOM 431 O CYS A 31 0.576 7.606 8.724 1.00 0.00 O ATOM 432 CB CYS A 31 -0.835 9.060 6.916 1.00 0.00 C ATOM 433 SG CYS A 31 -0.444 10.446 8.033 1.00 0.00 S ATOM 0 H CYS A 31 0.135 6.332 5.717 1.00 0.00 H new ATOM 0 HA CYS A 31 1.087 8.987 5.959 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.378 9.445 6.053 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.503 8.370 7.431 1.00 0.00 H new ATOM 438 N CYS A 32 2.279 7.076 7.350 1.00 0.00 N ATOM 439 CA CYS A 32 3.061 6.407 8.386 1.00 0.00 C ATOM 440 C CYS A 32 4.300 5.759 7.785 1.00 0.00 C ATOM 441 O CYS A 32 4.479 4.544 7.870 1.00 0.00 O ATOM 442 CB CYS A 32 2.217 5.345 9.090 1.00 0.00 C ATOM 443 SG CYS A 32 1.326 4.234 7.953 1.00 0.00 S ATOM 0 H CYS A 32 2.719 7.083 6.430 1.00 0.00 H new ATOM 0 HA CYS A 32 3.371 7.157 9.114 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.864 4.748 9.732 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.494 5.841 9.738 1.00 0.00 H new ATOM 448 N PHE A 33 5.151 6.574 7.174 1.00 0.00 N ATOM 449 CA PHE A 33 6.368 6.071 6.551 1.00 0.00 C ATOM 450 C PHE A 33 7.413 7.174 6.423 1.00 0.00 C ATOM 451 O PHE A 33 7.848 7.509 5.320 1.00 0.00 O ATOM 452 CB PHE A 33 6.038 5.484 5.178 1.00 0.00 C ATOM 453 CG PHE A 33 4.572 5.195 4.994 1.00 0.00 C ATOM 454 CD1 PHE A 33 4.028 3.992 5.418 1.00 0.00 C ATOM 455 CD2 PHE A 33 3.737 6.129 4.400 1.00 0.00 C ATOM 456 CE1 PHE A 33 2.682 3.727 5.251 1.00 0.00 C ATOM 457 CE2 PHE A 33 2.390 5.868 4.232 1.00 0.00 C ATOM 458 CZ PHE A 33 1.862 4.666 4.657 1.00 0.00 C ATOM 0 H PHE A 33 5.021 7.583 7.097 1.00 0.00 H new ATOM 0 HA PHE A 33 6.786 5.288 7.184 1.00 0.00 H new ATOM 0 HB2 PHE A 33 6.365 6.179 4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.604 4.563 5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.664 3.254 5.884 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.144 7.072 4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.271 2.786 5.585 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.751 6.605 3.768 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.810 4.460 4.525 1.00 0.00 H new ATOM 468 N SER A 34 7.813 7.731 7.562 1.00 0.00 N ATOM 469 CA SER A 34 8.809 8.796 7.589 1.00 0.00 C ATOM 470 C SER A 34 8.694 9.681 6.351 1.00 0.00 C ATOM 471 O SER A 34 7.819 10.542 6.272 1.00 0.00 O ATOM 472 CB SER A 34 10.215 8.201 7.684 1.00 0.00 C ATOM 473 OG SER A 34 10.586 7.978 9.033 1.00 0.00 O ATOM 0 H SER A 34 7.461 7.461 8.481 1.00 0.00 H new ATOM 0 HA SER A 34 8.625 9.414 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.253 7.261 7.133 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.931 8.875 7.214 1.00 0.00 H new ATOM 0 HG SER A 34 11.488 7.596 9.065 1.00 0.00 H new ATOM 479 N ARG A 35 9.581 9.460 5.386 1.00 0.00 N ATOM 480 CA ARG A 35 9.578 10.234 4.151 1.00 0.00 C ATOM 481 C ARG A 35 10.784 9.874 3.288 1.00 0.00 C ATOM 482 O ARG A 35 11.527 10.749 2.845 1.00 0.00 O ATOM 483 CB ARG A 35 9.582 11.732 4.460 1.00 0.00 C ATOM 484 CG ARG A 35 10.650 12.147 5.458 1.00 0.00 C ATOM 485 CD ARG A 35 11.018 13.613 5.299 1.00 0.00 C ATOM 486 NE ARG A 35 12.334 13.784 4.692 1.00 0.00 N ATOM 487 CZ ARG A 35 13.476 13.601 5.346 1.00 0.00 C ATOM 488 NH1 ARG A 35 13.461 13.238 6.622 1.00 0.00 N ATOM 489 NH2 ARG A 35 14.633 13.782 4.725 1.00 0.00 N ATOM 0 H ARG A 35 10.312 8.750 5.436 1.00 0.00 H new ATOM 0 HA ARG A 35 8.670 9.991 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.730 12.285 3.532 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.604 12.016 4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.292 11.968 6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.538 11.530 5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.268 14.110 4.684 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.003 14.098 6.275 1.00 0.00 H new ATOM 0 HE ARG A 35 12.380 14.059 3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.572 13.099 7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.339 13.098 7.123 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.647 14.062 3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.509 13.641 5.228 1.00 0.00 H new ATOM 503 N ALA A 36 10.972 8.577 3.060 1.00 0.00 N ATOM 504 CA ALA A 36 12.088 8.091 2.256 1.00 0.00 C ATOM 505 C ALA A 36 11.640 7.758 0.837 1.00 0.00 C ATOM 506 O ALA A 36 10.559 8.160 0.410 1.00 0.00 O ATOM 507 CB ALA A 36 12.715 6.872 2.916 1.00 0.00 C ATOM 0 H ALA A 36 10.364 7.842 3.422 1.00 0.00 H new ATOM 0 HA ALA A 36 12.834 8.883 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 36 13.547 6.517 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.079 7.142 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.969 6.083 3.006 1.00 0.00 H new ATOM 513 N TYR A 37 12.477 7.022 0.109 1.00 0.00 N ATOM 514 CA TYR A 37 12.158 6.639 -1.262 1.00 0.00 C ATOM 515 C TYR A 37 13.390 6.103 -1.985 1.00 0.00 C ATOM 516 O TYR A 37 14.160 6.863 -2.572 1.00 0.00 O ATOM 517 CB TYR A 37 11.584 7.834 -2.027 1.00 0.00 C ATOM 518 CG TYR A 37 10.097 7.733 -2.278 1.00 0.00 C ATOM 519 CD1 TYR A 37 9.283 6.971 -1.449 1.00 0.00 C ATOM 520 CD2 TYR A 37 9.506 8.398 -3.345 1.00 0.00 C ATOM 521 CE1 TYR A 37 7.923 6.876 -1.674 1.00 0.00 C ATOM 522 CE2 TYR A 37 8.147 8.308 -3.578 1.00 0.00 C ATOM 523 CZ TYR A 37 7.360 7.545 -2.740 1.00 0.00 C ATOM 524 OH TYR A 37 6.006 7.453 -2.968 1.00 0.00 O ATOM 0 H TYR A 37 13.378 6.681 0.445 1.00 0.00 H new ATOM 0 HA TYR A 37 11.412 5.846 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.788 8.746 -1.466 1.00 0.00 H new ATOM 0 HB3 TYR A 37 12.100 7.925 -2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.721 6.444 -0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.119 8.995 -4.003 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.304 6.281 -1.018 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.703 8.832 -4.412 1.00 0.00 H new ATOM 0 HH TYR A 37 5.770 7.984 -3.757 1.00 0.00 H new ATOM 534 N PRO A 38 13.585 4.776 -1.955 1.00 0.00 N ATOM 535 CA PRO A 38 14.723 4.124 -2.612 1.00 0.00 C ATOM 536 C PRO A 38 14.660 4.252 -4.130 1.00 0.00 C ATOM 537 O PRO A 38 13.823 4.979 -4.666 1.00 0.00 O ATOM 538 CB PRO A 38 14.584 2.656 -2.197 1.00 0.00 C ATOM 539 CG PRO A 38 13.143 2.491 -1.857 1.00 0.00 C ATOM 540 CD PRO A 38 12.705 3.807 -1.281 1.00 0.00 C ATOM 0 HA PRO A 38 15.673 4.574 -2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.879 1.987 -3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.221 2.424 -1.343 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.559 2.238 -2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.001 1.683 -1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.653 4.007 -1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.829 3.835 -0.198 1.00 0.00 H new ATOM 548 N THR A 39 15.546 3.540 -4.819 1.00 0.00 N ATOM 549 CA THR A 39 15.583 3.572 -6.277 1.00 0.00 C ATOM 550 C THR A 39 15.189 2.217 -6.856 1.00 0.00 C ATOM 551 O THR A 39 15.801 1.196 -6.543 1.00 0.00 O ATOM 552 CB THR A 39 16.978 3.961 -6.770 1.00 0.00 C ATOM 553 OG1 THR A 39 17.169 5.362 -6.681 1.00 0.00 O ATOM 554 CG2 THR A 39 17.240 3.554 -8.204 1.00 0.00 C ATOM 0 H THR A 39 16.247 2.935 -4.392 1.00 0.00 H new ATOM 0 HA THR A 39 14.867 4.320 -6.616 1.00 0.00 H new ATOM 0 HB THR A 39 17.673 3.425 -6.123 1.00 0.00 H new ATOM 0 HG1 THR A 39 18.067 5.591 -6.999 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.246 3.859 -8.491 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.149 2.472 -8.298 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.514 4.037 -8.858 1.00 0.00 H new ATOM 562 N PRO A 40 14.160 2.191 -7.716 1.00 0.00 N ATOM 563 CA PRO A 40 13.682 0.968 -8.344 1.00 0.00 C ATOM 564 C PRO A 40 14.458 0.635 -9.612 1.00 0.00 C ATOM 565 O PRO A 40 15.208 -0.340 -9.657 1.00 0.00 O ATOM 566 CB PRO A 40 12.218 1.281 -8.680 1.00 0.00 C ATOM 567 CG PRO A 40 12.031 2.755 -8.463 1.00 0.00 C ATOM 568 CD PRO A 40 13.381 3.348 -8.150 1.00 0.00 C ATOM 0 HA PRO A 40 13.804 0.102 -7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.991 1.010 -9.711 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.544 0.708 -8.044 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.605 3.221 -9.352 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.335 2.936 -7.644 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.823 3.827 -9.024 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.317 4.106 -7.370 1.00 0.00 H new ATOM 576 N LEU A 41 14.273 1.454 -10.642 1.00 0.00 N ATOM 577 CA LEU A 41 14.955 1.249 -11.914 1.00 0.00 C ATOM 578 C LEU A 41 15.109 -0.239 -12.214 1.00 0.00 C ATOM 579 O LEU A 41 16.065 -0.876 -11.772 1.00 0.00 O ATOM 580 CB LEU A 41 16.329 1.921 -11.896 1.00 0.00 C ATOM 581 CG LEU A 41 16.842 2.388 -13.260 1.00 0.00 C ATOM 582 CD1 LEU A 41 17.483 3.762 -13.144 1.00 0.00 C ATOM 583 CD2 LEU A 41 17.831 1.381 -13.829 1.00 0.00 C ATOM 0 H LEU A 41 13.656 2.266 -10.620 1.00 0.00 H new ATOM 0 HA LEU A 41 14.348 1.700 -12.699 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.287 2.781 -11.227 1.00 0.00 H new ATOM 0 HB3 LEU A 41 17.052 1.223 -11.473 1.00 0.00 H new ATOM 0 HG LEU A 41 15.995 2.461 -13.943 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.843 4.080 -14.123 1.00 0.00 H new ATOM 0 HD12 LEU A 41 16.746 4.477 -12.778 1.00 0.00 H new ATOM 0 HD13 LEU A 41 18.320 3.715 -12.448 1.00 0.00 H new ATOM 0 HD21 LEU A 41 18.186 1.728 -14.799 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.676 1.277 -13.149 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.340 0.415 -13.947 1.00 0.00 H new ATOM 595 N ARG A 42 14.160 -0.785 -12.966 1.00 0.00 N ATOM 596 CA ARG A 42 14.187 -2.197 -13.326 1.00 0.00 C ATOM 597 C ARG A 42 15.588 -2.624 -13.748 1.00 0.00 C ATOM 598 O ARG A 42 15.936 -2.568 -14.927 1.00 0.00 O ATOM 599 CB ARG A 42 13.194 -2.479 -14.453 1.00 0.00 C ATOM 600 CG ARG A 42 12.428 -3.779 -14.275 1.00 0.00 C ATOM 601 CD ARG A 42 12.654 -4.722 -15.446 1.00 0.00 C ATOM 602 NE ARG A 42 14.063 -4.800 -15.820 1.00 0.00 N ATOM 603 CZ ARG A 42 14.556 -5.717 -16.645 1.00 0.00 C ATOM 604 NH1 ARG A 42 13.760 -6.641 -17.164 1.00 0.00 N ATOM 605 NH2 ARG A 42 15.848 -5.717 -16.944 1.00 0.00 N ATOM 0 H ARG A 42 13.362 -0.270 -13.338 1.00 0.00 H new ATOM 0 HA ARG A 42 13.900 -2.774 -12.447 1.00 0.00 H new ATOM 0 HB2 ARG A 42 12.484 -1.654 -14.516 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.732 -2.510 -15.401 1.00 0.00 H new ATOM 0 HG2 ARG A 42 12.741 -4.264 -13.350 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.364 -3.565 -14.178 1.00 0.00 H new ATOM 0 HD2 ARG A 42 12.292 -5.717 -15.186 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.070 -4.384 -16.302 1.00 0.00 H new ATOM 0 HE ARG A 42 14.705 -4.112 -15.426 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.767 -6.649 -16.930 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.140 -7.344 -17.797 1.00 0.00 H new ATOM 0 HH21 ARG A 42 16.465 -5.012 -16.540 1.00 0.00 H new ATOM 0 HH22 ARG A 42 16.225 -6.422 -17.578 1.00 0.00 H new ATOM 619 N SER A 43 16.387 -3.051 -12.777 1.00 0.00 N ATOM 620 CA SER A 43 17.751 -3.489 -13.045 1.00 0.00 C ATOM 621 C SER A 43 17.827 -5.010 -13.106 1.00 0.00 C ATOM 622 O SER A 43 18.065 -5.589 -14.165 1.00 0.00 O ATOM 623 CB SER A 43 18.697 -2.961 -11.965 1.00 0.00 C ATOM 624 OG SER A 43 18.650 -1.547 -11.889 1.00 0.00 O ATOM 0 H SER A 43 16.113 -3.103 -11.796 1.00 0.00 H new ATOM 0 HA SER A 43 18.055 -3.088 -14.012 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.426 -3.389 -11.000 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.716 -3.282 -12.181 1.00 0.00 H new ATOM 0 HG SER A 43 17.787 -1.268 -11.517 1.00 0.00 H new ATOM 630 N LYS A 44 17.623 -5.650 -11.960 1.00 0.00 N ATOM 631 CA LYS A 44 17.668 -7.105 -11.880 1.00 0.00 C ATOM 632 C LYS A 44 17.520 -7.576 -10.436 1.00 0.00 C ATOM 633 O LYS A 44 18.110 -8.580 -10.038 1.00 0.00 O ATOM 634 CB LYS A 44 18.980 -7.628 -12.468 1.00 0.00 C ATOM 635 CG LYS A 44 18.794 -8.760 -13.466 1.00 0.00 C ATOM 636 CD LYS A 44 19.359 -10.067 -12.933 1.00 0.00 C ATOM 637 CE LYS A 44 20.221 -10.766 -13.972 1.00 0.00 C ATOM 638 NZ LYS A 44 21.306 -9.882 -14.482 1.00 0.00 N ATOM 0 H LYS A 44 17.425 -5.184 -11.074 1.00 0.00 H new ATOM 0 HA LYS A 44 16.834 -7.502 -12.459 1.00 0.00 H new ATOM 0 HB2 LYS A 44 19.502 -6.806 -12.958 1.00 0.00 H new ATOM 0 HB3 LYS A 44 19.620 -7.973 -11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.733 -8.883 -13.686 1.00 0.00 H new ATOM 0 HG3 LYS A 44 19.286 -8.505 -14.404 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.952 -9.871 -12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.541 -10.724 -12.636 1.00 0.00 H new ATOM 0 HE2 LYS A 44 20.659 -11.663 -13.535 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.596 -11.089 -14.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 22.150 -10.453 -14.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 20.987 -9.406 -15.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 21.540 -9.169 -13.762 1.00 0.00 H new ATOM 652 N LYS A 45 16.730 -6.846 -9.656 1.00 0.00 N ATOM 653 CA LYS A 45 16.509 -7.193 -8.256 1.00 0.00 C ATOM 654 C LYS A 45 15.052 -6.980 -7.861 1.00 0.00 C ATOM 655 O LYS A 45 14.700 -5.954 -7.281 1.00 0.00 O ATOM 656 CB LYS A 45 17.418 -6.358 -7.353 1.00 0.00 C ATOM 657 CG LYS A 45 18.057 -5.174 -8.062 1.00 0.00 C ATOM 658 CD LYS A 45 19.452 -5.513 -8.558 1.00 0.00 C ATOM 659 CE LYS A 45 20.522 -4.987 -7.614 1.00 0.00 C ATOM 660 NZ LYS A 45 20.305 -5.446 -6.214 1.00 0.00 N ATOM 0 H LYS A 45 16.233 -6.012 -9.968 1.00 0.00 H new ATOM 0 HA LYS A 45 16.749 -8.249 -8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.838 -5.994 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 45 18.204 -6.998 -6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.433 -4.872 -8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 45 18.108 -4.324 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 45 19.552 -6.594 -8.656 1.00 0.00 H new ATOM 0 HD3 LYS A 45 19.600 -5.088 -9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.502 -5.318 -7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 45 20.526 -3.897 -7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 21.139 -5.211 -5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.467 -4.973 -5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.158 -6.475 -6.205 1.00 0.00 H new ATOM 674 N THR A 46 14.212 -7.959 -8.172 1.00 0.00 N ATOM 675 CA THR A 46 12.795 -7.880 -7.842 1.00 0.00 C ATOM 676 C THR A 46 12.362 -9.099 -7.036 1.00 0.00 C ATOM 677 O THR A 46 11.174 -9.402 -6.937 1.00 0.00 O ATOM 678 CB THR A 46 11.955 -7.769 -9.115 1.00 0.00 C ATOM 679 OG1 THR A 46 12.041 -8.960 -9.876 1.00 0.00 O ATOM 680 CG2 THR A 46 12.368 -6.620 -10.009 1.00 0.00 C ATOM 0 H THR A 46 14.487 -8.816 -8.652 1.00 0.00 H new ATOM 0 HA THR A 46 12.636 -6.988 -7.237 1.00 0.00 H new ATOM 0 HB THR A 46 10.935 -7.591 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.496 -8.871 -10.686 1.00 0.00 H new ATOM 0 HG21 THR A 46 11.731 -6.600 -10.893 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.264 -5.681 -9.466 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.407 -6.751 -10.313 1.00 0.00 H new ATOM 688 N MET A 47 13.337 -9.796 -6.463 1.00 0.00 N ATOM 689 CA MET A 47 13.058 -10.985 -5.668 1.00 0.00 C ATOM 690 C MET A 47 14.352 -11.677 -5.254 1.00 0.00 C ATOM 691 O MET A 47 14.512 -12.882 -5.447 1.00 0.00 O ATOM 692 CB MET A 47 12.181 -11.955 -6.460 1.00 0.00 C ATOM 693 CG MET A 47 10.916 -12.370 -5.729 1.00 0.00 C ATOM 694 SD MET A 47 10.485 -14.097 -6.012 1.00 0.00 S ATOM 695 CE MET A 47 11.903 -14.920 -5.292 1.00 0.00 C ATOM 0 H MET A 47 14.326 -9.558 -6.534 1.00 0.00 H new ATOM 0 HA MET A 47 12.528 -10.675 -4.768 1.00 0.00 H new ATOM 0 HB2 MET A 47 11.907 -11.492 -7.408 1.00 0.00 H new ATOM 0 HB3 MET A 47 12.762 -12.846 -6.697 1.00 0.00 H new ATOM 0 HG2 MET A 47 11.047 -12.203 -4.660 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.090 -11.736 -6.052 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.600 -15.892 -4.902 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.670 -15.058 -6.054 1.00 0.00 H new ATOM 0 HE3 MET A 47 12.303 -14.312 -4.481 1.00 0.00 H new ATOM 705 N LEU A 48 15.274 -10.907 -4.687 1.00 0.00 N ATOM 706 CA LEU A 48 16.554 -11.450 -4.250 1.00 0.00 C ATOM 707 C LEU A 48 17.389 -10.387 -3.543 1.00 0.00 C ATOM 708 O LEU A 48 18.298 -9.804 -4.134 1.00 0.00 O ATOM 709 CB LEU A 48 17.325 -12.006 -5.448 1.00 0.00 C ATOM 710 CG LEU A 48 18.006 -13.355 -5.210 1.00 0.00 C ATOM 711 CD1 LEU A 48 17.004 -14.374 -4.693 1.00 0.00 C ATOM 712 CD2 LEU A 48 18.664 -13.855 -6.487 1.00 0.00 C ATOM 0 H LEU A 48 15.159 -9.907 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 48 16.356 -12.255 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.638 -12.106 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 48 18.083 -11.280 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 48 18.781 -13.220 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.506 -15.327 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.579 -14.022 -3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.207 -14.505 -5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.143 -14.816 -6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.908 -13.973 -7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 48 19.413 -13.135 -6.816 1.00 0.00 H new ATOM 724 N VAL A 49 17.076 -10.140 -2.276 1.00 0.00 N ATOM 725 CA VAL A 49 17.801 -9.148 -1.491 1.00 0.00 C ATOM 726 C VAL A 49 19.302 -9.253 -1.729 1.00 0.00 C ATOM 727 O VAL A 49 19.780 -10.217 -2.327 1.00 0.00 O ATOM 728 CB VAL A 49 17.520 -9.303 0.015 1.00 0.00 C ATOM 729 CG1 VAL A 49 16.249 -8.562 0.400 1.00 0.00 C ATOM 730 CG2 VAL A 49 17.425 -10.773 0.392 1.00 0.00 C ATOM 0 H VAL A 49 16.326 -10.612 -1.771 1.00 0.00 H new ATOM 0 HA VAL A 49 17.449 -8.169 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 49 18.350 -8.864 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 49 16.067 -8.683 1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 49 16.361 -7.503 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 49 15.407 -8.969 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 49 17.226 -10.863 1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 49 16.616 -11.241 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.365 -11.271 0.155 1.00 0.00 H new ATOM 740 N GLN A 50 20.040 -8.254 -1.260 1.00 0.00 N ATOM 741 CA GLN A 50 21.488 -8.233 -1.426 1.00 0.00 C ATOM 742 C GLN A 50 22.164 -7.492 -0.277 1.00 0.00 C ATOM 743 O GLN A 50 22.476 -6.306 -0.389 1.00 0.00 O ATOM 744 CB GLN A 50 21.852 -7.570 -2.756 1.00 0.00 C ATOM 745 CG GLN A 50 23.346 -7.532 -3.029 1.00 0.00 C ATOM 746 CD GLN A 50 23.666 -7.506 -4.511 1.00 0.00 C ATOM 747 OE1 GLN A 50 24.386 -6.628 -4.987 1.00 0.00 O ATOM 748 NE2 GLN A 50 23.129 -8.471 -5.250 1.00 0.00 N ATOM 0 H GLN A 50 19.660 -7.449 -0.762 1.00 0.00 H new ATOM 0 HA GLN A 50 21.844 -9.263 -1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 50 21.357 -8.105 -3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 50 21.464 -6.551 -2.763 1.00 0.00 H new ATOM 0 HG2 GLN A 50 23.777 -6.651 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 50 23.817 -8.403 -2.574 1.00 0.00 H new ATOM 0 HE21 GLN A 50 22.538 -9.179 -4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 50 23.308 -8.504 -6.254 1.00 0.00 H new ATOM 757 N LYS A 51 22.394 -8.197 0.825 1.00 0.00 N ATOM 758 CA LYS A 51 23.042 -7.600 1.987 1.00 0.00 C ATOM 759 C LYS A 51 22.112 -6.617 2.690 1.00 0.00 C ATOM 760 O LYS A 51 20.989 -6.379 2.244 1.00 0.00 O ATOM 761 CB LYS A 51 24.329 -6.891 1.562 1.00 0.00 C ATOM 762 CG LYS A 51 25.539 -7.255 2.406 1.00 0.00 C ATOM 763 CD LYS A 51 25.618 -8.753 2.659 1.00 0.00 C ATOM 764 CE LYS A 51 25.841 -9.057 4.133 1.00 0.00 C ATOM 765 NZ LYS A 51 24.605 -8.850 4.937 1.00 0.00 N ATOM 0 H LYS A 51 22.142 -9.179 0.938 1.00 0.00 H new ATOM 0 HA LYS A 51 23.285 -8.398 2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.539 -7.133 0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.173 -5.813 1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 51 26.447 -6.922 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.491 -6.727 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.697 -9.229 2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 51 26.430 -9.180 2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 51 26.178 -10.088 4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 51 26.636 -8.419 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.770 -9.164 5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 24.355 -7.841 4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.826 -9.401 4.524 1.00 0.00 H new ATOM 779 N ASN A 52 22.588 -6.051 3.795 1.00 0.00 N ATOM 780 CA ASN A 52 21.802 -5.096 4.566 1.00 0.00 C ATOM 781 C ASN A 52 21.130 -4.075 3.656 1.00 0.00 C ATOM 782 O ASN A 52 21.361 -4.058 2.446 1.00 0.00 O ATOM 783 CB ASN A 52 22.687 -4.384 5.588 1.00 0.00 C ATOM 784 CG ASN A 52 22.899 -5.217 6.835 1.00 0.00 C ATOM 785 OD1 ASN A 52 22.361 -6.318 6.951 1.00 0.00 O ATOM 786 ND2 ASN A 52 23.683 -4.693 7.771 1.00 0.00 N ATOM 0 H ASN A 52 23.515 -6.238 4.176 1.00 0.00 H new ATOM 0 HA ASN A 52 21.023 -5.649 5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 52 23.652 -4.157 5.136 1.00 0.00 H new ATOM 0 HB3 ASN A 52 22.231 -3.432 5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 52 24.106 -3.776 7.627 1.00 0.00 H new ATOM 791 N VAL A 53 20.293 -3.228 4.245 1.00 0.00 N ATOM 792 CA VAL A 53 19.582 -2.208 3.487 1.00 0.00 C ATOM 793 C VAL A 53 18.469 -2.834 2.652 1.00 0.00 C ATOM 794 O VAL A 53 18.436 -4.049 2.455 1.00 0.00 O ATOM 795 CB VAL A 53 20.543 -1.423 2.566 1.00 0.00 C ATOM 796 CG1 VAL A 53 19.998 -1.333 1.148 1.00 0.00 C ATOM 797 CG2 VAL A 53 20.804 -0.035 3.129 1.00 0.00 C ATOM 0 H VAL A 53 20.091 -3.228 5.245 1.00 0.00 H new ATOM 0 HA VAL A 53 19.144 -1.514 4.204 1.00 0.00 H new ATOM 0 HB VAL A 53 21.488 -1.965 2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 53 20.697 -0.775 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 53 19.872 -2.337 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 53 19.035 -0.823 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.483 0.504 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 53 19.863 0.510 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 53 21.254 -0.122 4.118 1.00 0.00 H new ATOM 807 N THR A 54 17.561 -1.997 2.163 1.00 0.00 N ATOM 808 CA THR A 54 16.448 -2.470 1.348 1.00 0.00 C ATOM 809 C THR A 54 15.753 -3.655 2.009 1.00 0.00 C ATOM 810 O THR A 54 15.166 -4.499 1.331 1.00 0.00 O ATOM 811 CB THR A 54 16.940 -2.870 -0.044 1.00 0.00 C ATOM 812 OG1 THR A 54 17.702 -1.827 -0.628 1.00 0.00 O ATOM 813 CG2 THR A 54 15.816 -3.209 -0.999 1.00 0.00 C ATOM 0 H THR A 54 17.573 -0.989 2.316 1.00 0.00 H new ATOM 0 HA THR A 54 15.730 -1.655 1.254 1.00 0.00 H new ATOM 0 HB THR A 54 17.548 -3.762 0.109 1.00 0.00 H new ATOM 0 HG1 THR A 54 18.008 -2.104 -1.517 1.00 0.00 H new ATOM 0 HG21 THR A 54 16.232 -3.484 -1.968 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.240 -4.044 -0.601 1.00 0.00 H new ATOM 0 HG23 THR A 54 15.165 -2.343 -1.117 1.00 0.00 H new ATOM 821 N SER A 55 15.821 -3.715 3.335 1.00 0.00 N ATOM 822 CA SER A 55 15.196 -4.801 4.082 1.00 0.00 C ATOM 823 C SER A 55 13.701 -4.548 4.262 1.00 0.00 C ATOM 824 O SER A 55 12.891 -4.938 3.422 1.00 0.00 O ATOM 825 CB SER A 55 15.866 -4.966 5.447 1.00 0.00 C ATOM 826 OG SER A 55 15.095 -5.800 6.296 1.00 0.00 O ATOM 0 H SER A 55 16.302 -3.026 3.914 1.00 0.00 H new ATOM 0 HA SER A 55 15.325 -5.720 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.861 -5.393 5.318 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.996 -3.989 5.912 1.00 0.00 H new ATOM 0 HG SER A 55 15.545 -5.891 7.162 1.00 0.00 H new ATOM 832 N GLU A 56 13.343 -3.893 5.362 1.00 0.00 N ATOM 833 CA GLU A 56 11.945 -3.592 5.649 1.00 0.00 C ATOM 834 C GLU A 56 11.708 -2.086 5.703 1.00 0.00 C ATOM 835 O GLU A 56 12.642 -1.294 5.581 1.00 0.00 O ATOM 836 CB GLU A 56 11.527 -4.227 6.975 1.00 0.00 C ATOM 837 CG GLU A 56 11.183 -5.702 6.862 1.00 0.00 C ATOM 838 CD GLU A 56 11.035 -6.370 8.215 1.00 0.00 C ATOM 839 OE1 GLU A 56 11.230 -5.683 9.240 1.00 0.00 O ATOM 840 OE2 GLU A 56 10.725 -7.579 8.249 1.00 0.00 O ATOM 0 H GLU A 56 14.000 -3.561 6.068 1.00 0.00 H new ATOM 0 HA GLU A 56 11.341 -4.009 4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.335 -4.105 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.664 -3.690 7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.254 -5.813 6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.961 -6.210 6.293 1.00 0.00 H new ATOM 847 N SER A 57 10.450 -1.700 5.889 1.00 0.00 N ATOM 848 CA SER A 57 10.082 -0.291 5.963 1.00 0.00 C ATOM 849 C SER A 57 8.568 -0.125 5.896 1.00 0.00 C ATOM 850 O SER A 57 8.033 0.376 4.908 1.00 0.00 O ATOM 851 CB SER A 57 10.741 0.493 4.827 1.00 0.00 C ATOM 852 OG SER A 57 9.966 1.624 4.471 1.00 0.00 O ATOM 0 H SER A 57 9.667 -2.345 5.991 1.00 0.00 H new ATOM 0 HA SER A 57 10.435 0.102 6.917 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.737 0.813 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.866 -0.154 3.959 1.00 0.00 H new ATOM 0 HG SER A 57 9.146 1.330 4.021 1.00 0.00 H new ATOM 858 N THR A 58 7.883 -0.555 6.950 1.00 0.00 N ATOM 859 CA THR A 58 6.430 -0.458 7.006 1.00 0.00 C ATOM 860 C THR A 58 5.799 -1.117 5.788 1.00 0.00 C ATOM 861 O THR A 58 6.500 -1.581 4.888 1.00 0.00 O ATOM 862 CB THR A 58 5.992 1.005 7.091 1.00 0.00 C ATOM 863 OG1 THR A 58 6.562 1.763 6.040 1.00 0.00 O ATOM 864 CG2 THR A 58 6.376 1.665 8.396 1.00 0.00 C ATOM 0 H THR A 58 8.311 -0.974 7.776 1.00 0.00 H new ATOM 0 HA THR A 58 6.092 -0.980 7.901 1.00 0.00 H new ATOM 0 HB THR A 58 4.905 0.987 7.016 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.741 1.178 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.037 2.701 8.393 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.909 1.132 9.224 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.459 1.638 8.512 1.00 0.00 H new ATOM 872 N CYS A 59 4.472 -1.149 5.761 1.00 0.00 N ATOM 873 CA CYS A 59 3.747 -1.747 4.647 1.00 0.00 C ATOM 874 C CYS A 59 2.252 -1.803 4.915 1.00 0.00 C ATOM 875 O CYS A 59 1.802 -2.435 5.869 1.00 0.00 O ATOM 876 CB CYS A 59 4.273 -3.155 4.352 1.00 0.00 C ATOM 877 SG CYS A 59 3.526 -4.460 5.380 1.00 0.00 S ATOM 0 H CYS A 59 3.877 -0.768 6.497 1.00 0.00 H new ATOM 0 HA CYS A 59 3.913 -1.112 3.777 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.092 -3.386 3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.353 -3.166 4.499 1.00 0.00 H new ATOM 882 N CYS A 60 1.485 -1.140 4.056 1.00 0.00 N ATOM 883 CA CYS A 60 0.036 -1.112 4.184 1.00 0.00 C ATOM 884 C CYS A 60 -0.625 -1.831 3.014 1.00 0.00 C ATOM 885 O CYS A 60 -1.467 -1.262 2.318 1.00 0.00 O ATOM 886 CB CYS A 60 -0.458 0.332 4.249 1.00 0.00 C ATOM 887 SG CYS A 60 0.036 1.338 2.814 1.00 0.00 S ATOM 0 H CYS A 60 1.847 -0.613 3.261 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.235 -1.627 5.106 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.545 0.332 4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.075 0.797 5.157 1.00 0.00 H new ATOM 892 N VAL A 61 -0.242 -3.083 2.801 1.00 0.00 N ATOM 893 CA VAL A 61 -0.802 -3.876 1.714 1.00 0.00 C ATOM 894 C VAL A 61 -2.212 -4.343 2.054 1.00 0.00 C ATOM 895 O VAL A 61 -2.513 -5.533 1.986 1.00 0.00 O ATOM 896 CB VAL A 61 0.076 -5.103 1.398 1.00 0.00 C ATOM 897 CG1 VAL A 61 -0.180 -5.595 -0.018 1.00 0.00 C ATOM 898 CG2 VAL A 61 1.549 -4.773 1.595 1.00 0.00 C ATOM 0 H VAL A 61 0.453 -3.571 3.366 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.835 -3.233 0.834 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.190 -5.902 2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.449 -6.461 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.228 -5.875 -0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.055 -4.801 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.152 -5.652 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.831 -3.957 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.720 -4.474 2.629 1.00 0.00 H new ATOM 908 N ALA A 62 -3.072 -3.393 2.419 1.00 0.00 N ATOM 909 CA ALA A 62 -4.457 -3.699 2.772 1.00 0.00 C ATOM 910 C ALA A 62 -4.549 -5.008 3.547 1.00 0.00 C ATOM 911 O ALA A 62 -4.363 -6.089 2.989 1.00 0.00 O ATOM 912 CB ALA A 62 -5.315 -3.758 1.519 1.00 0.00 C ATOM 0 H ALA A 62 -2.833 -2.403 2.478 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.830 -2.903 3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.345 -3.987 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.281 -2.795 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.936 -4.534 0.855 1.00 0.00 H new ATOM 918 N LYS A 63 -4.862 -4.909 4.833 1.00 0.00 N ATOM 919 CA LYS A 63 -4.998 -6.089 5.668 1.00 0.00 C ATOM 920 C LYS A 63 -5.997 -7.031 5.034 1.00 0.00 C ATOM 921 O LYS A 63 -5.818 -8.249 5.026 1.00 0.00 O ATOM 922 CB LYS A 63 -5.464 -5.705 7.069 1.00 0.00 C ATOM 923 CG LYS A 63 -5.188 -6.780 8.102 1.00 0.00 C ATOM 924 CD LYS A 63 -5.823 -6.447 9.441 1.00 0.00 C ATOM 925 CE LYS A 63 -4.789 -6.431 10.554 1.00 0.00 C ATOM 926 NZ LYS A 63 -5.080 -7.456 11.593 1.00 0.00 N ATOM 0 H LYS A 63 -5.025 -4.026 5.316 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.028 -6.580 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.967 -4.783 7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.534 -5.498 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.572 -7.736 7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.112 -6.896 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.312 -5.475 9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.597 -7.179 9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.799 -6.610 10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.766 -5.443 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.353 -7.414 12.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.014 -7.270 12.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.077 -8.401 11.159 1.00 0.00 H new ATOM 940 N SER A 64 -7.043 -6.441 4.483 1.00 0.00 N ATOM 941 CA SER A 64 -8.082 -7.197 3.812 1.00 0.00 C ATOM 942 C SER A 64 -8.556 -6.442 2.584 1.00 0.00 C ATOM 943 O SER A 64 -9.294 -5.465 2.686 1.00 0.00 O ATOM 944 CB SER A 64 -9.255 -7.469 4.747 1.00 0.00 C ATOM 945 OG SER A 64 -8.813 -8.001 5.983 1.00 0.00 O ATOM 0 H SER A 64 -7.194 -5.432 4.488 1.00 0.00 H new ATOM 0 HA SER A 64 -7.665 -8.157 3.507 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.806 -6.545 4.922 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.946 -8.167 4.274 1.00 0.00 H new ATOM 0 HG SER A 64 -9.585 -8.164 6.564 1.00 0.00 H new ATOM 951 N TYR A 65 -8.109 -6.896 1.429 1.00 0.00 N ATOM 952 CA TYR A 65 -8.459 -6.265 0.167 1.00 0.00 C ATOM 953 C TYR A 65 -9.704 -6.875 -0.439 1.00 0.00 C ATOM 954 O TYR A 65 -10.086 -8.000 -0.116 1.00 0.00 O ATOM 955 CB TYR A 65 -7.312 -6.418 -0.829 1.00 0.00 C ATOM 956 CG TYR A 65 -6.634 -7.765 -0.765 1.00 0.00 C ATOM 957 CD1 TYR A 65 -7.360 -8.936 -0.931 1.00 0.00 C ATOM 958 CD2 TYR A 65 -5.268 -7.866 -0.538 1.00 0.00 C ATOM 959 CE1 TYR A 65 -6.744 -10.171 -0.873 1.00 0.00 C ATOM 960 CE2 TYR A 65 -4.644 -9.097 -0.479 1.00 0.00 C ATOM 961 CZ TYR A 65 -5.386 -10.246 -0.647 1.00 0.00 C ATOM 962 OH TYR A 65 -4.770 -11.473 -0.588 1.00 0.00 O ATOM 0 H TYR A 65 -7.497 -7.707 1.337 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.649 -5.212 0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.694 -6.260 -1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.573 -5.639 -0.642 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.424 -8.881 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.684 -6.967 -0.405 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.323 -11.073 -1.004 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.580 -9.159 -0.302 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.812 -11.350 -0.423 1.00 0.00 H new ATOM 972 N ASN A 66 -10.299 -6.143 -1.366 1.00 0.00 N ATOM 973 CA ASN A 66 -11.467 -6.633 -2.078 1.00 0.00 C ATOM 974 C ASN A 66 -11.229 -6.407 -3.545 1.00 0.00 C ATOM 975 O ASN A 66 -12.144 -6.207 -4.344 1.00 0.00 O ATOM 976 CB ASN A 66 -12.743 -5.944 -1.619 1.00 0.00 C ATOM 977 CG ASN A 66 -13.842 -6.934 -1.283 1.00 0.00 C ATOM 978 OD1 ASN A 66 -14.182 -7.133 -0.117 1.00 0.00 O ATOM 979 ND2 ASN A 66 -14.402 -7.563 -2.311 1.00 0.00 N ATOM 0 H ASN A 66 -9.994 -5.210 -1.642 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.606 -7.694 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.528 -5.332 -0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.091 -5.270 -2.401 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -15.146 -8.242 -2.150 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -14.088 -7.366 -3.261 1.00 0.00 H new ATOM 986 N ARG A 67 -9.952 -6.437 -3.847 1.00 0.00 N ATOM 987 CA ARG A 67 -9.430 -6.237 -5.184 1.00 0.00 C ATOM 988 C ARG A 67 -10.532 -6.214 -6.229 1.00 0.00 C ATOM 989 O ARG A 67 -11.358 -7.123 -6.311 1.00 0.00 O ATOM 990 CB ARG A 67 -8.419 -7.327 -5.506 1.00 0.00 C ATOM 991 CG ARG A 67 -7.172 -6.818 -6.205 1.00 0.00 C ATOM 992 CD ARG A 67 -7.164 -7.208 -7.675 1.00 0.00 C ATOM 993 NE ARG A 67 -6.674 -8.569 -7.874 1.00 0.00 N ATOM 994 CZ ARG A 67 -7.465 -9.623 -8.064 1.00 0.00 C ATOM 995 NH1 ARG A 67 -8.783 -9.474 -8.104 1.00 0.00 N ATOM 996 NH2 ARG A 67 -6.937 -10.830 -8.214 1.00 0.00 N ATOM 0 H ARG A 67 -9.225 -6.606 -3.152 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.941 -5.263 -5.211 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.128 -7.825 -4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.896 -8.078 -6.136 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.119 -5.733 -6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.287 -7.223 -5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.173 -7.123 -8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.538 -6.511 -8.232 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.665 -8.721 -7.867 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.195 -8.548 -7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.384 -10.285 -8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.925 -10.951 -8.184 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.543 -11.637 -8.360 1.00 0.00 H new ATOM 1010 N VAL A 68 -10.515 -5.168 -7.034 1.00 0.00 N ATOM 1011 CA VAL A 68 -11.485 -4.997 -8.102 1.00 0.00 C ATOM 1012 C VAL A 68 -10.760 -4.721 -9.403 1.00 0.00 C ATOM 1013 O VAL A 68 -11.180 -3.889 -10.207 1.00 0.00 O ATOM 1014 CB VAL A 68 -12.483 -3.853 -7.807 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -12.970 -3.913 -6.365 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -11.859 -2.491 -8.098 1.00 0.00 C ATOM 0 H VAL A 68 -9.831 -4.414 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.060 -5.920 -8.179 1.00 0.00 H new ATOM 0 HB VAL A 68 -13.340 -3.985 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -13.670 -3.098 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.469 -4.866 -6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.120 -3.818 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -12.583 -1.705 -7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.977 -2.354 -7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.571 -2.440 -9.148 1.00 0.00 H new ATOM 1026 N THR A 69 -9.653 -5.430 -9.581 1.00 0.00 N ATOM 1027 CA THR A 69 -8.817 -5.282 -10.765 1.00 0.00 C ATOM 1028 C THR A 69 -9.555 -4.531 -11.856 1.00 0.00 C ATOM 1029 O THR A 69 -10.605 -4.964 -12.330 1.00 0.00 O ATOM 1030 CB THR A 69 -8.354 -6.636 -11.289 1.00 0.00 C ATOM 1031 OG1 THR A 69 -7.495 -7.272 -10.359 1.00 0.00 O ATOM 1032 CG2 THR A 69 -7.612 -6.525 -12.601 1.00 0.00 C ATOM 0 H THR A 69 -9.311 -6.120 -8.913 1.00 0.00 H new ATOM 0 HA THR A 69 -7.938 -4.707 -10.474 1.00 0.00 H new ATOM 0 HB THR A 69 -9.260 -7.222 -11.440 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.212 -8.140 -10.716 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.304 -7.518 -12.930 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.265 -6.080 -13.352 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.731 -5.897 -12.469 1.00 0.00 H new ATOM 1040 N VAL A 70 -9.005 -3.393 -12.230 1.00 0.00 N ATOM 1041 CA VAL A 70 -9.607 -2.552 -13.248 1.00 0.00 C ATOM 1042 C VAL A 70 -8.630 -2.216 -14.349 1.00 0.00 C ATOM 1043 O VAL A 70 -7.617 -2.889 -14.542 1.00 0.00 O ATOM 1044 CB VAL A 70 -10.130 -1.236 -12.656 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -11.552 -0.964 -13.126 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -10.059 -1.256 -11.134 1.00 0.00 C ATOM 0 H VAL A 70 -8.136 -3.027 -11.842 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.436 -3.127 -13.660 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.491 -0.428 -13.012 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.905 -0.027 -12.695 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.568 -0.892 -14.214 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.203 -1.778 -12.806 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.435 -0.312 -10.740 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.666 -2.077 -10.752 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.024 -1.394 -10.820 1.00 0.00 H new ATOM 1056 N MET A 71 -8.971 -1.168 -15.074 1.00 0.00 N ATOM 1057 CA MET A 71 -8.172 -0.693 -16.189 1.00 0.00 C ATOM 1058 C MET A 71 -6.728 -1.181 -16.104 1.00 0.00 C ATOM 1059 O MET A 71 -6.043 -0.956 -15.106 1.00 0.00 O ATOM 1060 CB MET A 71 -8.204 0.834 -16.258 1.00 0.00 C ATOM 1061 CG MET A 71 -8.477 1.490 -14.919 1.00 0.00 C ATOM 1062 SD MET A 71 -10.208 1.954 -14.711 1.00 0.00 S ATOM 1063 CE MET A 71 -10.480 2.929 -16.188 1.00 0.00 C ATOM 0 H MET A 71 -9.814 -0.619 -14.906 1.00 0.00 H new ATOM 0 HA MET A 71 -8.610 -1.104 -17.099 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.250 1.193 -16.643 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.971 1.143 -16.969 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.189 0.807 -14.119 1.00 0.00 H new ATOM 0 HG3 MET A 71 -7.853 2.378 -14.820 1.00 0.00 H new ATOM 0 HE1 MET A 71 -11.209 3.712 -15.978 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.540 3.383 -16.503 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.857 2.287 -16.984 1.00 0.00 H new ATOM 1073 N GLY A 72 -6.274 -1.847 -17.161 1.00 0.00 N ATOM 1074 CA GLY A 72 -4.914 -2.354 -17.195 1.00 0.00 C ATOM 1075 C GLY A 72 -4.663 -3.429 -16.155 1.00 0.00 C ATOM 1076 O GLY A 72 -3.525 -3.641 -15.735 1.00 0.00 O ATOM 0 H GLY A 72 -6.825 -2.045 -17.996 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.706 -2.758 -18.186 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.219 -1.530 -17.034 1.00 0.00 H new ATOM 1080 N GLY A 73 -5.726 -4.107 -15.738 1.00 0.00 N ATOM 1081 CA GLY A 73 -5.594 -5.155 -14.745 1.00 0.00 C ATOM 1082 C GLY A 73 -5.134 -4.624 -13.404 1.00 0.00 C ATOM 1083 O GLY A 73 -4.547 -5.357 -12.607 1.00 0.00 O ATOM 0 H GLY A 73 -6.677 -3.949 -16.070 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.552 -5.660 -14.624 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.884 -5.901 -15.100 1.00 0.00 H new ATOM 1087 N PHE A 74 -5.400 -3.346 -13.152 1.00 0.00 N ATOM 1088 CA PHE A 74 -5.007 -2.721 -11.895 1.00 0.00 C ATOM 1089 C PHE A 74 -5.390 -3.603 -10.714 1.00 0.00 C ATOM 1090 O PHE A 74 -5.924 -4.697 -10.892 1.00 0.00 O ATOM 1091 CB PHE A 74 -5.652 -1.340 -11.753 1.00 0.00 C ATOM 1092 CG PHE A 74 -4.834 -0.231 -12.356 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -3.462 -0.180 -12.166 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -5.439 0.761 -13.111 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -2.709 0.839 -12.719 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -4.691 1.782 -13.666 1.00 0.00 C ATOM 1097 CZ PHE A 74 -3.324 1.821 -13.470 1.00 0.00 C ATOM 0 H PHE A 74 -5.885 -2.725 -13.800 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.924 -2.599 -11.902 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.634 -1.356 -12.227 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.812 -1.129 -10.696 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.976 -0.945 -11.579 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.507 0.736 -13.268 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.641 0.867 -12.564 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.175 2.549 -14.253 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.738 2.618 -13.903 1.00 0.00 H new ATOM 1107 N LYS A 75 -5.108 -3.127 -9.508 1.00 0.00 N ATOM 1108 CA LYS A 75 -5.420 -3.887 -8.305 1.00 0.00 C ATOM 1109 C LYS A 75 -5.496 -2.989 -7.073 1.00 0.00 C ATOM 1110 O LYS A 75 -4.495 -2.775 -6.390 1.00 0.00 O ATOM 1111 CB LYS A 75 -4.366 -4.973 -8.074 1.00 0.00 C ATOM 1112 CG LYS A 75 -3.458 -5.209 -9.268 1.00 0.00 C ATOM 1113 CD LYS A 75 -2.619 -3.982 -9.582 1.00 0.00 C ATOM 1114 CE LYS A 75 -1.133 -4.298 -9.540 1.00 0.00 C ATOM 1115 NZ LYS A 75 -0.326 -3.273 -10.257 1.00 0.00 N ATOM 0 H LYS A 75 -4.666 -2.224 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.397 -4.346 -8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.756 -4.697 -7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.869 -5.907 -7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.803 -6.057 -9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.060 -5.471 -10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.883 -3.602 -10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.845 -3.192 -8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.804 -4.358 -8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.957 -5.276 -9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.682 -3.526 -10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.622 -3.233 -11.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.473 -2.343 -9.815 1.00 0.00 H new ATOM 1129 N VAL A 76 -6.693 -2.495 -6.773 1.00 0.00 N ATOM 1130 CA VAL A 76 -6.901 -1.652 -5.596 1.00 0.00 C ATOM 1131 C VAL A 76 -7.143 -2.512 -4.405 1.00 0.00 C ATOM 1132 O VAL A 76 -7.595 -2.042 -3.361 1.00 0.00 O ATOM 1133 CB VAL A 76 -8.132 -0.739 -5.758 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -7.854 0.330 -6.802 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -9.303 -1.617 -6.177 1.00 0.00 C ATOM 0 H VAL A 76 -7.534 -2.662 -7.326 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.007 -1.039 -5.476 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.364 -0.230 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.730 0.970 -6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.001 0.932 -6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.632 -0.144 -7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.194 -1.001 -6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.069 -2.110 -7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.486 -2.370 -5.410 1.00 0.00 H new ATOM 1145 N GLU A 77 -6.873 -3.784 -4.588 1.00 0.00 N ATOM 1146 CA GLU A 77 -7.109 -4.752 -3.535 1.00 0.00 C ATOM 1147 C GLU A 77 -8.252 -4.199 -2.720 1.00 0.00 C ATOM 1148 O GLU A 77 -8.236 -4.209 -1.493 1.00 0.00 O ATOM 1149 CB GLU A 77 -5.850 -4.924 -2.679 1.00 0.00 C ATOM 1150 CG GLU A 77 -4.673 -4.082 -3.145 1.00 0.00 C ATOM 1151 CD GLU A 77 -3.755 -4.836 -4.086 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -4.211 -5.209 -5.187 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -2.580 -5.055 -3.722 1.00 0.00 O ATOM 0 H GLU A 77 -6.492 -4.174 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.352 -5.737 -3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.085 -4.664 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.559 -5.974 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.046 -3.188 -3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.104 -3.748 -2.278 1.00 0.00 H new ATOM 1160 N ASN A 78 -9.204 -3.631 -3.464 1.00 0.00 N ATOM 1161 CA ASN A 78 -10.340 -2.939 -2.897 1.00 0.00 C ATOM 1162 C ASN A 78 -10.274 -3.034 -1.395 1.00 0.00 C ATOM 1163 O ASN A 78 -11.052 -3.729 -0.744 1.00 0.00 O ATOM 1164 CB ASN A 78 -11.671 -3.429 -3.421 1.00 0.00 C ATOM 1165 CG ASN A 78 -12.729 -2.430 -3.039 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -12.649 -1.259 -3.404 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -13.716 -2.881 -2.303 1.00 0.00 N ATOM 0 H ASN A 78 -9.199 -3.644 -4.484 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.279 -1.896 -3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.633 -3.545 -4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.906 -4.408 -3.004 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.738 -3.862 -2.025 1.00 0.00 H new ATOM 1172 N HIS A 79 -9.272 -2.356 -0.884 1.00 0.00 N ATOM 1173 CA HIS A 79 -8.961 -2.346 0.524 1.00 0.00 C ATOM 1174 C HIS A 79 -10.164 -2.316 1.431 1.00 0.00 C ATOM 1175 O HIS A 79 -10.982 -1.404 1.416 1.00 0.00 O ATOM 1176 CB HIS A 79 -8.024 -1.196 0.841 1.00 0.00 C ATOM 1177 CG HIS A 79 -6.751 -1.344 0.098 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -5.695 -0.473 0.157 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -6.396 -2.317 -0.761 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -4.744 -0.936 -0.667 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -5.121 -2.058 -1.248 1.00 0.00 N ATOM 0 H HIS A 79 -8.640 -1.786 -1.447 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.472 -3.298 0.728 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -8.498 -0.250 0.578 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.825 -1.166 1.912 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.642 0.373 0.724 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.007 -3.166 -1.030 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.793 -0.453 -0.833 1.00 0.00 H new ATOM 1189 N THR A 80 -10.216 -3.329 2.255 1.00 0.00 N ATOM 1190 CA THR A 80 -11.262 -3.463 3.249 1.00 0.00 C ATOM 1191 C THR A 80 -10.635 -3.324 4.628 1.00 0.00 C ATOM 1192 O THR A 80 -11.318 -3.102 5.628 1.00 0.00 O ATOM 1193 CB THR A 80 -11.968 -4.801 3.091 1.00 0.00 C ATOM 1194 OG1 THR A 80 -11.397 -5.780 3.939 1.00 0.00 O ATOM 1195 CG2 THR A 80 -11.898 -5.309 1.672 1.00 0.00 C ATOM 0 H THR A 80 -9.536 -4.089 2.260 1.00 0.00 H new ATOM 0 HA THR A 80 -12.012 -2.683 3.118 1.00 0.00 H new ATOM 0 HB THR A 80 -13.010 -4.631 3.362 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.868 -6.631 3.820 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.414 -6.267 1.602 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.374 -4.591 1.005 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.855 -5.437 1.382 1.00 0.00 H new ATOM 1203 N ALA A 81 -9.307 -3.432 4.649 1.00 0.00 N ATOM 1204 CA ALA A 81 -8.524 -3.298 5.862 1.00 0.00 C ATOM 1205 C ALA A 81 -7.092 -2.952 5.482 1.00 0.00 C ATOM 1206 O ALA A 81 -6.521 -3.578 4.593 1.00 0.00 O ATOM 1207 CB ALA A 81 -8.577 -4.579 6.680 1.00 0.00 C ATOM 0 H ALA A 81 -8.747 -3.616 3.816 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.937 -2.501 6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.983 -4.457 7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.611 -4.796 6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.175 -5.404 6.091 1.00 0.00 H new ATOM 1213 N CYS A 82 -6.520 -1.944 6.125 1.00 0.00 N ATOM 1214 CA CYS A 82 -5.158 -1.531 5.806 1.00 0.00 C ATOM 1215 C CYS A 82 -4.291 -1.476 7.059 1.00 0.00 C ATOM 1216 O CYS A 82 -4.631 -0.807 8.034 1.00 0.00 O ATOM 1217 CB CYS A 82 -5.161 -0.166 5.117 1.00 0.00 C ATOM 1218 SG CYS A 82 -4.818 -0.240 3.328 1.00 0.00 S ATOM 0 H CYS A 82 -6.970 -1.402 6.862 1.00 0.00 H new ATOM 0 HA CYS A 82 -4.736 -2.273 5.128 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.131 0.306 5.272 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -4.417 0.472 5.593 1.00 0.00 H new ATOM 1223 N HIS A 83 -3.163 -2.176 7.019 1.00 0.00 N ATOM 1224 CA HIS A 83 -2.238 -2.200 8.145 1.00 0.00 C ATOM 1225 C HIS A 83 -0.827 -1.846 7.689 1.00 0.00 C ATOM 1226 O HIS A 83 -0.196 -2.599 6.947 1.00 0.00 O ATOM 1227 CB HIS A 83 -2.245 -3.571 8.826 1.00 0.00 C ATOM 1228 CG HIS A 83 -1.661 -4.671 7.992 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -1.852 -4.997 6.691 1.00 0.00 N flip ATOM 1230 CD2 HIS A 83 -0.768 -5.599 8.490 1.00 0.00 C flip ATOM 1231 CE1 HIS A 83 -1.079 -6.103 6.431 1.00 0.00 C flip ATOM 1232 NE2 HIS A 83 -0.435 -6.446 7.532 1.00 0.00 N flip ATOM 0 H HIS A 83 -2.867 -2.735 6.218 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.568 -1.454 8.868 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -1.688 -3.503 9.761 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.271 -3.831 9.084 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.399 -5.628 9.505 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.009 -6.610 5.480 1.00 0.00 H new ATOM 0 HE2 HIS A 83 0.210 -7.231 7.627 1.00 0.00 H new ATOM 1241 N CYS A 84 -0.342 -0.692 8.135 1.00 0.00 N ATOM 1242 CA CYS A 84 0.993 -0.226 7.774 1.00 0.00 C ATOM 1243 C CYS A 84 1.979 -0.490 8.908 1.00 0.00 C ATOM 1244 O CYS A 84 1.813 0.018 10.017 1.00 0.00 O ATOM 1245 CB CYS A 84 0.954 1.269 7.426 1.00 0.00 C ATOM 1246 SG CYS A 84 1.741 2.370 8.650 1.00 0.00 S ATOM 0 H CYS A 84 -0.855 -0.060 8.749 1.00 0.00 H new ATOM 0 HA CYS A 84 1.330 -0.778 6.897 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.442 1.415 6.462 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -0.086 1.571 7.305 1.00 0.00 H new ATOM 1251 N SER A 85 2.998 -1.297 8.620 1.00 0.00 N ATOM 1252 CA SER A 85 4.015 -1.643 9.612 1.00 0.00 C ATOM 1253 C SER A 85 3.737 -3.017 10.212 1.00 0.00 C ATOM 1254 O SER A 85 2.669 -3.591 10.001 1.00 0.00 O ATOM 1255 CB SER A 85 4.071 -0.587 10.721 1.00 0.00 C ATOM 1256 OG SER A 85 5.300 -0.646 11.424 1.00 0.00 O ATOM 0 H SER A 85 3.142 -1.725 7.705 1.00 0.00 H new ATOM 0 HA SER A 85 4.981 -1.671 9.108 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.944 0.405 10.288 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.245 -0.741 11.415 1.00 0.00 H new ATOM 0 HG SER A 85 5.309 0.039 12.124 1.00 0.00 H new ATOM 1262 N THR A 86 4.704 -3.543 10.956 1.00 0.00 N ATOM 1263 CA THR A 86 4.555 -4.854 11.579 1.00 0.00 C ATOM 1264 C THR A 86 3.943 -5.851 10.599 1.00 0.00 C ATOM 1265 O THR A 86 2.888 -6.427 10.862 1.00 0.00 O ATOM 1266 CB THR A 86 3.682 -4.748 12.831 1.00 0.00 C ATOM 1267 OG1 THR A 86 3.284 -3.407 13.055 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.374 -5.237 14.085 1.00 0.00 C ATOM 0 H THR A 86 5.596 -3.084 11.142 1.00 0.00 H new ATOM 0 HA THR A 86 5.544 -5.212 11.864 1.00 0.00 H new ATOM 0 HB THR A 86 2.821 -5.387 12.637 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.725 -3.361 13.859 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.700 -5.134 14.936 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.649 -6.285 13.964 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.272 -4.644 14.260 1.00 0.00 H new ATOM 1276 N CYS A 87 4.611 -6.046 9.464 1.00 0.00 N ATOM 1277 CA CYS A 87 4.130 -6.970 8.441 1.00 0.00 C ATOM 1278 C CYS A 87 4.438 -8.415 8.816 1.00 0.00 C ATOM 1279 O CYS A 87 5.350 -9.028 8.262 1.00 0.00 O ATOM 1280 CB CYS A 87 4.764 -6.641 7.089 1.00 0.00 C ATOM 1281 SG CYS A 87 4.951 -4.857 6.769 1.00 0.00 S ATOM 0 H CYS A 87 5.486 -5.577 9.230 1.00 0.00 H new ATOM 0 HA CYS A 87 3.048 -6.856 8.370 1.00 0.00 H new ATOM 0 HB2 CYS A 87 5.745 -7.114 7.035 1.00 0.00 H new ATOM 0 HB3 CYS A 87 4.155 -7.079 6.298 1.00 0.00 H new ATOM 1286 N TYR A 88 3.669 -8.955 9.754 1.00 0.00 N ATOM 1287 CA TYR A 88 3.858 -10.332 10.196 1.00 0.00 C ATOM 1288 C TYR A 88 3.581 -11.306 9.058 1.00 0.00 C ATOM 1289 O TYR A 88 2.432 -11.500 8.661 1.00 0.00 O ATOM 1290 CB TYR A 88 2.938 -10.639 11.377 1.00 0.00 C ATOM 1291 CG TYR A 88 3.372 -9.982 12.666 1.00 0.00 C ATOM 1292 CD1 TYR A 88 4.346 -10.562 13.468 1.00 0.00 C ATOM 1293 CD2 TYR A 88 2.808 -8.782 13.081 1.00 0.00 C ATOM 1294 CE1 TYR A 88 4.747 -9.964 14.649 1.00 0.00 C ATOM 1295 CE2 TYR A 88 3.204 -8.178 14.259 1.00 0.00 C ATOM 1296 CZ TYR A 88 4.172 -8.773 15.039 1.00 0.00 C ATOM 1297 OH TYR A 88 4.568 -8.174 16.212 1.00 0.00 O ATOM 0 H TYR A 88 2.910 -8.461 10.223 1.00 0.00 H new ATOM 0 HA TYR A 88 4.895 -10.450 10.511 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.927 -10.312 11.134 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.897 -11.718 11.524 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.798 -11.495 13.165 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.048 -8.314 12.473 1.00 0.00 H new ATOM 0 HE1 TYR A 88 5.506 -10.427 15.262 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.757 -7.244 14.567 1.00 0.00 H new ATOM 0 HH TYR A 88 4.066 -7.342 16.340 1.00 0.00 H new ATOM 1307 N TYR A 89 4.639 -11.914 8.531 1.00 0.00 N ATOM 1308 CA TYR A 89 4.501 -12.862 7.433 1.00 0.00 C ATOM 1309 C TYR A 89 4.630 -14.300 7.926 1.00 0.00 C ATOM 1310 O TYR A 89 4.560 -14.564 9.127 1.00 0.00 O ATOM 1311 CB TYR A 89 5.546 -12.579 6.355 1.00 0.00 C ATOM 1312 CG TYR A 89 4.974 -11.917 5.123 1.00 0.00 C ATOM 1313 CD1 TYR A 89 4.350 -10.678 5.203 1.00 0.00 C ATOM 1314 CD2 TYR A 89 5.055 -12.533 3.881 1.00 0.00 C ATOM 1315 CE1 TYR A 89 3.825 -10.070 4.078 1.00 0.00 C ATOM 1316 CE2 TYR A 89 4.533 -11.932 2.752 1.00 0.00 C ATOM 1317 CZ TYR A 89 3.919 -10.702 2.856 1.00 0.00 C ATOM 1318 OH TYR A 89 3.398 -10.100 1.733 1.00 0.00 O ATOM 0 H TYR A 89 5.598 -11.767 8.846 1.00 0.00 H new ATOM 0 HA TYR A 89 3.506 -12.739 7.005 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.324 -11.941 6.773 1.00 0.00 H new ATOM 0 HB3 TYR A 89 6.023 -13.516 6.067 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.274 -10.182 6.159 1.00 0.00 H new ATOM 0 HD2 TYR A 89 5.534 -13.497 3.796 1.00 0.00 H new ATOM 0 HE1 TYR A 89 3.344 -9.106 4.156 1.00 0.00 H new ATOM 0 HE2 TYR A 89 4.606 -12.423 1.793 1.00 0.00 H new ATOM 0 HH TYR A 89 3.548 -10.675 0.954 1.00 0.00 H new ATOM 1328 N HIS A 90 4.808 -15.227 6.990 1.00 0.00 N ATOM 1329 CA HIS A 90 4.935 -16.640 7.326 1.00 0.00 C ATOM 1330 C HIS A 90 6.278 -17.201 6.866 1.00 0.00 C ATOM 1331 O HIS A 90 6.651 -18.317 7.229 1.00 0.00 O ATOM 1332 CB HIS A 90 3.794 -17.435 6.688 1.00 0.00 C ATOM 1333 CG HIS A 90 3.245 -16.800 5.447 1.00 0.00 C ATOM 1334 ND1 HIS A 90 4.043 -16.220 4.483 1.00 0.00 N ATOM 1335 CD2 HIS A 90 1.969 -16.656 5.013 1.00 0.00 C ATOM 1336 CE1 HIS A 90 3.284 -15.747 3.512 1.00 0.00 C ATOM 1337 NE2 HIS A 90 2.022 -15.999 3.808 1.00 0.00 N ATOM 0 H HIS A 90 4.868 -15.024 5.992 1.00 0.00 H new ATOM 0 HA HIS A 90 4.881 -16.734 8.411 1.00 0.00 H new ATOM 0 HB2 HIS A 90 4.150 -18.437 6.447 1.00 0.00 H new ATOM 0 HB3 HIS A 90 2.990 -17.549 7.415 1.00 0.00 H new ATOM 0 HD2 HIS A 90 1.077 -16.995 5.520 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.636 -15.240 2.626 1.00 0.00 H new ATOM 0 HE2 HIS A 90 1.217 -15.747 3.235 1.00 0.00 H new ATOM 1346 N LYS A 91 7.001 -16.425 6.065 1.00 0.00 N ATOM 1347 CA LYS A 91 8.298 -16.856 5.556 1.00 0.00 C ATOM 1348 C LYS A 91 9.022 -15.707 4.863 1.00 0.00 C ATOM 1349 O LYS A 91 9.544 -15.866 3.759 1.00 0.00 O ATOM 1350 CB LYS A 91 8.119 -18.021 4.582 1.00 0.00 C ATOM 1351 CG LYS A 91 9.311 -18.962 4.530 1.00 0.00 C ATOM 1352 CD LYS A 91 9.756 -19.217 3.099 1.00 0.00 C ATOM 1353 CE LYS A 91 11.266 -19.360 3.002 1.00 0.00 C ATOM 1354 NZ LYS A 91 11.973 -18.122 3.431 1.00 0.00 N ATOM 0 H LYS A 91 6.712 -15.497 5.755 1.00 0.00 H new ATOM 0 HA LYS A 91 8.903 -17.183 6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.232 -18.588 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.937 -17.624 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.137 -18.536 5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.051 -19.908 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.279 -20.123 2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.426 -18.396 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.591 -20.196 3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.542 -19.598 1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.659 -17.843 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.282 -17.357 3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.473 -18.300 4.326 1.00 0.00 H new ATOM 1368 N SER A 92 9.048 -14.550 5.515 1.00 0.00 N ATOM 1369 CA SER A 92 9.705 -13.375 4.957 1.00 0.00 C ATOM 1370 C SER A 92 10.492 -12.628 6.028 1.00 0.00 C ATOM 1371 O SER A 92 11.727 -12.511 5.879 1.00 0.00 O ATOM 1372 CB SER A 92 8.671 -12.445 4.322 1.00 0.00 C ATOM 1373 OG SER A 92 8.885 -12.325 2.927 1.00 0.00 O ATOM 1374 OXT SER A 92 9.868 -12.165 7.006 1.00 0.00 O ATOM 0 H SER A 92 8.622 -14.401 6.430 1.00 0.00 H new ATOM 0 HA SER A 92 10.404 -13.709 4.190 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.668 -12.829 4.508 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.727 -11.461 4.788 1.00 0.00 H new ATOM 0 HG SER A 92 8.211 -11.727 2.543 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 23.933 -5.415 9.003 1.00 0.00 C HETATM 1382 C2 NAG A1052 23.449 -4.571 10.175 1.00 0.00 C HETATM 1383 C3 NAG A1052 23.621 -5.325 11.481 1.00 0.00 C HETATM 1384 C4 NAG A1052 22.964 -6.689 11.390 1.00 0.00 C HETATM 1385 C5 NAG A1052 23.475 -7.447 10.173 1.00 0.00 C HETATM 1386 C6 NAG A1052 22.764 -8.771 9.977 1.00 0.00 C HETATM 1387 C7 NAG A1052 23.605 -2.167 10.096 1.00 0.00 C HETATM 1388 C8 NAG A1052 24.473 -0.921 10.140 1.00 0.00 C HETATM 1389 N2 NAG A1052 24.215 -3.341 10.227 1.00 0.00 N HETATM 1390 O3 NAG A1052 23.019 -4.583 12.532 1.00 0.00 O HETATM 1391 O4 NAG A1052 23.265 -7.431 12.562 1.00 0.00 O HETATM 1392 O5 NAG A1052 23.269 -6.686 8.970 1.00 0.00 O HETATM 1393 O6 NAG A1052 21.362 -8.589 9.835 1.00 0.00 O HETATM 1394 O7 NAG A1052 22.388 -2.060 9.943 1.00 0.00 O HETATM 0 HO6 NAG A1052 21.185 -7.719 9.420 1.00 0.00 H new HETATM 0 HO4 NAG A1052 22.612 -8.154 12.668 1.00 0.00 H new HETATM 0 HO3 NAG A1052 23.126 -5.067 13.377 1.00 0.00 H new HETATM 0 HN2 NAG A1052 25.225 -3.377 10.365 1.00 0.00 H new HETATM 0 H83 NAG A1052 24.991 -0.872 11.098 1.00 0.00 H new HETATM 0 H82 NAG A1052 25.205 -0.959 9.333 1.00 0.00 H new HETATM 0 H81 NAG A1052 23.847 -0.037 10.021 1.00 0.00 H new HETATM 0 H62 NAG A1052 23.159 -9.271 9.093 1.00 0.00 H new HETATM 0 H61 NAG A1052 22.964 -9.423 10.828 1.00 0.00 H new HETATM 0 H5 NAG A1052 24.535 -7.619 10.359 1.00 0.00 H new HETATM 0 H4 NAG A1052 21.886 -6.556 11.295 1.00 0.00 H new HETATM 0 H3 NAG A1052 24.685 -5.456 11.679 1.00 0.00 H new HETATM 0 H2 NAG A1052 22.391 -4.348 10.035 1.00 0.00 H new HETATM 1404 C1 NAG A1078 -14.690 -1.961 -1.778 1.00 0.00 C HETATM 1405 C2 NAG A1078 -16.067 -2.284 -2.346 1.00 0.00 C HETATM 1406 C3 NAG A1078 -17.117 -1.375 -1.734 1.00 0.00 C HETATM 1407 C4 NAG A1078 -17.049 -1.433 -0.223 1.00 0.00 C HETATM 1408 C5 NAG A1078 -15.634 -1.157 0.263 1.00 0.00 C HETATM 1409 C6 NAG A1078 -15.500 -1.334 1.761 1.00 0.00 C HETATM 1410 C7 NAG A1078 -16.377 -3.120 -4.581 1.00 0.00 C HETATM 1411 C8 NAG A1078 -16.392 -2.857 -6.077 1.00 0.00 C HETATM 1412 N2 NAG A1078 -16.067 -2.103 -3.783 1.00 0.00 N HETATM 1413 O3 NAG A1078 -18.403 -1.796 -2.161 1.00 0.00 O HETATM 1414 O4 NAG A1078 -17.924 -0.456 0.319 1.00 0.00 O HETATM 1415 O5 NAG A1078 -14.696 -2.057 -0.346 1.00 0.00 O HETATM 1416 O6 NAG A1078 -16.353 -0.439 2.460 1.00 0.00 O HETATM 1417 O7 NAG A1078 -16.648 -4.243 -4.154 1.00 0.00 O HETATM 0 HO6 NAG A1078 -16.249 -0.574 3.425 1.00 0.00 H new HETATM 0 HO4 NAG A1078 -17.600 -0.181 1.202 1.00 0.00 H new HETATM 0 HO3 NAG A1078 -19.085 -1.213 -1.767 1.00 0.00 H new HETATM 0 HN2 NAG A1078 -15.829 -1.195 -4.183 1.00 0.00 H new HETATM 0 H83 NAG A1078 -17.123 -2.081 -6.303 1.00 0.00 H new HETATM 0 H82 NAG A1078 -15.403 -2.529 -6.399 1.00 0.00 H new HETATM 0 H81 NAG A1078 -16.660 -3.772 -6.605 1.00 0.00 H new HETATM 0 H62 NAG A1078 -15.745 -2.361 2.032 1.00 0.00 H new HETATM 0 H61 NAG A1078 -14.466 -1.163 2.059 1.00 0.00 H new HETATM 0 H5 NAG A1078 -15.424 -0.123 -0.011 1.00 0.00 H new HETATM 0 H4 NAG A1078 -17.344 -2.430 0.103 1.00 0.00 H new HETATM 0 H3 NAG A1078 -16.931 -0.351 -2.057 1.00 0.00 H new HETATM 0 H2 NAG A1078 -16.302 -3.321 -2.106 1.00 0.00 H new