USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 697 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 0 SER OG : rot 180:sc= 0.00535 USER MOD Single : A 1 MET CE :methyl -140:sc= 0 (180deg=-0.02) USER MOD Single : A 2 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.35) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.724 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A -3 GLY N :NH3+ -120:sc= 0.0815 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 146:sc= -0.368 (180deg=-1.74!) USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.381) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 42 MET CE :methyl -175:sc= -1.31 (180deg=-1.47) USER MOD Single : A 44 GLN : amide:sc= -0.789 K(o=-0.79,f=-1.9!) USER MOD Single : A 47 ASN :FLIP amide:sc= 0.493 F(o=-3.6!,f=0.49) USER MOD Single : A 50 ASN :FLIP amide:sc= 0.38 F(o=-2.8!,f=0.38) USER MOD Single : A 51 THR OG1 : rot -61:sc= 0.937 USER MOD Single : A 54 GLN : amide:sc= -2.28 K(o=-2.3,f=-5.5!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-1.3) USER MOD Single : A 65 CYS SG : rot 180:sc= -0.138 USER MOD Single : A 69 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 73 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.3!) USER MOD Single : A 74 LYS NZ :NH3+ -169:sc=-0.000267 (180deg=-0.0706) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 11.505 -7.776 0.065 1.00 0.00 N ATOM 2 CA GLY A -3 12.770 -7.416 0.679 1.00 0.00 C ATOM 3 C GLY A -3 13.039 -5.926 0.621 1.00 0.00 C ATOM 4 O GLY A -3 12.260 -5.154 0.062 1.00 0.00 O ATOM 0 H1 GLY A -3 10.894 -8.234 0.771 1.00 0.00 H new ATOM 0 H2 GLY A -3 11.037 -6.919 -0.294 1.00 0.00 H new ATOM 0 H3 GLY A -3 11.676 -8.433 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A -3 12.771 -7.742 1.719 1.00 0.00 H new ATOM 0 HA3 GLY A -3 13.578 -7.948 0.177 1.00 0.00 H new ATOM 8 N PRO A -2 14.166 -5.501 1.212 1.00 0.00 N ATOM 9 CA PRO A -2 14.562 -4.090 1.240 1.00 0.00 C ATOM 10 C PRO A -2 14.972 -3.575 -0.136 1.00 0.00 C ATOM 11 O PRO A -2 15.695 -4.248 -0.870 1.00 0.00 O ATOM 12 CB PRO A -2 15.758 -4.075 2.195 1.00 0.00 C ATOM 13 CG PRO A -2 16.316 -5.454 2.124 1.00 0.00 C ATOM 14 CD PRO A -2 15.141 -6.365 1.897 1.00 0.00 C ATOM 0 HA PRO A -2 13.742 -3.443 1.552 1.00 0.00 H new ATOM 0 HB2 PRO A -2 16.497 -3.333 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A -2 15.451 -3.824 3.210 1.00 0.00 H new ATOM 0 HG2 PRO A -2 17.040 -5.541 1.313 1.00 0.00 H new ATOM 0 HG3 PRO A -2 16.837 -5.712 3.046 1.00 0.00 H new ATOM 0 HD2 PRO A -2 15.413 -7.226 1.287 1.00 0.00 H new ATOM 0 HD3 PRO A -2 14.745 -6.752 2.836 1.00 0.00 H new ATOM 22 N GLY A -1 14.506 -2.378 -0.479 1.00 0.00 N ATOM 23 CA GLY A -1 14.836 -1.795 -1.766 1.00 0.00 C ATOM 24 C GLY A -1 14.781 -0.280 -1.747 1.00 0.00 C ATOM 25 O GLY A -1 13.736 0.306 -1.463 1.00 0.00 O ATOM 0 H GLY A -1 13.906 -1.802 0.111 1.00 0.00 H new ATOM 0 HA2 GLY A -1 15.835 -2.116 -2.061 1.00 0.00 H new ATOM 0 HA3 GLY A -1 14.145 -2.171 -2.520 1.00 0.00 H new ATOM 29 N SER A 0 15.909 0.356 -2.048 1.00 0.00 N ATOM 30 CA SER A 0 15.986 1.812 -2.059 1.00 0.00 C ATOM 31 C SER A 0 15.283 2.384 -3.287 1.00 0.00 C ATOM 32 O SER A 0 15.101 1.693 -4.289 1.00 0.00 O ATOM 33 CB SER A 0 17.447 2.266 -2.035 1.00 0.00 C ATOM 34 OG SER A 0 18.239 1.396 -1.246 1.00 0.00 O ATOM 0 H SER A 0 16.782 -0.114 -2.287 1.00 0.00 H new ATOM 0 HA SER A 0 15.482 2.185 -1.167 1.00 0.00 H new ATOM 0 HB2 SER A 0 17.838 2.297 -3.052 1.00 0.00 H new ATOM 0 HB3 SER A 0 17.510 3.279 -1.639 1.00 0.00 H new ATOM 0 HG SER A 0 19.168 1.707 -1.248 1.00 0.00 H new ATOM 40 N MET A 1 14.891 3.651 -3.199 1.00 0.00 N ATOM 41 CA MET A 1 14.209 4.317 -4.303 1.00 0.00 C ATOM 42 C MET A 1 14.935 5.600 -4.695 1.00 0.00 C ATOM 43 O MET A 1 15.111 5.889 -5.879 1.00 0.00 O ATOM 44 CB MET A 1 12.762 4.632 -3.920 1.00 0.00 C ATOM 45 CG MET A 1 11.964 5.279 -5.041 1.00 0.00 C ATOM 46 SD MET A 1 11.461 4.097 -6.307 1.00 0.00 S ATOM 47 CE MET A 1 10.051 3.330 -5.512 1.00 0.00 C ATOM 0 H MET A 1 15.034 4.236 -2.376 1.00 0.00 H new ATOM 0 HA MET A 1 14.212 3.643 -5.160 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.266 3.710 -3.617 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.760 5.294 -3.054 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.078 5.756 -4.622 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.563 6.065 -5.501 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.058 2.259 -5.713 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.104 3.497 -4.436 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.131 3.767 -5.902 1.00 0.00 H new ATOM 57 N LYS A 2 15.354 6.367 -3.694 1.00 0.00 N ATOM 58 CA LYS A 2 16.062 7.619 -3.934 1.00 0.00 C ATOM 59 C LYS A 2 17.570 7.424 -3.807 1.00 0.00 C ATOM 60 O LYS A 2 18.033 6.567 -3.056 1.00 0.00 O ATOM 61 CB LYS A 2 15.591 8.691 -2.949 1.00 0.00 C ATOM 62 CG LYS A 2 14.196 9.215 -3.241 1.00 0.00 C ATOM 63 CD LYS A 2 14.184 10.118 -4.463 1.00 0.00 C ATOM 64 CE LYS A 2 12.840 10.077 -5.174 1.00 0.00 C ATOM 65 NZ LYS A 2 12.692 8.853 -6.010 1.00 0.00 N ATOM 0 H LYS A 2 15.215 6.143 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 2 15.840 7.945 -4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.611 8.279 -1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.294 9.524 -2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.517 8.377 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.825 9.766 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.406 11.142 -4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.971 9.810 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.038 10.112 -4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.735 10.961 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.269 9.107 -6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.627 8.425 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.077 8.172 -5.522 1.00 0.00 H new ATOM 79 N GLU A 3 18.330 8.227 -4.546 1.00 0.00 N ATOM 80 CA GLU A 3 19.785 8.142 -4.515 1.00 0.00 C ATOM 81 C GLU A 3 20.411 9.534 -4.507 1.00 0.00 C ATOM 82 O GLU A 3 19.880 10.468 -5.109 1.00 0.00 O ATOM 83 CB GLU A 3 20.298 7.347 -5.717 1.00 0.00 C ATOM 84 CG GLU A 3 20.143 8.077 -7.041 1.00 0.00 C ATOM 85 CD GLU A 3 18.694 8.214 -7.466 1.00 0.00 C ATOM 86 OE1 GLU A 3 18.145 7.241 -8.024 1.00 0.00 O ATOM 87 OE2 GLU A 3 18.110 9.294 -7.240 1.00 0.00 O ATOM 0 H GLU A 3 17.962 8.943 -5.173 1.00 0.00 H new ATOM 0 HA GLU A 3 20.074 7.627 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.351 7.111 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.763 6.399 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 3 20.589 9.068 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.695 7.542 -7.813 1.00 0.00 H new ATOM 94 N ILE A 4 21.541 9.664 -3.821 1.00 0.00 N ATOM 95 CA ILE A 4 22.240 10.941 -3.735 1.00 0.00 C ATOM 96 C ILE A 4 23.561 10.897 -4.496 1.00 0.00 C ATOM 97 O ILE A 4 24.298 9.914 -4.423 1.00 0.00 O ATOM 98 CB ILE A 4 22.516 11.334 -2.272 1.00 0.00 C ATOM 99 CG1 ILE A 4 22.905 12.811 -2.183 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.611 10.456 -1.685 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.388 13.056 -2.348 1.00 0.00 C ATOM 0 H ILE A 4 21.992 8.901 -3.316 1.00 0.00 H new ATOM 0 HA ILE A 4 21.588 11.689 -4.187 1.00 0.00 H new ATOM 0 HB ILE A 4 21.606 11.182 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.366 13.367 -2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 4 22.585 13.205 -1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 4 23.795 10.746 -0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.298 9.412 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.526 10.579 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 4 24.591 14.124 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 4 24.933 12.528 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 4 24.710 12.693 -3.324 1.00 0.00 H new ATOM 113 N ILE A 5 23.853 11.969 -5.225 1.00 0.00 N ATOM 114 CA ILE A 5 25.087 12.054 -5.997 1.00 0.00 C ATOM 115 C ILE A 5 25.809 13.371 -5.735 1.00 0.00 C ATOM 116 O ILE A 5 25.178 14.409 -5.533 1.00 0.00 O ATOM 117 CB ILE A 5 24.816 11.921 -7.507 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.753 10.852 -7.765 1.00 0.00 C ATOM 119 CG2 ILE A 5 26.102 11.587 -8.248 1.00 0.00 C ATOM 120 CD1 ILE A 5 23.457 10.635 -9.233 1.00 0.00 C ATOM 0 H ILE A 5 23.252 12.790 -5.297 1.00 0.00 H new ATOM 0 HA ILE A 5 25.719 11.226 -5.675 1.00 0.00 H new ATOM 0 HB ILE A 5 24.442 12.875 -7.879 1.00 0.00 H new ATOM 0 HG12 ILE A 5 24.083 9.910 -7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.832 11.136 -7.255 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.894 11.496 -9.314 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.832 12.381 -8.087 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.503 10.645 -7.875 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.694 9.864 -9.340 1.00 0.00 H new ATOM 0 HD12 ILE A 5 23.097 11.565 -9.673 1.00 0.00 H new ATOM 0 HD13 ILE A 5 24.366 10.320 -9.745 1.00 0.00 H new ATOM 132 N LEU A 6 27.137 13.322 -5.740 1.00 0.00 N ATOM 133 CA LEU A 6 27.947 14.511 -5.505 1.00 0.00 C ATOM 134 C LEU A 6 28.854 14.798 -6.698 1.00 0.00 C ATOM 135 O LEU A 6 29.759 14.021 -7.003 1.00 0.00 O ATOM 136 CB LEU A 6 28.790 14.336 -4.240 1.00 0.00 C ATOM 137 CG LEU A 6 28.960 12.901 -3.740 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.261 12.756 -2.967 1.00 0.00 C ATOM 139 CD2 LEU A 6 27.776 12.494 -2.875 1.00 0.00 C ATOM 0 H LEU A 6 27.675 12.471 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 6 27.274 15.358 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.779 14.754 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.339 14.926 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 6 28.999 12.238 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 6 30.365 11.728 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.100 13.006 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.252 13.430 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 6 27.914 11.470 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 6 27.706 13.162 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 6 26.859 12.558 -3.460 1.00 0.00 H new ATOM 151 N TYR A 7 28.605 15.918 -7.367 1.00 0.00 N ATOM 152 CA TYR A 7 29.398 16.307 -8.527 1.00 0.00 C ATOM 153 C TYR A 7 30.525 17.252 -8.124 1.00 0.00 C ATOM 154 O TYR A 7 30.283 18.383 -7.700 1.00 0.00 O ATOM 155 CB TYR A 7 28.510 16.974 -9.578 1.00 0.00 C ATOM 156 CG TYR A 7 27.493 16.039 -10.193 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.854 15.153 -11.200 1.00 0.00 C ATOM 158 CD2 TYR A 7 26.170 16.041 -9.766 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.928 14.297 -11.765 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.238 15.188 -10.324 1.00 0.00 C ATOM 161 CZ TYR A 7 25.621 14.319 -11.324 1.00 0.00 C ATOM 162 OH TYR A 7 24.696 13.467 -11.883 1.00 0.00 O ATOM 0 H TYR A 7 27.861 16.572 -7.126 1.00 0.00 H new ATOM 0 HA TYR A 7 29.839 15.405 -8.953 1.00 0.00 H new ATOM 0 HB2 TYR A 7 27.988 17.814 -9.120 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.140 17.382 -10.368 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.876 15.133 -11.547 1.00 0.00 H new ATOM 0 HD2 TYR A 7 25.866 16.721 -8.984 1.00 0.00 H new ATOM 0 HE1 TYR A 7 27.226 13.615 -12.547 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.215 15.201 -9.979 1.00 0.00 H new ATOM 0 HH TYR A 7 23.823 13.608 -11.460 1.00 0.00 H new ATOM 172 N THR A 8 31.761 16.781 -8.260 1.00 0.00 N ATOM 173 CA THR A 8 32.927 17.583 -7.910 1.00 0.00 C ATOM 174 C THR A 8 34.220 16.826 -8.194 1.00 0.00 C ATOM 175 O THR A 8 34.193 15.682 -8.649 1.00 0.00 O ATOM 176 CB THR A 8 32.902 17.993 -6.425 1.00 0.00 C ATOM 177 OG1 THR A 8 31.942 17.203 -5.715 1.00 0.00 O ATOM 178 CG2 THR A 8 32.562 19.468 -6.277 1.00 0.00 C ATOM 0 H THR A 8 31.980 15.848 -8.610 1.00 0.00 H new ATOM 0 HA THR A 8 32.890 18.480 -8.528 1.00 0.00 H new ATOM 0 HB THR A 8 33.894 17.821 -6.006 1.00 0.00 H new ATOM 0 HG1 THR A 8 31.933 17.469 -4.772 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.550 19.734 -5.220 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.311 20.068 -6.794 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.581 19.660 -6.711 1.00 0.00 H new ATOM 186 N ARG A 9 35.350 17.471 -7.922 1.00 0.00 N ATOM 187 CA ARG A 9 36.653 16.858 -8.149 1.00 0.00 C ATOM 188 C ARG A 9 37.098 16.059 -6.928 1.00 0.00 C ATOM 189 O ARG A 9 36.660 16.301 -5.803 1.00 0.00 O ATOM 190 CB ARG A 9 37.694 17.930 -8.478 1.00 0.00 C ATOM 191 CG ARG A 9 37.721 19.078 -7.483 1.00 0.00 C ATOM 192 CD ARG A 9 37.271 20.382 -8.124 1.00 0.00 C ATOM 193 NE ARG A 9 36.786 21.340 -7.134 1.00 0.00 N ATOM 194 CZ ARG A 9 36.277 22.526 -7.447 1.00 0.00 C ATOM 195 NH1 ARG A 9 36.187 22.898 -8.717 1.00 0.00 N ATOM 196 NH2 ARG A 9 35.856 23.343 -6.490 1.00 0.00 N ATOM 0 H ARG A 9 35.389 18.418 -7.544 1.00 0.00 H new ATOM 0 HA ARG A 9 36.564 16.176 -8.995 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.680 17.468 -8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.492 18.327 -9.473 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.073 18.844 -6.638 1.00 0.00 H new ATOM 0 HG3 ARG A 9 38.730 19.195 -7.088 1.00 0.00 H new ATOM 0 HD2 ARG A 9 38.103 20.821 -8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 9 36.482 20.177 -8.847 1.00 0.00 H new ATOM 0 HE ARG A 9 36.841 21.084 -6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 9 36.509 22.273 -9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 9 35.796 23.809 -8.955 1.00 0.00 H new ATOM 0 HH21 ARG A 9 35.923 23.060 -5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 9 35.465 24.254 -6.732 1.00 0.00 H new ATOM 210 N PRO A 10 37.989 15.082 -7.153 1.00 0.00 N ATOM 211 CA PRO A 10 38.513 14.227 -6.083 1.00 0.00 C ATOM 212 C PRO A 10 39.436 14.985 -5.135 1.00 0.00 C ATOM 213 O PRO A 10 39.841 14.462 -4.098 1.00 0.00 O ATOM 214 CB PRO A 10 39.293 13.149 -6.841 1.00 0.00 C ATOM 215 CG PRO A 10 39.675 13.792 -8.129 1.00 0.00 C ATOM 216 CD PRO A 10 38.555 14.737 -8.468 1.00 0.00 C ATOM 0 HA PRO A 10 37.718 13.832 -5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 10 40.173 12.830 -6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.682 12.262 -7.007 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.621 14.326 -8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.808 13.047 -8.913 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.919 15.620 -8.993 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.814 14.266 -9.113 1.00 0.00 H new ATOM 224 N ASN A 11 39.765 16.220 -5.498 1.00 0.00 N ATOM 225 CA ASN A 11 40.640 17.050 -4.679 1.00 0.00 C ATOM 226 C ASN A 11 39.828 18.011 -3.815 1.00 0.00 C ATOM 227 O ASN A 11 40.068 19.219 -3.817 1.00 0.00 O ATOM 228 CB ASN A 11 41.608 17.837 -5.565 1.00 0.00 C ATOM 229 CG ASN A 11 42.397 16.940 -6.499 1.00 0.00 C ATOM 230 OD1 ASN A 11 43.177 16.097 -6.056 1.00 0.00 O ATOM 231 ND2 ASN A 11 42.196 17.117 -7.800 1.00 0.00 N ATOM 0 H ASN A 11 39.439 16.668 -6.354 1.00 0.00 H new ATOM 0 HA ASN A 11 41.211 16.393 -4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 11 41.048 18.565 -6.152 1.00 0.00 H new ATOM 0 HB3 ASN A 11 42.298 18.398 -4.935 1.00 0.00 H new ATOM 0 HD21 ASN A 11 42.698 16.542 -8.476 1.00 0.00 H new ATOM 0 HD22 ASN A 11 41.540 17.828 -8.123 1.00 0.00 H new ATOM 238 N CYS A 12 38.867 17.466 -3.078 1.00 0.00 N ATOM 239 CA CYS A 12 38.018 18.273 -2.209 1.00 0.00 C ATOM 240 C CYS A 12 38.220 17.892 -0.745 1.00 0.00 C ATOM 241 O CYS A 12 37.621 16.943 -0.237 1.00 0.00 O ATOM 242 CB CYS A 12 36.548 18.101 -2.594 1.00 0.00 C ATOM 243 SG CYS A 12 36.025 16.366 -2.776 1.00 0.00 S ATOM 0 H CYS A 12 38.656 16.468 -3.065 1.00 0.00 H new ATOM 0 HA CYS A 12 38.300 19.318 -2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.927 18.579 -1.836 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.366 18.625 -3.532 1.00 0.00 H new ATOM 248 N PRO A 13 39.083 18.647 -0.050 1.00 0.00 N ATOM 249 CA PRO A 13 39.383 18.409 1.364 1.00 0.00 C ATOM 250 C PRO A 13 38.205 18.746 2.272 1.00 0.00 C ATOM 251 O PRO A 13 38.234 18.469 3.471 1.00 0.00 O ATOM 252 CB PRO A 13 40.559 19.349 1.641 1.00 0.00 C ATOM 253 CG PRO A 13 40.418 20.437 0.633 1.00 0.00 C ATOM 254 CD PRO A 13 39.832 19.793 -0.592 1.00 0.00 C ATOM 0 HA PRO A 13 39.603 17.360 1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 13 40.521 19.743 2.657 1.00 0.00 H new ATOM 0 HB3 PRO A 13 41.513 18.832 1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.770 21.231 1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 13 41.384 20.891 0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 13 39.181 20.479 -1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.608 19.473 -1.288 1.00 0.00 H new ATOM 262 N TYR A 14 37.171 19.346 1.693 1.00 0.00 N ATOM 263 CA TYR A 14 35.984 19.723 2.450 1.00 0.00 C ATOM 264 C TYR A 14 34.872 18.694 2.269 1.00 0.00 C ATOM 265 O TYR A 14 33.876 18.705 2.992 1.00 0.00 O ATOM 266 CB TYR A 14 35.492 21.104 2.013 1.00 0.00 C ATOM 267 CG TYR A 14 36.339 22.242 2.535 1.00 0.00 C ATOM 268 CD1 TYR A 14 36.351 22.563 3.887 1.00 0.00 C ATOM 269 CD2 TYR A 14 37.129 22.997 1.677 1.00 0.00 C ATOM 270 CE1 TYR A 14 37.123 23.602 4.368 1.00 0.00 C ATOM 271 CE2 TYR A 14 37.906 24.037 2.149 1.00 0.00 C ATOM 272 CZ TYR A 14 37.899 24.336 3.496 1.00 0.00 C ATOM 273 OH TYR A 14 38.670 25.371 3.971 1.00 0.00 O ATOM 0 H TYR A 14 37.131 19.582 0.701 1.00 0.00 H new ATOM 0 HA TYR A 14 36.254 19.758 3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.474 21.146 0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 14 34.466 21.240 2.355 1.00 0.00 H new ATOM 0 HD1 TYR A 14 35.746 21.990 4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 14 37.136 22.767 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 14 37.119 23.838 5.422 1.00 0.00 H new ATOM 0 HE2 TYR A 14 38.515 24.613 1.468 1.00 0.00 H new ATOM 0 HH TYR A 14 39.157 25.784 3.228 1.00 0.00 H new ATOM 283 N CYS A 15 35.052 17.804 1.299 1.00 0.00 N ATOM 284 CA CYS A 15 34.066 16.766 1.021 1.00 0.00 C ATOM 285 C CYS A 15 33.752 15.963 2.279 1.00 0.00 C ATOM 286 O CYS A 15 32.681 15.368 2.398 1.00 0.00 O ATOM 287 CB CYS A 15 34.574 15.833 -0.080 1.00 0.00 C ATOM 288 SG CYS A 15 34.168 16.384 -1.768 1.00 0.00 S ATOM 0 H CYS A 15 35.871 17.781 0.692 1.00 0.00 H new ATOM 0 HA CYS A 15 33.150 17.251 0.683 1.00 0.00 H new ATOM 0 HB2 CYS A 15 35.656 15.739 0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 15 34.153 14.840 0.077 1.00 0.00 H new ATOM 293 N LYS A 16 34.693 15.951 3.217 1.00 0.00 N ATOM 294 CA LYS A 16 34.518 15.223 4.468 1.00 0.00 C ATOM 295 C LYS A 16 33.168 15.545 5.101 1.00 0.00 C ATOM 296 O LYS A 16 32.501 14.665 5.644 1.00 0.00 O ATOM 297 CB LYS A 16 35.646 15.566 5.444 1.00 0.00 C ATOM 298 CG LYS A 16 35.670 17.028 5.856 1.00 0.00 C ATOM 299 CD LYS A 16 37.052 17.454 6.322 1.00 0.00 C ATOM 300 CE LYS A 16 37.452 16.740 7.605 1.00 0.00 C ATOM 301 NZ LYS A 16 38.825 17.113 8.042 1.00 0.00 N ATOM 0 H LYS A 16 35.586 16.438 3.134 1.00 0.00 H new ATOM 0 HA LYS A 16 34.550 14.156 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.544 14.947 6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 16 36.602 15.310 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 16 35.361 17.649 5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 16 34.948 17.193 6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 16 37.782 17.239 5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 16 37.066 18.532 6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 16 36.741 16.985 8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 16 37.400 15.662 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 39.060 16.606 8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.507 16.856 7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 38.869 18.138 8.213 1.00 0.00 H new ATOM 315 N ARG A 17 32.772 16.811 5.026 1.00 0.00 N ATOM 316 CA ARG A 17 31.501 17.249 5.591 1.00 0.00 C ATOM 317 C ARG A 17 30.332 16.542 4.913 1.00 0.00 C ATOM 318 O ARG A 17 29.498 15.925 5.575 1.00 0.00 O ATOM 319 CB ARG A 17 31.349 18.764 5.445 1.00 0.00 C ATOM 320 CG ARG A 17 32.288 19.560 6.338 1.00 0.00 C ATOM 321 CD ARG A 17 31.847 21.010 6.457 1.00 0.00 C ATOM 322 NE ARG A 17 32.972 21.904 6.721 1.00 0.00 N ATOM 323 CZ ARG A 17 33.618 21.948 7.881 1.00 0.00 C ATOM 324 NH1 ARG A 17 33.254 21.153 8.877 1.00 0.00 N ATOM 325 NH2 ARG A 17 34.632 22.788 8.045 1.00 0.00 N ATOM 0 H ARG A 17 33.313 17.552 4.580 1.00 0.00 H new ATOM 0 HA ARG A 17 31.494 16.990 6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.529 19.040 4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.320 19.041 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 17 32.322 19.106 7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 17 33.299 19.518 5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 17 31.350 21.315 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 17 31.115 21.102 7.259 1.00 0.00 H new ATOM 0 HE ARG A 17 33.278 22.528 5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 17 32.476 20.505 8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 17 33.752 21.189 9.766 1.00 0.00 H new ATOM 0 HH21 ARG A 17 34.916 23.400 7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 17 35.128 22.821 8.936 1.00 0.00 H new ATOM 339 N ALA A 18 30.277 16.637 3.588 1.00 0.00 N ATOM 340 CA ALA A 18 29.211 16.006 2.821 1.00 0.00 C ATOM 341 C ALA A 18 29.174 14.501 3.067 1.00 0.00 C ATOM 342 O ALA A 18 28.159 13.959 3.503 1.00 0.00 O ATOM 343 CB ALA A 18 29.386 16.296 1.337 1.00 0.00 C ATOM 0 H ALA A 18 30.959 17.145 3.024 1.00 0.00 H new ATOM 0 HA ALA A 18 28.261 16.425 3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.583 15.819 0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 18 29.355 17.373 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 18 30.346 15.905 1.001 1.00 0.00 H new ATOM 349 N ARG A 19 30.287 13.833 2.783 1.00 0.00 N ATOM 350 CA ARG A 19 30.381 12.390 2.972 1.00 0.00 C ATOM 351 C ARG A 19 30.010 12.004 4.401 1.00 0.00 C ATOM 352 O ARG A 19 29.473 10.922 4.642 1.00 0.00 O ATOM 353 CB ARG A 19 31.796 11.903 2.653 1.00 0.00 C ATOM 354 CG ARG A 19 32.815 12.246 3.727 1.00 0.00 C ATOM 355 CD ARG A 19 34.206 11.759 3.351 1.00 0.00 C ATOM 356 NE ARG A 19 35.023 11.475 4.527 1.00 0.00 N ATOM 357 CZ ARG A 19 36.226 10.915 4.469 1.00 0.00 C ATOM 358 NH1 ARG A 19 36.749 10.580 3.297 1.00 0.00 N ATOM 359 NH2 ARG A 19 36.909 10.688 5.584 1.00 0.00 N ATOM 0 H ARG A 19 31.136 14.267 2.421 1.00 0.00 H new ATOM 0 HA ARG A 19 29.677 11.913 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.776 10.822 2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.117 12.340 1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.835 13.325 3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.514 11.796 4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.123 10.859 2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.701 12.513 2.739 1.00 0.00 H new ATOM 0 HE ARG A 19 34.649 11.720 5.444 1.00 0.00 H new ATOM 0 HH11 ARG A 19 36.227 10.752 2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 19 37.673 10.150 3.255 1.00 0.00 H new ATOM 0 HH21 ARG A 19 36.510 10.944 6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 19 37.833 10.258 5.538 1.00 0.00 H new ATOM 373 N ASP A 20 30.299 12.894 5.343 1.00 0.00 N ATOM 374 CA ASP A 20 29.995 12.647 6.748 1.00 0.00 C ATOM 375 C ASP A 20 28.489 12.647 6.986 1.00 0.00 C ATOM 376 O ASP A 20 27.961 11.788 7.694 1.00 0.00 O ATOM 377 CB ASP A 20 30.664 13.703 7.630 1.00 0.00 C ATOM 378 CG ASP A 20 30.291 13.556 9.092 1.00 0.00 C ATOM 379 OD1 ASP A 20 30.874 12.683 9.768 1.00 0.00 O ATOM 380 OD2 ASP A 20 29.416 14.314 9.560 1.00 0.00 O ATOM 0 H ASP A 20 30.744 13.794 5.160 1.00 0.00 H new ATOM 0 HA ASP A 20 30.386 11.664 7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 20 31.746 13.628 7.525 1.00 0.00 H new ATOM 0 HB3 ASP A 20 30.378 14.696 7.283 1.00 0.00 H new ATOM 385 N LEU A 21 27.801 13.616 6.392 1.00 0.00 N ATOM 386 CA LEU A 21 26.354 13.730 6.540 1.00 0.00 C ATOM 387 C LEU A 21 25.652 12.491 5.992 1.00 0.00 C ATOM 388 O LEU A 21 24.852 11.861 6.685 1.00 0.00 O ATOM 389 CB LEU A 21 25.845 14.979 5.819 1.00 0.00 C ATOM 390 CG LEU A 21 24.417 15.412 6.155 1.00 0.00 C ATOM 391 CD1 LEU A 21 24.269 16.919 6.013 1.00 0.00 C ATOM 392 CD2 LEU A 21 23.417 14.690 5.265 1.00 0.00 C ATOM 0 H LEU A 21 28.222 14.334 5.803 1.00 0.00 H new ATOM 0 HA LEU A 21 26.127 13.814 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 21 26.517 15.806 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 21 25.908 14.805 4.745 1.00 0.00 H new ATOM 0 HG LEU A 21 24.211 15.143 7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 21 23.247 17.209 6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.959 17.418 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 21 24.495 17.212 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 21 22.407 15.011 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 21 23.622 14.927 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 21 23.505 13.614 5.417 1.00 0.00 H new ATOM 404 N LEU A 22 25.958 12.146 4.746 1.00 0.00 N ATOM 405 CA LEU A 22 25.358 10.981 4.106 1.00 0.00 C ATOM 406 C LEU A 22 25.722 9.702 4.852 1.00 0.00 C ATOM 407 O LEU A 22 24.850 8.907 5.204 1.00 0.00 O ATOM 408 CB LEU A 22 25.816 10.883 2.649 1.00 0.00 C ATOM 409 CG LEU A 22 25.918 12.205 1.888 1.00 0.00 C ATOM 410 CD1 LEU A 22 26.344 11.960 0.448 1.00 0.00 C ATOM 411 CD2 LEU A 22 24.592 12.951 1.934 1.00 0.00 C ATOM 0 H LEU A 22 26.618 12.656 4.159 1.00 0.00 H new ATOM 0 HA LEU A 22 24.275 11.100 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 22 26.792 10.398 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.125 10.231 2.115 1.00 0.00 H new ATOM 0 HG LEU A 22 26.676 12.822 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.411 12.912 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 22 27.317 11.468 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 22 25.609 11.324 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 22 24.683 13.890 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 22 23.814 12.339 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 22 24.328 13.159 2.971 1.00 0.00 H new ATOM 423 N ASP A 23 27.015 9.510 5.092 1.00 0.00 N ATOM 424 CA ASP A 23 27.494 8.329 5.800 1.00 0.00 C ATOM 425 C ASP A 23 26.853 8.225 7.181 1.00 0.00 C ATOM 426 O ASP A 23 26.517 7.134 7.641 1.00 0.00 O ATOM 427 CB ASP A 23 29.017 8.371 5.933 1.00 0.00 C ATOM 428 CG ASP A 23 29.555 7.245 6.794 1.00 0.00 C ATOM 429 OD1 ASP A 23 29.409 6.071 6.393 1.00 0.00 O ATOM 430 OD2 ASP A 23 30.120 7.537 7.869 1.00 0.00 O ATOM 0 H ASP A 23 27.750 10.157 4.806 1.00 0.00 H new ATOM 0 HA ASP A 23 27.211 7.450 5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.467 8.313 4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 23 29.315 9.327 6.363 1.00 0.00 H new ATOM 435 N LYS A 24 26.688 9.368 7.838 1.00 0.00 N ATOM 436 CA LYS A 24 26.088 9.408 9.166 1.00 0.00 C ATOM 437 C LYS A 24 24.634 8.951 9.120 1.00 0.00 C ATOM 438 O LYS A 24 24.163 8.249 10.016 1.00 0.00 O ATOM 439 CB LYS A 24 26.171 10.823 9.744 1.00 0.00 C ATOM 440 CG LYS A 24 27.479 11.112 10.459 1.00 0.00 C ATOM 441 CD LYS A 24 27.551 10.400 11.800 1.00 0.00 C ATOM 442 CE LYS A 24 26.903 11.223 12.903 1.00 0.00 C ATOM 443 NZ LYS A 24 25.432 11.003 12.967 1.00 0.00 N ATOM 0 H LYS A 24 26.962 10.280 7.472 1.00 0.00 H new ATOM 0 HA LYS A 24 26.645 8.726 9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 24 26.041 11.544 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.346 10.971 10.440 1.00 0.00 H new ATOM 0 HG2 LYS A 24 28.314 10.797 9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 24 27.582 12.186 10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.054 9.433 11.727 1.00 0.00 H new ATOM 0 HD3 LYS A 24 28.593 10.205 12.054 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.351 10.962 13.862 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.105 12.281 12.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 25.115 11.061 13.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 24.947 11.731 12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 25.205 10.063 12.585 1.00 0.00 H new ATOM 457 N LYS A 25 23.926 9.352 8.069 1.00 0.00 N ATOM 458 CA LYS A 25 22.525 8.981 7.904 1.00 0.00 C ATOM 459 C LYS A 25 22.390 7.500 7.565 1.00 0.00 C ATOM 460 O LYS A 25 21.418 6.852 7.950 1.00 0.00 O ATOM 461 CB LYS A 25 21.879 9.827 6.804 1.00 0.00 C ATOM 462 CG LYS A 25 21.073 11.000 7.333 1.00 0.00 C ATOM 463 CD LYS A 25 21.913 11.896 8.228 1.00 0.00 C ATOM 464 CE LYS A 25 21.481 11.794 9.683 1.00 0.00 C ATOM 465 NZ LYS A 25 21.965 12.950 10.488 1.00 0.00 N ATOM 0 H LYS A 25 24.299 9.934 7.319 1.00 0.00 H new ATOM 0 HA LYS A 25 22.012 9.168 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 25 22.659 10.202 6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.228 9.191 6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.684 11.581 6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.213 10.630 7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 25 22.963 11.619 8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.827 12.930 7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.393 11.744 9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.864 10.868 10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.363 13.065 11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.946 12.779 10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 21.925 13.815 9.912 1.00 0.00 H new ATOM 479 N GLY A 26 23.374 6.970 6.845 1.00 0.00 N ATOM 480 CA GLY A 26 23.346 5.569 6.468 1.00 0.00 C ATOM 481 C GLY A 26 22.748 5.350 5.093 1.00 0.00 C ATOM 482 O GLY A 26 21.918 4.461 4.903 1.00 0.00 O ATOM 0 H GLY A 26 24.190 7.486 6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.360 5.171 6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.770 5.009 7.205 1.00 0.00 H new ATOM 486 N VAL A 27 23.169 6.163 4.130 1.00 0.00 N ATOM 487 CA VAL A 27 22.669 6.055 2.764 1.00 0.00 C ATOM 488 C VAL A 27 23.804 5.774 1.785 1.00 0.00 C ATOM 489 O VAL A 27 24.974 5.737 2.166 1.00 0.00 O ATOM 490 CB VAL A 27 21.937 7.339 2.331 1.00 0.00 C ATOM 491 CG1 VAL A 27 20.484 7.301 2.777 1.00 0.00 C ATOM 492 CG2 VAL A 27 22.642 8.567 2.886 1.00 0.00 C ATOM 0 H VAL A 27 23.856 6.904 4.270 1.00 0.00 H new ATOM 0 HA VAL A 27 21.965 5.223 2.749 1.00 0.00 H new ATOM 0 HB VAL A 27 21.957 7.398 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.983 8.216 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 27 19.987 6.442 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.439 7.218 3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.111 9.465 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 27 22.656 8.518 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.665 8.600 2.511 1.00 0.00 H new ATOM 502 N LYS A 28 23.450 5.578 0.519 1.00 0.00 N ATOM 503 CA LYS A 28 24.437 5.303 -0.518 1.00 0.00 C ATOM 504 C LYS A 28 24.627 6.515 -1.424 1.00 0.00 C ATOM 505 O LYS A 28 23.711 6.913 -2.145 1.00 0.00 O ATOM 506 CB LYS A 28 24.008 4.092 -1.350 1.00 0.00 C ATOM 507 CG LYS A 28 24.580 2.777 -0.851 1.00 0.00 C ATOM 508 CD LYS A 28 25.957 2.510 -1.435 1.00 0.00 C ATOM 509 CE LYS A 28 26.571 1.243 -0.858 1.00 0.00 C ATOM 510 NZ LYS A 28 27.950 1.013 -1.370 1.00 0.00 N ATOM 0 H LYS A 28 22.486 5.605 0.187 1.00 0.00 H new ATOM 0 HA LYS A 28 25.387 5.084 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 28 22.920 4.029 -1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.318 4.244 -2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 28 24.643 2.796 0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 28 23.907 1.962 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 28 25.882 2.419 -2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 28 26.611 3.358 -1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 28 26.594 1.313 0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 28 25.943 0.388 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 28.334 0.141 -0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 27.925 0.921 -2.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 28.556 1.817 -1.109 1.00 0.00 H new ATOM 524 N TYR A 29 25.820 7.097 -1.384 1.00 0.00 N ATOM 525 CA TYR A 29 26.129 8.264 -2.201 1.00 0.00 C ATOM 526 C TYR A 29 27.060 7.893 -3.351 1.00 0.00 C ATOM 527 O TYR A 29 27.908 7.010 -3.221 1.00 0.00 O ATOM 528 CB TYR A 29 26.771 9.357 -1.344 1.00 0.00 C ATOM 529 CG TYR A 29 28.145 8.994 -0.829 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.276 9.193 -1.611 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.313 8.454 0.440 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.534 8.863 -1.145 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.567 8.121 0.914 1.00 0.00 C ATOM 534 CZ TYR A 29 30.674 8.327 0.118 1.00 0.00 C ATOM 535 OH TYR A 29 31.926 7.998 0.587 1.00 0.00 O ATOM 0 H TYR A 29 26.589 6.780 -0.794 1.00 0.00 H new ATOM 0 HA TYR A 29 25.195 8.640 -2.620 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.843 10.272 -1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.120 9.572 -0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.170 9.613 -2.600 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.448 8.292 1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.403 9.024 -1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 29 29.680 7.702 1.903 1.00 0.00 H new ATOM 0 HH TYR A 29 31.850 7.634 1.494 1.00 0.00 H new ATOM 545 N THR A 30 26.895 8.575 -4.481 1.00 0.00 N ATOM 546 CA THR A 30 27.718 8.318 -5.656 1.00 0.00 C ATOM 547 C THR A 30 28.566 9.535 -6.009 1.00 0.00 C ATOM 548 O THR A 30 28.038 10.598 -6.335 1.00 0.00 O ATOM 549 CB THR A 30 26.856 7.936 -6.873 1.00 0.00 C ATOM 550 OG1 THR A 30 26.183 6.696 -6.628 1.00 0.00 O ATOM 551 CG2 THR A 30 27.711 7.816 -8.126 1.00 0.00 C ATOM 0 H THR A 30 26.199 9.310 -4.607 1.00 0.00 H new ATOM 0 HA THR A 30 28.372 7.482 -5.408 1.00 0.00 H new ATOM 0 HB THR A 30 26.119 8.724 -7.029 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.636 6.461 -7.406 1.00 0.00 H new ATOM 0 HG21 THR A 30 27.080 7.545 -8.973 1.00 0.00 H new ATOM 0 HG22 THR A 30 28.198 8.770 -8.327 1.00 0.00 H new ATOM 0 HG23 THR A 30 28.468 7.046 -7.977 1.00 0.00 H new ATOM 559 N ASP A 31 29.883 9.371 -5.944 1.00 0.00 N ATOM 560 CA ASP A 31 30.805 10.456 -6.260 1.00 0.00 C ATOM 561 C ASP A 31 31.023 10.563 -7.766 1.00 0.00 C ATOM 562 O ASP A 31 31.247 9.559 -8.443 1.00 0.00 O ATOM 563 CB ASP A 31 32.143 10.238 -5.552 1.00 0.00 C ATOM 564 CG ASP A 31 33.216 11.195 -6.036 1.00 0.00 C ATOM 565 OD1 ASP A 31 32.882 12.362 -6.326 1.00 0.00 O ATOM 566 OD2 ASP A 31 34.389 10.775 -6.125 1.00 0.00 O ATOM 0 H ASP A 31 30.336 8.497 -5.675 1.00 0.00 H new ATOM 0 HA ASP A 31 30.364 11.389 -5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.007 10.362 -4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.474 9.212 -5.715 1.00 0.00 H new ATOM 571 N ILE A 32 30.954 11.785 -8.283 1.00 0.00 N ATOM 572 CA ILE A 32 31.144 12.023 -9.708 1.00 0.00 C ATOM 573 C ILE A 32 32.334 12.943 -9.959 1.00 0.00 C ATOM 574 O ILE A 32 32.362 14.080 -9.488 1.00 0.00 O ATOM 575 CB ILE A 32 29.887 12.642 -10.348 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.676 11.732 -10.129 1.00 0.00 C ATOM 577 CG2 ILE A 32 30.113 12.883 -11.833 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.769 10.413 -10.864 1.00 0.00 C ATOM 0 H ILE A 32 30.768 12.626 -7.736 1.00 0.00 H new ATOM 0 HA ILE A 32 31.335 11.053 -10.167 1.00 0.00 H new ATOM 0 HB ILE A 32 29.689 13.601 -9.870 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.567 11.537 -9.062 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.776 12.255 -10.451 1.00 0.00 H new ATOM 0 HG21 ILE A 32 29.216 13.321 -12.271 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.952 13.565 -11.967 1.00 0.00 H new ATOM 0 HG23 ILE A 32 30.333 11.936 -12.326 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.877 9.820 -10.662 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.847 10.598 -11.935 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.650 9.869 -10.525 1.00 0.00 H new ATOM 590 N ASP A 33 33.313 12.444 -10.704 1.00 0.00 N ATOM 591 CA ASP A 33 34.506 13.222 -11.020 1.00 0.00 C ATOM 592 C ASP A 33 34.130 14.566 -11.636 1.00 0.00 C ATOM 593 O ASP A 33 33.167 14.664 -12.396 1.00 0.00 O ATOM 594 CB ASP A 33 35.410 12.443 -11.978 1.00 0.00 C ATOM 595 CG ASP A 33 36.244 11.398 -11.264 1.00 0.00 C ATOM 596 OD1 ASP A 33 36.753 11.696 -10.164 1.00 0.00 O ATOM 597 OD2 ASP A 33 36.389 10.282 -11.807 1.00 0.00 O ATOM 0 H ASP A 33 33.305 11.504 -11.101 1.00 0.00 H new ATOM 0 HA ASP A 33 35.047 13.406 -10.092 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.797 11.958 -12.738 1.00 0.00 H new ATOM 0 HB3 ASP A 33 36.070 13.138 -12.497 1.00 0.00 H new ATOM 602 N ALA A 34 34.896 15.599 -11.301 1.00 0.00 N ATOM 603 CA ALA A 34 34.644 16.937 -11.822 1.00 0.00 C ATOM 604 C ALA A 34 34.708 16.955 -13.345 1.00 0.00 C ATOM 605 O ALA A 34 34.198 17.873 -13.987 1.00 0.00 O ATOM 606 CB ALA A 34 35.641 17.927 -11.238 1.00 0.00 C ATOM 0 H ALA A 34 35.696 15.535 -10.671 1.00 0.00 H new ATOM 0 HA ALA A 34 33.638 17.232 -11.524 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.441 18.922 -11.636 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.544 17.944 -10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.653 17.625 -11.507 1.00 0.00 H new ATOM 612 N SER A 35 35.339 15.935 -13.918 1.00 0.00 N ATOM 613 CA SER A 35 35.474 15.836 -15.366 1.00 0.00 C ATOM 614 C SER A 35 34.125 16.027 -16.052 1.00 0.00 C ATOM 615 O SER A 35 33.281 15.130 -16.050 1.00 0.00 O ATOM 616 CB SER A 35 36.068 14.480 -15.753 1.00 0.00 C ATOM 617 OG SER A 35 36.766 14.561 -16.984 1.00 0.00 O ATOM 0 H SER A 35 35.765 15.166 -13.401 1.00 0.00 H new ATOM 0 HA SER A 35 36.146 16.627 -15.698 1.00 0.00 H new ATOM 0 HB2 SER A 35 36.745 14.139 -14.969 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.272 13.740 -15.831 1.00 0.00 H new ATOM 0 HG SER A 35 37.137 13.682 -17.208 1.00 0.00 H new ATOM 623 N THR A 36 33.927 17.203 -16.640 1.00 0.00 N ATOM 624 CA THR A 36 32.681 17.513 -17.329 1.00 0.00 C ATOM 625 C THR A 36 32.336 16.438 -18.352 1.00 0.00 C ATOM 626 O THR A 36 31.166 16.219 -18.666 1.00 0.00 O ATOM 627 CB THR A 36 32.758 18.877 -18.040 1.00 0.00 C ATOM 628 OG1 THR A 36 33.759 18.841 -19.063 1.00 0.00 O ATOM 629 CG2 THR A 36 33.077 19.987 -17.050 1.00 0.00 C ATOM 0 H THR A 36 34.614 17.956 -16.653 1.00 0.00 H new ATOM 0 HA THR A 36 31.900 17.551 -16.569 1.00 0.00 H new ATOM 0 HB THR A 36 31.787 19.082 -18.490 1.00 0.00 H new ATOM 0 HG1 THR A 36 33.800 19.712 -19.511 1.00 0.00 H new ATOM 0 HG21 THR A 36 33.126 20.941 -17.576 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.297 20.032 -16.290 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.037 19.785 -16.574 1.00 0.00 H new ATOM 637 N SER A 37 33.361 15.768 -18.869 1.00 0.00 N ATOM 638 CA SER A 37 33.166 14.717 -19.860 1.00 0.00 C ATOM 639 C SER A 37 32.122 13.710 -19.385 1.00 0.00 C ATOM 640 O SER A 37 31.407 13.112 -20.191 1.00 0.00 O ATOM 641 CB SER A 37 34.488 14.002 -20.144 1.00 0.00 C ATOM 642 OG SER A 37 34.264 12.697 -20.649 1.00 0.00 O ATOM 0 H SER A 37 34.335 15.935 -18.618 1.00 0.00 H new ATOM 0 HA SER A 37 32.808 15.181 -20.779 1.00 0.00 H new ATOM 0 HB2 SER A 37 35.070 14.579 -20.863 1.00 0.00 H new ATOM 0 HB3 SER A 37 35.078 13.945 -19.229 1.00 0.00 H new ATOM 0 HG SER A 37 35.124 12.262 -20.824 1.00 0.00 H new ATOM 648 N LEU A 38 32.040 13.527 -18.072 1.00 0.00 N ATOM 649 CA LEU A 38 31.084 12.593 -17.487 1.00 0.00 C ATOM 650 C LEU A 38 30.129 13.313 -16.540 1.00 0.00 C ATOM 651 O LEU A 38 28.957 12.952 -16.433 1.00 0.00 O ATOM 652 CB LEU A 38 31.821 11.481 -16.739 1.00 0.00 C ATOM 653 CG LEU A 38 32.200 10.252 -17.567 1.00 0.00 C ATOM 654 CD1 LEU A 38 33.146 9.354 -16.786 1.00 0.00 C ATOM 655 CD2 LEU A 38 30.954 9.484 -17.982 1.00 0.00 C ATOM 0 H LEU A 38 32.624 14.013 -17.392 1.00 0.00 H new ATOM 0 HA LEU A 38 30.501 12.153 -18.296 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.731 11.900 -16.310 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.197 11.155 -15.907 1.00 0.00 H new ATOM 0 HG LEU A 38 32.712 10.588 -18.468 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.405 8.485 -17.391 1.00 0.00 H new ATOM 0 HD12 LEU A 38 34.052 9.907 -16.539 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.660 9.025 -15.867 1.00 0.00 H new ATOM 0 HD21 LEU A 38 31.243 8.613 -18.570 1.00 0.00 H new ATOM 0 HD22 LEU A 38 30.414 9.159 -17.093 1.00 0.00 H new ATOM 0 HD23 LEU A 38 30.311 10.129 -18.581 1.00 0.00 H new ATOM 667 N ARG A 39 30.638 14.333 -15.858 1.00 0.00 N ATOM 668 CA ARG A 39 29.830 15.104 -14.920 1.00 0.00 C ATOM 669 C ARG A 39 28.744 15.885 -15.654 1.00 0.00 C ATOM 670 O ARG A 39 27.576 15.853 -15.268 1.00 0.00 O ATOM 671 CB ARG A 39 30.714 16.065 -14.123 1.00 0.00 C ATOM 672 CG ARG A 39 29.933 17.140 -13.385 1.00 0.00 C ATOM 673 CD ARG A 39 30.784 17.816 -12.322 1.00 0.00 C ATOM 674 NE ARG A 39 31.823 18.660 -12.907 1.00 0.00 N ATOM 675 CZ ARG A 39 31.573 19.801 -13.539 1.00 0.00 C ATOM 676 NH1 ARG A 39 30.325 20.233 -13.667 1.00 0.00 N ATOM 677 NH2 ARG A 39 32.571 20.514 -14.045 1.00 0.00 N ATOM 0 H ARG A 39 31.606 14.645 -15.937 1.00 0.00 H new ATOM 0 HA ARG A 39 29.351 14.407 -14.232 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.300 15.494 -13.403 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.421 16.542 -14.801 1.00 0.00 H new ATOM 0 HG2 ARG A 39 29.577 17.886 -14.096 1.00 0.00 H new ATOM 0 HG3 ARG A 39 29.052 16.697 -12.920 1.00 0.00 H new ATOM 0 HD2 ARG A 39 30.146 18.421 -11.678 1.00 0.00 H new ATOM 0 HD3 ARG A 39 31.246 17.057 -11.691 1.00 0.00 H new ATOM 0 HE ARG A 39 32.793 18.356 -12.826 1.00 0.00 H new ATOM 0 HH11 ARG A 39 29.555 19.688 -13.279 1.00 0.00 H new ATOM 0 HH12 ARG A 39 30.136 21.110 -14.153 1.00 0.00 H new ATOM 0 HH21 ARG A 39 33.532 20.186 -13.949 1.00 0.00 H new ATOM 0 HH22 ARG A 39 32.377 21.390 -14.530 1.00 0.00 H new ATOM 691 N GLN A 40 29.139 16.586 -16.712 1.00 0.00 N ATOM 692 CA GLN A 40 28.199 17.376 -17.498 1.00 0.00 C ATOM 693 C GLN A 40 27.095 16.495 -18.074 1.00 0.00 C ATOM 694 O GLN A 40 25.924 16.875 -18.078 1.00 0.00 O ATOM 695 CB GLN A 40 28.930 18.102 -18.629 1.00 0.00 C ATOM 696 CG GLN A 40 28.124 19.232 -19.248 1.00 0.00 C ATOM 697 CD GLN A 40 28.783 19.809 -20.486 1.00 0.00 C ATOM 698 OE1 GLN A 40 29.953 19.541 -20.762 1.00 0.00 O ATOM 699 NE2 GLN A 40 28.034 20.605 -21.240 1.00 0.00 N ATOM 0 H GLN A 40 30.103 16.623 -17.044 1.00 0.00 H new ATOM 0 HA GLN A 40 27.743 18.113 -16.837 1.00 0.00 H new ATOM 0 HB2 GLN A 40 29.868 18.504 -18.245 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.186 17.382 -19.406 1.00 0.00 H new ATOM 0 HG2 GLN A 40 27.131 18.865 -19.507 1.00 0.00 H new ATOM 0 HG3 GLN A 40 27.989 20.023 -18.511 1.00 0.00 H new ATOM 0 HE21 GLN A 40 27.069 20.800 -20.974 1.00 0.00 H new ATOM 0 HE22 GLN A 40 28.424 21.021 -22.086 1.00 0.00 H new ATOM 708 N GLU A 41 27.477 15.318 -18.559 1.00 0.00 N ATOM 709 CA GLU A 41 26.518 14.384 -19.138 1.00 0.00 C ATOM 710 C GLU A 41 25.555 13.864 -18.075 1.00 0.00 C ATOM 711 O GLU A 41 24.344 13.814 -18.290 1.00 0.00 O ATOM 712 CB GLU A 41 27.249 13.212 -19.797 1.00 0.00 C ATOM 713 CG GLU A 41 28.484 13.627 -20.579 1.00 0.00 C ATOM 714 CD GLU A 41 28.989 12.530 -21.496 1.00 0.00 C ATOM 715 OE1 GLU A 41 28.633 11.355 -21.267 1.00 0.00 O ATOM 716 OE2 GLU A 41 29.741 12.846 -22.442 1.00 0.00 O ATOM 0 H GLU A 41 28.442 14.989 -18.563 1.00 0.00 H new ATOM 0 HA GLU A 41 25.942 14.916 -19.895 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.540 12.497 -19.027 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.561 12.696 -20.467 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.254 14.513 -21.171 1.00 0.00 H new ATOM 0 HG3 GLU A 41 29.274 13.905 -19.882 1.00 0.00 H new ATOM 723 N MET A 42 26.102 13.477 -16.927 1.00 0.00 N ATOM 724 CA MET A 42 25.292 12.961 -15.830 1.00 0.00 C ATOM 725 C MET A 42 24.354 14.038 -15.294 1.00 0.00 C ATOM 726 O MET A 42 23.147 13.823 -15.179 1.00 0.00 O ATOM 727 CB MET A 42 26.189 12.444 -14.704 1.00 0.00 C ATOM 728 CG MET A 42 26.189 10.929 -14.574 1.00 0.00 C ATOM 729 SD MET A 42 27.405 10.140 -15.646 1.00 0.00 S ATOM 730 CE MET A 42 28.862 10.199 -14.606 1.00 0.00 C ATOM 0 H MET A 42 27.103 13.511 -16.733 1.00 0.00 H new ATOM 0 HA MET A 42 24.690 12.137 -16.213 1.00 0.00 H new ATOM 0 HB2 MET A 42 27.209 12.786 -14.878 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.863 12.881 -13.761 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.393 10.657 -13.538 1.00 0.00 H new ATOM 0 HG3 MET A 42 25.197 10.548 -14.814 1.00 0.00 H new ATOM 0 HE1 MET A 42 29.722 9.828 -15.163 1.00 0.00 H new ATOM 0 HE2 MET A 42 29.046 11.228 -14.296 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.705 9.577 -13.725 1.00 0.00 H new ATOM 740 N VAL A 43 24.916 15.197 -14.967 1.00 0.00 N ATOM 741 CA VAL A 43 24.129 16.308 -14.444 1.00 0.00 C ATOM 742 C VAL A 43 23.086 16.767 -15.457 1.00 0.00 C ATOM 743 O VAL A 43 22.009 17.233 -15.085 1.00 0.00 O ATOM 744 CB VAL A 43 25.025 17.503 -14.069 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.564 18.180 -15.319 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.259 18.492 -13.204 1.00 0.00 C ATOM 0 H VAL A 43 25.913 15.391 -15.055 1.00 0.00 H new ATOM 0 HA VAL A 43 23.626 15.945 -13.548 1.00 0.00 H new ATOM 0 HB VAL A 43 25.873 17.132 -13.493 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.195 19.022 -15.034 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.152 17.465 -15.895 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.733 18.539 -15.926 1.00 0.00 H new ATOM 0 HG21 VAL A 43 24.907 19.330 -12.948 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.391 18.859 -13.752 1.00 0.00 H new ATOM 0 HG23 VAL A 43 23.929 17.997 -12.291 1.00 0.00 H new ATOM 756 N GLN A 44 23.414 16.633 -16.738 1.00 0.00 N ATOM 757 CA GLN A 44 22.505 17.035 -17.805 1.00 0.00 C ATOM 758 C GLN A 44 21.300 16.103 -17.873 1.00 0.00 C ATOM 759 O GLN A 44 20.156 16.554 -17.931 1.00 0.00 O ATOM 760 CB GLN A 44 23.235 17.045 -19.149 1.00 0.00 C ATOM 761 CG GLN A 44 23.896 18.375 -19.473 1.00 0.00 C ATOM 762 CD GLN A 44 23.265 19.065 -20.666 1.00 0.00 C ATOM 763 OE1 GLN A 44 22.857 20.224 -20.583 1.00 0.00 O ATOM 764 NE2 GLN A 44 23.182 18.355 -21.785 1.00 0.00 N ATOM 0 H GLN A 44 24.302 16.249 -17.062 1.00 0.00 H new ATOM 0 HA GLN A 44 22.150 18.042 -17.586 1.00 0.00 H new ATOM 0 HB2 GLN A 44 23.994 16.263 -19.146 1.00 0.00 H new ATOM 0 HB3 GLN A 44 22.526 16.799 -19.940 1.00 0.00 H new ATOM 0 HG2 GLN A 44 23.832 19.030 -18.604 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.955 18.211 -19.671 1.00 0.00 H new ATOM 0 HE21 GLN A 44 23.533 17.398 -21.809 1.00 0.00 H new ATOM 0 HE22 GLN A 44 22.767 18.767 -22.621 1.00 0.00 H new ATOM 773 N ARG A 45 21.565 14.800 -17.868 1.00 0.00 N ATOM 774 CA ARG A 45 20.502 13.804 -17.931 1.00 0.00 C ATOM 775 C ARG A 45 19.845 13.622 -16.566 1.00 0.00 C ATOM 776 O ARG A 45 18.802 12.980 -16.449 1.00 0.00 O ATOM 777 CB ARG A 45 21.056 12.467 -18.426 1.00 0.00 C ATOM 778 CG ARG A 45 19.990 11.529 -18.968 1.00 0.00 C ATOM 779 CD ARG A 45 20.430 10.076 -18.880 1.00 0.00 C ATOM 780 NE ARG A 45 19.313 9.154 -19.069 1.00 0.00 N ATOM 781 CZ ARG A 45 19.464 7.870 -19.375 1.00 0.00 C ATOM 782 NH1 ARG A 45 20.678 7.359 -19.527 1.00 0.00 N ATOM 783 NH2 ARG A 45 18.398 7.094 -19.531 1.00 0.00 N ATOM 0 H ARG A 45 22.506 14.410 -17.821 1.00 0.00 H new ATOM 0 HA ARG A 45 19.747 14.159 -18.633 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.793 12.655 -19.207 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.579 11.974 -17.606 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.065 11.665 -18.407 1.00 0.00 H new ATOM 0 HG3 ARG A 45 19.774 11.783 -20.006 1.00 0.00 H new ATOM 0 HD2 ARG A 45 21.192 9.882 -19.635 1.00 0.00 H new ATOM 0 HD3 ARG A 45 20.890 9.895 -17.908 1.00 0.00 H new ATOM 0 HE ARG A 45 18.365 9.516 -18.960 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.499 7.952 -19.409 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.790 6.373 -19.762 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.462 7.484 -19.416 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.515 6.108 -19.766 1.00 0.00 H new ATOM 797 N ALA A 46 20.465 14.191 -15.537 1.00 0.00 N ATOM 798 CA ALA A 46 19.940 14.093 -14.181 1.00 0.00 C ATOM 799 C ALA A 46 19.062 15.293 -13.843 1.00 0.00 C ATOM 800 O ALA A 46 18.014 15.150 -13.215 1.00 0.00 O ATOM 801 CB ALA A 46 21.081 13.973 -13.181 1.00 0.00 C ATOM 0 H ALA A 46 21.331 14.724 -15.617 1.00 0.00 H new ATOM 0 HA ALA A 46 19.323 13.197 -14.121 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.675 13.901 -12.172 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.666 13.080 -13.402 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.721 14.852 -13.252 1.00 0.00 H new ATOM 807 N ASN A 47 19.498 16.476 -14.264 1.00 0.00 N ATOM 808 CA ASN A 47 18.751 17.702 -14.005 1.00 0.00 C ATOM 809 C ASN A 47 18.046 18.186 -15.268 1.00 0.00 C ATOM 810 O ASN A 47 16.867 18.535 -15.238 1.00 0.00 O ATOM 811 CB ASN A 47 19.688 18.792 -13.480 1.00 0.00 C ATOM 812 CG ASN A 47 19.299 20.173 -13.970 1.00 0.00 C ATOM 813 OD1 ASN A 47 20.106 20.733 -14.864 1.00 0.00 O flip ATOM 814 ND2 ASN A 47 18.284 20.731 -13.551 1.00 0.00 N flip ATOM 0 H ASN A 47 20.364 16.612 -14.786 1.00 0.00 H new ATOM 0 HA ASN A 47 17.996 17.486 -13.249 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.680 18.780 -12.390 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.709 18.572 -13.794 1.00 0.00 H new ATOM 0 HD21 ASN A 47 17.692 20.264 -12.864 1.00 0.00 H new ATOM 0 HD22 ASN A 47 18.035 21.660 -13.891 1.00 0.00 H new ATOM 821 N GLY A 48 18.778 18.205 -16.378 1.00 0.00 N ATOM 822 CA GLY A 48 18.206 18.648 -17.636 1.00 0.00 C ATOM 823 C GLY A 48 19.143 19.552 -18.412 1.00 0.00 C ATOM 824 O GLY A 48 19.321 19.384 -19.619 1.00 0.00 O ATOM 0 H GLY A 48 19.757 17.922 -16.428 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.958 17.779 -18.245 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.273 19.178 -17.441 1.00 0.00 H new ATOM 828 N ARG A 49 19.743 20.515 -17.720 1.00 0.00 N ATOM 829 CA ARG A 49 20.664 21.451 -18.352 1.00 0.00 C ATOM 830 C ARG A 49 21.564 22.114 -17.314 1.00 0.00 C ATOM 831 O ARG A 49 21.196 23.122 -16.711 1.00 0.00 O ATOM 832 CB ARG A 49 19.888 22.519 -19.126 1.00 0.00 C ATOM 833 CG ARG A 49 20.772 23.603 -19.721 1.00 0.00 C ATOM 834 CD ARG A 49 19.948 24.766 -20.249 1.00 0.00 C ATOM 835 NE ARG A 49 19.296 24.445 -21.516 1.00 0.00 N ATOM 836 CZ ARG A 49 18.642 25.336 -22.253 1.00 0.00 C ATOM 837 NH1 ARG A 49 18.555 26.596 -21.853 1.00 0.00 N ATOM 838 NH2 ARG A 49 18.075 24.966 -23.395 1.00 0.00 N ATOM 0 H ARG A 49 19.607 20.667 -16.721 1.00 0.00 H new ATOM 0 HA ARG A 49 21.291 20.891 -19.046 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.327 22.039 -19.928 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.160 22.981 -18.460 1.00 0.00 H new ATOM 0 HG2 ARG A 49 21.468 23.963 -18.963 1.00 0.00 H new ATOM 0 HG3 ARG A 49 21.370 23.183 -20.529 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.193 25.039 -19.512 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.592 25.635 -20.383 1.00 0.00 H new ATOM 0 HE ARG A 49 19.346 23.484 -21.854 1.00 0.00 H new ATOM 0 HH11 ARG A 49 18.991 26.884 -20.977 1.00 0.00 H new ATOM 0 HH12 ARG A 49 18.052 27.278 -22.421 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.141 23.997 -23.707 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.573 25.651 -23.960 1.00 0.00 H new ATOM 852 N ASN A 50 22.745 21.540 -17.110 1.00 0.00 N ATOM 853 CA ASN A 50 23.698 22.075 -16.143 1.00 0.00 C ATOM 854 C ASN A 50 25.118 21.626 -16.474 1.00 0.00 C ATOM 855 O ASN A 50 25.330 20.529 -16.992 1.00 0.00 O ATOM 856 CB ASN A 50 23.326 21.627 -14.728 1.00 0.00 C ATOM 857 CG ASN A 50 24.140 22.337 -13.664 1.00 0.00 C ATOM 858 OD1 ASN A 50 25.349 21.845 -13.417 1.00 0.00 O flip ATOM 859 ND2 ASN A 50 23.688 23.317 -13.072 1.00 0.00 N flip ATOM 0 H ASN A 50 23.065 20.705 -17.601 1.00 0.00 H new ATOM 0 HA ASN A 50 23.659 23.163 -16.195 1.00 0.00 H new ATOM 0 HB2 ASN A 50 22.266 21.816 -14.557 1.00 0.00 H new ATOM 0 HB3 ASN A 50 23.477 20.551 -14.639 1.00 0.00 H new ATOM 0 HD21 ASN A 50 22.754 23.661 -13.294 1.00 0.00 H new ATOM 0 HD22 ASN A 50 24.248 23.785 -12.359 1.00 0.00 H new ATOM 866 N THR A 51 26.089 22.482 -16.170 1.00 0.00 N ATOM 867 CA THR A 51 27.489 22.175 -16.435 1.00 0.00 C ATOM 868 C THR A 51 28.397 22.789 -15.376 1.00 0.00 C ATOM 869 O THR A 51 29.340 23.512 -15.696 1.00 0.00 O ATOM 870 CB THR A 51 27.923 22.682 -17.823 1.00 0.00 C ATOM 871 OG1 THR A 51 29.313 22.410 -18.032 1.00 0.00 O ATOM 872 CG2 THR A 51 27.667 24.176 -17.957 1.00 0.00 C ATOM 0 H THR A 51 25.931 23.393 -15.740 1.00 0.00 H new ATOM 0 HA THR A 51 27.585 21.090 -16.407 1.00 0.00 H new ATOM 0 HB THR A 51 27.334 22.159 -18.577 1.00 0.00 H new ATOM 0 HG1 THR A 51 29.844 22.879 -17.355 1.00 0.00 H new ATOM 0 HG21 THR A 51 27.981 24.512 -18.945 1.00 0.00 H new ATOM 0 HG22 THR A 51 26.603 24.376 -17.827 1.00 0.00 H new ATOM 0 HG23 THR A 51 28.233 24.712 -17.195 1.00 0.00 H new ATOM 880 N PHE A 52 28.107 22.496 -14.113 1.00 0.00 N ATOM 881 CA PHE A 52 28.897 23.020 -13.005 1.00 0.00 C ATOM 882 C PHE A 52 28.862 22.067 -11.813 1.00 0.00 C ATOM 883 O PHE A 52 27.943 21.263 -11.656 1.00 0.00 O ATOM 884 CB PHE A 52 28.379 24.397 -12.587 1.00 0.00 C ATOM 885 CG PHE A 52 28.775 25.498 -13.529 1.00 0.00 C ATOM 886 CD1 PHE A 52 29.974 26.171 -13.364 1.00 0.00 C ATOM 887 CD2 PHE A 52 27.947 25.859 -14.581 1.00 0.00 C ATOM 888 CE1 PHE A 52 30.340 27.185 -14.229 1.00 0.00 C ATOM 889 CE2 PHE A 52 28.309 26.871 -15.449 1.00 0.00 C ATOM 890 CZ PHE A 52 29.507 27.535 -15.274 1.00 0.00 C ATOM 0 H PHE A 52 27.330 21.898 -13.831 1.00 0.00 H new ATOM 0 HA PHE A 52 29.929 23.115 -13.341 1.00 0.00 H new ATOM 0 HB2 PHE A 52 27.292 24.362 -12.519 1.00 0.00 H new ATOM 0 HB3 PHE A 52 28.754 24.630 -11.590 1.00 0.00 H new ATOM 0 HD1 PHE A 52 30.631 25.900 -12.550 1.00 0.00 H new ATOM 0 HD2 PHE A 52 27.009 25.343 -14.723 1.00 0.00 H new ATOM 0 HE1 PHE A 52 31.277 27.703 -14.088 1.00 0.00 H new ATOM 0 HE2 PHE A 52 27.655 27.143 -16.264 1.00 0.00 H new ATOM 0 HZ PHE A 52 29.792 28.326 -15.952 1.00 0.00 H new ATOM 900 N PRO A 53 29.887 22.159 -10.953 1.00 0.00 N ATOM 901 CA PRO A 53 29.997 21.313 -9.760 1.00 0.00 C ATOM 902 C PRO A 53 28.953 21.661 -8.705 1.00 0.00 C ATOM 903 O PRO A 53 28.699 22.834 -8.434 1.00 0.00 O ATOM 904 CB PRO A 53 31.405 21.616 -9.240 1.00 0.00 C ATOM 905 CG PRO A 53 31.711 22.982 -9.749 1.00 0.00 C ATOM 906 CD PRO A 53 31.017 23.094 -11.078 1.00 0.00 C ATOM 0 HA PRO A 53 29.829 20.261 -9.989 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.441 21.582 -8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 53 32.128 20.886 -9.605 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.355 23.745 -9.057 1.00 0.00 H new ATOM 0 HG3 PRO A 53 32.786 23.127 -9.857 1.00 0.00 H new ATOM 0 HD2 PRO A 53 30.677 24.112 -11.269 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.677 22.819 -11.900 1.00 0.00 H new ATOM 914 N GLN A 54 28.352 20.634 -8.113 1.00 0.00 N ATOM 915 CA GLN A 54 27.335 20.833 -7.087 1.00 0.00 C ATOM 916 C GLN A 54 26.901 19.500 -6.486 1.00 0.00 C ATOM 917 O GLN A 54 27.346 18.438 -6.921 1.00 0.00 O ATOM 918 CB GLN A 54 26.123 21.560 -7.674 1.00 0.00 C ATOM 919 CG GLN A 54 25.376 20.749 -8.721 1.00 0.00 C ATOM 920 CD GLN A 54 24.198 19.992 -8.141 1.00 0.00 C ATOM 921 OE1 GLN A 54 23.392 20.551 -7.395 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.090 18.713 -8.481 1.00 0.00 N ATOM 0 H GLN A 54 28.551 19.657 -8.326 1.00 0.00 H new ATOM 0 HA GLN A 54 27.768 21.444 -6.295 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.437 21.816 -6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.453 22.498 -8.120 1.00 0.00 H new ATOM 0 HG2 GLN A 54 25.023 21.416 -9.508 1.00 0.00 H new ATOM 0 HG3 GLN A 54 26.063 20.043 -9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.780 18.290 -9.102 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.317 18.153 -8.122 1.00 0.00 H new ATOM 931 N ILE A 55 26.030 19.564 -5.485 1.00 0.00 N ATOM 932 CA ILE A 55 25.535 18.363 -4.825 1.00 0.00 C ATOM 933 C ILE A 55 24.128 18.014 -5.298 1.00 0.00 C ATOM 934 O ILE A 55 23.186 18.781 -5.096 1.00 0.00 O ATOM 935 CB ILE A 55 25.524 18.526 -3.293 1.00 0.00 C ATOM 936 CG1 ILE A 55 26.934 18.824 -2.779 1.00 0.00 C ATOM 937 CG2 ILE A 55 24.966 17.274 -2.631 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.294 20.292 -2.821 1.00 0.00 C ATOM 0 H ILE A 55 25.652 20.436 -5.113 1.00 0.00 H new ATOM 0 HA ILE A 55 26.216 17.554 -5.092 1.00 0.00 H new ATOM 0 HB ILE A 55 24.880 19.367 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.021 18.466 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 55 27.655 18.264 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.965 17.404 -1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 55 23.947 17.103 -2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.587 16.417 -2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.307 20.429 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.239 20.651 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.596 20.856 -2.202 1.00 0.00 H new ATOM 950 N PHE A 56 23.993 16.852 -5.929 1.00 0.00 N ATOM 951 CA PHE A 56 22.700 16.401 -6.431 1.00 0.00 C ATOM 952 C PHE A 56 22.039 15.441 -5.447 1.00 0.00 C ATOM 953 O PHE A 56 22.713 14.639 -4.799 1.00 0.00 O ATOM 954 CB PHE A 56 22.867 15.721 -7.791 1.00 0.00 C ATOM 955 CG PHE A 56 21.814 16.110 -8.789 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.489 15.755 -8.592 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.149 16.831 -9.924 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.519 16.111 -9.509 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.182 17.190 -10.845 1.00 0.00 C ATOM 960 CZ PHE A 56 19.865 16.830 -10.636 1.00 0.00 C ATOM 0 H PHE A 56 24.763 16.206 -6.105 1.00 0.00 H new ATOM 0 HA PHE A 56 22.058 17.274 -6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.848 15.970 -8.195 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.844 14.640 -7.653 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.212 15.194 -7.712 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.177 17.116 -10.091 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.490 15.827 -9.344 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.456 17.751 -11.726 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.107 17.110 -11.353 1.00 0.00 H new ATOM 970 N ILE A 57 20.718 15.529 -5.340 1.00 0.00 N ATOM 971 CA ILE A 57 19.966 14.668 -4.436 1.00 0.00 C ATOM 972 C ILE A 57 18.653 14.220 -5.068 1.00 0.00 C ATOM 973 O ILE A 57 17.693 14.986 -5.142 1.00 0.00 O ATOM 974 CB ILE A 57 19.664 15.379 -3.103 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.219 16.820 -3.357 1.00 0.00 C ATOM 976 CG2 ILE A 57 20.887 15.348 -2.198 1.00 0.00 C ATOM 977 CD1 ILE A 57 20.367 17.804 -3.422 1.00 0.00 C ATOM 0 H ILE A 57 20.146 16.188 -5.868 1.00 0.00 H new ATOM 0 HA ILE A 57 20.589 13.795 -4.241 1.00 0.00 H new ATOM 0 HB ILE A 57 18.852 14.851 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.663 16.860 -4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.534 17.125 -2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 57 20.658 15.854 -1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.163 14.313 -1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.717 15.854 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.978 18.806 -3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.910 17.792 -2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 57 21.041 17.524 -4.231 1.00 0.00 H new ATOM 989 N GLY A 58 18.617 12.971 -5.523 1.00 0.00 N ATOM 990 CA GLY A 58 17.416 12.441 -6.142 1.00 0.00 C ATOM 991 C GLY A 58 17.058 13.165 -7.425 1.00 0.00 C ATOM 992 O GLY A 58 17.521 12.796 -8.504 1.00 0.00 O ATOM 0 H GLY A 58 19.398 12.317 -5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.557 11.381 -6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.585 12.518 -5.441 1.00 0.00 H new ATOM 996 N ASP A 59 16.229 14.197 -7.308 1.00 0.00 N ATOM 997 CA ASP A 59 15.808 14.974 -8.468 1.00 0.00 C ATOM 998 C ASP A 59 15.962 16.469 -8.205 1.00 0.00 C ATOM 999 O ASP A 59 15.314 17.293 -8.851 1.00 0.00 O ATOM 1000 CB ASP A 59 14.355 14.653 -8.823 1.00 0.00 C ATOM 1001 CG ASP A 59 14.211 13.311 -9.514 1.00 0.00 C ATOM 1002 OD1 ASP A 59 15.240 12.760 -9.960 1.00 0.00 O ATOM 1003 OD2 ASP A 59 13.071 12.812 -9.608 1.00 0.00 O ATOM 0 H ASP A 59 15.836 14.515 -6.422 1.00 0.00 H new ATOM 0 HA ASP A 59 16.448 14.703 -9.308 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.753 14.657 -7.915 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.961 15.436 -9.471 1.00 0.00 H new ATOM 1008 N TYR A 60 16.822 16.811 -7.252 1.00 0.00 N ATOM 1009 CA TYR A 60 17.058 18.207 -6.902 1.00 0.00 C ATOM 1010 C TYR A 60 18.549 18.528 -6.919 1.00 0.00 C ATOM 1011 O TYR A 60 19.383 17.680 -6.599 1.00 0.00 O ATOM 1012 CB TYR A 60 16.475 18.513 -5.521 1.00 0.00 C ATOM 1013 CG TYR A 60 16.823 19.893 -5.009 1.00 0.00 C ATOM 1014 CD1 TYR A 60 16.255 21.028 -5.573 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.720 20.060 -3.961 1.00 0.00 C ATOM 1016 CE1 TYR A 60 16.571 22.290 -5.109 1.00 0.00 C ATOM 1017 CE2 TYR A 60 18.040 21.319 -3.490 1.00 0.00 C ATOM 1018 CZ TYR A 60 17.464 22.431 -4.067 1.00 0.00 C ATOM 1019 OH TYR A 60 17.780 23.686 -3.601 1.00 0.00 O ATOM 0 H TYR A 60 17.367 16.142 -6.708 1.00 0.00 H new ATOM 0 HA TYR A 60 16.562 18.831 -7.646 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.390 18.413 -5.563 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.836 17.769 -4.811 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.554 20.922 -6.388 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.174 19.192 -3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.121 23.162 -5.560 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.738 21.432 -2.674 1.00 0.00 H new ATOM 0 HH TYR A 60 18.422 23.609 -2.864 1.00 0.00 H new ATOM 1029 N HIS A 61 18.878 19.760 -7.295 1.00 0.00 N ATOM 1030 CA HIS A 61 20.269 20.195 -7.353 1.00 0.00 C ATOM 1031 C HIS A 61 20.518 21.349 -6.387 1.00 0.00 C ATOM 1032 O HIS A 61 19.919 22.417 -6.511 1.00 0.00 O ATOM 1033 CB HIS A 61 20.634 20.619 -8.776 1.00 0.00 C ATOM 1034 CG HIS A 61 19.697 21.632 -9.358 1.00 0.00 C ATOM 1035 ND1 HIS A 61 18.434 21.316 -9.812 1.00 0.00 N ATOM 1036 CD2 HIS A 61 19.845 22.963 -9.557 1.00 0.00 C ATOM 1037 CE1 HIS A 61 17.846 22.408 -10.267 1.00 0.00 C ATOM 1038 NE2 HIS A 61 18.681 23.422 -10.123 1.00 0.00 N ATOM 0 H HIS A 61 18.201 20.474 -7.564 1.00 0.00 H new ATOM 0 HA HIS A 61 20.899 19.355 -7.059 1.00 0.00 H new ATOM 0 HB2 HIS A 61 21.644 21.028 -8.777 1.00 0.00 H new ATOM 0 HB3 HIS A 61 20.647 19.737 -9.417 1.00 0.00 H new ATOM 0 HD2 HIS A 61 20.716 23.554 -9.316 1.00 0.00 H new ATOM 0 HE1 HIS A 61 16.852 22.463 -10.686 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.492 24.388 -10.389 1.00 0.00 H new ATOM 1046 N VAL A 62 21.406 21.126 -5.423 1.00 0.00 N ATOM 1047 CA VAL A 62 21.735 22.147 -4.435 1.00 0.00 C ATOM 1048 C VAL A 62 22.514 23.294 -5.068 1.00 0.00 C ATOM 1049 O VAL A 62 21.973 24.374 -5.300 1.00 0.00 O ATOM 1050 CB VAL A 62 22.559 21.560 -3.274 1.00 0.00 C ATOM 1051 CG1 VAL A 62 23.027 22.665 -2.339 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.746 20.520 -2.517 1.00 0.00 C ATOM 0 H VAL A 62 21.910 20.247 -5.305 1.00 0.00 H new ATOM 0 HA VAL A 62 20.790 22.526 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 62 23.440 21.070 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.608 22.231 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.648 23.370 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 62 22.162 23.186 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 62 22.343 20.115 -1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.846 20.985 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.465 19.714 -3.195 1.00 0.00 H new ATOM 1062 N GLY A 63 23.792 23.051 -5.347 1.00 0.00 N ATOM 1063 CA GLY A 63 24.626 24.073 -5.952 1.00 0.00 C ATOM 1064 C GLY A 63 25.899 24.322 -5.167 1.00 0.00 C ATOM 1065 O GLY A 63 26.988 24.369 -5.736 1.00 0.00 O ATOM 0 H GLY A 63 24.264 22.165 -5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.882 23.774 -6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.061 25.002 -6.026 1.00 0.00 H new ATOM 1069 N GLY A 64 25.761 24.483 -3.854 1.00 0.00 N ATOM 1070 CA GLY A 64 26.916 24.729 -3.011 1.00 0.00 C ATOM 1071 C GLY A 64 26.942 23.834 -1.788 1.00 0.00 C ATOM 1072 O GLY A 64 25.934 23.692 -1.093 1.00 0.00 O ATOM 0 H GLY A 64 24.870 24.447 -3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 64 27.825 24.573 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 64 26.915 25.772 -2.694 1.00 0.00 H new ATOM 1076 N CYS A 65 28.094 23.229 -1.523 1.00 0.00 N ATOM 1077 CA CYS A 65 28.246 22.341 -0.376 1.00 0.00 C ATOM 1078 C CYS A 65 27.805 23.034 0.909 1.00 0.00 C ATOM 1079 O CYS A 65 27.141 22.433 1.754 1.00 0.00 O ATOM 1080 CB CYS A 65 29.699 21.881 -0.250 1.00 0.00 C ATOM 1081 SG CYS A 65 30.907 23.225 -0.312 1.00 0.00 S ATOM 0 H CYS A 65 28.937 23.337 -2.087 1.00 0.00 H new ATOM 0 HA CYS A 65 27.610 21.470 -0.534 1.00 0.00 H new ATOM 0 HB2 CYS A 65 29.818 21.343 0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 65 29.916 21.175 -1.051 1.00 0.00 H new ATOM 0 HG CYS A 65 32.106 22.736 -0.195 1.00 0.00 H new ATOM 1087 N ASP A 66 28.182 24.300 1.052 1.00 0.00 N ATOM 1088 CA ASP A 66 27.826 25.075 2.235 1.00 0.00 C ATOM 1089 C ASP A 66 26.312 25.215 2.358 1.00 0.00 C ATOM 1090 O ASP A 66 25.782 25.397 3.454 1.00 0.00 O ATOM 1091 CB ASP A 66 28.476 26.458 2.179 1.00 0.00 C ATOM 1092 CG ASP A 66 28.045 27.252 0.961 1.00 0.00 C ATOM 1093 OD1 ASP A 66 28.683 27.101 -0.101 1.00 0.00 O ATOM 1094 OD2 ASP A 66 27.069 28.024 1.070 1.00 0.00 O ATOM 0 H ASP A 66 28.734 24.811 0.363 1.00 0.00 H new ATOM 0 HA ASP A 66 28.196 24.544 3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.219 27.014 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 66 29.560 26.347 2.171 1.00 0.00 H new ATOM 1099 N ASP A 67 25.621 25.129 1.227 1.00 0.00 N ATOM 1100 CA ASP A 67 24.168 25.246 1.207 1.00 0.00 C ATOM 1101 C ASP A 67 23.516 24.038 1.874 1.00 0.00 C ATOM 1102 O ASP A 67 22.549 24.176 2.623 1.00 0.00 O ATOM 1103 CB ASP A 67 23.665 25.384 -0.231 1.00 0.00 C ATOM 1104 CG ASP A 67 22.761 26.586 -0.415 1.00 0.00 C ATOM 1105 OD1 ASP A 67 23.002 27.618 0.247 1.00 0.00 O ATOM 1106 OD2 ASP A 67 21.812 26.497 -1.222 1.00 0.00 O ATOM 0 H ASP A 67 26.044 24.979 0.311 1.00 0.00 H new ATOM 0 HA ASP A 67 23.893 26.140 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 67 24.518 25.468 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.125 24.480 -0.512 1.00 0.00 H new ATOM 1111 N LEU A 68 24.052 22.855 1.595 1.00 0.00 N ATOM 1112 CA LEU A 68 23.523 21.622 2.167 1.00 0.00 C ATOM 1113 C LEU A 68 23.818 21.544 3.661 1.00 0.00 C ATOM 1114 O LEU A 68 23.016 21.022 4.436 1.00 0.00 O ATOM 1115 CB LEU A 68 24.120 20.408 1.453 1.00 0.00 C ATOM 1116 CG LEU A 68 25.407 19.842 2.054 1.00 0.00 C ATOM 1117 CD1 LEU A 68 25.087 18.828 3.142 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.270 19.211 0.971 1.00 0.00 C ATOM 0 H LEU A 68 24.852 22.724 0.976 1.00 0.00 H new ATOM 0 HA LEU A 68 22.442 21.621 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.371 19.616 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.316 20.682 0.416 1.00 0.00 H new ATOM 0 HG LEU A 68 25.967 20.662 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 68 26.015 18.436 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.511 19.311 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.506 18.010 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.182 18.814 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.719 18.402 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.529 19.964 0.227 1.00 0.00 H new ATOM 1130 N TYR A 69 24.972 22.067 4.059 1.00 0.00 N ATOM 1131 CA TYR A 69 25.373 22.057 5.460 1.00 0.00 C ATOM 1132 C TYR A 69 24.540 23.043 6.273 1.00 0.00 C ATOM 1133 O TYR A 69 23.948 22.682 7.290 1.00 0.00 O ATOM 1134 CB TYR A 69 26.858 22.400 5.590 1.00 0.00 C ATOM 1135 CG TYR A 69 27.758 21.522 4.749 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.529 20.155 4.646 1.00 0.00 C ATOM 1137 CD2 TYR A 69 28.836 22.060 4.057 1.00 0.00 C ATOM 1138 CE1 TYR A 69 28.349 19.350 3.880 1.00 0.00 C ATOM 1139 CE2 TYR A 69 29.661 21.262 3.288 1.00 0.00 C ATOM 1140 CZ TYR A 69 29.413 19.907 3.203 1.00 0.00 C ATOM 1141 OH TYR A 69 30.231 19.108 2.437 1.00 0.00 O ATOM 0 H TYR A 69 25.647 22.503 3.431 1.00 0.00 H new ATOM 0 HA TYR A 69 25.202 21.055 5.852 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.008 23.441 5.303 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.153 22.312 6.636 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.696 19.715 5.174 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.032 23.120 4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 69 28.158 18.289 3.812 1.00 0.00 H new ATOM 0 HE2 TYR A 69 30.495 21.696 2.757 1.00 0.00 H new ATOM 0 HH TYR A 69 30.932 19.656 2.026 1.00 0.00 H new ATOM 1151 N ALA A 70 24.498 24.290 5.816 1.00 0.00 N ATOM 1152 CA ALA A 70 23.736 25.329 6.498 1.00 0.00 C ATOM 1153 C ALA A 70 22.253 24.975 6.551 1.00 0.00 C ATOM 1154 O ALA A 70 21.625 25.047 7.609 1.00 0.00 O ATOM 1155 CB ALA A 70 23.936 26.670 5.808 1.00 0.00 C ATOM 0 H ALA A 70 24.983 24.606 4.976 1.00 0.00 H new ATOM 0 HA ALA A 70 24.103 25.402 7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 70 23.361 27.436 6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.993 26.935 5.826 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.597 26.601 4.774 1.00 0.00 H new ATOM 1161 N LEU A 71 21.699 24.595 5.406 1.00 0.00 N ATOM 1162 CA LEU A 71 20.289 24.231 5.322 1.00 0.00 C ATOM 1163 C LEU A 71 19.973 23.058 6.243 1.00 0.00 C ATOM 1164 O LEU A 71 19.013 23.101 7.012 1.00 0.00 O ATOM 1165 CB LEU A 71 19.918 23.877 3.880 1.00 0.00 C ATOM 1166 CG LEU A 71 19.807 25.051 2.908 1.00 0.00 C ATOM 1167 CD1 LEU A 71 19.559 24.551 1.493 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.700 26.001 3.342 1.00 0.00 C ATOM 0 H LEU A 71 22.204 24.531 4.522 1.00 0.00 H new ATOM 0 HA LEU A 71 19.698 25.089 5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.664 23.182 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.965 23.349 3.891 1.00 0.00 H new ATOM 0 HG LEU A 71 20.751 25.596 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 71 19.483 25.401 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.386 23.912 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.630 23.981 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.636 26.831 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.750 25.468 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.921 26.386 4.338 1.00 0.00 H new ATOM 1180 N GLU A 72 20.789 22.011 6.161 1.00 0.00 N ATOM 1181 CA GLU A 72 20.597 20.827 6.990 1.00 0.00 C ATOM 1182 C GLU A 72 20.584 21.195 8.471 1.00 0.00 C ATOM 1183 O GLU A 72 19.781 20.673 9.243 1.00 0.00 O ATOM 1184 CB GLU A 72 21.701 19.803 6.718 1.00 0.00 C ATOM 1185 CG GLU A 72 21.725 18.655 7.713 1.00 0.00 C ATOM 1186 CD GLU A 72 22.537 18.974 8.953 1.00 0.00 C ATOM 1187 OE1 GLU A 72 23.708 19.383 8.805 1.00 0.00 O ATOM 1188 OE2 GLU A 72 22.003 18.815 10.070 1.00 0.00 O ATOM 0 H GLU A 72 21.588 21.959 5.529 1.00 0.00 H new ATOM 0 HA GLU A 72 19.632 20.389 6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.571 19.400 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.666 20.309 6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.704 18.411 8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 72 22.139 17.770 7.230 1.00 0.00 H new ATOM 1195 N ASN A 73 21.479 22.098 8.858 1.00 0.00 N ATOM 1196 CA ASN A 73 21.571 22.536 10.246 1.00 0.00 C ATOM 1197 C ASN A 73 20.512 23.589 10.556 1.00 0.00 C ATOM 1198 O ASN A 73 20.226 23.876 11.719 1.00 0.00 O ATOM 1199 CB ASN A 73 22.965 23.097 10.534 1.00 0.00 C ATOM 1200 CG ASN A 73 23.379 22.904 11.980 1.00 0.00 C ATOM 1201 OD1 ASN A 73 23.012 21.915 12.615 1.00 0.00 O ATOM 1202 ND2 ASN A 73 24.148 23.850 12.507 1.00 0.00 N ATOM 0 H ASN A 73 22.150 22.540 8.230 1.00 0.00 H new ATOM 0 HA ASN A 73 21.395 21.671 10.886 1.00 0.00 H new ATOM 0 HB2 ASN A 73 23.691 22.610 9.883 1.00 0.00 H new ATOM 0 HB3 ASN A 73 22.983 24.160 10.293 1.00 0.00 H new ATOM 0 HD21 ASN A 73 24.459 23.774 13.476 1.00 0.00 H new ATOM 0 HD22 ASN A 73 24.428 24.653 11.943 1.00 0.00 H new ATOM 1209 N LYS A 74 19.933 24.163 9.507 1.00 0.00 N ATOM 1210 CA LYS A 74 18.904 25.184 9.665 1.00 0.00 C ATOM 1211 C LYS A 74 17.533 24.548 9.871 1.00 0.00 C ATOM 1212 O LYS A 74 16.625 25.170 10.421 1.00 0.00 O ATOM 1213 CB LYS A 74 18.873 26.100 8.439 1.00 0.00 C ATOM 1214 CG LYS A 74 19.496 27.464 8.683 1.00 0.00 C ATOM 1215 CD LYS A 74 20.574 27.776 7.658 1.00 0.00 C ATOM 1216 CE LYS A 74 20.796 29.274 7.522 1.00 0.00 C ATOM 1217 NZ LYS A 74 19.694 29.932 6.767 1.00 0.00 N ATOM 0 H LYS A 74 20.159 23.938 8.538 1.00 0.00 H new ATOM 0 HA LYS A 74 19.147 25.775 10.548 1.00 0.00 H new ATOM 0 HB2 LYS A 74 19.398 25.612 7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.839 26.234 8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.722 28.231 8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.925 27.495 9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.507 27.294 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.290 27.360 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.874 29.721 8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.743 29.456 7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.967 30.908 6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.511 29.405 5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.833 29.943 7.350 1.00 0.00 H new ATOM 1231 N GLY A 75 17.391 23.302 9.428 1.00 0.00 N ATOM 1232 CA GLY A 75 16.128 22.602 9.575 1.00 0.00 C ATOM 1233 C GLY A 75 15.748 21.824 8.331 1.00 0.00 C ATOM 1234 O GLY A 75 14.749 21.104 8.320 1.00 0.00 O ATOM 0 H GLY A 75 18.128 22.765 8.970 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.191 21.919 10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.342 23.322 9.804 1.00 0.00 H new ATOM 1238 N LYS A 76 16.545 21.969 7.278 1.00 0.00 N ATOM 1239 CA LYS A 76 16.289 21.275 6.022 1.00 0.00 C ATOM 1240 C LYS A 76 16.773 19.830 6.090 1.00 0.00 C ATOM 1241 O LYS A 76 16.660 19.080 5.119 1.00 0.00 O ATOM 1242 CB LYS A 76 16.977 22.000 4.864 1.00 0.00 C ATOM 1243 CG LYS A 76 16.480 23.420 4.654 1.00 0.00 C ATOM 1244 CD LYS A 76 14.981 23.456 4.412 1.00 0.00 C ATOM 1245 CE LYS A 76 14.557 24.745 3.724 1.00 0.00 C ATOM 1246 NZ LYS A 76 14.520 25.893 4.672 1.00 0.00 N ATOM 0 H LYS A 76 17.375 22.562 7.270 1.00 0.00 H new ATOM 0 HA LYS A 76 15.212 21.272 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.051 22.023 5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.823 21.431 3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.723 24.024 5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.997 23.866 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.690 22.603 3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.456 23.360 5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.248 24.967 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.572 24.611 3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.227 26.752 4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.842 25.692 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.466 26.037 5.080 1.00 0.00 H new ATOM 1260 N LEU A 77 17.311 19.445 7.242 1.00 0.00 N ATOM 1261 CA LEU A 77 17.811 18.088 7.437 1.00 0.00 C ATOM 1262 C LEU A 77 16.765 17.057 7.025 1.00 0.00 C ATOM 1263 O LEU A 77 17.088 16.044 6.405 1.00 0.00 O ATOM 1264 CB LEU A 77 18.205 17.874 8.900 1.00 0.00 C ATOM 1265 CG LEU A 77 18.588 16.446 9.290 1.00 0.00 C ATOM 1266 CD1 LEU A 77 20.100 16.299 9.361 1.00 0.00 C ATOM 1267 CD2 LEU A 77 17.950 16.067 10.619 1.00 0.00 C ATOM 0 H LEU A 77 17.412 20.053 8.055 1.00 0.00 H new ATOM 0 HA LEU A 77 18.691 17.958 6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 77 19.045 18.529 9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.373 18.191 9.529 1.00 0.00 H new ATOM 0 HG LEU A 77 18.214 15.768 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 77 20.353 15.276 9.640 1.00 0.00 H new ATOM 0 HD12 LEU A 77 20.534 16.528 8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 77 20.498 16.988 10.106 1.00 0.00 H new ATOM 0 HD21 LEU A 77 18.233 15.048 10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 77 18.294 16.750 11.396 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.865 16.131 10.533 1.00 0.00 H new ATOM 1279 N ASP A 78 15.510 17.324 7.371 1.00 0.00 N ATOM 1280 CA ASP A 78 14.415 16.422 7.034 1.00 0.00 C ATOM 1281 C ASP A 78 14.391 16.133 5.536 1.00 0.00 C ATOM 1282 O ASP A 78 14.327 14.977 5.117 1.00 0.00 O ATOM 1283 CB ASP A 78 13.078 17.021 7.473 1.00 0.00 C ATOM 1284 CG ASP A 78 11.961 15.997 7.485 1.00 0.00 C ATOM 1285 OD1 ASP A 78 11.947 15.123 6.593 1.00 0.00 O ATOM 1286 OD2 ASP A 78 11.100 16.069 8.387 1.00 0.00 O ATOM 0 H ASP A 78 15.226 18.158 7.885 1.00 0.00 H new ATOM 0 HA ASP A 78 14.574 15.483 7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.185 17.449 8.470 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.811 17.838 6.802 1.00 0.00 H new ATOM 1291 N SER A 79 14.439 17.192 4.734 1.00 0.00 N ATOM 1292 CA SER A 79 14.418 17.053 3.282 1.00 0.00 C ATOM 1293 C SER A 79 15.668 16.332 2.787 1.00 0.00 C ATOM 1294 O SER A 79 15.584 15.387 2.001 1.00 0.00 O ATOM 1295 CB SER A 79 14.311 18.427 2.619 1.00 0.00 C ATOM 1296 OG SER A 79 14.358 18.316 1.207 1.00 0.00 O ATOM 0 H SER A 79 14.493 18.155 5.065 1.00 0.00 H new ATOM 0 HA SER A 79 13.546 16.458 3.011 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.380 18.907 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.124 19.065 2.964 1.00 0.00 H new ATOM 0 HG SER A 79 14.286 19.207 0.806 1.00 0.00 H new ATOM 1302 N LEU A 80 16.827 16.784 3.252 1.00 0.00 N ATOM 1303 CA LEU A 80 18.097 16.184 2.857 1.00 0.00 C ATOM 1304 C LEU A 80 18.097 14.683 3.128 1.00 0.00 C ATOM 1305 O LEU A 80 18.654 13.901 2.356 1.00 0.00 O ATOM 1306 CB LEU A 80 19.253 16.849 3.606 1.00 0.00 C ATOM 1307 CG LEU A 80 20.029 17.915 2.832 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.908 17.270 1.772 1.00 0.00 C ATOM 1309 CD2 LEU A 80 19.074 18.916 2.199 1.00 0.00 C ATOM 0 H LEU A 80 16.914 17.564 3.903 1.00 0.00 H new ATOM 0 HA LEU A 80 18.228 16.342 1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.857 17.304 4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.952 16.073 3.917 1.00 0.00 H new ATOM 0 HG LEU A 80 20.671 18.449 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.453 18.044 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.617 16.593 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.285 16.710 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.644 19.667 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.406 18.397 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.487 19.402 2.978 1.00 0.00 H new ATOM 1321 N LEU A 81 17.467 14.286 4.228 1.00 0.00 N ATOM 1322 CA LEU A 81 17.391 12.877 4.601 1.00 0.00 C ATOM 1323 C LEU A 81 16.450 12.118 3.671 1.00 0.00 C ATOM 1324 O LEU A 81 16.810 11.074 3.127 1.00 0.00 O ATOM 1325 CB LEU A 81 16.919 12.737 6.049 1.00 0.00 C ATOM 1326 CG LEU A 81 17.954 12.212 7.044 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.693 13.366 7.705 1.00 0.00 C ATOM 1328 CD2 LEU A 81 17.288 11.333 8.093 1.00 0.00 C ATOM 0 H LEU A 81 17.001 14.920 4.878 1.00 0.00 H new ATOM 0 HA LEU A 81 18.388 12.447 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.575 13.712 6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.057 12.070 6.066 1.00 0.00 H new ATOM 0 HG LEU A 81 18.679 11.607 6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.426 12.973 8.410 1.00 0.00 H new ATOM 0 HD12 LEU A 81 19.203 13.956 6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.981 13.997 8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.040 10.968 8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.541 11.914 8.634 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.805 10.486 7.605 1.00 0.00 H new ATOM 1340 N GLN A 82 15.246 12.650 3.493 1.00 0.00 N ATOM 1341 CA GLN A 82 14.254 12.022 2.628 1.00 0.00 C ATOM 1342 C GLN A 82 14.767 11.922 1.196 1.00 0.00 C ATOM 1343 O GLN A 82 14.336 11.059 0.431 1.00 0.00 O ATOM 1344 CB GLN A 82 12.945 12.813 2.660 1.00 0.00 C ATOM 1345 CG GLN A 82 11.886 12.275 1.711 1.00 0.00 C ATOM 1346 CD GLN A 82 10.482 12.681 2.114 1.00 0.00 C ATOM 1347 OE1 GLN A 82 9.823 11.992 2.894 1.00 0.00 O ATOM 1348 NE2 GLN A 82 10.015 13.805 1.583 1.00 0.00 N ATOM 0 H GLN A 82 14.933 13.514 3.936 1.00 0.00 H new ATOM 0 HA GLN A 82 14.070 11.014 3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.549 12.804 3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.152 13.853 2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.089 12.636 0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.951 11.187 1.679 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.595 14.345 0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.076 14.128 1.817 1.00 0.00 H new ATOM 1357 N ASP A 83 15.689 12.809 0.839 1.00 0.00 N ATOM 1358 CA ASP A 83 16.262 12.820 -0.502 1.00 0.00 C ATOM 1359 C ASP A 83 17.390 11.800 -0.619 1.00 0.00 C ATOM 1360 O ASP A 83 17.393 10.964 -1.523 1.00 0.00 O ATOM 1361 CB ASP A 83 16.782 14.216 -0.846 1.00 0.00 C ATOM 1362 CG ASP A 83 16.324 14.684 -2.213 1.00 0.00 C ATOM 1363 OD1 ASP A 83 16.304 13.856 -3.148 1.00 0.00 O ATOM 1364 OD2 ASP A 83 15.985 15.878 -2.348 1.00 0.00 O ATOM 0 H ASP A 83 16.056 13.530 1.460 1.00 0.00 H new ATOM 0 HA ASP A 83 15.477 12.549 -1.208 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.442 14.924 -0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.871 14.213 -0.812 1.00 0.00 H new ATOM 1369 N VAL A 84 18.347 11.875 0.300 1.00 0.00 N ATOM 1370 CA VAL A 84 19.481 10.958 0.300 1.00 0.00 C ATOM 1371 C VAL A 84 19.035 9.533 0.606 1.00 0.00 C ATOM 1372 O VAL A 84 19.738 8.571 0.295 1.00 0.00 O ATOM 1373 CB VAL A 84 20.546 11.383 1.328 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.006 12.808 1.062 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.006 11.243 2.743 1.00 0.00 C ATOM 0 H VAL A 84 18.360 12.561 1.054 1.00 0.00 H new ATOM 0 HA VAL A 84 19.916 10.993 -0.699 1.00 0.00 H new ATOM 0 HB VAL A 84 21.408 10.724 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.758 13.091 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.435 12.871 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.155 13.485 1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.772 11.548 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.127 11.877 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.732 10.204 2.927 1.00 0.00 H new ATOM 1385 N HIS A 85 17.861 9.404 1.217 1.00 0.00 N ATOM 1386 CA HIS A 85 17.320 8.095 1.565 1.00 0.00 C ATOM 1387 C HIS A 85 17.318 7.168 0.352 1.00 0.00 C ATOM 1388 O HIS A 85 16.276 6.638 -0.034 1.00 0.00 O ATOM 1389 CB HIS A 85 15.901 8.236 2.116 1.00 0.00 C ATOM 1390 CG HIS A 85 15.350 6.965 2.685 1.00 0.00 C ATOM 1391 ND1 HIS A 85 15.884 6.344 3.795 1.00 0.00 N ATOM 1392 CD2 HIS A 85 14.305 6.199 2.293 1.00 0.00 C ATOM 1393 CE1 HIS A 85 15.192 5.250 4.060 1.00 0.00 C ATOM 1394 NE2 HIS A 85 14.229 5.139 3.164 1.00 0.00 N ATOM 0 H HIS A 85 17.267 10.190 1.481 1.00 0.00 H new ATOM 0 HA HIS A 85 17.958 7.658 2.333 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.895 9.003 2.890 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.243 8.583 1.319 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.653 6.386 1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.382 4.563 4.872 1.00 0.00 H new ATOM 0 HE2 HIS A 85 13.540 4.388 3.125 1.00 0.00 H new TER 1402 HIS A 85