USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=18 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 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.733 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.516 USER MOD Single : A -3 GLY N :NH3+ -122:sc= -0.592 (180deg=-2.37!) USER MOD Single : A 11 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.2) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -105:sc= -0.92 (180deg=-2.81!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.399 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= -0.311 X(o=-0.31,f=-0.052) USER MOD Single : A 42 MET CE :methyl 170:sc= -0.855 (180deg=-1.04) USER MOD Single : A 44 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.9!) USER MOD Single : A 47 ASN :FLIP amide:sc= -4.53 F(o=-5.2!,f=-4.5) USER MOD Single : A 50 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.8) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.04 X(o=-2,f=-2.2) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-1.1) USER MOD Single : A 65 CYS SG : rot -152:sc= 0.302 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 9.320 -2.429 2.332 1.00 0.00 N ATOM 2 CA GLY A -3 7.958 -1.999 2.587 1.00 0.00 C ATOM 3 C GLY A -3 7.563 -0.799 1.749 1.00 0.00 C ATOM 4 O GLY A -3 6.761 -0.900 0.820 1.00 0.00 O ATOM 0 H1 GLY A -3 9.318 -3.421 2.020 1.00 0.00 H new ATOM 0 H2 GLY A -3 9.739 -1.834 1.589 1.00 0.00 H new ATOM 0 H3 GLY A -3 9.881 -2.341 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A -3 7.275 -2.823 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A -3 7.850 -1.752 3.643 1.00 0.00 H new ATOM 8 N PRO A -2 8.134 0.370 2.077 1.00 0.00 N ATOM 9 CA PRO A -2 7.851 1.617 1.360 1.00 0.00 C ATOM 10 C PRO A -2 8.428 1.620 -0.051 1.00 0.00 C ATOM 11 O PRO A -2 9.260 0.780 -0.393 1.00 0.00 O ATOM 12 CB PRO A -2 8.535 2.683 2.220 1.00 0.00 C ATOM 13 CG PRO A -2 9.620 1.954 2.934 1.00 0.00 C ATOM 14 CD PRO A -2 9.099 0.564 3.172 1.00 0.00 C ATOM 0 HA PRO A -2 6.781 1.777 1.228 1.00 0.00 H new ATOM 0 HB2 PRO A -2 8.937 3.489 1.606 1.00 0.00 H new ATOM 0 HB3 PRO A -2 7.834 3.136 2.921 1.00 0.00 H new ATOM 0 HG2 PRO A -2 10.533 1.932 2.338 1.00 0.00 H new ATOM 0 HG3 PRO A -2 9.866 2.445 3.876 1.00 0.00 H new ATOM 0 HD2 PRO A -2 9.899 -0.176 3.139 1.00 0.00 H new ATOM 0 HD3 PRO A -2 8.622 0.475 4.148 1.00 0.00 H new ATOM 22 N GLY A -1 7.982 2.570 -0.867 1.00 0.00 N ATOM 23 CA GLY A -1 8.467 2.663 -2.232 1.00 0.00 C ATOM 24 C GLY A -1 9.363 3.866 -2.448 1.00 0.00 C ATOM 25 O GLY A -1 9.604 4.272 -3.584 1.00 0.00 O ATOM 0 H GLY A -1 7.294 3.277 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A -1 9.016 1.755 -2.482 1.00 0.00 H new ATOM 0 HA3 GLY A -1 7.618 2.719 -2.913 1.00 0.00 H new ATOM 29 N SER A 0 9.857 4.438 -1.355 1.00 0.00 N ATOM 30 CA SER A 0 10.727 5.606 -1.429 1.00 0.00 C ATOM 31 C SER A 0 12.193 5.199 -1.310 1.00 0.00 C ATOM 32 O SER A 0 12.694 4.958 -0.212 1.00 0.00 O ATOM 33 CB SER A 0 10.372 6.605 -0.327 1.00 0.00 C ATOM 34 OG SER A 0 10.934 7.878 -0.592 1.00 0.00 O ATOM 0 H SER A 0 9.670 4.111 -0.407 1.00 0.00 H new ATOM 0 HA SER A 0 10.576 6.079 -2.399 1.00 0.00 H new ATOM 0 HB2 SER A 0 9.288 6.692 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 0 10.735 6.237 0.633 1.00 0.00 H new ATOM 0 HG SER A 0 10.691 8.499 0.126 1.00 0.00 H new ATOM 40 N MET A 1 12.874 5.125 -2.449 1.00 0.00 N ATOM 41 CA MET A 1 14.283 4.748 -2.473 1.00 0.00 C ATOM 42 C MET A 1 15.110 5.785 -3.227 1.00 0.00 C ATOM 43 O MET A 1 15.747 5.473 -4.234 1.00 0.00 O ATOM 44 CB MET A 1 14.455 3.373 -3.120 1.00 0.00 C ATOM 45 CG MET A 1 14.249 2.217 -2.154 1.00 0.00 C ATOM 46 SD MET A 1 14.068 0.632 -2.996 1.00 0.00 S ATOM 47 CE MET A 1 15.784 0.175 -3.229 1.00 0.00 C ATOM 0 H MET A 1 12.474 5.321 -3.366 1.00 0.00 H new ATOM 0 HA MET A 1 14.639 4.703 -1.444 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.748 3.277 -3.944 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.455 3.304 -3.548 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.095 2.166 -1.469 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.362 2.407 -1.550 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.838 -0.787 -3.739 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.284 0.934 -3.831 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.275 0.100 -2.259 1.00 0.00 H new ATOM 57 N LYS A 2 15.096 7.018 -2.734 1.00 0.00 N ATOM 58 CA LYS A 2 15.846 8.101 -3.360 1.00 0.00 C ATOM 59 C LYS A 2 17.346 7.839 -3.286 1.00 0.00 C ATOM 60 O LYS A 2 17.788 6.893 -2.634 1.00 0.00 O ATOM 61 CB LYS A 2 15.516 9.434 -2.685 1.00 0.00 C ATOM 62 CG LYS A 2 14.067 9.858 -2.850 1.00 0.00 C ATOM 63 CD LYS A 2 13.716 10.088 -4.311 1.00 0.00 C ATOM 64 CE LYS A 2 12.290 10.594 -4.469 1.00 0.00 C ATOM 65 NZ LYS A 2 11.294 9.495 -4.339 1.00 0.00 N ATOM 0 H LYS A 2 14.573 7.293 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 2 15.556 8.150 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.745 9.360 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.162 10.210 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.413 9.092 -2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.888 10.772 -2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.409 10.809 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.837 9.158 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.090 11.357 -3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.180 11.071 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.335 9.881 -4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.469 8.779 -5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.382 9.056 -3.400 1.00 0.00 H new ATOM 79 N GLU A 3 18.124 8.683 -3.956 1.00 0.00 N ATOM 80 CA GLU A 3 19.576 8.541 -3.964 1.00 0.00 C ATOM 81 C GLU A 3 20.256 9.907 -3.943 1.00 0.00 C ATOM 82 O GLU A 3 19.748 10.874 -4.511 1.00 0.00 O ATOM 83 CB GLU A 3 20.027 7.753 -5.195 1.00 0.00 C ATOM 84 CG GLU A 3 19.966 8.553 -6.486 1.00 0.00 C ATOM 85 CD GLU A 3 18.552 8.963 -6.852 1.00 0.00 C ATOM 86 OE1 GLU A 3 17.682 8.073 -6.949 1.00 0.00 O ATOM 87 OE2 GLU A 3 18.317 10.175 -7.041 1.00 0.00 O ATOM 0 H GLU A 3 17.774 9.472 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 3 19.867 7.996 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.049 7.407 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.402 6.866 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 3 20.585 9.445 -6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.390 7.960 -7.297 1.00 0.00 H new ATOM 94 N ILE A 4 21.407 9.977 -3.283 1.00 0.00 N ATOM 95 CA ILE A 4 22.157 11.224 -3.188 1.00 0.00 C ATOM 96 C ILE A 4 23.436 11.160 -4.018 1.00 0.00 C ATOM 97 O ILE A 4 24.135 10.147 -4.022 1.00 0.00 O ATOM 98 CB ILE A 4 22.522 11.552 -1.728 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.072 12.976 -1.625 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.533 10.547 -1.196 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.577 13.053 -1.753 1.00 0.00 C ATOM 0 H ILE A 4 21.840 9.186 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 4 21.512 12.011 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 4 21.620 11.486 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.617 13.590 -2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 4 22.775 13.403 -0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 4 23.781 10.792 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.107 9.545 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.437 10.583 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 4 24.896 14.092 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.040 12.467 -0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 4 24.881 12.656 -2.722 1.00 0.00 H new ATOM 113 N ILE A 5 23.735 12.250 -4.717 1.00 0.00 N ATOM 114 CA ILE A 5 24.931 12.319 -5.548 1.00 0.00 C ATOM 115 C ILE A 5 25.690 13.620 -5.311 1.00 0.00 C ATOM 116 O ILE A 5 25.100 14.639 -4.949 1.00 0.00 O ATOM 117 CB ILE A 5 24.584 12.205 -7.044 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.492 11.155 -7.258 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.826 11.857 -7.850 1.00 0.00 C ATOM 120 CD1 ILE A 5 23.112 10.966 -8.710 1.00 0.00 C ATOM 0 H ILE A 5 23.166 13.097 -4.724 1.00 0.00 H new ATOM 0 HA ILE A 5 25.562 11.476 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 5 24.208 13.168 -7.389 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.831 10.202 -6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.606 11.444 -6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.565 11.780 -8.905 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.576 12.637 -7.718 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.228 10.905 -7.505 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.333 10.207 -8.786 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.742 11.908 -9.115 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.987 10.646 -9.276 1.00 0.00 H new ATOM 132 N LEU A 6 27.002 13.579 -5.519 1.00 0.00 N ATOM 133 CA LEU A 6 27.843 14.756 -5.330 1.00 0.00 C ATOM 134 C LEU A 6 28.744 14.981 -6.540 1.00 0.00 C ATOM 135 O LEU A 6 29.629 14.174 -6.826 1.00 0.00 O ATOM 136 CB LEU A 6 28.694 14.601 -4.068 1.00 0.00 C ATOM 137 CG LEU A 6 28.957 13.167 -3.607 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.342 13.050 -2.990 1.00 0.00 C ATOM 139 CD2 LEU A 6 27.890 12.721 -2.617 1.00 0.00 C ATOM 0 H LEU A 6 27.506 12.744 -5.818 1.00 0.00 H new ATOM 0 HA LEU A 6 27.192 15.623 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.654 15.088 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.205 15.138 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 6 28.913 12.512 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 6 30.511 12.023 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.094 13.327 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.415 13.716 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.093 11.698 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 6 27.901 13.380 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 6 26.911 12.765 -3.093 1.00 0.00 H new ATOM 151 N TYR A 7 28.515 16.083 -7.245 1.00 0.00 N ATOM 152 CA TYR A 7 29.305 16.414 -8.424 1.00 0.00 C ATOM 153 C TYR A 7 30.468 17.332 -8.060 1.00 0.00 C ATOM 154 O TYR A 7 30.267 18.460 -7.608 1.00 0.00 O ATOM 155 CB TYR A 7 28.426 17.082 -9.482 1.00 0.00 C ATOM 156 CG TYR A 7 27.370 16.166 -10.059 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.634 15.390 -11.181 1.00 0.00 C ATOM 158 CD2 TYR A 7 26.109 16.077 -9.482 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.673 14.551 -11.711 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.142 15.240 -10.005 1.00 0.00 C ATOM 161 CZ TYR A 7 25.429 14.480 -11.120 1.00 0.00 C ATOM 162 OH TYR A 7 24.468 13.646 -11.645 1.00 0.00 O ATOM 0 H TYR A 7 27.788 16.762 -7.020 1.00 0.00 H new ATOM 0 HA TYR A 7 29.710 15.487 -8.830 1.00 0.00 H new ATOM 0 HB2 TYR A 7 27.939 17.952 -9.041 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.059 17.447 -10.291 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.607 15.444 -11.647 1.00 0.00 H new ATOM 0 HD2 TYR A 7 25.881 16.672 -8.610 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.895 13.954 -12.583 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.167 15.181 -9.544 1.00 0.00 H new ATOM 0 HH TYR A 7 23.649 13.713 -11.111 1.00 0.00 H new ATOM 172 N THR A 8 31.687 16.841 -8.261 1.00 0.00 N ATOM 173 CA THR A 8 32.883 17.615 -7.954 1.00 0.00 C ATOM 174 C THR A 8 34.146 16.845 -8.323 1.00 0.00 C ATOM 175 O THR A 8 34.077 15.704 -8.782 1.00 0.00 O ATOM 176 CB THR A 8 32.942 17.990 -6.461 1.00 0.00 C ATOM 177 OG1 THR A 8 31.999 17.206 -5.722 1.00 0.00 O ATOM 178 CG2 THR A 8 32.646 19.468 -6.262 1.00 0.00 C ATOM 0 H THR A 8 31.872 15.910 -8.635 1.00 0.00 H new ATOM 0 HA THR A 8 32.830 18.527 -8.548 1.00 0.00 H new ATOM 0 HB THR A 8 33.949 17.785 -6.097 1.00 0.00 H new ATOM 0 HG1 THR A 8 32.043 17.449 -4.774 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.693 19.709 -5.200 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.383 20.063 -6.802 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.649 19.694 -6.641 1.00 0.00 H new ATOM 186 N ARG A 9 35.298 17.474 -8.120 1.00 0.00 N ATOM 187 CA ARG A 9 36.577 16.848 -8.432 1.00 0.00 C ATOM 188 C ARG A 9 37.094 16.045 -7.242 1.00 0.00 C ATOM 189 O ARG A 9 36.747 16.304 -6.089 1.00 0.00 O ATOM 190 CB ARG A 9 37.605 17.908 -8.831 1.00 0.00 C ATOM 191 CG ARG A 9 37.724 19.047 -7.833 1.00 0.00 C ATOM 192 CD ARG A 9 38.872 19.980 -8.186 1.00 0.00 C ATOM 193 NE ARG A 9 39.418 20.648 -7.007 1.00 0.00 N ATOM 194 CZ ARG A 9 40.534 21.368 -7.021 1.00 0.00 C ATOM 195 NH1 ARG A 9 41.219 21.514 -8.147 1.00 0.00 N ATOM 196 NH2 ARG A 9 40.966 21.945 -5.907 1.00 0.00 N ATOM 0 H ARG A 9 35.372 18.418 -7.740 1.00 0.00 H new ATOM 0 HA ARG A 9 36.424 16.167 -9.269 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.579 17.432 -8.945 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.334 18.316 -9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.791 19.610 -7.809 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.878 18.641 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 9 39.661 19.413 -8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 9 38.525 20.728 -8.898 1.00 0.00 H new ATOM 0 HE ARG A 9 38.915 20.556 -6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 9 40.889 21.073 -9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 9 42.076 22.068 -8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 9 40.441 21.836 -5.039 1.00 0.00 H new ATOM 0 HH22 ARG A 9 41.823 22.498 -5.918 1.00 0.00 H new ATOM 210 N PRO A 10 37.945 15.048 -7.525 1.00 0.00 N ATOM 211 CA PRO A 10 38.529 14.187 -6.491 1.00 0.00 C ATOM 212 C PRO A 10 39.536 14.930 -5.619 1.00 0.00 C ATOM 213 O PRO A 10 39.965 16.034 -5.953 1.00 0.00 O ATOM 214 CB PRO A 10 39.226 13.088 -7.296 1.00 0.00 C ATOM 215 CG PRO A 10 39.525 13.716 -8.614 1.00 0.00 C ATOM 216 CD PRO A 10 38.403 14.683 -8.876 1.00 0.00 C ATOM 0 HA PRO A 10 37.775 13.813 -5.798 1.00 0.00 H new ATOM 0 HB2 PRO A 10 40.138 12.752 -6.801 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.585 12.214 -7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.486 14.230 -8.592 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.583 12.964 -9.401 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.746 15.555 -9.433 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.605 14.224 -9.460 1.00 0.00 H new ATOM 224 N ASN A 11 39.909 14.316 -4.501 1.00 0.00 N ATOM 225 CA ASN A 11 40.866 14.920 -3.581 1.00 0.00 C ATOM 226 C ASN A 11 40.309 16.210 -2.986 1.00 0.00 C ATOM 227 O ASN A 11 41.056 17.041 -2.468 1.00 0.00 O ATOM 228 CB ASN A 11 42.186 15.206 -4.300 1.00 0.00 C ATOM 229 CG ASN A 11 42.570 14.100 -5.265 1.00 0.00 C ATOM 230 OD1 ASN A 11 42.807 12.962 -4.859 1.00 0.00 O ATOM 231 ND2 ASN A 11 42.634 14.431 -6.549 1.00 0.00 N ATOM 0 H ASN A 11 39.564 13.401 -4.210 1.00 0.00 H new ATOM 0 HA ASN A 11 41.047 14.215 -2.770 1.00 0.00 H new ATOM 0 HB2 ASN A 11 42.104 16.147 -4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 11 42.979 15.332 -3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 11 42.888 13.729 -7.244 1.00 0.00 H new ATOM 0 HD22 ASN A 11 42.429 15.387 -6.840 1.00 0.00 H new ATOM 238 N CYS A 12 38.992 16.370 -3.062 1.00 0.00 N ATOM 239 CA CYS A 12 38.334 17.557 -2.531 1.00 0.00 C ATOM 240 C CYS A 12 38.145 17.445 -1.021 1.00 0.00 C ATOM 241 O CYS A 12 37.474 16.542 -0.520 1.00 0.00 O ATOM 242 CB CYS A 12 36.979 17.762 -3.212 1.00 0.00 C ATOM 243 SG CYS A 12 35.877 16.313 -3.127 1.00 0.00 S ATOM 0 H CYS A 12 38.359 15.692 -3.487 1.00 0.00 H new ATOM 0 HA CYS A 12 38.971 18.417 -2.737 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.478 18.614 -2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 12 37.145 18.018 -4.258 1.00 0.00 H new ATOM 248 N PRO A 13 38.749 18.383 -0.278 1.00 0.00 N ATOM 249 CA PRO A 13 38.662 18.412 1.185 1.00 0.00 C ATOM 250 C PRO A 13 37.266 18.783 1.675 1.00 0.00 C ATOM 251 O PRO A 13 36.732 18.157 2.591 1.00 0.00 O ATOM 252 CB PRO A 13 39.672 19.493 1.580 1.00 0.00 C ATOM 253 CG PRO A 13 39.763 20.380 0.386 1.00 0.00 C ATOM 254 CD PRO A 13 39.564 19.489 -0.808 1.00 0.00 C ATOM 0 HA PRO A 13 38.868 17.436 1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.338 20.045 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.641 19.059 1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.003 21.161 0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 13 40.731 20.879 0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 13 39.055 20.011 -1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.514 19.133 -1.206 1.00 0.00 H new ATOM 262 N TYR A 14 36.681 19.805 1.060 1.00 0.00 N ATOM 263 CA TYR A 14 35.348 20.260 1.436 1.00 0.00 C ATOM 264 C TYR A 14 34.356 19.101 1.439 1.00 0.00 C ATOM 265 O TYR A 14 33.439 19.054 2.260 1.00 0.00 O ATOM 266 CB TYR A 14 34.870 21.352 0.477 1.00 0.00 C ATOM 267 CG TYR A 14 35.030 22.752 1.025 1.00 0.00 C ATOM 268 CD1 TYR A 14 34.502 23.099 2.263 1.00 0.00 C ATOM 269 CD2 TYR A 14 35.708 23.728 0.306 1.00 0.00 C ATOM 270 CE1 TYR A 14 34.646 24.377 2.768 1.00 0.00 C ATOM 271 CE2 TYR A 14 35.858 25.008 0.803 1.00 0.00 C ATOM 272 CZ TYR A 14 35.325 25.328 2.034 1.00 0.00 C ATOM 273 OH TYR A 14 35.470 26.602 2.533 1.00 0.00 O ATOM 0 H TYR A 14 37.109 20.334 0.300 1.00 0.00 H new ATOM 0 HA TYR A 14 35.403 20.669 2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.425 21.271 -0.458 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.820 21.181 0.240 1.00 0.00 H new ATOM 0 HD1 TYR A 14 33.970 22.357 2.840 1.00 0.00 H new ATOM 0 HD2 TYR A 14 36.125 23.482 -0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 14 34.229 24.630 3.732 1.00 0.00 H new ATOM 0 HE2 TYR A 14 36.390 25.754 0.231 1.00 0.00 H new ATOM 0 HH TYR A 14 35.973 27.148 1.894 1.00 0.00 H new ATOM 283 N CYS A 15 34.547 18.166 0.514 1.00 0.00 N ATOM 284 CA CYS A 15 33.672 17.005 0.407 1.00 0.00 C ATOM 285 C CYS A 15 33.590 16.261 1.737 1.00 0.00 C ATOM 286 O CYS A 15 32.606 15.577 2.020 1.00 0.00 O ATOM 287 CB CYS A 15 34.173 16.061 -0.687 1.00 0.00 C ATOM 288 SG CYS A 15 34.135 16.778 -2.362 1.00 0.00 S ATOM 0 H CYS A 15 35.301 18.190 -0.173 1.00 0.00 H new ATOM 0 HA CYS A 15 32.674 17.357 0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 15 35.195 15.762 -0.454 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.566 15.156 -0.677 1.00 0.00 H new ATOM 293 N LYS A 16 34.631 16.400 2.551 1.00 0.00 N ATOM 294 CA LYS A 16 34.679 15.744 3.852 1.00 0.00 C ATOM 295 C LYS A 16 33.399 16.004 4.640 1.00 0.00 C ATOM 296 O LYS A 16 32.909 15.129 5.354 1.00 0.00 O ATOM 297 CB LYS A 16 35.890 16.233 4.650 1.00 0.00 C ATOM 298 CG LYS A 16 37.209 15.657 4.166 1.00 0.00 C ATOM 299 CD LYS A 16 38.393 16.364 4.805 1.00 0.00 C ATOM 300 CE LYS A 16 39.639 15.492 4.786 1.00 0.00 C ATOM 301 NZ LYS A 16 40.386 15.618 3.504 1.00 0.00 N ATOM 0 H LYS A 16 35.454 16.962 2.332 1.00 0.00 H new ATOM 0 HA LYS A 16 34.771 14.671 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.936 17.321 4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.752 15.973 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.250 14.593 4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.271 15.748 3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 16 38.591 17.296 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.148 16.629 5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 16 40.290 15.771 5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 16 39.356 14.451 4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 41.228 15.008 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.774 15.327 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 40.679 16.607 3.369 1.00 0.00 H new ATOM 315 N ARG A 17 32.862 17.213 4.505 1.00 0.00 N ATOM 316 CA ARG A 17 31.639 17.588 5.204 1.00 0.00 C ATOM 317 C ARG A 17 30.451 16.776 4.696 1.00 0.00 C ATOM 318 O ARG A 17 29.733 16.152 5.477 1.00 0.00 O ATOM 319 CB ARG A 17 31.362 19.082 5.026 1.00 0.00 C ATOM 320 CG ARG A 17 32.473 19.974 5.556 1.00 0.00 C ATOM 321 CD ARG A 17 32.209 20.400 6.992 1.00 0.00 C ATOM 322 NE ARG A 17 33.438 20.465 7.778 1.00 0.00 N ATOM 323 CZ ARG A 17 33.477 20.842 9.051 1.00 0.00 C ATOM 324 NH1 ARG A 17 32.360 21.185 9.679 1.00 0.00 N ATOM 325 NH2 ARG A 17 34.634 20.876 9.699 1.00 0.00 N ATOM 0 H ARG A 17 33.255 17.949 3.918 1.00 0.00 H new ATOM 0 HA ARG A 17 31.777 17.374 6.264 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.213 19.292 3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.431 19.334 5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 17 33.424 19.444 5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 17 32.564 20.858 4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 17 31.723 21.376 6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 17 31.518 19.697 7.457 1.00 0.00 H new ATOM 0 HE ARG A 17 34.314 20.207 7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 17 31.468 21.160 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 17 32.393 21.474 10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 17 35.495 20.612 9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 17 34.663 21.166 10.677 1.00 0.00 H new ATOM 339 N ALA A 18 30.250 16.790 3.382 1.00 0.00 N ATOM 340 CA ALA A 18 29.151 16.054 2.770 1.00 0.00 C ATOM 341 C ALA A 18 29.300 14.553 2.998 1.00 0.00 C ATOM 342 O ALA A 18 28.411 13.910 3.556 1.00 0.00 O ATOM 343 CB ALA A 18 29.077 16.358 1.281 1.00 0.00 C ATOM 0 H ALA A 18 30.834 17.303 2.721 1.00 0.00 H new ATOM 0 HA ALA A 18 28.223 16.376 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.252 15.802 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.915 17.426 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 18 30.012 16.065 0.803 1.00 0.00 H new ATOM 349 N ARG A 19 30.428 14.003 2.562 1.00 0.00 N ATOM 350 CA ARG A 19 30.692 12.577 2.717 1.00 0.00 C ATOM 351 C ARG A 19 30.487 12.141 4.165 1.00 0.00 C ATOM 352 O ARG A 19 30.023 11.032 4.430 1.00 0.00 O ATOM 353 CB ARG A 19 32.119 12.250 2.272 1.00 0.00 C ATOM 354 CG ARG A 19 33.183 12.697 3.261 1.00 0.00 C ATOM 355 CD ARG A 19 33.516 11.598 4.257 1.00 0.00 C ATOM 356 NE ARG A 19 34.706 10.847 3.867 1.00 0.00 N ATOM 357 CZ ARG A 19 35.225 9.863 4.593 1.00 0.00 C ATOM 358 NH1 ARG A 19 34.661 9.513 5.741 1.00 0.00 N ATOM 359 NH2 ARG A 19 36.310 9.227 4.171 1.00 0.00 N ATOM 0 H ARG A 19 31.174 14.522 2.099 1.00 0.00 H new ATOM 0 HA ARG A 19 29.988 12.032 2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 19 32.206 11.174 2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.308 12.724 1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 19 34.085 12.985 2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.836 13.581 3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 19 33.671 12.037 5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 19 32.669 10.917 4.342 1.00 0.00 H new ATOM 0 HE ARG A 19 35.164 11.091 2.989 1.00 0.00 H new ATOM 0 HH11 ARG A 19 33.827 10.000 6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 19 35.062 8.757 6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 19 36.746 9.493 3.288 1.00 0.00 H new ATOM 0 HH22 ARG A 19 36.708 8.472 4.729 1.00 0.00 H new ATOM 373 N ASP A 20 30.835 13.021 5.098 1.00 0.00 N ATOM 374 CA ASP A 20 30.689 12.727 6.519 1.00 0.00 C ATOM 375 C ASP A 20 29.217 12.705 6.920 1.00 0.00 C ATOM 376 O ASP A 20 28.790 11.863 7.711 1.00 0.00 O ATOM 377 CB ASP A 20 31.443 13.761 7.355 1.00 0.00 C ATOM 378 CG ASP A 20 31.149 13.633 8.837 1.00 0.00 C ATOM 379 OD1 ASP A 20 31.764 12.764 9.490 1.00 0.00 O ATOM 380 OD2 ASP A 20 30.304 14.400 9.343 1.00 0.00 O ATOM 0 H ASP A 20 31.220 13.944 4.896 1.00 0.00 H new ATOM 0 HA ASP A 20 31.113 11.741 6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.514 13.647 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 20 31.173 14.762 7.019 1.00 0.00 H new ATOM 385 N LEU A 21 28.446 13.638 6.372 1.00 0.00 N ATOM 386 CA LEU A 21 27.021 13.727 6.673 1.00 0.00 C ATOM 387 C LEU A 21 26.298 12.446 6.270 1.00 0.00 C ATOM 388 O LEU A 21 25.608 11.828 7.082 1.00 0.00 O ATOM 389 CB LEU A 21 26.401 14.925 5.951 1.00 0.00 C ATOM 390 CG LEU A 21 25.029 15.374 6.453 1.00 0.00 C ATOM 391 CD1 LEU A 21 24.963 16.891 6.541 1.00 0.00 C ATOM 392 CD2 LEU A 21 23.928 14.842 5.546 1.00 0.00 C ATOM 0 H LEU A 21 28.783 14.343 5.717 1.00 0.00 H new ATOM 0 HA LEU A 21 26.910 13.862 7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 21 27.088 15.767 6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.316 14.682 4.892 1.00 0.00 H new ATOM 0 HG LEU A 21 24.878 14.966 7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 21 23.979 17.192 6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 21 25.727 17.249 7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.136 17.321 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 21 22.958 15.172 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.075 15.220 4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 21 23.961 13.753 5.534 1.00 0.00 H new ATOM 404 N LEU A 22 26.463 12.050 5.013 1.00 0.00 N ATOM 405 CA LEU A 22 25.827 10.840 4.502 1.00 0.00 C ATOM 406 C LEU A 22 26.374 9.601 5.203 1.00 0.00 C ATOM 407 O LEU A 22 25.617 8.716 5.602 1.00 0.00 O ATOM 408 CB LEU A 22 26.044 10.725 2.992 1.00 0.00 C ATOM 409 CG LEU A 22 25.458 11.852 2.142 1.00 0.00 C ATOM 410 CD1 LEU A 22 24.348 12.568 2.896 1.00 0.00 C ATOM 411 CD2 LEU A 22 26.546 12.833 1.732 1.00 0.00 C ATOM 0 H LEU A 22 27.032 12.549 4.329 1.00 0.00 H new ATOM 0 HA LEU A 22 24.758 10.907 4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.116 10.674 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.615 9.782 2.654 1.00 0.00 H new ATOM 0 HG LEU A 22 25.032 11.415 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.943 13.367 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.556 11.859 3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 22 24.748 12.992 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 22 26.110 13.628 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 22 27.002 13.263 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.306 12.311 1.151 1.00 0.00 H new ATOM 423 N ASP A 23 27.693 9.544 5.349 1.00 0.00 N ATOM 424 CA ASP A 23 28.342 8.415 6.005 1.00 0.00 C ATOM 425 C ASP A 23 27.898 8.302 7.460 1.00 0.00 C ATOM 426 O ASP A 23 27.875 7.211 8.031 1.00 0.00 O ATOM 427 CB ASP A 23 29.863 8.561 5.933 1.00 0.00 C ATOM 428 CG ASP A 23 30.587 7.310 6.391 1.00 0.00 C ATOM 429 OD1 ASP A 23 30.740 7.128 7.616 1.00 0.00 O ATOM 430 OD2 ASP A 23 31.001 6.513 5.523 1.00 0.00 O ATOM 0 H ASP A 23 28.334 10.267 5.022 1.00 0.00 H new ATOM 0 HA ASP A 23 28.047 7.505 5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 23 30.155 8.792 4.908 1.00 0.00 H new ATOM 0 HB3 ASP A 23 30.174 9.404 6.550 1.00 0.00 H new ATOM 435 N LYS A 24 27.545 9.436 8.055 1.00 0.00 N ATOM 436 CA LYS A 24 27.100 9.466 9.443 1.00 0.00 C ATOM 437 C LYS A 24 25.659 8.983 9.563 1.00 0.00 C ATOM 438 O LYS A 24 25.311 8.258 10.496 1.00 0.00 O ATOM 439 CB LYS A 24 27.223 10.883 10.009 1.00 0.00 C ATOM 440 CG LYS A 24 28.562 11.159 10.671 1.00 0.00 C ATOM 441 CD LYS A 24 28.412 12.082 11.868 1.00 0.00 C ATOM 442 CE LYS A 24 29.738 12.284 12.586 1.00 0.00 C ATOM 443 NZ LYS A 24 29.974 11.240 13.621 1.00 0.00 N ATOM 0 H LYS A 24 27.558 10.347 7.597 1.00 0.00 H new ATOM 0 HA LYS A 24 27.738 8.795 10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.070 11.601 9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.427 11.045 10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.012 10.219 10.990 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.241 11.608 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 24 28.025 13.046 11.539 1.00 0.00 H new ATOM 0 HD3 LYS A 24 27.682 11.665 12.561 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.551 12.265 11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 24 29.751 13.268 13.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.887 11.413 14.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.212 11.274 14.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.987 10.302 13.172 1.00 0.00 H new ATOM 457 N LYS A 25 24.823 9.388 8.613 1.00 0.00 N ATOM 458 CA LYS A 25 23.419 8.994 8.610 1.00 0.00 C ATOM 459 C LYS A 25 23.269 7.515 8.271 1.00 0.00 C ATOM 460 O LYS A 25 22.352 6.848 8.748 1.00 0.00 O ATOM 461 CB LYS A 25 22.632 9.841 7.607 1.00 0.00 C ATOM 462 CG LYS A 25 21.513 10.649 8.238 1.00 0.00 C ATOM 463 CD LYS A 25 22.054 11.698 9.195 1.00 0.00 C ATOM 464 CE LYS A 25 21.074 11.981 10.324 1.00 0.00 C ATOM 465 NZ LYS A 25 20.736 13.428 10.416 1.00 0.00 N ATOM 0 H LYS A 25 25.094 9.989 7.835 1.00 0.00 H new ATOM 0 HA LYS A 25 23.019 9.161 9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.318 10.520 7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 25 22.210 9.187 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.929 11.135 7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.838 9.981 8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.002 11.358 9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 25 22.258 12.619 8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.162 11.405 10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.503 11.648 11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.229 13.848 11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.034 13.910 9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.709 13.538 10.539 1.00 0.00 H new ATOM 479 N GLY A 26 24.178 7.007 7.444 1.00 0.00 N ATOM 480 CA GLY A 26 24.129 5.609 7.056 1.00 0.00 C ATOM 481 C GLY A 26 23.502 5.408 5.691 1.00 0.00 C ATOM 482 O GLY A 26 22.543 4.650 5.546 1.00 0.00 O ATOM 0 H GLY A 26 24.947 7.538 7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 26 25.140 5.201 7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.562 5.049 7.799 1.00 0.00 H new ATOM 486 N VAL A 27 24.044 6.089 4.686 1.00 0.00 N ATOM 487 CA VAL A 27 23.531 5.982 3.325 1.00 0.00 C ATOM 488 C VAL A 27 24.664 5.784 2.325 1.00 0.00 C ATOM 489 O VAL A 27 25.841 5.866 2.678 1.00 0.00 O ATOM 490 CB VAL A 27 22.724 7.233 2.930 1.00 0.00 C ATOM 491 CG1 VAL A 27 21.278 7.101 3.384 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.363 8.485 3.511 1.00 0.00 C ATOM 0 H VAL A 27 24.838 6.721 4.789 1.00 0.00 H new ATOM 0 HA VAL A 27 22.874 5.113 3.301 1.00 0.00 H new ATOM 0 HB VAL A 27 22.731 7.321 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.723 7.994 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.827 6.227 2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.246 6.987 4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.780 9.359 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.389 8.409 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.379 8.585 3.130 1.00 0.00 H new ATOM 502 N LYS A 28 24.302 5.524 1.073 1.00 0.00 N ATOM 503 CA LYS A 28 25.288 5.316 0.019 1.00 0.00 C ATOM 504 C LYS A 28 25.269 6.470 -0.979 1.00 0.00 C ATOM 505 O LYS A 28 24.443 6.501 -1.891 1.00 0.00 O ATOM 506 CB LYS A 28 25.018 3.996 -0.707 1.00 0.00 C ATOM 507 CG LYS A 28 26.251 3.122 -0.858 1.00 0.00 C ATOM 508 CD LYS A 28 26.504 2.294 0.390 1.00 0.00 C ATOM 509 CE LYS A 28 26.750 0.832 0.048 1.00 0.00 C ATOM 510 NZ LYS A 28 28.023 0.332 0.636 1.00 0.00 N ATOM 0 H LYS A 28 23.333 5.452 0.764 1.00 0.00 H new ATOM 0 HA LYS A 28 26.274 5.274 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 28 24.254 3.441 -0.162 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.612 4.211 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 28 26.126 2.461 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 28 27.119 3.748 -1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 28 27.366 2.694 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 28 25.648 2.373 1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 28 25.919 0.229 0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 28 26.778 0.712 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 28.154 -0.667 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 28.819 0.891 0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 27.986 0.423 1.671 1.00 0.00 H new ATOM 524 N TYR A 29 26.184 7.416 -0.800 1.00 0.00 N ATOM 525 CA TYR A 29 26.272 8.572 -1.684 1.00 0.00 C ATOM 526 C TYR A 29 27.173 8.277 -2.879 1.00 0.00 C ATOM 527 O TYR A 29 28.218 7.639 -2.742 1.00 0.00 O ATOM 528 CB TYR A 29 26.801 9.786 -0.919 1.00 0.00 C ATOM 529 CG TYR A 29 28.236 9.639 -0.467 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.289 9.955 -1.317 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.540 9.182 0.810 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.602 9.821 -0.908 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.850 9.046 1.227 1.00 0.00 C ATOM 534 CZ TYR A 29 30.877 9.367 0.365 1.00 0.00 C ATOM 535 OH TYR A 29 32.183 9.231 0.776 1.00 0.00 O ATOM 0 H TYR A 29 26.876 7.405 -0.050 1.00 0.00 H new ATOM 0 HA TYR A 29 25.270 8.792 -2.053 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.717 10.669 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.170 9.958 -0.047 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.077 10.311 -2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.738 8.929 1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.409 10.070 -1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 29 30.068 8.690 2.223 1.00 0.00 H new ATOM 0 HH TYR A 29 32.203 8.902 1.699 1.00 0.00 H new ATOM 545 N THR A 30 26.762 8.747 -4.052 1.00 0.00 N ATOM 546 CA THR A 30 27.530 8.534 -5.273 1.00 0.00 C ATOM 547 C THR A 30 28.376 9.756 -5.609 1.00 0.00 C ATOM 548 O THR A 30 27.859 10.867 -5.732 1.00 0.00 O ATOM 549 CB THR A 30 26.611 8.215 -6.467 1.00 0.00 C ATOM 550 OG1 THR A 30 25.916 6.985 -6.235 1.00 0.00 O ATOM 551 CG2 THR A 30 27.413 8.116 -7.756 1.00 0.00 C ATOM 0 H THR A 30 25.901 9.278 -4.183 1.00 0.00 H new ATOM 0 HA THR A 30 28.184 7.681 -5.091 1.00 0.00 H new ATOM 0 HB THR A 30 25.889 9.026 -6.569 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.332 6.790 -6.998 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.743 7.890 -8.585 1.00 0.00 H new ATOM 0 HG22 THR A 30 27.917 9.064 -7.945 1.00 0.00 H new ATOM 0 HG23 THR A 30 28.155 7.323 -7.663 1.00 0.00 H new ATOM 559 N ASP A 31 29.679 9.545 -5.759 1.00 0.00 N ATOM 560 CA ASP A 31 30.598 10.630 -6.084 1.00 0.00 C ATOM 561 C ASP A 31 30.836 10.708 -7.589 1.00 0.00 C ATOM 562 O ASP A 31 31.219 9.721 -8.218 1.00 0.00 O ATOM 563 CB ASP A 31 31.927 10.438 -5.353 1.00 0.00 C ATOM 564 CG ASP A 31 32.719 9.262 -5.892 1.00 0.00 C ATOM 565 OD1 ASP A 31 32.307 8.109 -5.648 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.751 9.495 -6.556 1.00 0.00 O ATOM 0 H ASP A 31 30.123 8.632 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 31 30.146 11.566 -5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.523 11.346 -5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 31 31.736 10.287 -4.291 1.00 0.00 H new ATOM 571 N ILE A 32 30.607 11.886 -8.159 1.00 0.00 N ATOM 572 CA ILE A 32 30.797 12.091 -9.589 1.00 0.00 C ATOM 573 C ILE A 32 32.039 12.933 -9.863 1.00 0.00 C ATOM 574 O ILE A 32 32.145 14.070 -9.403 1.00 0.00 O ATOM 575 CB ILE A 32 29.575 12.777 -10.227 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.309 11.958 -9.966 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.792 12.965 -11.721 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.324 10.597 -10.624 1.00 0.00 C ATOM 0 H ILE A 32 30.290 12.713 -7.652 1.00 0.00 H new ATOM 0 HA ILE A 32 30.923 11.105 -10.035 1.00 0.00 H new ATOM 0 HB ILE A 32 29.450 13.759 -9.772 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.183 11.831 -8.891 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.444 12.516 -10.325 1.00 0.00 H new ATOM 0 HG21 ILE A 32 28.919 13.451 -12.157 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.673 13.585 -11.885 1.00 0.00 H new ATOM 0 HG23 ILE A 32 29.939 11.993 -12.192 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.396 10.073 -10.396 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.418 10.716 -11.703 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.169 10.020 -10.247 1.00 0.00 H new ATOM 590 N ASP A 33 32.975 12.368 -10.617 1.00 0.00 N ATOM 591 CA ASP A 33 34.209 13.067 -10.956 1.00 0.00 C ATOM 592 C ASP A 33 33.915 14.336 -11.750 1.00 0.00 C ATOM 593 O ASP A 33 33.003 14.365 -12.576 1.00 0.00 O ATOM 594 CB ASP A 33 35.135 12.152 -11.759 1.00 0.00 C ATOM 595 CG ASP A 33 35.964 11.244 -10.871 1.00 0.00 C ATOM 596 OD1 ASP A 33 36.157 11.588 -9.687 1.00 0.00 O ATOM 597 OD2 ASP A 33 36.420 10.189 -11.361 1.00 0.00 O ATOM 0 H ASP A 33 32.903 11.428 -11.005 1.00 0.00 H new ATOM 0 HA ASP A 33 34.705 13.348 -10.027 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.539 11.544 -12.440 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.799 12.760 -12.373 1.00 0.00 H new ATOM 602 N ALA A 34 34.692 15.383 -11.492 1.00 0.00 N ATOM 603 CA ALA A 34 34.515 16.654 -12.183 1.00 0.00 C ATOM 604 C ALA A 34 34.649 16.482 -13.692 1.00 0.00 C ATOM 605 O ALA A 34 34.191 17.323 -14.466 1.00 0.00 O ATOM 606 CB ALA A 34 35.521 17.676 -11.675 1.00 0.00 C ATOM 0 H ALA A 34 35.450 15.376 -10.810 1.00 0.00 H new ATOM 0 HA ALA A 34 33.509 17.016 -11.973 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.377 18.620 -12.200 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.375 17.829 -10.606 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.532 17.311 -11.855 1.00 0.00 H new ATOM 612 N SER A 35 35.282 15.388 -14.105 1.00 0.00 N ATOM 613 CA SER A 35 35.481 15.108 -15.522 1.00 0.00 C ATOM 614 C SER A 35 34.175 15.268 -16.295 1.00 0.00 C ATOM 615 O SER A 35 33.199 14.562 -16.042 1.00 0.00 O ATOM 616 CB SER A 35 36.030 13.693 -15.712 1.00 0.00 C ATOM 617 OG SER A 35 37.348 13.585 -15.203 1.00 0.00 O ATOM 0 H SER A 35 35.666 14.681 -13.478 1.00 0.00 H new ATOM 0 HA SER A 35 36.204 15.825 -15.911 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.382 12.977 -15.207 1.00 0.00 H new ATOM 0 HB3 SER A 35 36.024 13.436 -16.771 1.00 0.00 H new ATOM 0 HG SER A 35 37.676 12.671 -15.335 1.00 0.00 H new ATOM 623 N THR A 36 34.166 16.202 -17.241 1.00 0.00 N ATOM 624 CA THR A 36 32.981 16.456 -18.052 1.00 0.00 C ATOM 625 C THR A 36 32.625 15.241 -18.901 1.00 0.00 C ATOM 626 O THR A 36 31.473 15.067 -19.300 1.00 0.00 O ATOM 627 CB THR A 36 33.184 17.672 -18.976 1.00 0.00 C ATOM 628 OG1 THR A 36 34.193 17.384 -19.950 1.00 0.00 O ATOM 629 CG2 THR A 36 33.582 18.901 -18.173 1.00 0.00 C ATOM 0 H THR A 36 34.965 16.795 -17.464 1.00 0.00 H new ATOM 0 HA THR A 36 32.164 16.665 -17.362 1.00 0.00 H new ATOM 0 HB THR A 36 32.241 17.878 -19.482 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.315 18.161 -20.534 1.00 0.00 H new ATOM 0 HG21 THR A 36 33.720 19.747 -18.847 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.798 19.135 -17.453 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.514 18.703 -17.643 1.00 0.00 H new ATOM 637 N SER A 37 33.619 14.402 -19.173 1.00 0.00 N ATOM 638 CA SER A 37 33.411 13.204 -19.977 1.00 0.00 C ATOM 639 C SER A 37 32.212 12.410 -19.468 1.00 0.00 C ATOM 640 O SER A 37 31.514 11.752 -20.241 1.00 0.00 O ATOM 641 CB SER A 37 34.664 12.327 -19.959 1.00 0.00 C ATOM 642 OG SER A 37 35.662 12.845 -20.820 1.00 0.00 O ATOM 0 H SER A 37 34.577 14.530 -18.848 1.00 0.00 H new ATOM 0 HA SER A 37 33.210 13.515 -21.002 1.00 0.00 H new ATOM 0 HB2 SER A 37 35.053 12.264 -18.943 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.406 11.313 -20.265 1.00 0.00 H new ATOM 0 HG SER A 37 36.453 12.267 -20.789 1.00 0.00 H new ATOM 648 N LEU A 38 31.979 12.476 -18.162 1.00 0.00 N ATOM 649 CA LEU A 38 30.864 11.763 -17.547 1.00 0.00 C ATOM 650 C LEU A 38 29.966 12.722 -16.771 1.00 0.00 C ATOM 651 O LEU A 38 28.747 12.554 -16.736 1.00 0.00 O ATOM 652 CB LEU A 38 31.386 10.668 -16.614 1.00 0.00 C ATOM 653 CG LEU A 38 32.401 9.698 -17.220 1.00 0.00 C ATOM 654 CD1 LEU A 38 33.081 8.887 -16.128 1.00 0.00 C ATOM 655 CD2 LEU A 38 31.724 8.778 -18.226 1.00 0.00 C ATOM 0 H LEU A 38 32.547 13.015 -17.508 1.00 0.00 H new ATOM 0 HA LEU A 38 30.275 11.305 -18.342 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.842 11.145 -15.746 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.535 10.092 -16.251 1.00 0.00 H new ATOM 0 HG LEU A 38 33.162 10.278 -17.742 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.800 8.202 -16.578 1.00 0.00 H new ATOM 0 HD12 LEU A 38 33.599 9.560 -15.444 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.332 8.317 -15.578 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.461 8.094 -18.647 1.00 0.00 H new ATOM 0 HD22 LEU A 38 30.942 8.206 -17.727 1.00 0.00 H new ATOM 0 HD23 LEU A 38 31.283 9.374 -19.025 1.00 0.00 H new ATOM 667 N ARG A 39 30.577 13.728 -16.154 1.00 0.00 N ATOM 668 CA ARG A 39 29.832 14.714 -15.381 1.00 0.00 C ATOM 669 C ARG A 39 28.848 15.470 -16.268 1.00 0.00 C ATOM 670 O ARG A 39 27.721 15.751 -15.861 1.00 0.00 O ATOM 671 CB ARG A 39 30.793 15.699 -14.712 1.00 0.00 C ATOM 672 CG ARG A 39 30.109 16.661 -13.754 1.00 0.00 C ATOM 673 CD ARG A 39 29.757 17.973 -14.438 1.00 0.00 C ATOM 674 NE ARG A 39 30.941 18.655 -14.955 1.00 0.00 N ATOM 675 CZ ARG A 39 31.857 19.225 -14.181 1.00 0.00 C ATOM 676 NH1 ARG A 39 31.727 19.195 -12.861 1.00 0.00 N ATOM 677 NH2 ARG A 39 32.907 19.827 -14.725 1.00 0.00 N ATOM 0 H ARG A 39 31.585 13.882 -16.174 1.00 0.00 H new ATOM 0 HA ARG A 39 29.269 14.186 -14.612 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.554 15.139 -14.169 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.308 16.272 -15.483 1.00 0.00 H new ATOM 0 HG2 ARG A 39 29.203 16.201 -13.360 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.763 16.857 -12.904 1.00 0.00 H new ATOM 0 HD2 ARG A 39 29.063 17.781 -15.256 1.00 0.00 H new ATOM 0 HD3 ARG A 39 29.243 18.624 -13.731 1.00 0.00 H new ATOM 0 HE ARG A 39 31.071 18.696 -15.966 1.00 0.00 H new ATOM 0 HH11 ARG A 39 30.922 18.733 -12.438 1.00 0.00 H new ATOM 0 HH12 ARG A 39 32.432 19.634 -12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 39 33.011 19.852 -15.739 1.00 0.00 H new ATOM 0 HH22 ARG A 39 33.610 20.264 -14.129 1.00 0.00 H new ATOM 691 N GLN A 40 29.282 15.797 -17.481 1.00 0.00 N ATOM 692 CA GLN A 40 28.439 16.521 -18.424 1.00 0.00 C ATOM 693 C GLN A 40 27.189 15.717 -18.767 1.00 0.00 C ATOM 694 O GLN A 40 26.094 16.268 -18.871 1.00 0.00 O ATOM 695 CB GLN A 40 29.221 16.839 -19.700 1.00 0.00 C ATOM 696 CG GLN A 40 28.584 17.928 -20.548 1.00 0.00 C ATOM 697 CD GLN A 40 28.719 19.305 -19.928 1.00 0.00 C ATOM 698 OE1 GLN A 40 29.692 20.018 -20.177 1.00 0.00 O ATOM 699 NE2 GLN A 40 27.740 19.687 -19.116 1.00 0.00 N ATOM 0 H GLN A 40 30.212 15.572 -17.833 1.00 0.00 H new ATOM 0 HA GLN A 40 28.130 17.454 -17.953 1.00 0.00 H new ATOM 0 HB2 GLN A 40 30.232 17.145 -19.430 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.311 15.931 -20.297 1.00 0.00 H new ATOM 0 HG2 GLN A 40 29.046 17.931 -21.535 1.00 0.00 H new ATOM 0 HG3 GLN A 40 27.528 17.700 -20.691 1.00 0.00 H new ATOM 0 HE21 GLN A 40 26.952 19.064 -18.938 1.00 0.00 H new ATOM 0 HE22 GLN A 40 27.776 20.604 -18.670 1.00 0.00 H new ATOM 708 N GLU A 41 27.362 14.410 -18.941 1.00 0.00 N ATOM 709 CA GLU A 41 26.248 13.531 -19.273 1.00 0.00 C ATOM 710 C GLU A 41 25.265 13.434 -18.109 1.00 0.00 C ATOM 711 O GLU A 41 24.059 13.597 -18.287 1.00 0.00 O ATOM 712 CB GLU A 41 26.761 12.136 -19.639 1.00 0.00 C ATOM 713 CG GLU A 41 28.001 12.155 -20.516 1.00 0.00 C ATOM 714 CD GLU A 41 27.838 13.037 -21.738 1.00 0.00 C ATOM 715 OE1 GLU A 41 26.741 13.029 -22.335 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.809 13.736 -22.099 1.00 0.00 O ATOM 0 H GLU A 41 28.262 13.938 -18.858 1.00 0.00 H new ATOM 0 HA GLU A 41 25.727 13.956 -20.131 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.982 11.588 -18.723 1.00 0.00 H new ATOM 0 HB3 GLU A 41 25.970 11.591 -20.154 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.850 12.506 -19.930 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.232 11.138 -20.835 1.00 0.00 H new ATOM 723 N MET A 42 25.792 13.166 -16.919 1.00 0.00 N ATOM 724 CA MET A 42 24.962 13.048 -15.726 1.00 0.00 C ATOM 725 C MET A 42 24.263 14.368 -15.416 1.00 0.00 C ATOM 726 O MET A 42 23.045 14.412 -15.243 1.00 0.00 O ATOM 727 CB MET A 42 25.811 12.615 -14.529 1.00 0.00 C ATOM 728 CG MET A 42 25.809 11.113 -14.295 1.00 0.00 C ATOM 729 SD MET A 42 26.905 10.232 -15.423 1.00 0.00 S ATOM 730 CE MET A 42 28.355 10.022 -14.392 1.00 0.00 C ATOM 0 H MET A 42 26.789 13.027 -16.755 1.00 0.00 H new ATOM 0 HA MET A 42 24.202 12.291 -15.917 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.837 12.949 -14.682 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.443 13.115 -13.633 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.111 10.909 -13.268 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.794 10.733 -14.410 1.00 0.00 H new ATOM 0 HE1 MET A 42 29.054 9.343 -14.881 1.00 0.00 H new ATOM 0 HE2 MET A 42 28.835 10.988 -14.238 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.059 9.607 -13.429 1.00 0.00 H new ATOM 740 N VAL A 43 25.042 15.444 -15.348 1.00 0.00 N ATOM 741 CA VAL A 43 24.498 16.765 -15.061 1.00 0.00 C ATOM 742 C VAL A 43 23.479 17.181 -16.116 1.00 0.00 C ATOM 743 O VAL A 43 22.524 17.899 -15.820 1.00 0.00 O ATOM 744 CB VAL A 43 25.611 17.828 -14.991 1.00 0.00 C ATOM 745 CG1 VAL A 43 26.113 18.167 -16.386 1.00 0.00 C ATOM 746 CG2 VAL A 43 25.112 19.075 -14.276 1.00 0.00 C ATOM 0 H VAL A 43 26.052 15.426 -15.488 1.00 0.00 H new ATOM 0 HA VAL A 43 24.006 16.700 -14.090 1.00 0.00 H new ATOM 0 HB VAL A 43 26.445 17.420 -14.420 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.899 18.919 -16.317 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.511 17.269 -16.858 1.00 0.00 H new ATOM 0 HG13 VAL A 43 25.289 18.556 -16.984 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.911 19.815 -14.236 1.00 0.00 H new ATOM 0 HG22 VAL A 43 24.261 19.489 -14.817 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.806 18.815 -13.262 1.00 0.00 H new ATOM 756 N GLN A 44 23.689 16.724 -17.346 1.00 0.00 N ATOM 757 CA GLN A 44 22.787 17.049 -18.445 1.00 0.00 C ATOM 758 C GLN A 44 21.430 16.382 -18.251 1.00 0.00 C ATOM 759 O GLN A 44 20.389 17.034 -18.340 1.00 0.00 O ATOM 760 CB GLN A 44 23.397 16.613 -19.778 1.00 0.00 C ATOM 761 CG GLN A 44 22.363 16.295 -20.846 1.00 0.00 C ATOM 762 CD GLN A 44 22.868 16.568 -22.249 1.00 0.00 C ATOM 763 OE1 GLN A 44 24.020 16.958 -22.441 1.00 0.00 O ATOM 764 NE2 GLN A 44 22.007 16.363 -23.239 1.00 0.00 N ATOM 0 H GLN A 44 24.475 16.128 -17.607 1.00 0.00 H new ATOM 0 HA GLN A 44 22.642 18.129 -18.456 1.00 0.00 H new ATOM 0 HB2 GLN A 44 24.053 17.403 -20.143 1.00 0.00 H new ATOM 0 HB3 GLN A 44 24.019 15.733 -19.613 1.00 0.00 H new ATOM 0 HG2 GLN A 44 22.074 15.247 -20.766 1.00 0.00 H new ATOM 0 HG3 GLN A 44 21.466 16.887 -20.665 1.00 0.00 H new ATOM 0 HE21 GLN A 44 21.062 16.039 -23.034 1.00 0.00 H new ATOM 0 HE22 GLN A 44 22.291 16.529 -24.204 1.00 0.00 H new ATOM 773 N ARG A 45 21.448 15.080 -17.987 1.00 0.00 N ATOM 774 CA ARG A 45 20.218 14.325 -17.783 1.00 0.00 C ATOM 775 C ARG A 45 19.652 14.574 -16.387 1.00 0.00 C ATOM 776 O ARG A 45 18.530 14.174 -16.081 1.00 0.00 O ATOM 777 CB ARG A 45 20.473 12.830 -17.981 1.00 0.00 C ATOM 778 CG ARG A 45 19.206 12.019 -18.198 1.00 0.00 C ATOM 779 CD ARG A 45 19.519 10.551 -18.444 1.00 0.00 C ATOM 780 NE ARG A 45 18.307 9.743 -18.544 1.00 0.00 N ATOM 781 CZ ARG A 45 18.265 8.550 -19.129 1.00 0.00 C ATOM 782 NH1 ARG A 45 19.362 8.031 -19.663 1.00 0.00 N ATOM 783 NH2 ARG A 45 17.124 7.875 -19.179 1.00 0.00 N ATOM 0 H ARG A 45 22.301 14.526 -17.909 1.00 0.00 H new ATOM 0 HA ARG A 45 19.488 14.663 -18.519 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.133 12.693 -18.838 1.00 0.00 H new ATOM 0 HB3 ARG A 45 20.998 12.441 -17.109 1.00 0.00 H new ATOM 0 HG2 ARG A 45 18.559 12.113 -17.326 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.656 12.422 -19.048 1.00 0.00 H new ATOM 0 HD2 ARG A 45 20.097 10.453 -19.363 1.00 0.00 H new ATOM 0 HD3 ARG A 45 20.142 10.172 -17.633 1.00 0.00 H new ATOM 0 HE ARG A 45 17.446 10.114 -18.143 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.241 8.547 -19.626 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.327 7.115 -20.111 1.00 0.00 H new ATOM 0 HH21 ARG A 45 16.279 8.271 -18.769 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.092 6.960 -19.628 1.00 0.00 H new ATOM 797 N ALA A 46 20.438 15.239 -15.546 1.00 0.00 N ATOM 798 CA ALA A 46 20.015 15.543 -14.185 1.00 0.00 C ATOM 799 C ALA A 46 19.230 16.849 -14.133 1.00 0.00 C ATOM 800 O ALA A 46 18.226 16.953 -13.430 1.00 0.00 O ATOM 801 CB ALA A 46 21.222 15.613 -13.261 1.00 0.00 C ATOM 0 H ALA A 46 21.371 15.577 -15.784 1.00 0.00 H new ATOM 0 HA ALA A 46 19.358 14.741 -13.847 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.892 15.841 -12.248 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.741 14.654 -13.267 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.899 16.394 -13.606 1.00 0.00 H new ATOM 807 N ASN A 47 19.696 17.844 -14.881 1.00 0.00 N ATOM 808 CA ASN A 47 19.037 19.145 -14.918 1.00 0.00 C ATOM 809 C ASN A 47 18.796 19.591 -16.357 1.00 0.00 C ATOM 810 O ASN A 47 17.755 20.164 -16.674 1.00 0.00 O ATOM 811 CB ASN A 47 19.881 20.188 -14.183 1.00 0.00 C ATOM 812 CG ASN A 47 21.361 19.855 -14.205 1.00 0.00 C ATOM 813 OD1 ASN A 47 22.131 20.631 -14.959 1.00 0.00 O flip ATOM 814 ND2 ASN A 47 21.805 18.912 -13.550 1.00 0.00 N flip ATOM 0 H ASN A 47 20.526 17.775 -15.469 1.00 0.00 H new ATOM 0 HA ASN A 47 18.072 19.051 -14.419 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.725 21.165 -14.640 1.00 0.00 H new ATOM 0 HB3 ASN A 47 19.543 20.262 -13.149 1.00 0.00 H new ATOM 0 HD21 ASN A 47 21.175 18.343 -12.984 1.00 0.00 H new ATOM 0 HD22 ASN A 47 22.802 18.700 -13.573 1.00 0.00 H new ATOM 821 N GLY A 48 19.768 19.324 -17.225 1.00 0.00 N ATOM 822 CA GLY A 48 19.642 19.704 -18.619 1.00 0.00 C ATOM 823 C GLY A 48 19.893 21.182 -18.842 1.00 0.00 C ATOM 824 O GLY A 48 19.391 21.766 -19.803 1.00 0.00 O ATOM 0 H GLY A 48 20.640 18.851 -16.987 1.00 0.00 H new ATOM 0 HA2 GLY A 48 20.347 19.125 -19.215 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.642 19.451 -18.972 1.00 0.00 H new ATOM 828 N ARG A 49 20.671 21.789 -17.952 1.00 0.00 N ATOM 829 CA ARG A 49 20.985 23.209 -18.055 1.00 0.00 C ATOM 830 C ARG A 49 22.488 23.424 -18.211 1.00 0.00 C ATOM 831 O ARG A 49 22.935 24.511 -18.573 1.00 0.00 O ATOM 832 CB ARG A 49 20.478 23.956 -16.820 1.00 0.00 C ATOM 833 CG ARG A 49 20.493 25.468 -16.974 1.00 0.00 C ATOM 834 CD ARG A 49 19.568 26.140 -15.970 1.00 0.00 C ATOM 835 NE ARG A 49 20.003 25.921 -14.593 1.00 0.00 N ATOM 836 CZ ARG A 49 19.459 26.529 -13.545 1.00 0.00 C ATOM 837 NH1 ARG A 49 18.464 27.388 -13.716 1.00 0.00 N ATOM 838 NH2 ARG A 49 19.910 26.277 -12.323 1.00 0.00 N ATOM 0 H ARG A 49 21.095 21.320 -17.152 1.00 0.00 H new ATOM 0 HA ARG A 49 20.485 23.602 -18.940 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.461 23.632 -16.602 1.00 0.00 H new ATOM 0 HB3 ARG A 49 21.091 23.681 -15.962 1.00 0.00 H new ATOM 0 HG2 ARG A 49 21.509 25.838 -16.839 1.00 0.00 H new ATOM 0 HG3 ARG A 49 20.189 25.735 -17.986 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.530 27.210 -16.172 1.00 0.00 H new ATOM 0 HD3 ARG A 49 18.556 25.756 -16.096 1.00 0.00 H new ATOM 0 HE ARG A 49 20.766 25.265 -14.427 1.00 0.00 H new ATOM 0 HH11 ARG A 49 18.114 27.583 -14.654 1.00 0.00 H new ATOM 0 HH12 ARG A 49 18.048 27.854 -12.909 1.00 0.00 H new ATOM 0 HH21 ARG A 49 20.675 25.616 -12.188 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.492 26.744 -11.519 1.00 0.00 H new ATOM 852 N ASN A 50 23.261 22.379 -17.933 1.00 0.00 N ATOM 853 CA ASN A 50 24.714 22.454 -18.042 1.00 0.00 C ATOM 854 C ASN A 50 25.254 23.662 -17.284 1.00 0.00 C ATOM 855 O ASN A 50 25.385 24.752 -17.843 1.00 0.00 O ATOM 856 CB ASN A 50 25.133 22.529 -19.511 1.00 0.00 C ATOM 857 CG ASN A 50 24.572 21.384 -20.332 1.00 0.00 C ATOM 858 OD1 ASN A 50 23.997 20.440 -19.790 1.00 0.00 O ATOM 859 ND2 ASN A 50 24.738 21.462 -21.647 1.00 0.00 N ATOM 0 H ASN A 50 22.906 21.472 -17.631 1.00 0.00 H new ATOM 0 HA ASN A 50 25.134 21.552 -17.598 1.00 0.00 H new ATOM 0 HB2 ASN A 50 24.796 23.475 -19.934 1.00 0.00 H new ATOM 0 HB3 ASN A 50 26.221 22.520 -19.576 1.00 0.00 H new ATOM 0 HD21 ASN A 50 24.382 20.721 -22.251 1.00 0.00 H new ATOM 0 HD22 ASN A 50 25.221 22.263 -22.053 1.00 0.00 H new ATOM 866 N THR A 51 25.568 23.462 -16.008 1.00 0.00 N ATOM 867 CA THR A 51 26.095 24.535 -15.173 1.00 0.00 C ATOM 868 C THR A 51 27.217 24.031 -14.273 1.00 0.00 C ATOM 869 O THR A 51 27.694 22.906 -14.429 1.00 0.00 O ATOM 870 CB THR A 51 24.991 25.158 -14.298 1.00 0.00 C ATOM 871 OG1 THR A 51 23.703 24.730 -14.754 1.00 0.00 O ATOM 872 CG2 THR A 51 25.068 26.677 -14.331 1.00 0.00 C ATOM 0 H THR A 51 25.467 22.567 -15.530 1.00 0.00 H new ATOM 0 HA THR A 51 26.488 25.296 -15.847 1.00 0.00 H new ATOM 0 HB THR A 51 25.140 24.824 -13.271 1.00 0.00 H new ATOM 0 HG1 THR A 51 23.007 25.129 -14.191 1.00 0.00 H new ATOM 0 HG21 THR A 51 24.279 27.095 -13.706 1.00 0.00 H new ATOM 0 HG22 THR A 51 26.039 27.000 -13.955 1.00 0.00 H new ATOM 0 HG23 THR A 51 24.942 27.026 -15.356 1.00 0.00 H new ATOM 880 N PHE A 52 27.635 24.869 -13.330 1.00 0.00 N ATOM 881 CA PHE A 52 28.703 24.507 -12.405 1.00 0.00 C ATOM 882 C PHE A 52 28.323 23.273 -11.592 1.00 0.00 C ATOM 883 O PHE A 52 27.151 22.918 -11.465 1.00 0.00 O ATOM 884 CB PHE A 52 29.009 25.676 -11.466 1.00 0.00 C ATOM 885 CG PHE A 52 29.909 26.713 -12.074 1.00 0.00 C ATOM 886 CD1 PHE A 52 31.286 26.558 -12.046 1.00 0.00 C ATOM 887 CD2 PHE A 52 29.379 27.844 -12.673 1.00 0.00 C ATOM 888 CE1 PHE A 52 32.117 27.510 -12.605 1.00 0.00 C ATOM 889 CE2 PHE A 52 30.205 28.800 -13.234 1.00 0.00 C ATOM 890 CZ PHE A 52 31.576 28.633 -13.199 1.00 0.00 C ATOM 0 H PHE A 52 27.251 25.803 -13.186 1.00 0.00 H new ATOM 0 HA PHE A 52 29.594 24.275 -12.989 1.00 0.00 H new ATOM 0 HB2 PHE A 52 28.072 26.148 -11.169 1.00 0.00 H new ATOM 0 HB3 PHE A 52 29.473 25.291 -10.558 1.00 0.00 H new ATOM 0 HD1 PHE A 52 31.715 25.682 -11.582 1.00 0.00 H new ATOM 0 HD2 PHE A 52 28.308 27.980 -12.702 1.00 0.00 H new ATOM 0 HE1 PHE A 52 33.188 27.376 -12.577 1.00 0.00 H new ATOM 0 HE2 PHE A 52 29.779 29.677 -13.699 1.00 0.00 H new ATOM 0 HZ PHE A 52 32.223 29.379 -13.635 1.00 0.00 H new ATOM 900 N PRO A 53 29.338 22.602 -11.028 1.00 0.00 N ATOM 901 CA PRO A 53 29.137 21.397 -10.217 1.00 0.00 C ATOM 902 C PRO A 53 28.467 21.702 -8.882 1.00 0.00 C ATOM 903 O PRO A 53 28.540 22.825 -8.383 1.00 0.00 O ATOM 904 CB PRO A 53 30.559 20.877 -9.996 1.00 0.00 C ATOM 905 CG PRO A 53 31.427 22.081 -10.122 1.00 0.00 C ATOM 906 CD PRO A 53 30.760 22.968 -11.137 1.00 0.00 C ATOM 0 HA PRO A 53 28.478 20.680 -10.708 1.00 0.00 H new ATOM 0 HB2 PRO A 53 30.663 20.415 -9.014 1.00 0.00 H new ATOM 0 HB3 PRO A 53 30.823 20.120 -10.734 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.528 22.591 -9.164 1.00 0.00 H new ATOM 0 HG3 PRO A 53 32.431 21.806 -10.444 1.00 0.00 H new ATOM 0 HD2 PRO A 53 30.921 24.023 -10.916 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.145 22.790 -12.141 1.00 0.00 H new ATOM 914 N GLN A 54 27.815 20.695 -8.308 1.00 0.00 N ATOM 915 CA GLN A 54 27.132 20.858 -7.030 1.00 0.00 C ATOM 916 C GLN A 54 26.679 19.509 -6.481 1.00 0.00 C ATOM 917 O GLN A 54 26.914 18.468 -7.093 1.00 0.00 O ATOM 918 CB GLN A 54 25.929 21.790 -7.186 1.00 0.00 C ATOM 919 CG GLN A 54 24.694 21.101 -7.743 1.00 0.00 C ATOM 920 CD GLN A 54 25.014 20.176 -8.901 1.00 0.00 C ATOM 921 OE1 GLN A 54 25.565 20.602 -9.917 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.671 18.902 -8.755 1.00 0.00 N ATOM 0 H GLN A 54 27.746 19.759 -8.707 1.00 0.00 H new ATOM 0 HA GLN A 54 27.835 21.300 -6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.687 22.223 -6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.202 22.615 -7.844 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.212 20.530 -6.949 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.979 21.855 -8.072 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.216 18.591 -7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 54 24.862 18.234 -9.501 1.00 0.00 H new ATOM 931 N ILE A 55 26.028 19.537 -5.322 1.00 0.00 N ATOM 932 CA ILE A 55 25.541 18.317 -4.691 1.00 0.00 C ATOM 933 C ILE A 55 24.088 18.046 -5.066 1.00 0.00 C ATOM 934 O ILE A 55 23.205 18.862 -4.802 1.00 0.00 O ATOM 935 CB ILE A 55 25.658 18.391 -3.157 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.128 18.470 -2.739 1.00 0.00 C ATOM 937 CG2 ILE A 55 24.984 17.188 -2.516 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.705 19.866 -2.822 1.00 0.00 C ATOM 0 H ILE A 55 25.826 20.391 -4.802 1.00 0.00 H new ATOM 0 HA ILE A 55 26.166 17.502 -5.056 1.00 0.00 H new ATOM 0 HB ILE A 55 25.152 19.293 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.227 18.105 -1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 55 27.714 17.805 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.075 17.255 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 55 23.929 17.172 -2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.464 16.273 -2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.750 19.847 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.638 20.227 -3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 55 27.144 20.531 -2.166 1.00 0.00 H new ATOM 950 N PHE A 56 23.847 16.893 -5.683 1.00 0.00 N ATOM 951 CA PHE A 56 22.501 16.513 -6.094 1.00 0.00 C ATOM 952 C PHE A 56 21.836 15.636 -5.037 1.00 0.00 C ATOM 953 O PHE A 56 22.512 14.929 -4.288 1.00 0.00 O ATOM 954 CB PHE A 56 22.543 15.775 -7.433 1.00 0.00 C ATOM 955 CG PHE A 56 21.692 16.410 -8.495 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.310 16.379 -8.405 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.275 17.037 -9.585 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.524 16.963 -9.380 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.494 17.623 -10.563 1.00 0.00 C ATOM 960 CZ PHE A 56 20.117 17.585 -10.462 1.00 0.00 C ATOM 0 H PHE A 56 24.567 16.206 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 56 21.912 17.423 -6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.574 15.732 -7.783 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.215 14.747 -7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 56 19.841 15.892 -7.562 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.351 17.068 -9.671 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.448 16.933 -9.296 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.960 18.111 -11.406 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.505 18.040 -11.227 1.00 0.00 H new ATOM 970 N ILE A 57 20.510 15.688 -4.982 1.00 0.00 N ATOM 971 CA ILE A 57 19.754 14.898 -4.018 1.00 0.00 C ATOM 972 C ILE A 57 18.387 14.513 -4.574 1.00 0.00 C ATOM 973 O ILE A 57 17.479 15.340 -4.644 1.00 0.00 O ATOM 974 CB ILE A 57 19.562 15.659 -2.694 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.017 17.064 -2.962 1.00 0.00 C ATOM 976 CG2 ILE A 57 20.875 15.732 -1.929 1.00 0.00 C ATOM 977 CD1 ILE A 57 17.790 17.402 -2.145 1.00 0.00 C ATOM 0 H ILE A 57 19.937 16.269 -5.594 1.00 0.00 H new ATOM 0 HA ILE A 57 20.333 13.994 -3.827 1.00 0.00 H new ATOM 0 HB ILE A 57 18.838 15.119 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.798 17.794 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.775 17.155 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 57 20.722 16.273 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.225 14.723 -1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.619 16.252 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 57 17.459 18.412 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 57 16.993 16.694 -2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.032 17.344 -1.084 1.00 0.00 H new ATOM 989 N GLY A 58 18.247 13.251 -4.967 1.00 0.00 N ATOM 990 CA GLY A 58 16.987 12.778 -5.510 1.00 0.00 C ATOM 991 C GLY A 58 16.649 13.425 -6.838 1.00 0.00 C ATOM 992 O GLY A 58 16.979 12.893 -7.898 1.00 0.00 O ATOM 0 H GLY A 58 18.984 12.547 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.033 11.696 -5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.188 12.981 -4.797 1.00 0.00 H new ATOM 996 N ASP A 59 15.987 14.576 -6.782 1.00 0.00 N ATOM 997 CA ASP A 59 15.603 15.297 -7.990 1.00 0.00 C ATOM 998 C ASP A 59 15.839 16.795 -7.827 1.00 0.00 C ATOM 999 O ASP A 59 15.257 17.607 -8.547 1.00 0.00 O ATOM 1000 CB ASP A 59 14.133 15.032 -8.321 1.00 0.00 C ATOM 1001 CG ASP A 59 13.792 15.381 -9.757 1.00 0.00 C ATOM 1002 OD1 ASP A 59 14.592 15.044 -10.655 1.00 0.00 O ATOM 1003 OD2 ASP A 59 12.725 15.991 -9.982 1.00 0.00 O ATOM 0 H ASP A 59 15.705 15.029 -5.913 1.00 0.00 H new ATOM 0 HA ASP A 59 16.223 14.938 -8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.907 13.981 -8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.502 15.613 -7.649 1.00 0.00 H new ATOM 1008 N TYR A 60 16.694 17.154 -6.876 1.00 0.00 N ATOM 1009 CA TYR A 60 17.004 18.554 -6.616 1.00 0.00 C ATOM 1010 C TYR A 60 18.512 18.771 -6.527 1.00 0.00 C ATOM 1011 O TYR A 60 19.255 17.882 -6.110 1.00 0.00 O ATOM 1012 CB TYR A 60 16.334 19.015 -5.321 1.00 0.00 C ATOM 1013 CG TYR A 60 16.799 20.374 -4.849 1.00 0.00 C ATOM 1014 CD1 TYR A 60 16.258 21.538 -5.380 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.780 20.495 -3.872 1.00 0.00 C ATOM 1016 CE1 TYR A 60 16.680 22.782 -4.952 1.00 0.00 C ATOM 1017 CE2 TYR A 60 18.207 21.734 -3.438 1.00 0.00 C ATOM 1018 CZ TYR A 60 17.654 22.875 -3.981 1.00 0.00 C ATOM 1019 OH TYR A 60 18.078 24.112 -3.552 1.00 0.00 O ATOM 0 H TYR A 60 17.185 16.494 -6.272 1.00 0.00 H new ATOM 0 HA TYR A 60 16.618 19.145 -7.447 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.255 19.041 -5.470 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.530 18.281 -4.539 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.494 21.469 -6.141 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.216 19.604 -3.445 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.249 23.677 -5.376 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.970 21.809 -2.677 1.00 0.00 H new ATOM 0 HH TYR A 60 18.767 24.001 -2.864 1.00 0.00 H new ATOM 1029 N HIS A 61 18.957 19.960 -6.923 1.00 0.00 N ATOM 1030 CA HIS A 61 20.376 20.295 -6.887 1.00 0.00 C ATOM 1031 C HIS A 61 20.659 21.347 -5.818 1.00 0.00 C ATOM 1032 O HIS A 61 20.189 22.481 -5.909 1.00 0.00 O ATOM 1033 CB HIS A 61 20.836 20.804 -8.254 1.00 0.00 C ATOM 1034 CG HIS A 61 19.973 21.896 -8.808 1.00 0.00 C ATOM 1035 ND1 HIS A 61 18.758 21.659 -9.417 1.00 0.00 N ATOM 1036 CD2 HIS A 61 20.154 23.237 -8.841 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.231 22.807 -9.802 1.00 0.00 C ATOM 1038 NE2 HIS A 61 19.057 23.780 -9.464 1.00 0.00 N ATOM 0 H HIS A 61 18.356 20.706 -7.272 1.00 0.00 H new ATOM 0 HA HIS A 61 20.932 19.391 -6.638 1.00 0.00 H new ATOM 0 HB2 HIS A 61 21.860 21.168 -8.171 1.00 0.00 H new ATOM 0 HB3 HIS A 61 20.850 19.971 -8.957 1.00 0.00 H new ATOM 0 HD2 HIS A 61 21.003 23.779 -8.450 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.285 22.929 -10.308 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.905 24.774 -9.637 1.00 0.00 H new ATOM 1046 N VAL A 62 21.429 20.962 -4.806 1.00 0.00 N ATOM 1047 CA VAL A 62 21.774 21.871 -3.719 1.00 0.00 C ATOM 1048 C VAL A 62 22.412 23.148 -4.254 1.00 0.00 C ATOM 1049 O VAL A 62 21.790 24.210 -4.259 1.00 0.00 O ATOM 1050 CB VAL A 62 22.739 21.208 -2.718 1.00 0.00 C ATOM 1051 CG1 VAL A 62 23.101 22.177 -1.603 1.00 0.00 C ATOM 1052 CG2 VAL A 62 22.128 19.935 -2.152 1.00 0.00 C ATOM 0 H VAL A 62 21.826 20.027 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 62 20.845 22.119 -3.206 1.00 0.00 H new ATOM 0 HB VAL A 62 23.655 20.941 -3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.783 21.691 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.583 23.057 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 62 22.196 22.478 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 62 22.823 19.480 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 62 21.197 20.175 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.926 19.236 -2.964 1.00 0.00 H new ATOM 1062 N GLY A 63 23.659 23.038 -4.703 1.00 0.00 N ATOM 1063 CA GLY A 63 24.361 24.191 -5.234 1.00 0.00 C ATOM 1064 C GLY A 63 25.766 24.321 -4.680 1.00 0.00 C ATOM 1065 O GLY A 63 26.675 24.775 -5.374 1.00 0.00 O ATOM 0 H GLY A 63 24.195 22.170 -4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.408 24.115 -6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 63 23.797 25.094 -5.002 1.00 0.00 H new ATOM 1069 N GLY A 64 25.945 23.922 -3.425 1.00 0.00 N ATOM 1070 CA GLY A 64 27.251 24.005 -2.799 1.00 0.00 C ATOM 1071 C GLY A 64 27.418 23.008 -1.669 1.00 0.00 C ATOM 1072 O GLY A 64 26.453 22.368 -1.250 1.00 0.00 O ATOM 0 H GLY A 64 25.208 23.543 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.022 23.831 -3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.403 25.014 -2.415 1.00 0.00 H new ATOM 1076 N CYS A 65 28.644 22.874 -1.177 1.00 0.00 N ATOM 1077 CA CYS A 65 28.934 21.944 -0.091 1.00 0.00 C ATOM 1078 C CYS A 65 28.283 22.407 1.209 1.00 0.00 C ATOM 1079 O CYS A 65 27.372 21.757 1.723 1.00 0.00 O ATOM 1080 CB CYS A 65 30.446 21.809 0.102 1.00 0.00 C ATOM 1081 SG CYS A 65 30.959 20.235 0.830 1.00 0.00 S ATOM 0 H CYS A 65 29.453 23.397 -1.512 1.00 0.00 H new ATOM 0 HA CYS A 65 28.520 20.971 -0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.937 21.928 -0.864 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.794 22.622 0.739 1.00 0.00 H new ATOM 0 HG CYS A 65 32.070 20.401 1.484 1.00 0.00 H new ATOM 1087 N ASP A 66 28.757 23.531 1.735 1.00 0.00 N ATOM 1088 CA ASP A 66 28.221 24.080 2.975 1.00 0.00 C ATOM 1089 C ASP A 66 26.712 24.279 2.874 1.00 0.00 C ATOM 1090 O ASP A 66 26.005 24.263 3.882 1.00 0.00 O ATOM 1091 CB ASP A 66 28.902 25.409 3.305 1.00 0.00 C ATOM 1092 CG ASP A 66 30.372 25.240 3.636 1.00 0.00 C ATOM 1093 OD1 ASP A 66 30.756 24.138 4.081 1.00 0.00 O ATOM 1094 OD2 ASP A 66 31.138 26.209 3.452 1.00 0.00 O ATOM 0 H ASP A 66 29.511 24.080 1.322 1.00 0.00 H new ATOM 0 HA ASP A 66 28.422 23.368 3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.799 26.087 2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.394 25.875 4.149 1.00 0.00 H new ATOM 1099 N ASP A 67 26.226 24.467 1.652 1.00 0.00 N ATOM 1100 CA ASP A 67 24.800 24.669 1.419 1.00 0.00 C ATOM 1101 C ASP A 67 23.982 23.552 2.059 1.00 0.00 C ATOM 1102 O ASP A 67 23.079 23.808 2.857 1.00 0.00 O ATOM 1103 CB ASP A 67 24.511 24.735 -0.081 1.00 0.00 C ATOM 1104 CG ASP A 67 25.235 25.881 -0.760 1.00 0.00 C ATOM 1105 OD1 ASP A 67 26.001 26.590 -0.074 1.00 0.00 O ATOM 1106 OD2 ASP A 67 25.036 26.069 -1.978 1.00 0.00 O ATOM 0 H ASP A 67 26.798 24.484 0.808 1.00 0.00 H new ATOM 0 HA ASP A 67 24.512 25.615 1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 67 24.807 23.795 -0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.438 24.844 -0.237 1.00 0.00 H new ATOM 1111 N LEU A 68 24.302 22.312 1.703 1.00 0.00 N ATOM 1112 CA LEU A 68 23.595 21.155 2.241 1.00 0.00 C ATOM 1113 C LEU A 68 23.594 21.179 3.766 1.00 0.00 C ATOM 1114 O LEU A 68 22.615 20.788 4.403 1.00 0.00 O ATOM 1115 CB LEU A 68 24.240 19.861 1.741 1.00 0.00 C ATOM 1116 CG LEU A 68 25.510 19.419 2.468 1.00 0.00 C ATOM 1117 CD1 LEU A 68 25.166 18.526 3.650 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.450 18.701 1.510 1.00 0.00 C ATOM 0 H LEU A 68 25.046 22.083 1.044 1.00 0.00 H new ATOM 0 HA LEU A 68 22.563 21.197 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.505 19.060 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.474 19.981 0.683 1.00 0.00 H new ATOM 0 HG LEU A 68 26.017 20.307 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 68 26.083 18.222 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.532 19.074 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.636 17.642 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.349 18.393 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.952 17.822 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.724 19.373 0.697 1.00 0.00 H new ATOM 1130 N TYR A 69 24.696 21.642 4.347 1.00 0.00 N ATOM 1131 CA TYR A 69 24.822 21.717 5.797 1.00 0.00 C ATOM 1132 C TYR A 69 23.892 22.782 6.371 1.00 0.00 C ATOM 1133 O TYR A 69 23.107 22.513 7.279 1.00 0.00 O ATOM 1134 CB TYR A 69 26.269 22.022 6.189 1.00 0.00 C ATOM 1135 CG TYR A 69 26.919 20.928 7.005 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.404 19.776 6.399 1.00 0.00 C ATOM 1137 CD2 TYR A 69 27.048 21.046 8.384 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.998 18.774 7.141 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.642 20.050 9.134 1.00 0.00 C ATOM 1140 CZ TYR A 69 28.114 18.915 8.508 1.00 0.00 C ATOM 1141 OH TYR A 69 28.707 17.919 9.250 1.00 0.00 O ATOM 0 H TYR A 69 25.515 21.971 3.835 1.00 0.00 H new ATOM 0 HA TYR A 69 24.536 20.750 6.211 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.855 22.186 5.284 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.294 22.952 6.758 1.00 0.00 H new ATOM 0 HD1 TYR A 69 27.315 19.662 5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.677 21.932 8.878 1.00 0.00 H new ATOM 0 HE1 TYR A 69 28.370 17.885 6.653 1.00 0.00 H new ATOM 0 HE2 TYR A 69 27.736 20.159 10.204 1.00 0.00 H new ATOM 0 HH TYR A 69 28.711 18.174 10.196 1.00 0.00 H new ATOM 1151 N ALA A 70 23.988 23.993 5.832 1.00 0.00 N ATOM 1152 CA ALA A 70 23.154 25.099 6.287 1.00 0.00 C ATOM 1153 C ALA A 70 21.674 24.743 6.200 1.00 0.00 C ATOM 1154 O ALA A 70 20.930 24.898 7.170 1.00 0.00 O ATOM 1155 CB ALA A 70 23.447 26.351 5.472 1.00 0.00 C ATOM 0 H ALA A 70 24.634 24.233 5.080 1.00 0.00 H new ATOM 0 HA ALA A 70 23.392 25.295 7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.817 27.169 5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.496 26.624 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.238 26.157 4.420 1.00 0.00 H new ATOM 1161 N LEU A 71 21.253 24.267 5.034 1.00 0.00 N ATOM 1162 CA LEU A 71 19.860 23.889 4.821 1.00 0.00 C ATOM 1163 C LEU A 71 19.439 22.789 5.790 1.00 0.00 C ATOM 1164 O LEU A 71 18.379 22.868 6.410 1.00 0.00 O ATOM 1165 CB LEU A 71 19.653 23.421 3.379 1.00 0.00 C ATOM 1166 CG LEU A 71 19.920 24.462 2.291 1.00 0.00 C ATOM 1167 CD1 LEU A 71 20.133 23.785 0.946 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.773 25.459 2.213 1.00 0.00 C ATOM 0 H LEU A 71 21.855 24.133 4.222 1.00 0.00 H new ATOM 0 HA LEU A 71 19.239 24.766 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.301 22.563 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.626 23.072 3.275 1.00 0.00 H new ATOM 0 HG LEU A 71 20.829 25.005 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.322 24.541 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.988 23.112 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.242 23.216 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.980 26.192 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.848 24.932 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.668 25.968 3.171 1.00 0.00 H new ATOM 1180 N GLU A 72 20.277 21.765 5.915 1.00 0.00 N ATOM 1181 CA GLU A 72 19.992 20.650 6.810 1.00 0.00 C ATOM 1182 C GLU A 72 19.751 21.144 8.234 1.00 0.00 C ATOM 1183 O GLU A 72 18.872 20.644 8.935 1.00 0.00 O ATOM 1184 CB GLU A 72 21.147 19.647 6.795 1.00 0.00 C ATOM 1185 CG GLU A 72 21.118 18.667 7.956 1.00 0.00 C ATOM 1186 CD GLU A 72 22.036 19.080 9.090 1.00 0.00 C ATOM 1187 OE1 GLU A 72 23.238 19.297 8.830 1.00 0.00 O ATOM 1188 OE2 GLU A 72 21.554 19.184 10.237 1.00 0.00 O ATOM 0 H GLU A 72 21.158 21.685 5.408 1.00 0.00 H new ATOM 0 HA GLU A 72 19.087 20.156 6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.120 19.089 5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.091 20.192 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.098 18.584 8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.408 17.679 7.600 1.00 0.00 H new ATOM 1195 N ASN A 73 20.540 22.127 8.655 1.00 0.00 N ATOM 1196 CA ASN A 73 20.414 22.688 9.995 1.00 0.00 C ATOM 1197 C ASN A 73 19.289 23.716 10.051 1.00 0.00 C ATOM 1198 O ASN A 73 18.768 24.026 11.123 1.00 0.00 O ATOM 1199 CB ASN A 73 21.732 23.334 10.426 1.00 0.00 C ATOM 1200 CG ASN A 73 21.716 23.768 11.879 1.00 0.00 C ATOM 1201 OD1 ASN A 73 21.639 24.959 12.182 1.00 0.00 O ATOM 1202 ND2 ASN A 73 21.788 22.801 12.786 1.00 0.00 N ATOM 0 H ASN A 73 21.273 22.552 8.087 1.00 0.00 H new ATOM 0 HA ASN A 73 20.174 21.875 10.681 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.548 22.628 10.270 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.933 24.199 9.794 1.00 0.00 H new ATOM 0 HD21 ASN A 73 21.781 23.032 13.779 1.00 0.00 H new ATOM 0 HD22 ASN A 73 21.851 21.827 12.489 1.00 0.00 H new ATOM 1209 N LYS A 74 18.917 24.242 8.888 1.00 0.00 N ATOM 1210 CA LYS A 74 17.851 25.234 8.803 1.00 0.00 C ATOM 1211 C LYS A 74 16.481 24.569 8.888 1.00 0.00 C ATOM 1212 O LYS A 74 15.492 25.208 9.245 1.00 0.00 O ATOM 1213 CB LYS A 74 17.966 26.024 7.497 1.00 0.00 C ATOM 1214 CG LYS A 74 18.514 27.428 7.683 1.00 0.00 C ATOM 1215 CD LYS A 74 19.940 27.406 8.206 1.00 0.00 C ATOM 1216 CE LYS A 74 20.337 28.749 8.800 1.00 0.00 C ATOM 1217 NZ LYS A 74 21.671 28.692 9.458 1.00 0.00 N ATOM 0 H LYS A 74 19.338 23.998 7.992 1.00 0.00 H new ATOM 0 HA LYS A 74 17.956 25.918 9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.611 25.479 6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.982 26.085 7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.482 27.961 6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.879 27.978 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.039 26.629 8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.622 27.150 7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.352 29.504 8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.587 29.061 9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.905 29.626 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.650 27.990 10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.391 28.419 8.759 1.00 0.00 H new ATOM 1231 N GLY A 75 16.431 23.281 8.560 1.00 0.00 N ATOM 1232 CA GLY A 75 15.177 22.552 8.608 1.00 0.00 C ATOM 1233 C GLY A 75 14.950 21.707 7.370 1.00 0.00 C ATOM 1234 O GLY A 75 13.951 20.996 7.268 1.00 0.00 O ATOM 0 H GLY A 75 17.236 22.730 8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.167 21.910 9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.354 23.258 8.718 1.00 0.00 H new ATOM 1238 N LYS A 76 15.880 21.786 6.423 1.00 0.00 N ATOM 1239 CA LYS A 76 15.778 21.024 5.185 1.00 0.00 C ATOM 1240 C LYS A 76 16.266 19.593 5.385 1.00 0.00 C ATOM 1241 O LYS A 76 16.289 18.797 4.445 1.00 0.00 O ATOM 1242 CB LYS A 76 16.588 21.701 4.077 1.00 0.00 C ATOM 1243 CG LYS A 76 16.067 23.075 3.695 1.00 0.00 C ATOM 1244 CD LYS A 76 14.638 23.007 3.181 1.00 0.00 C ATOM 1245 CE LYS A 76 14.293 24.220 2.331 1.00 0.00 C ATOM 1246 NZ LYS A 76 14.275 25.474 3.135 1.00 0.00 N ATOM 0 H LYS A 76 16.713 22.371 6.490 1.00 0.00 H new ATOM 0 HA LYS A 76 14.729 20.993 4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.625 21.792 4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.585 21.062 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.112 23.736 4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.710 23.509 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.505 22.099 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.950 22.944 4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.019 24.316 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.318 24.072 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.036 26.278 2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.564 25.392 3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.212 25.629 3.558 1.00 0.00 H new ATOM 1260 N LEU A 77 16.656 19.272 6.613 1.00 0.00 N ATOM 1261 CA LEU A 77 17.143 17.935 6.937 1.00 0.00 C ATOM 1262 C LEU A 77 16.162 16.868 6.461 1.00 0.00 C ATOM 1263 O LEU A 77 16.567 15.817 5.963 1.00 0.00 O ATOM 1264 CB LEU A 77 17.365 17.804 8.445 1.00 0.00 C ATOM 1265 CG LEU A 77 17.735 16.408 8.949 1.00 0.00 C ATOM 1266 CD1 LEU A 77 19.204 16.352 9.336 1.00 0.00 C ATOM 1267 CD2 LEU A 77 16.856 16.018 10.129 1.00 0.00 C ATOM 0 H LEU A 77 16.645 19.919 7.401 1.00 0.00 H new ATOM 0 HA LEU A 77 18.092 17.785 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.155 18.496 8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.456 18.124 8.955 1.00 0.00 H new ATOM 0 HG LEU A 77 17.566 15.694 8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.449 15.351 9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.818 16.588 8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 77 19.400 17.076 10.127 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.133 15.022 10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.994 16.735 10.938 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.811 16.017 9.820 1.00 0.00 H new ATOM 1279 N ASP A 78 14.872 17.146 6.616 1.00 0.00 N ATOM 1280 CA ASP A 78 13.834 16.212 6.199 1.00 0.00 C ATOM 1281 C ASP A 78 14.025 15.801 4.742 1.00 0.00 C ATOM 1282 O ASP A 78 14.005 14.615 4.413 1.00 0.00 O ATOM 1283 CB ASP A 78 12.450 16.836 6.388 1.00 0.00 C ATOM 1284 CG ASP A 78 11.376 16.113 5.600 1.00 0.00 C ATOM 1285 OD1 ASP A 78 11.200 14.896 5.816 1.00 0.00 O ATOM 1286 OD2 ASP A 78 10.711 16.764 4.766 1.00 0.00 O ATOM 0 H ASP A 78 14.521 18.011 7.027 1.00 0.00 H new ATOM 0 HA ASP A 78 13.911 15.321 6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.190 16.823 7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.481 17.881 6.080 1.00 0.00 H new ATOM 1291 N SER A 79 14.209 16.790 3.873 1.00 0.00 N ATOM 1292 CA SER A 79 14.399 16.532 2.450 1.00 0.00 C ATOM 1293 C SER A 79 15.735 15.840 2.198 1.00 0.00 C ATOM 1294 O SER A 79 15.802 14.831 1.494 1.00 0.00 O ATOM 1295 CB SER A 79 14.332 17.840 1.660 1.00 0.00 C ATOM 1296 OG SER A 79 14.459 17.602 0.269 1.00 0.00 O ATOM 0 H SER A 79 14.231 17.777 4.129 1.00 0.00 H new ATOM 0 HA SER A 79 13.599 15.872 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.386 18.342 1.861 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.125 18.510 1.992 1.00 0.00 H new ATOM 0 HG SER A 79 14.412 18.453 -0.214 1.00 0.00 H new ATOM 1302 N LEU A 80 16.798 16.389 2.776 1.00 0.00 N ATOM 1303 CA LEU A 80 18.134 15.825 2.614 1.00 0.00 C ATOM 1304 C LEU A 80 18.155 14.352 3.009 1.00 0.00 C ATOM 1305 O LEU A 80 18.763 13.525 2.330 1.00 0.00 O ATOM 1306 CB LEU A 80 19.143 16.606 3.458 1.00 0.00 C ATOM 1307 CG LEU A 80 19.840 17.774 2.760 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.764 17.266 1.664 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.815 18.743 2.189 1.00 0.00 C ATOM 0 H LEU A 80 16.761 17.224 3.361 1.00 0.00 H new ATOM 0 HA LEU A 80 18.410 15.903 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.629 16.990 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.906 15.912 3.811 1.00 0.00 H new ATOM 0 HG LEU A 80 20.442 18.306 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.251 18.111 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.520 16.612 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.184 16.710 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.329 19.568 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.186 18.223 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.194 19.133 2.996 1.00 0.00 H new ATOM 1321 N LEU A 81 17.485 14.031 4.111 1.00 0.00 N ATOM 1322 CA LEU A 81 17.425 12.657 4.596 1.00 0.00 C ATOM 1323 C LEU A 81 16.531 11.803 3.702 1.00 0.00 C ATOM 1324 O LEU A 81 16.861 10.658 3.392 1.00 0.00 O ATOM 1325 CB LEU A 81 16.905 12.625 6.035 1.00 0.00 C ATOM 1326 CG LEU A 81 17.961 12.440 7.125 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.868 13.658 7.202 1.00 0.00 C ATOM 1328 CD2 LEU A 81 17.298 12.181 8.470 1.00 0.00 C ATOM 0 H LEU A 81 16.976 14.703 4.685 1.00 0.00 H new ATOM 0 HA LEU A 81 18.434 12.245 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.371 13.555 6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.178 11.817 6.120 1.00 0.00 H new ATOM 0 HG LEU A 81 18.571 11.574 6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.613 13.508 7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 81 19.370 13.799 6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 81 18.272 14.541 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.064 12.052 9.234 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.663 13.028 8.732 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.691 11.278 8.408 1.00 0.00 H new ATOM 1340 N GLN A 82 15.401 12.368 3.290 1.00 0.00 N ATOM 1341 CA GLN A 82 14.462 11.658 2.430 1.00 0.00 C ATOM 1342 C GLN A 82 15.095 11.335 1.081 1.00 0.00 C ATOM 1343 O GLN A 82 14.710 10.372 0.418 1.00 0.00 O ATOM 1344 CB GLN A 82 13.195 12.491 2.226 1.00 0.00 C ATOM 1345 CG GLN A 82 12.056 11.718 1.581 1.00 0.00 C ATOM 1346 CD GLN A 82 11.226 12.575 0.645 1.00 0.00 C ATOM 1347 OE1 GLN A 82 10.146 13.043 1.008 1.00 0.00 O ATOM 1348 NE2 GLN A 82 11.727 12.785 -0.566 1.00 0.00 N ATOM 0 H GLN A 82 15.114 13.315 3.538 1.00 0.00 H new ATOM 0 HA GLN A 82 14.198 10.721 2.920 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.863 12.874 3.191 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.434 13.355 1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.464 10.872 1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.412 11.309 2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.626 12.377 -0.824 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.213 13.354 -1.239 1.00 0.00 H new ATOM 1357 N ASP A 83 16.068 12.147 0.681 1.00 0.00 N ATOM 1358 CA ASP A 83 16.756 11.947 -0.589 1.00 0.00 C ATOM 1359 C ASP A 83 17.880 10.926 -0.444 1.00 0.00 C ATOM 1360 O ASP A 83 17.942 9.946 -1.185 1.00 0.00 O ATOM 1361 CB ASP A 83 17.318 13.274 -1.103 1.00 0.00 C ATOM 1362 CG ASP A 83 16.239 14.184 -1.655 1.00 0.00 C ATOM 1363 OD1 ASP A 83 15.603 13.809 -2.663 1.00 0.00 O ATOM 1364 OD2 ASP A 83 16.029 15.272 -1.079 1.00 0.00 O ATOM 0 H ASP A 83 16.398 12.949 1.218 1.00 0.00 H new ATOM 0 HA ASP A 83 16.033 11.564 -1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.839 13.783 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.055 13.076 -1.881 1.00 0.00 H new ATOM 1369 N VAL A 84 18.769 11.165 0.516 1.00 0.00 N ATOM 1370 CA VAL A 84 19.891 10.266 0.759 1.00 0.00 C ATOM 1371 C VAL A 84 19.407 8.882 1.177 1.00 0.00 C ATOM 1372 O VAL A 84 20.043 7.872 0.874 1.00 0.00 O ATOM 1373 CB VAL A 84 20.828 10.821 1.848 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.339 12.200 1.461 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.116 10.864 3.191 1.00 0.00 C ATOM 0 H VAL A 84 18.734 11.973 1.137 1.00 0.00 H new ATOM 0 HA VAL A 84 20.442 10.186 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 84 21.686 10.155 1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.999 12.576 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.889 12.134 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.496 12.880 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.793 11.259 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.239 11.507 3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.805 9.857 3.471 1.00 0.00 H new ATOM 1385 N HIS A 85 18.276 8.843 1.874 1.00 0.00 N ATOM 1386 CA HIS A 85 17.705 7.582 2.334 1.00 0.00 C ATOM 1387 C HIS A 85 17.546 6.603 1.174 1.00 0.00 C ATOM 1388 O HIS A 85 18.139 5.523 1.176 1.00 0.00 O ATOM 1389 CB HIS A 85 16.351 7.824 3.001 1.00 0.00 C ATOM 1390 CG HIS A 85 15.644 6.564 3.397 1.00 0.00 C ATOM 1391 ND1 HIS A 85 14.309 6.337 3.139 1.00 0.00 N ATOM 1392 CD2 HIS A 85 16.096 5.459 4.034 1.00 0.00 C ATOM 1393 CE1 HIS A 85 13.969 5.147 3.603 1.00 0.00 C ATOM 1394 NE2 HIS A 85 15.036 4.593 4.150 1.00 0.00 N ATOM 0 H HIS A 85 17.737 9.669 2.133 1.00 0.00 H new ATOM 0 HA HIS A 85 18.388 7.147 3.063 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.497 8.443 3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.715 8.389 2.319 1.00 0.00 H new ATOM 0 HD2 HIS A 85 17.103 5.289 4.386 1.00 0.00 H new ATOM 0 HE1 HIS A 85 12.986 4.703 3.545 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.068 3.672 4.587 1.00 0.00 H new TER 1402 HIS A 85