USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 518 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 Set 1.1: A 29 SER OG : rot 140:sc= -0.291 USER MOD Set 1.2: A 55 THR OG1 : rot 84:sc= -1.39! USER MOD Set 2.1: A 18 GLN : amide:sc= -0.535 K(o=-4.9,f=-11!) USER MOD Set 2.2: A 37 GLN : amide:sc= -4.32! C(o=-4.9!,f=-10!) USER MOD Set 3.1: A 31 MET CE :methyl 141:sc= -5! (180deg=-6.92!) USER MOD Set 3.2: A 39 CYS SG : rot 152:sc= -0.575 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.243 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 152:sc= -3.51! (180deg=-4.24!) USER MOD Single : A 23 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.2!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0705 USER MOD Single : A 27 THR OG1 : rot -32:sc= 0.414 USER MOD Single : A 28 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.77) USER MOD Single : A 32 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.5!) USER MOD Single : A 36 SER OG : rot -141:sc= 0.988 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.48) USER MOD Single : A 43 ASN : amide:sc= -4.44! C(o=-4.4!,f=-12!) USER MOD Single : A 44 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.6!) USER MOD Single : A 47 TYR OH : rot 82:sc= -3.35! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -157:sc= -0.353 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 56 HIS : no HD1:sc= -0.0983 X(o=-0.098,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 140:sc= -2.31! (180deg=-4.49!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -144:sc= -1.3! (180deg=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 18.743 -10.470 -14.832 1.00 0.00 N ATOM 2 CA PRO A 2 18.109 -9.267 -14.220 1.00 0.00 C ATOM 3 C PRO A 2 16.912 -8.764 -15.030 1.00 0.00 C ATOM 4 O PRO A 2 17.061 -8.337 -16.175 1.00 0.00 O ATOM 5 CB PRO A 2 19.179 -8.183 -14.126 1.00 0.00 C ATOM 6 CG PRO A 2 20.377 -8.782 -14.787 1.00 0.00 C ATOM 7 CD PRO A 2 20.199 -10.280 -14.720 1.00 0.00 C ATOM 0 HA PRO A 2 17.723 -9.528 -13.235 1.00 0.00 H new ATOM 0 HB2 PRO A 2 18.863 -7.269 -14.629 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.388 -7.920 -13.089 1.00 0.00 H new ATOM 0 HG2 PRO A 2 20.458 -8.447 -15.821 1.00 0.00 H new ATOM 0 HG3 PRO A 2 21.293 -8.477 -14.280 1.00 0.00 H new ATOM 0 HD2 PRO A 2 20.731 -10.782 -15.528 1.00 0.00 H new ATOM 0 HD3 PRO A 2 20.584 -10.686 -13.785 1.00 0.00 H new ATOM 17 N ALA A 3 15.730 -8.819 -14.426 1.00 0.00 N ATOM 18 CA ALA A 3 14.511 -8.370 -15.089 1.00 0.00 C ATOM 19 C ALA A 3 14.458 -6.846 -15.168 1.00 0.00 C ATOM 20 O ALA A 3 14.306 -6.277 -16.248 1.00 0.00 O ATOM 21 CB ALA A 3 13.287 -8.905 -14.361 1.00 0.00 C ATOM 0 H ALA A 3 15.590 -9.170 -13.479 1.00 0.00 H new ATOM 0 HA ALA A 3 14.515 -8.761 -16.107 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.384 -8.562 -14.867 1.00 0.00 H new ATOM 0 HB2 ALA A 3 13.311 -9.995 -14.361 1.00 0.00 H new ATOM 0 HB3 ALA A 3 13.287 -8.542 -13.333 1.00 0.00 H new ATOM 27 N PRO A 4 14.585 -6.163 -14.017 1.00 0.00 N ATOM 28 CA PRO A 4 14.551 -4.698 -13.962 1.00 0.00 C ATOM 29 C PRO A 4 15.526 -4.059 -14.943 1.00 0.00 C ATOM 30 O PRO A 4 16.674 -4.488 -15.064 1.00 0.00 O ATOM 31 CB PRO A 4 14.962 -4.386 -12.520 1.00 0.00 C ATOM 32 CG PRO A 4 14.582 -5.601 -11.748 1.00 0.00 C ATOM 33 CD PRO A 4 14.772 -6.764 -12.683 1.00 0.00 C ATOM 0 HA PRO A 4 13.572 -4.303 -14.235 1.00 0.00 H new ATOM 0 HB2 PRO A 4 16.031 -4.189 -12.447 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.448 -3.501 -12.144 1.00 0.00 H new ATOM 0 HG2 PRO A 4 15.204 -5.709 -10.860 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.548 -5.539 -11.407 1.00 0.00 H new ATOM 0 HD2 PRO A 4 15.762 -7.207 -12.577 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.047 -7.555 -12.493 1.00 0.00 H new ATOM 41 N THR A 5 15.062 -3.028 -15.644 1.00 0.00 N ATOM 42 CA THR A 5 15.894 -2.330 -16.617 1.00 0.00 C ATOM 43 C THR A 5 16.660 -1.185 -15.957 1.00 0.00 C ATOM 44 O THR A 5 17.884 -1.107 -16.058 1.00 0.00 O ATOM 45 CB THR A 5 15.034 -1.789 -17.760 1.00 0.00 C ATOM 46 OG1 THR A 5 13.676 -2.146 -17.577 1.00 0.00 O ATOM 47 CG2 THR A 5 15.462 -2.295 -19.121 1.00 0.00 C ATOM 0 H THR A 5 14.115 -2.658 -15.556 1.00 0.00 H new ATOM 0 HA THR A 5 16.614 -3.043 -17.019 1.00 0.00 H new ATOM 0 HB THR A 5 15.165 -0.707 -17.734 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.141 -1.790 -18.317 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.811 -1.873 -19.887 1.00 0.00 H new ATOM 0 HG22 THR A 5 16.492 -1.994 -19.314 1.00 0.00 H new ATOM 0 HG23 THR A 5 15.392 -3.383 -19.143 1.00 0.00 H new ATOM 55 N PRO A 6 15.944 -0.279 -15.269 1.00 0.00 N ATOM 56 CA PRO A 6 16.564 0.864 -14.590 1.00 0.00 C ATOM 57 C PRO A 6 17.706 0.444 -13.672 1.00 0.00 C ATOM 58 O PRO A 6 18.859 0.814 -13.889 1.00 0.00 O ATOM 59 CB PRO A 6 15.414 1.460 -13.774 1.00 0.00 C ATOM 60 CG PRO A 6 14.181 1.052 -14.503 1.00 0.00 C ATOM 61 CD PRO A 6 14.480 -0.297 -15.098 1.00 0.00 C ATOM 0 HA PRO A 6 17.010 1.563 -15.297 1.00 0.00 H new ATOM 0 HB2 PRO A 6 15.414 1.079 -12.753 1.00 0.00 H new ATOM 0 HB3 PRO A 6 15.495 2.545 -13.710 1.00 0.00 H new ATOM 0 HG2 PRO A 6 13.327 1.000 -13.827 1.00 0.00 H new ATOM 0 HG3 PRO A 6 13.930 1.774 -15.280 1.00 0.00 H new ATOM 0 HD2 PRO A 6 14.162 -1.106 -14.440 1.00 0.00 H new ATOM 0 HD3 PRO A 6 13.966 -0.439 -16.049 1.00 0.00 H new ATOM 69 N SER A 7 17.376 -0.332 -12.644 1.00 0.00 N ATOM 70 CA SER A 7 18.376 -0.804 -11.692 1.00 0.00 C ATOM 71 C SER A 7 17.717 -1.551 -10.537 1.00 0.00 C ATOM 72 O SER A 7 16.556 -1.306 -10.209 1.00 0.00 O ATOM 73 CB SER A 7 19.192 0.371 -11.154 1.00 0.00 C ATOM 74 OG SER A 7 19.814 0.041 -9.923 1.00 0.00 O ATOM 0 H SER A 7 16.426 -0.647 -12.449 1.00 0.00 H new ATOM 0 HA SER A 7 19.042 -1.492 -12.213 1.00 0.00 H new ATOM 0 HB2 SER A 7 19.951 0.655 -11.883 1.00 0.00 H new ATOM 0 HB3 SER A 7 18.543 1.236 -11.016 1.00 0.00 H new ATOM 0 HG SER A 7 20.331 0.809 -9.601 1.00 0.00 H new ATOM 80 N SER A 8 18.464 -2.462 -9.925 1.00 0.00 N ATOM 81 CA SER A 8 17.953 -3.245 -8.806 1.00 0.00 C ATOM 82 C SER A 8 19.058 -4.092 -8.183 1.00 0.00 C ATOM 83 O SER A 8 19.732 -4.856 -8.873 1.00 0.00 O ATOM 84 CB SER A 8 16.805 -4.145 -9.268 1.00 0.00 C ATOM 85 OG SER A 8 16.665 -5.270 -8.419 1.00 0.00 O ATOM 0 H SER A 8 19.427 -2.677 -10.185 1.00 0.00 H new ATOM 0 HA SER A 8 17.582 -2.552 -8.051 1.00 0.00 H new ATOM 0 HB2 SER A 8 15.875 -3.576 -9.279 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.988 -4.477 -10.290 1.00 0.00 H new ATOM 0 HG SER A 8 15.924 -5.828 -8.735 1.00 0.00 H new ATOM 91 N SER A 9 19.239 -3.950 -6.874 1.00 0.00 N ATOM 92 CA SER A 9 20.263 -4.700 -6.158 1.00 0.00 C ATOM 93 C SER A 9 19.652 -5.485 -4.999 1.00 0.00 C ATOM 94 O SER A 9 18.741 -5.004 -4.325 1.00 0.00 O ATOM 95 CB SER A 9 21.347 -3.756 -5.634 1.00 0.00 C ATOM 96 OG SER A 9 21.608 -2.716 -6.561 1.00 0.00 O ATOM 0 H SER A 9 18.689 -3.322 -6.288 1.00 0.00 H new ATOM 0 HA SER A 9 20.714 -5.406 -6.855 1.00 0.00 H new ATOM 0 HB2 SER A 9 21.032 -3.329 -4.682 1.00 0.00 H new ATOM 0 HB3 SER A 9 22.262 -4.317 -5.445 1.00 0.00 H new ATOM 0 HG SER A 9 22.303 -2.125 -6.203 1.00 0.00 H new ATOM 102 N PRO A 10 20.150 -6.709 -4.751 1.00 0.00 N ATOM 103 CA PRO A 10 19.648 -7.560 -3.666 1.00 0.00 C ATOM 104 C PRO A 10 19.622 -6.833 -2.326 1.00 0.00 C ATOM 105 O PRO A 10 18.881 -7.212 -1.418 1.00 0.00 O ATOM 106 CB PRO A 10 20.649 -8.715 -3.628 1.00 0.00 C ATOM 107 CG PRO A 10 21.210 -8.777 -5.007 1.00 0.00 C ATOM 108 CD PRO A 10 21.237 -7.359 -5.506 1.00 0.00 C ATOM 0 HA PRO A 10 18.619 -7.876 -3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 10 21.431 -8.537 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 10 20.162 -9.652 -3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 10 22.211 -9.208 -5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 10 20.595 -9.406 -5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 10 22.199 -6.884 -5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 10 21.065 -7.308 -6.581 1.00 0.00 H new ATOM 116 N VAL A 11 20.433 -5.788 -2.209 1.00 0.00 N ATOM 117 CA VAL A 11 20.503 -5.008 -0.980 1.00 0.00 C ATOM 118 C VAL A 11 19.914 -3.613 -1.179 1.00 0.00 C ATOM 119 O VAL A 11 20.598 -2.702 -1.645 1.00 0.00 O ATOM 120 CB VAL A 11 21.955 -4.872 -0.482 1.00 0.00 C ATOM 121 CG1 VAL A 11 21.996 -4.148 0.855 1.00 0.00 C ATOM 122 CG2 VAL A 11 22.613 -6.239 -0.376 1.00 0.00 C ATOM 0 H VAL A 11 21.052 -5.461 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 11 19.918 -5.544 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 11 22.514 -4.280 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 11 23.029 -4.062 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 11 21.566 -3.153 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.421 -4.710 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 11 23.638 -6.123 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.055 -6.858 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.619 -6.717 -1.356 1.00 0.00 H new ATOM 132 N PRO A 12 18.631 -3.429 -0.825 1.00 0.00 N ATOM 133 CA PRO A 12 17.952 -2.136 -0.967 1.00 0.00 C ATOM 134 C PRO A 12 18.490 -1.090 0.003 1.00 0.00 C ATOM 135 O PRO A 12 19.454 -1.340 0.728 1.00 0.00 O ATOM 136 CB PRO A 12 16.491 -2.462 -0.645 1.00 0.00 C ATOM 137 CG PRO A 12 16.554 -3.674 0.219 1.00 0.00 C ATOM 138 CD PRO A 12 17.741 -4.461 -0.260 1.00 0.00 C ATOM 0 HA PRO A 12 18.098 -1.707 -1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 12 16.005 -1.634 -0.130 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.919 -2.652 -1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 12 16.665 -3.400 1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 12 15.638 -4.260 0.137 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.220 -5.002 0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 12 17.457 -5.200 -1.009 1.00 0.00 H new ATOM 146 N THR A 13 17.864 0.081 0.011 1.00 0.00 N ATOM 147 CA THR A 13 18.281 1.166 0.892 1.00 0.00 C ATOM 148 C THR A 13 17.104 2.071 1.237 1.00 0.00 C ATOM 149 O THR A 13 17.012 3.199 0.752 1.00 0.00 O ATOM 150 CB THR A 13 19.393 1.984 0.236 1.00 0.00 C ATOM 151 OG1 THR A 13 19.880 2.973 1.126 1.00 0.00 O ATOM 152 CG2 THR A 13 18.954 2.684 -1.032 1.00 0.00 C ATOM 0 H THR A 13 17.065 0.304 -0.583 1.00 0.00 H new ATOM 0 HA THR A 13 18.659 0.726 1.815 1.00 0.00 H new ATOM 0 HB THR A 13 20.170 1.263 -0.017 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.592 3.485 0.688 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.791 3.246 -1.446 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.619 1.944 -1.759 1.00 0.00 H new ATOM 0 HG23 THR A 13 18.135 3.367 -0.806 1.00 0.00 H new ATOM 160 N LEU A 14 16.204 1.570 2.078 1.00 0.00 N ATOM 161 CA LEU A 14 15.032 2.335 2.488 1.00 0.00 C ATOM 162 C LEU A 14 15.424 3.446 3.461 1.00 0.00 C ATOM 163 O LEU A 14 16.562 3.504 3.926 1.00 0.00 O ATOM 164 CB LEU A 14 13.994 1.407 3.125 1.00 0.00 C ATOM 165 CG LEU A 14 12.616 2.029 3.371 1.00 0.00 C ATOM 166 CD1 LEU A 14 12.087 2.713 2.119 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.635 0.976 3.838 1.00 0.00 C ATOM 0 H LEU A 14 16.264 0.638 2.488 1.00 0.00 H new ATOM 0 HA LEU A 14 14.594 2.797 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.870 0.534 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.387 1.050 4.077 1.00 0.00 H new ATOM 0 HG LEU A 14 12.727 2.783 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.108 3.144 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.775 3.503 1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.999 1.982 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.661 1.436 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.543 0.201 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.993 0.531 4.766 1.00 0.00 H new ATOM 179 N SER A 15 14.477 4.330 3.754 1.00 0.00 N ATOM 180 CA SER A 15 14.715 5.448 4.656 1.00 0.00 C ATOM 181 C SER A 15 13.404 5.861 5.319 1.00 0.00 C ATOM 182 O SER A 15 12.413 5.156 5.193 1.00 0.00 O ATOM 183 CB SER A 15 15.324 6.610 3.867 1.00 0.00 C ATOM 184 OG SER A 15 15.912 6.155 2.660 1.00 0.00 O ATOM 0 H SER A 15 13.530 4.292 3.376 1.00 0.00 H new ATOM 0 HA SER A 15 15.414 5.155 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.552 7.346 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.077 7.112 4.475 1.00 0.00 H new ATOM 0 HG SER A 15 16.292 6.916 2.174 1.00 0.00 H new ATOM 190 N PRO A 16 13.367 6.995 6.041 1.00 0.00 N ATOM 191 CA PRO A 16 12.142 7.457 6.703 1.00 0.00 C ATOM 192 C PRO A 16 10.932 7.413 5.768 1.00 0.00 C ATOM 193 O PRO A 16 9.794 7.302 6.216 1.00 0.00 O ATOM 194 CB PRO A 16 12.483 8.894 7.092 1.00 0.00 C ATOM 195 CG PRO A 16 13.959 8.878 7.290 1.00 0.00 C ATOM 196 CD PRO A 16 14.501 7.907 6.282 1.00 0.00 C ATOM 0 HA PRO A 16 11.862 6.831 7.550 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.193 9.597 6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.962 9.195 8.001 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.383 9.871 7.142 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.213 8.570 8.304 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.813 8.410 5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.371 7.374 6.665 1.00 0.00 H new ATOM 204 N GLU A 17 11.197 7.484 4.462 1.00 0.00 N ATOM 205 CA GLU A 17 10.167 7.436 3.434 1.00 0.00 C ATOM 206 C GLU A 17 9.098 6.407 3.766 1.00 0.00 C ATOM 207 O GLU A 17 7.906 6.618 3.553 1.00 0.00 O ATOM 208 CB GLU A 17 10.878 7.101 2.101 1.00 0.00 C ATOM 209 CG GLU A 17 10.428 5.829 1.350 1.00 0.00 C ATOM 210 CD GLU A 17 10.573 5.968 -0.152 1.00 0.00 C ATOM 211 OE1 GLU A 17 10.027 6.941 -0.714 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.232 5.103 -0.767 1.00 0.00 O ATOM 0 H GLU A 17 12.142 7.577 4.090 1.00 0.00 H new ATOM 0 HA GLU A 17 9.651 8.393 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.750 7.950 1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.945 7.012 2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.018 4.979 1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.388 5.614 1.594 1.00 0.00 H new ATOM 219 N GLN A 18 9.569 5.279 4.233 1.00 0.00 N ATOM 220 CA GLN A 18 8.736 4.149 4.555 1.00 0.00 C ATOM 221 C GLN A 18 7.612 4.478 5.503 1.00 0.00 C ATOM 222 O GLN A 18 6.476 4.102 5.272 1.00 0.00 O ATOM 223 CB GLN A 18 9.594 3.050 5.155 1.00 0.00 C ATOM 224 CG GLN A 18 8.928 1.702 5.120 1.00 0.00 C ATOM 225 CD GLN A 18 9.360 0.797 6.256 1.00 0.00 C ATOM 226 OE1 GLN A 18 10.134 -0.139 6.062 1.00 0.00 O ATOM 227 NE2 GLN A 18 8.859 1.071 7.455 1.00 0.00 N ATOM 0 H GLN A 18 10.562 5.117 4.403 1.00 0.00 H new ATOM 0 HA GLN A 18 8.273 3.824 3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.539 2.997 4.614 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.832 3.305 6.188 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.847 1.836 5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.153 1.216 4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.220 1.857 7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.113 0.495 8.258 1.00 0.00 H new ATOM 236 N GLN A 19 7.931 5.141 6.579 1.00 0.00 N ATOM 237 CA GLN A 19 6.918 5.474 7.568 1.00 0.00 C ATOM 238 C GLN A 19 6.135 6.706 7.154 1.00 0.00 C ATOM 239 O GLN A 19 4.994 6.897 7.576 1.00 0.00 O ATOM 240 CB GLN A 19 7.547 5.677 8.947 1.00 0.00 C ATOM 241 CG GLN A 19 6.652 5.239 10.095 1.00 0.00 C ATOM 242 CD GLN A 19 6.845 3.781 10.462 1.00 0.00 C ATOM 243 OE1 GLN A 19 6.083 2.915 10.034 1.00 0.00 O ATOM 244 NE2 GLN A 19 7.870 3.502 11.259 1.00 0.00 N ATOM 0 H GLN A 19 8.873 5.464 6.802 1.00 0.00 H new ATOM 0 HA GLN A 19 6.224 4.635 7.628 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.484 5.121 8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.795 6.731 9.072 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.857 5.859 10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.610 5.406 9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.477 4.252 11.591 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.050 2.538 11.539 1.00 0.00 H new ATOM 253 N GLU A 20 6.735 7.529 6.311 1.00 0.00 N ATOM 254 CA GLU A 20 6.064 8.718 5.834 1.00 0.00 C ATOM 255 C GLU A 20 4.904 8.315 4.939 1.00 0.00 C ATOM 256 O GLU A 20 3.904 9.026 4.839 1.00 0.00 O ATOM 257 CB GLU A 20 7.038 9.616 5.068 1.00 0.00 C ATOM 258 CG GLU A 20 6.500 11.014 4.810 1.00 0.00 C ATOM 259 CD GLU A 20 5.868 11.632 6.042 1.00 0.00 C ATOM 260 OE1 GLU A 20 6.454 11.506 7.137 1.00 0.00 O ATOM 261 OE2 GLU A 20 4.787 12.245 5.911 1.00 0.00 O ATOM 0 H GLU A 20 7.678 7.394 5.947 1.00 0.00 H new ATOM 0 HA GLU A 20 5.685 9.280 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.969 9.692 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.279 9.146 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.312 11.653 4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.762 10.973 4.009 1.00 0.00 H new ATOM 268 N MET A 21 5.057 7.174 4.265 1.00 0.00 N ATOM 269 CA MET A 21 4.043 6.686 3.360 1.00 0.00 C ATOM 270 C MET A 21 3.167 5.606 3.972 1.00 0.00 C ATOM 271 O MET A 21 1.964 5.784 4.080 1.00 0.00 O ATOM 272 CB MET A 21 4.751 6.139 2.148 1.00 0.00 C ATOM 273 CG MET A 21 5.641 7.168 1.486 1.00 0.00 C ATOM 274 SD MET A 21 4.815 8.716 1.064 1.00 0.00 S ATOM 275 CE MET A 21 5.600 9.103 -0.499 1.00 0.00 C ATOM 0 H MET A 21 5.880 6.576 4.337 1.00 0.00 H new ATOM 0 HA MET A 21 3.376 7.510 3.108 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.351 5.277 2.440 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.013 5.785 1.429 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.477 7.387 2.150 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.060 6.736 0.577 1.00 0.00 H new ATOM 0 HE1 MET A 21 4.917 9.690 -1.114 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.509 9.676 -0.317 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.852 8.178 -1.018 1.00 0.00 H new ATOM 285 N LEU A 22 3.777 4.479 4.331 1.00 0.00 N ATOM 286 CA LEU A 22 3.056 3.330 4.898 1.00 0.00 C ATOM 287 C LEU A 22 1.870 3.740 5.768 1.00 0.00 C ATOM 288 O LEU A 22 0.768 3.227 5.595 1.00 0.00 O ATOM 289 CB LEU A 22 3.998 2.451 5.721 1.00 0.00 C ATOM 290 CG LEU A 22 4.606 1.274 4.960 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.528 0.471 5.865 1.00 0.00 C ATOM 292 CD2 LEU A 22 3.504 0.393 4.395 1.00 0.00 C ATOM 0 H LEU A 22 4.782 4.331 4.240 1.00 0.00 H new ATOM 0 HA LEU A 22 2.667 2.770 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.806 3.072 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.452 2.065 6.582 1.00 0.00 H new ATOM 0 HG LEU A 22 5.200 1.661 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.951 -0.363 5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.333 1.112 6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.961 0.088 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.948 -0.443 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.889 0.012 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.884 0.977 3.715 1.00 0.00 H new ATOM 304 N GLN A 23 2.098 4.651 6.705 1.00 0.00 N ATOM 305 CA GLN A 23 1.032 5.100 7.591 1.00 0.00 C ATOM 306 C GLN A 23 -0.126 5.686 6.793 1.00 0.00 C ATOM 307 O GLN A 23 -1.283 5.320 6.996 1.00 0.00 O ATOM 308 CB GLN A 23 1.552 6.138 8.584 1.00 0.00 C ATOM 309 CG GLN A 23 0.460 6.735 9.459 1.00 0.00 C ATOM 310 CD GLN A 23 0.519 8.250 9.511 1.00 0.00 C ATOM 311 OE1 GLN A 23 1.568 8.850 9.278 1.00 0.00 O ATOM 312 NE2 GLN A 23 -0.611 8.875 9.819 1.00 0.00 N ATOM 0 H GLN A 23 3.003 5.090 6.871 1.00 0.00 H new ATOM 0 HA GLN A 23 0.674 4.232 8.144 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.306 5.675 9.221 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.047 6.939 8.035 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.514 6.426 9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.550 6.336 10.469 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.457 8.337 10.005 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.633 9.893 9.870 1.00 0.00 H new ATOM 321 N ALA A 24 0.194 6.603 5.887 1.00 0.00 N ATOM 322 CA ALA A 24 -0.819 7.246 5.063 1.00 0.00 C ATOM 323 C ALA A 24 -1.244 6.364 3.887 1.00 0.00 C ATOM 324 O ALA A 24 -2.150 6.721 3.133 1.00 0.00 O ATOM 325 CB ALA A 24 -0.292 8.576 4.561 1.00 0.00 C ATOM 0 H ALA A 24 1.147 6.917 5.706 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.703 7.409 5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.050 9.058 3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.054 9.217 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.607 8.411 3.968 1.00 0.00 H new ATOM 331 N PHE A 25 -0.597 5.213 3.736 1.00 0.00 N ATOM 332 CA PHE A 25 -0.917 4.297 2.657 1.00 0.00 C ATOM 333 C PHE A 25 -1.922 3.252 3.129 1.00 0.00 C ATOM 334 O PHE A 25 -2.697 2.711 2.340 1.00 0.00 O ATOM 335 CB PHE A 25 0.356 3.618 2.155 1.00 0.00 C ATOM 336 CG PHE A 25 0.173 2.876 0.862 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.629 1.747 0.797 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.800 3.313 -0.293 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.800 1.071 -0.395 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.631 2.640 -1.486 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.172 1.519 -1.534 1.00 0.00 C ATOM 0 H PHE A 25 0.153 4.896 4.351 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.363 4.861 1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.132 4.372 2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.711 2.923 2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.125 1.392 1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.429 4.191 -0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.426 0.192 -0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.126 2.990 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.308 0.992 -2.467 1.00 0.00 H new ATOM 351 N SER A 26 -1.916 2.984 4.429 1.00 0.00 N ATOM 352 CA SER A 26 -2.836 2.021 5.007 1.00 0.00 C ATOM 353 C SER A 26 -4.264 2.514 4.818 1.00 0.00 C ATOM 354 O SER A 26 -5.122 1.796 4.302 1.00 0.00 O ATOM 355 CB SER A 26 -2.515 1.808 6.494 1.00 0.00 C ATOM 356 OG SER A 26 -3.582 2.221 7.334 1.00 0.00 O ATOM 0 H SER A 26 -1.284 3.421 5.100 1.00 0.00 H new ATOM 0 HA SER A 26 -2.728 1.061 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.302 0.754 6.671 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.614 2.364 6.753 1.00 0.00 H new ATOM 0 HG SER A 26 -3.339 2.067 8.271 1.00 0.00 H new ATOM 362 N THR A 27 -4.503 3.759 5.220 1.00 0.00 N ATOM 363 CA THR A 27 -5.818 4.368 5.076 1.00 0.00 C ATOM 364 C THR A 27 -6.091 4.731 3.613 1.00 0.00 C ATOM 365 O THR A 27 -7.207 5.115 3.262 1.00 0.00 O ATOM 366 CB THR A 27 -5.923 5.617 5.951 1.00 0.00 C ATOM 367 OG1 THR A 27 -7.231 6.158 5.898 1.00 0.00 O ATOM 368 CG2 THR A 27 -4.957 6.712 5.552 1.00 0.00 C ATOM 0 H THR A 27 -3.802 4.364 5.648 1.00 0.00 H new ATOM 0 HA THR A 27 -6.565 3.644 5.399 1.00 0.00 H new ATOM 0 HB THR A 27 -5.673 5.285 6.959 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.616 5.996 5.011 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.085 7.569 6.214 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.935 6.342 5.631 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.155 7.015 4.524 1.00 0.00 H new ATOM 376 N GLN A 28 -5.067 4.603 2.760 1.00 0.00 N ATOM 377 CA GLN A 28 -5.197 4.913 1.337 1.00 0.00 C ATOM 378 C GLN A 28 -6.489 4.333 0.771 1.00 0.00 C ATOM 379 O GLN A 28 -7.419 5.070 0.441 1.00 0.00 O ATOM 380 CB GLN A 28 -3.984 4.360 0.576 1.00 0.00 C ATOM 381 CG GLN A 28 -3.682 5.022 -0.771 1.00 0.00 C ATOM 382 CD GLN A 28 -4.267 6.416 -0.928 1.00 0.00 C ATOM 383 OE1 GLN A 28 -5.055 6.673 -1.838 1.00 0.00 O ATOM 384 NE2 GLN A 28 -3.880 7.324 -0.037 1.00 0.00 N ATOM 0 H GLN A 28 -4.138 4.286 3.035 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.233 5.996 1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.105 4.458 1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.139 3.294 0.409 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.601 5.077 -0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.067 4.387 -1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.225 7.067 0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.238 8.277 -0.092 1.00 0.00 H new ATOM 393 N SER A 29 -6.552 3.010 0.684 1.00 0.00 N ATOM 394 CA SER A 29 -7.743 2.344 0.185 1.00 0.00 C ATOM 395 C SER A 29 -8.163 1.218 1.122 1.00 0.00 C ATOM 396 O SER A 29 -8.827 0.267 0.710 1.00 0.00 O ATOM 397 CB SER A 29 -7.530 1.807 -1.228 1.00 0.00 C ATOM 398 OG SER A 29 -8.669 2.036 -2.039 1.00 0.00 O ATOM 0 H SER A 29 -5.795 2.382 0.952 1.00 0.00 H new ATOM 0 HA SER A 29 -8.543 3.084 0.147 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.659 2.287 -1.675 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.319 0.738 -1.186 1.00 0.00 H new ATOM 0 HG SER A 29 -8.383 2.297 -2.939 1.00 0.00 H new ATOM 404 N GLY A 30 -7.775 1.340 2.388 1.00 0.00 N ATOM 405 CA GLY A 30 -8.124 0.333 3.371 1.00 0.00 C ATOM 406 C GLY A 30 -6.975 -0.602 3.706 1.00 0.00 C ATOM 407 O GLY A 30 -7.131 -1.500 4.532 1.00 0.00 O ATOM 0 H GLY A 30 -7.225 2.119 2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.460 0.826 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.964 -0.253 2.998 1.00 0.00 H new ATOM 411 N MET A 31 -5.824 -0.408 3.066 1.00 0.00 N ATOM 412 CA MET A 31 -4.673 -1.269 3.323 1.00 0.00 C ATOM 413 C MET A 31 -4.252 -1.217 4.787 1.00 0.00 C ATOM 414 O MET A 31 -4.564 -0.266 5.505 1.00 0.00 O ATOM 415 CB MET A 31 -3.489 -0.880 2.439 1.00 0.00 C ATOM 416 CG MET A 31 -2.537 -2.034 2.168 1.00 0.00 C ATOM 417 SD MET A 31 -2.079 -2.162 0.429 1.00 0.00 S ATOM 418 CE MET A 31 -1.772 -3.918 0.278 1.00 0.00 C ATOM 0 H MET A 31 -5.665 0.326 2.376 1.00 0.00 H new ATOM 0 HA MET A 31 -4.978 -2.288 3.084 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.864 -0.496 1.490 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.939 -0.069 2.916 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.636 -1.906 2.768 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.003 -2.967 2.487 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.150 -4.272 -0.681 1.00 0.00 H new ATOM 0 HE2 MET A 31 -0.700 -4.106 0.337 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.279 -4.447 1.085 1.00 0.00 H new ATOM 428 N ASN A 32 -3.529 -2.246 5.213 1.00 0.00 N ATOM 429 CA ASN A 32 -3.040 -2.336 6.583 1.00 0.00 C ATOM 430 C ASN A 32 -1.697 -1.629 6.718 1.00 0.00 C ATOM 431 O ASN A 32 -1.267 -0.917 5.812 1.00 0.00 O ATOM 432 CB ASN A 32 -2.894 -3.790 6.982 1.00 0.00 C ATOM 433 CG ASN A 32 -3.586 -4.138 8.271 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.398 -3.377 8.797 1.00 0.00 O ATOM 435 ND2 ASN A 32 -3.252 -5.309 8.782 1.00 0.00 N ATOM 0 H ASN A 32 -3.267 -3.036 4.623 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.759 -1.850 7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.293 -4.418 6.185 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.834 -4.027 7.074 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.674 -5.623 9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.572 -5.900 8.303 1.00 0.00 H new ATOM 442 N LEU A 33 -1.031 -1.844 7.846 1.00 0.00 N ATOM 443 CA LEU A 33 0.270 -1.234 8.087 1.00 0.00 C ATOM 444 C LEU A 33 1.393 -2.228 7.804 1.00 0.00 C ATOM 445 O LEU A 33 2.452 -2.174 8.427 1.00 0.00 O ATOM 446 CB LEU A 33 0.364 -0.737 9.530 1.00 0.00 C ATOM 447 CG LEU A 33 0.813 0.717 9.687 1.00 0.00 C ATOM 448 CD1 LEU A 33 2.015 1.003 8.799 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.331 1.665 9.358 1.00 0.00 C ATOM 0 H LEU A 33 -1.369 -2.434 8.606 1.00 0.00 H new ATOM 0 HA LEU A 33 0.379 -0.385 7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.612 -0.853 10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.059 -1.377 10.074 1.00 0.00 H new ATOM 0 HG LEU A 33 1.106 0.877 10.724 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.321 2.042 8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.839 0.346 9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.748 0.826 7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.005 2.695 9.475 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.654 1.503 8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.165 1.477 10.034 1.00 0.00 H new ATOM 461 N GLU A 34 1.153 -3.138 6.863 1.00 0.00 N ATOM 462 CA GLU A 34 2.153 -4.144 6.510 1.00 0.00 C ATOM 463 C GLU A 34 2.075 -4.555 5.044 1.00 0.00 C ATOM 464 O GLU A 34 3.103 -4.783 4.406 1.00 0.00 O ATOM 465 CB GLU A 34 2.011 -5.375 7.407 1.00 0.00 C ATOM 466 CG GLU A 34 0.582 -5.882 7.521 1.00 0.00 C ATOM 467 CD GLU A 34 0.456 -7.354 7.181 1.00 0.00 C ATOM 468 OE1 GLU A 34 1.187 -7.820 6.282 1.00 0.00 O ATOM 469 OE2 GLU A 34 -0.372 -8.041 7.815 1.00 0.00 O ATOM 0 H GLU A 34 0.283 -3.200 6.335 1.00 0.00 H new ATOM 0 HA GLU A 34 3.130 -3.688 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.641 -6.174 7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.383 -5.134 8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.221 -5.715 8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.059 -5.303 6.856 1.00 0.00 H new ATOM 476 N TRP A 35 0.869 -4.629 4.500 1.00 0.00 N ATOM 477 CA TRP A 35 0.706 -4.991 3.099 1.00 0.00 C ATOM 478 C TRP A 35 0.927 -3.757 2.234 1.00 0.00 C ATOM 479 O TRP A 35 1.352 -3.854 1.083 1.00 0.00 O ATOM 480 CB TRP A 35 -0.673 -5.594 2.817 1.00 0.00 C ATOM 481 CG TRP A 35 -1.233 -6.415 3.934 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.676 -5.993 5.147 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.419 -7.813 3.912 1.00 0.00 C ATOM 484 NE1 TRP A 35 -2.141 -7.051 5.878 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.982 -8.189 5.139 1.00 0.00 C ATOM 486 CE3 TRP A 35 -1.158 -8.777 2.963 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.288 -9.505 5.437 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.465 -10.094 3.258 1.00 0.00 C ATOM 489 CH2 TRP A 35 -2.023 -10.446 4.486 1.00 0.00 C ATOM 0 H TRP A 35 -0.001 -4.446 5.000 1.00 0.00 H new ATOM 0 HA TRP A 35 1.445 -5.755 2.858 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.369 -4.786 2.593 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.608 -6.216 1.924 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.663 -4.968 5.486 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.539 -6.999 6.816 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.724 -8.511 2.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.721 -9.777 6.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.269 -10.862 2.524 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.250 -11.482 4.688 1.00 0.00 H new ATOM 500 N SER A 36 0.648 -2.590 2.814 1.00 0.00 N ATOM 501 CA SER A 36 0.828 -1.326 2.120 1.00 0.00 C ATOM 502 C SER A 36 2.306 -1.100 1.806 1.00 0.00 C ATOM 503 O SER A 36 2.645 -0.403 0.849 1.00 0.00 O ATOM 504 CB SER A 36 0.274 -0.176 2.967 1.00 0.00 C ATOM 505 OG SER A 36 0.577 -0.357 4.340 1.00 0.00 O ATOM 0 H SER A 36 0.295 -2.499 3.767 1.00 0.00 H new ATOM 0 HA SER A 36 0.278 -1.359 1.179 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.694 0.769 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.806 -0.112 2.836 1.00 0.00 H new ATOM 0 HG SER A 36 -0.188 -0.074 4.884 1.00 0.00 H new ATOM 511 N GLN A 37 3.184 -1.706 2.610 1.00 0.00 N ATOM 512 CA GLN A 37 4.624 -1.575 2.400 1.00 0.00 C ATOM 513 C GLN A 37 5.025 -2.174 1.051 1.00 0.00 C ATOM 514 O GLN A 37 5.658 -1.509 0.232 1.00 0.00 O ATOM 515 CB GLN A 37 5.399 -2.259 3.537 1.00 0.00 C ATOM 516 CG GLN A 37 6.874 -2.482 3.236 1.00 0.00 C ATOM 517 CD GLN A 37 7.775 -2.067 4.378 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.305 -1.653 5.438 1.00 0.00 O ATOM 519 NE2 GLN A 37 9.079 -2.175 4.165 1.00 0.00 N ATOM 0 H GLN A 37 2.923 -2.288 3.406 1.00 0.00 H new ATOM 0 HA GLN A 37 4.875 -0.514 2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.311 -1.653 4.439 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.934 -3.221 3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.039 -3.536 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.146 -1.921 2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.422 -2.523 3.270 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.739 -1.910 4.896 1.00 0.00 H new ATOM 528 N LYS A 38 4.657 -3.432 0.830 1.00 0.00 N ATOM 529 CA LYS A 38 4.983 -4.111 -0.418 1.00 0.00 C ATOM 530 C LYS A 38 4.545 -3.275 -1.612 1.00 0.00 C ATOM 531 O LYS A 38 5.248 -3.193 -2.620 1.00 0.00 O ATOM 532 CB LYS A 38 4.317 -5.488 -0.468 1.00 0.00 C ATOM 533 CG LYS A 38 5.105 -6.571 0.247 1.00 0.00 C ATOM 534 CD LYS A 38 5.084 -7.879 -0.528 1.00 0.00 C ATOM 535 CE LYS A 38 6.078 -8.879 0.039 1.00 0.00 C ATOM 536 NZ LYS A 38 5.479 -9.707 1.121 1.00 0.00 N ATOM 0 H LYS A 38 4.134 -4.000 1.497 1.00 0.00 H new ATOM 0 HA LYS A 38 6.064 -4.243 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.325 -5.419 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.179 -5.778 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.136 -6.243 0.382 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.688 -6.729 1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.081 -8.305 -0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.317 -7.686 -1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.434 -9.529 -0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.946 -8.347 0.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.190 -10.376 1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.162 -9.090 1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.666 -10.235 0.744 1.00 0.00 H new ATOM 550 N CYS A 39 3.383 -2.647 -1.486 1.00 0.00 N ATOM 551 CA CYS A 39 2.854 -1.805 -2.549 1.00 0.00 C ATOM 552 C CYS A 39 3.767 -0.608 -2.778 1.00 0.00 C ATOM 553 O CYS A 39 3.992 -0.189 -3.912 1.00 0.00 O ATOM 554 CB CYS A 39 1.448 -1.325 -2.190 1.00 0.00 C ATOM 555 SG CYS A 39 0.212 -2.643 -2.146 1.00 0.00 S ATOM 0 H CYS A 39 2.790 -2.705 -0.658 1.00 0.00 H new ATOM 0 HA CYS A 39 2.805 -2.392 -3.466 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.479 -0.837 -1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.136 -0.572 -2.914 1.00 0.00 H new ATOM 0 HG CYS A 39 -0.736 -2.321 -1.317 1.00 0.00 H new ATOM 561 N LEU A 40 4.291 -0.066 -1.685 1.00 0.00 N ATOM 562 CA LEU A 40 5.182 1.083 -1.749 1.00 0.00 C ATOM 563 C LEU A 40 6.633 0.670 -1.914 1.00 0.00 C ATOM 564 O LEU A 40 7.532 1.489 -1.775 1.00 0.00 O ATOM 565 CB LEU A 40 5.057 1.915 -0.492 1.00 0.00 C ATOM 566 CG LEU A 40 3.721 2.616 -0.321 1.00 0.00 C ATOM 567 CD1 LEU A 40 3.226 2.456 1.090 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.860 4.080 -0.675 1.00 0.00 C ATOM 0 H LEU A 40 4.112 -0.407 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 40 4.885 1.665 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.226 1.271 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.848 2.665 -0.490 1.00 0.00 H new ATOM 0 HG LEU A 40 2.992 2.162 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.267 2.963 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.103 1.396 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.948 2.892 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.898 4.577 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.596 4.545 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.186 4.175 -1.711 1.00 0.00 H new ATOM 580 N GLN A 41 6.869 -0.591 -2.200 1.00 0.00 N ATOM 581 CA GLN A 41 8.230 -1.067 -2.379 1.00 0.00 C ATOM 582 C GLN A 41 8.449 -1.536 -3.816 1.00 0.00 C ATOM 583 O GLN A 41 9.580 -1.564 -4.303 1.00 0.00 O ATOM 584 CB GLN A 41 8.547 -2.185 -1.382 1.00 0.00 C ATOM 585 CG GLN A 41 8.764 -1.686 0.037 1.00 0.00 C ATOM 586 CD GLN A 41 9.727 -2.557 0.820 1.00 0.00 C ATOM 587 OE1 GLN A 41 10.802 -2.110 1.220 1.00 0.00 O ATOM 588 NE2 GLN A 41 9.345 -3.809 1.042 1.00 0.00 N ATOM 0 H GLN A 41 6.147 -1.302 -2.314 1.00 0.00 H new ATOM 0 HA GLN A 41 8.913 -0.240 -2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.730 -2.906 -1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.440 -2.715 -1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.146 -0.666 0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.806 -1.651 0.557 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.445 -4.137 0.692 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.952 -4.443 1.563 1.00 0.00 H new ATOM 597 N ASP A 42 7.358 -1.874 -4.501 1.00 0.00 N ATOM 598 CA ASP A 42 7.427 -2.305 -5.890 1.00 0.00 C ATOM 599 C ASP A 42 7.357 -1.089 -6.809 1.00 0.00 C ATOM 600 O ASP A 42 7.911 -1.091 -7.909 1.00 0.00 O ATOM 601 CB ASP A 42 6.283 -3.269 -6.209 1.00 0.00 C ATOM 602 CG ASP A 42 6.696 -4.722 -6.072 1.00 0.00 C ATOM 603 OD1 ASP A 42 7.715 -4.988 -5.401 1.00 0.00 O ATOM 604 OD2 ASP A 42 5.999 -5.592 -6.635 1.00 0.00 O ATOM 0 H ASP A 42 6.415 -1.857 -4.113 1.00 0.00 H new ATOM 0 HA ASP A 42 8.372 -2.825 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.445 -3.068 -5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.932 -3.088 -7.225 1.00 0.00 H new ATOM 609 N ASN A 43 6.676 -0.048 -6.335 1.00 0.00 N ATOM 610 CA ASN A 43 6.532 1.191 -7.088 1.00 0.00 C ATOM 611 C ASN A 43 7.582 2.219 -6.664 1.00 0.00 C ATOM 612 O ASN A 43 7.772 3.232 -7.337 1.00 0.00 O ATOM 613 CB ASN A 43 5.127 1.765 -6.898 1.00 0.00 C ATOM 614 CG ASN A 43 4.050 0.843 -7.436 1.00 0.00 C ATOM 615 OD1 ASN A 43 3.374 1.164 -8.413 1.00 0.00 O ATOM 616 ND2 ASN A 43 3.884 -0.312 -6.799 1.00 0.00 N ATOM 0 H ASN A 43 6.213 -0.041 -5.426 1.00 0.00 H new ATOM 0 HA ASN A 43 6.685 0.965 -8.143 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.951 1.945 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.060 2.730 -7.401 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.174 -0.972 -7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.467 -0.538 -5.993 1.00 0.00 H new ATOM 623 N ASN A 44 8.271 1.943 -5.548 1.00 0.00 N ATOM 624 CA ASN A 44 9.319 2.822 -5.022 1.00 0.00 C ATOM 625 C ASN A 44 8.761 3.913 -4.115 1.00 0.00 C ATOM 626 O ASN A 44 9.321 5.007 -4.043 1.00 0.00 O ATOM 627 CB ASN A 44 10.142 3.454 -6.150 1.00 0.00 C ATOM 628 CG ASN A 44 11.441 4.056 -5.649 1.00 0.00 C ATOM 629 OD1 ASN A 44 11.623 4.257 -4.449 1.00 0.00 O ATOM 630 ND2 ASN A 44 12.351 4.348 -6.571 1.00 0.00 N ATOM 0 H ASN A 44 8.116 1.105 -4.987 1.00 0.00 H new ATOM 0 HA ASN A 44 9.972 2.188 -4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.362 2.698 -6.904 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.550 4.228 -6.638 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.244 4.756 -6.295 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.157 4.164 -7.555 1.00 0.00 H new ATOM 637 N TRP A 45 7.680 3.613 -3.399 1.00 0.00 N ATOM 638 CA TRP A 45 7.101 4.577 -2.479 1.00 0.00 C ATOM 639 C TRP A 45 6.555 5.805 -3.187 1.00 0.00 C ATOM 640 O TRP A 45 6.476 6.882 -2.596 1.00 0.00 O ATOM 641 CB TRP A 45 8.143 4.963 -1.433 1.00 0.00 C ATOM 642 CG TRP A 45 8.585 3.766 -0.667 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.602 2.912 -0.985 1.00 0.00 C ATOM 644 CD2 TRP A 45 7.984 3.252 0.522 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.648 1.891 -0.073 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.674 2.088 0.861 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.928 3.665 1.332 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.339 1.335 1.963 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.594 2.912 2.431 1.00 0.00 C ATOM 650 CH2 TRP A 45 7.300 1.759 2.738 1.00 0.00 C ATOM 0 H TRP A 45 7.194 2.717 -3.440 1.00 0.00 H new ATOM 0 HA TRP A 45 6.248 4.107 -1.990 1.00 0.00 H new ATOM 0 HB2 TRP A 45 9.001 5.427 -1.920 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.725 5.704 -0.751 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.269 3.024 -1.827 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.304 1.110 -0.090 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.379 4.565 1.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.883 0.435 2.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.774 3.221 3.062 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.021 1.185 3.609 1.00 0.00 H new ATOM 661 N ASP A 46 6.130 5.640 -4.438 1.00 0.00 N ATOM 662 CA ASP A 46 5.542 6.751 -5.172 1.00 0.00 C ATOM 663 C ASP A 46 4.373 7.286 -4.368 1.00 0.00 C ATOM 664 O ASP A 46 4.122 8.489 -4.317 1.00 0.00 O ATOM 665 CB ASP A 46 5.082 6.307 -6.562 1.00 0.00 C ATOM 666 CG ASP A 46 6.243 6.090 -7.514 1.00 0.00 C ATOM 667 OD1 ASP A 46 7.187 6.908 -7.494 1.00 0.00 O ATOM 668 OD2 ASP A 46 6.208 5.104 -8.279 1.00 0.00 O ATOM 0 H ASP A 46 6.181 4.762 -4.955 1.00 0.00 H new ATOM 0 HA ASP A 46 6.288 7.533 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.510 5.383 -6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.411 7.059 -6.977 1.00 0.00 H new ATOM 673 N TYR A 47 3.692 6.353 -3.709 1.00 0.00 N ATOM 674 CA TYR A 47 2.566 6.648 -2.841 1.00 0.00 C ATOM 675 C TYR A 47 1.258 6.838 -3.599 1.00 0.00 C ATOM 676 O TYR A 47 0.183 6.809 -3.001 1.00 0.00 O ATOM 677 CB TYR A 47 2.845 7.870 -1.974 1.00 0.00 C ATOM 678 CG TYR A 47 1.813 8.056 -0.898 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.620 8.706 -1.175 1.00 0.00 C ATOM 680 CD2 TYR A 47 2.024 7.575 0.388 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.336 8.877 -0.200 1.00 0.00 C ATOM 682 CE2 TYR A 47 1.074 7.743 1.369 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.108 8.397 1.070 1.00 0.00 C ATOM 684 OH TYR A 47 -1.066 8.571 2.037 1.00 0.00 O ATOM 0 H TYR A 47 3.913 5.359 -3.766 1.00 0.00 H new ATOM 0 HA TYR A 47 2.445 5.772 -2.204 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.829 7.770 -1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.874 8.760 -2.603 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.438 9.084 -2.170 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.946 7.063 0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.261 9.385 -0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.250 7.367 2.366 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.747 7.871 1.952 1.00 0.00 H new ATOM 694 N THR A 48 1.337 7.028 -4.905 1.00 0.00 N ATOM 695 CA THR A 48 0.137 7.215 -5.702 1.00 0.00 C ATOM 696 C THR A 48 -0.039 6.061 -6.678 1.00 0.00 C ATOM 697 O THR A 48 -1.120 5.485 -6.785 1.00 0.00 O ATOM 698 CB THR A 48 0.198 8.541 -6.459 1.00 0.00 C ATOM 699 OG1 THR A 48 0.496 9.609 -5.577 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.093 8.883 -7.174 1.00 0.00 C ATOM 0 H THR A 48 2.210 7.057 -5.432 1.00 0.00 H new ATOM 0 HA THR A 48 -0.721 7.237 -5.030 1.00 0.00 H new ATOM 0 HB THR A 48 0.984 8.412 -7.203 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.532 10.449 -6.081 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.981 9.836 -7.691 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.326 8.102 -7.898 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.903 8.957 -6.448 1.00 0.00 H new ATOM 708 N ARG A 49 1.035 5.724 -7.384 1.00 0.00 N ATOM 709 CA ARG A 49 1.002 4.634 -8.348 1.00 0.00 C ATOM 710 C ARG A 49 0.911 3.292 -7.635 1.00 0.00 C ATOM 711 O ARG A 49 0.334 2.338 -8.159 1.00 0.00 O ATOM 712 CB ARG A 49 2.244 4.671 -9.241 1.00 0.00 C ATOM 713 CG ARG A 49 2.051 3.984 -10.582 1.00 0.00 C ATOM 714 CD ARG A 49 2.562 2.552 -10.553 1.00 0.00 C ATOM 715 NE ARG A 49 2.643 1.973 -11.891 1.00 0.00 N ATOM 716 CZ ARG A 49 2.671 0.665 -12.127 1.00 0.00 C ATOM 717 NH1 ARG A 49 2.627 -0.193 -11.117 1.00 0.00 N ATOM 718 NH2 ARG A 49 2.744 0.215 -13.372 1.00 0.00 N ATOM 0 H ARG A 49 1.938 6.191 -7.306 1.00 0.00 H new ATOM 0 HA ARG A 49 0.117 4.758 -8.973 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.527 5.710 -9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.073 4.197 -8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.993 3.989 -10.846 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.575 4.543 -11.357 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.547 2.528 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.902 1.944 -9.934 1.00 0.00 H new ATOM 0 HE ARG A 49 2.680 2.607 -12.689 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.572 0.150 -10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.649 -1.196 -11.299 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.779 0.873 -14.151 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.765 -0.789 -13.551 1.00 0.00 H new ATOM 732 N SER A 50 1.468 3.226 -6.431 1.00 0.00 N ATOM 733 CA SER A 50 1.430 2.002 -5.647 1.00 0.00 C ATOM 734 C SER A 50 0.014 1.747 -5.164 1.00 0.00 C ATOM 735 O SER A 50 -0.629 0.789 -5.587 1.00 0.00 O ATOM 736 CB SER A 50 2.386 2.094 -4.457 1.00 0.00 C ATOM 737 OG SER A 50 2.519 3.432 -4.011 1.00 0.00 O ATOM 0 H SER A 50 1.949 4.004 -5.980 1.00 0.00 H new ATOM 0 HA SER A 50 1.749 1.172 -6.277 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.018 1.471 -3.642 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.363 1.703 -4.741 1.00 0.00 H new ATOM 0 HG SER A 50 3.365 3.533 -3.527 1.00 0.00 H new ATOM 743 N ALA A 51 -0.472 2.616 -4.287 1.00 0.00 N ATOM 744 CA ALA A 51 -1.824 2.485 -3.762 1.00 0.00 C ATOM 745 C ALA A 51 -2.864 2.518 -4.878 1.00 0.00 C ATOM 746 O ALA A 51 -4.009 2.121 -4.669 1.00 0.00 O ATOM 747 CB ALA A 51 -2.110 3.565 -2.736 1.00 0.00 C ATOM 0 H ALA A 51 0.048 3.416 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.893 1.514 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.125 3.448 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.403 3.479 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.007 4.545 -3.201 1.00 0.00 H new ATOM 753 N GLN A 52 -2.471 2.979 -6.065 1.00 0.00 N ATOM 754 CA GLN A 52 -3.396 3.026 -7.190 1.00 0.00 C ATOM 755 C GLN A 52 -3.586 1.628 -7.758 1.00 0.00 C ATOM 756 O GLN A 52 -4.695 1.238 -8.125 1.00 0.00 O ATOM 757 CB GLN A 52 -2.884 3.972 -8.279 1.00 0.00 C ATOM 758 CG GLN A 52 -3.415 5.390 -8.152 1.00 0.00 C ATOM 759 CD GLN A 52 -4.646 5.630 -9.005 1.00 0.00 C ATOM 760 OE1 GLN A 52 -5.730 5.132 -8.704 1.00 0.00 O ATOM 761 NE2 GLN A 52 -4.482 6.397 -10.077 1.00 0.00 N ATOM 0 H GLN A 52 -1.532 3.320 -6.268 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.354 3.404 -6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.795 3.996 -8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.163 3.574 -9.255 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.656 5.592 -7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.634 6.094 -8.441 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.564 6.789 -10.288 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.274 6.594 -10.689 1.00 0.00 H new ATOM 770 N ALA A 53 -2.497 0.868 -7.802 1.00 0.00 N ATOM 771 CA ALA A 53 -2.540 -0.500 -8.297 1.00 0.00 C ATOM 772 C ALA A 53 -3.090 -1.435 -7.225 1.00 0.00 C ATOM 773 O ALA A 53 -3.604 -2.512 -7.526 1.00 0.00 O ATOM 774 CB ALA A 53 -1.153 -0.946 -8.721 1.00 0.00 C ATOM 0 H ALA A 53 -1.573 1.178 -7.500 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.201 -0.537 -9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.197 -1.971 -9.090 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.786 -0.292 -9.512 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.478 -0.896 -7.867 1.00 0.00 H new ATOM 780 N PHE A 54 -2.977 -1.005 -5.972 1.00 0.00 N ATOM 781 CA PHE A 54 -3.456 -1.779 -4.844 1.00 0.00 C ATOM 782 C PHE A 54 -4.979 -1.703 -4.767 1.00 0.00 C ATOM 783 O PHE A 54 -5.646 -2.695 -4.486 1.00 0.00 O ATOM 784 CB PHE A 54 -2.793 -1.252 -3.549 1.00 0.00 C ATOM 785 CG PHE A 54 -3.736 -0.987 -2.405 1.00 0.00 C ATOM 786 CD1 PHE A 54 -4.301 -2.038 -1.707 1.00 0.00 C ATOM 787 CD2 PHE A 54 -4.059 0.308 -2.039 1.00 0.00 C ATOM 788 CE1 PHE A 54 -5.165 -1.803 -0.662 1.00 0.00 C ATOM 789 CE2 PHE A 54 -4.925 0.550 -0.994 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.475 -0.510 -0.304 1.00 0.00 C ATOM 0 H PHE A 54 -2.552 -0.114 -5.716 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.185 -2.828 -4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.046 -1.976 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.262 -0.329 -3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.062 -3.054 -1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.628 1.138 -2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.600 -2.632 -0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.171 1.564 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.150 -0.326 0.519 1.00 0.00 H new ATOM 800 N THR A 55 -5.509 -0.510 -5.004 1.00 0.00 N ATOM 801 CA THR A 55 -6.943 -0.289 -4.954 1.00 0.00 C ATOM 802 C THR A 55 -7.625 -1.019 -6.101 1.00 0.00 C ATOM 803 O THR A 55 -8.648 -1.679 -5.913 1.00 0.00 O ATOM 804 CB THR A 55 -7.239 1.207 -5.011 1.00 0.00 C ATOM 805 OG1 THR A 55 -6.861 1.836 -3.802 1.00 0.00 O ATOM 806 CG2 THR A 55 -8.695 1.541 -5.268 1.00 0.00 C ATOM 0 H THR A 55 -4.963 0.320 -5.233 1.00 0.00 H new ATOM 0 HA THR A 55 -7.335 -0.684 -4.017 1.00 0.00 H new ATOM 0 HB THR A 55 -6.656 1.575 -5.855 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.905 2.048 -3.829 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.821 2.623 -5.294 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.002 1.117 -6.224 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.310 1.123 -4.471 1.00 0.00 H new ATOM 814 N HIS A 56 -7.037 -0.914 -7.284 1.00 0.00 N ATOM 815 CA HIS A 56 -7.570 -1.583 -8.458 1.00 0.00 C ATOM 816 C HIS A 56 -7.505 -3.092 -8.267 1.00 0.00 C ATOM 817 O HIS A 56 -8.276 -3.841 -8.866 1.00 0.00 O ATOM 818 CB HIS A 56 -6.774 -1.185 -9.699 1.00 0.00 C ATOM 819 CG HIS A 56 -7.411 -1.615 -10.984 1.00 0.00 C ATOM 820 ND1 HIS A 56 -6.743 -1.682 -12.186 1.00 0.00 N ATOM 821 CD2 HIS A 56 -8.685 -2.009 -11.239 1.00 0.00 C ATOM 822 CE1 HIS A 56 -7.613 -2.103 -13.115 1.00 0.00 C ATOM 823 NE2 HIS A 56 -8.805 -2.315 -12.593 1.00 0.00 N ATOM 0 H HIS A 56 -6.190 -0.371 -7.455 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.609 -1.282 -8.593 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.650 -0.102 -9.709 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.776 -1.619 -9.635 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.478 -2.075 -10.509 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.369 -2.250 -14.157 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.642 -2.636 -13.080 1.00 0.00 H new ATOM 831 N LEU A 57 -6.569 -3.529 -7.427 1.00 0.00 N ATOM 832 CA LEU A 57 -6.388 -4.947 -7.152 1.00 0.00 C ATOM 833 C LEU A 57 -6.947 -5.331 -5.779 1.00 0.00 C ATOM 834 O LEU A 57 -6.912 -6.502 -5.399 1.00 0.00 O ATOM 835 CB LEU A 57 -4.899 -5.302 -7.234 1.00 0.00 C ATOM 836 CG LEU A 57 -4.514 -6.665 -6.657 1.00 0.00 C ATOM 837 CD1 LEU A 57 -3.406 -7.301 -7.481 1.00 0.00 C ATOM 838 CD2 LEU A 57 -4.088 -6.526 -5.204 1.00 0.00 C ATOM 0 H LEU A 57 -5.925 -2.918 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.941 -5.511 -7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.593 -5.270 -8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.331 -4.532 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.387 -7.316 -6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.146 -8.270 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.747 -7.436 -8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.529 -6.654 -7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.817 -7.505 -4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.229 -5.858 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.912 -6.115 -4.621 1.00 0.00 H new ATOM 850 N LYS A 58 -7.461 -4.356 -5.029 1.00 0.00 N ATOM 851 CA LYS A 58 -8.011 -4.645 -3.707 1.00 0.00 C ATOM 852 C LYS A 58 -9.049 -5.757 -3.787 1.00 0.00 C ATOM 853 O LYS A 58 -9.141 -6.601 -2.896 1.00 0.00 O ATOM 854 CB LYS A 58 -8.635 -3.394 -3.088 1.00 0.00 C ATOM 855 CG LYS A 58 -7.701 -2.638 -2.162 1.00 0.00 C ATOM 856 CD LYS A 58 -8.474 -1.693 -1.254 1.00 0.00 C ATOM 857 CE LYS A 58 -9.409 -0.790 -2.043 1.00 0.00 C ATOM 858 NZ LYS A 58 -10.652 -1.501 -2.456 1.00 0.00 N ATOM 0 H LYS A 58 -7.508 -3.376 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.190 -4.974 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.958 -2.727 -3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.528 -3.681 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.133 -3.345 -1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.980 -2.072 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.051 -2.272 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.774 -1.082 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.671 0.078 -1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.893 -0.418 -2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.467 -0.863 -2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.568 -1.798 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.789 -2.338 -1.855 1.00 0.00 H new ATOM 872 N ALA A 59 -9.828 -5.751 -4.861 1.00 0.00 N ATOM 873 CA ALA A 59 -10.860 -6.759 -5.064 1.00 0.00 C ATOM 874 C ALA A 59 -10.807 -7.325 -6.480 1.00 0.00 C ATOM 875 O ALA A 59 -11.795 -7.865 -6.980 1.00 0.00 O ATOM 876 CB ALA A 59 -12.232 -6.168 -4.787 1.00 0.00 C ATOM 0 H ALA A 59 -9.764 -5.058 -5.606 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.676 -7.576 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.995 -6.931 -4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.275 -5.816 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -12.412 -5.332 -5.464 1.00 0.00 H new ATOM 882 N LYS A 60 -9.652 -7.198 -7.122 1.00 0.00 N ATOM 883 CA LYS A 60 -9.473 -7.694 -8.481 1.00 0.00 C ATOM 884 C LYS A 60 -8.374 -8.750 -8.542 1.00 0.00 C ATOM 885 O LYS A 60 -8.528 -9.780 -9.198 1.00 0.00 O ATOM 886 CB LYS A 60 -9.138 -6.540 -9.427 1.00 0.00 C ATOM 887 CG LYS A 60 -9.707 -6.713 -10.825 1.00 0.00 C ATOM 888 CD LYS A 60 -9.100 -7.916 -11.528 1.00 0.00 C ATOM 889 CE LYS A 60 -8.786 -7.610 -12.984 1.00 0.00 C ATOM 890 NZ LYS A 60 -8.437 -8.839 -13.748 1.00 0.00 N ATOM 0 H LYS A 60 -8.824 -6.755 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.409 -8.155 -8.795 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.518 -5.611 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.055 -6.440 -9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.789 -6.832 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.516 -5.814 -11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.188 -8.217 -11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.790 -8.758 -11.473 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.647 -7.127 -13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.958 -6.903 -13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.230 -8.587 -14.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.600 -9.287 -13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.237 -9.503 -13.721 1.00 0.00 H new ATOM 904 N GLY A 61 -7.266 -8.487 -7.858 1.00 0.00 N ATOM 905 CA GLY A 61 -6.161 -9.431 -7.856 1.00 0.00 C ATOM 906 C GLY A 61 -6.240 -10.415 -6.707 1.00 0.00 C ATOM 907 O GLY A 61 -6.824 -11.490 -6.843 1.00 0.00 O ATOM 0 H GLY A 61 -7.112 -7.642 -7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.153 -9.978 -8.799 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.220 -8.884 -7.797 1.00 0.00 H new ATOM 911 N GLU A 62 -5.650 -10.054 -5.571 1.00 0.00 N ATOM 912 CA GLU A 62 -5.663 -10.926 -4.402 1.00 0.00 C ATOM 913 C GLU A 62 -5.106 -10.220 -3.168 1.00 0.00 C ATOM 914 O GLU A 62 -3.892 -10.150 -2.974 1.00 0.00 O ATOM 915 CB GLU A 62 -4.855 -12.195 -4.681 1.00 0.00 C ATOM 916 CG GLU A 62 -5.523 -13.464 -4.179 1.00 0.00 C ATOM 917 CD GLU A 62 -4.640 -14.687 -4.328 1.00 0.00 C ATOM 918 OE1 GLU A 62 -3.741 -14.877 -3.482 1.00 0.00 O ATOM 919 OE2 GLU A 62 -4.845 -15.454 -5.292 1.00 0.00 O ATOM 0 H GLU A 62 -5.160 -9.170 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.701 -11.192 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.690 -12.282 -5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.874 -12.101 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.790 -13.339 -3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.452 -13.622 -4.727 1.00 0.00 H new ATOM 926 N ILE A 63 -6.005 -9.715 -2.329 1.00 0.00 N ATOM 927 CA ILE A 63 -5.613 -9.034 -1.101 1.00 0.00 C ATOM 928 C ILE A 63 -6.338 -9.643 0.092 1.00 0.00 C ATOM 929 O ILE A 63 -7.542 -9.446 0.256 1.00 0.00 O ATOM 930 CB ILE A 63 -5.922 -7.512 -1.158 1.00 0.00 C ATOM 931 CG1 ILE A 63 -5.003 -6.834 -2.182 1.00 0.00 C ATOM 932 CG2 ILE A 63 -5.772 -6.863 0.225 1.00 0.00 C ATOM 933 CD1 ILE A 63 -4.999 -5.321 -2.103 1.00 0.00 C ATOM 0 H ILE A 63 -7.013 -9.765 -2.478 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.536 -9.162 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.958 -7.380 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.986 -7.197 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.310 -7.134 -3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.994 -5.798 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.464 -7.332 0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.751 -6.997 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.325 -4.919 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.007 -4.945 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.662 -5.009 -1.114 1.00 0.00 H new ATOM 945 N PRO A 64 -5.621 -10.365 0.963 1.00 0.00 N ATOM 946 CA PRO A 64 -6.231 -10.954 2.147 1.00 0.00 C ATOM 947 C PRO A 64 -6.967 -9.885 2.941 1.00 0.00 C ATOM 948 O PRO A 64 -6.487 -8.760 3.064 1.00 0.00 O ATOM 949 CB PRO A 64 -5.031 -11.495 2.925 1.00 0.00 C ATOM 950 CG PRO A 64 -4.003 -11.751 1.885 1.00 0.00 C ATOM 951 CD PRO A 64 -4.173 -10.639 0.893 1.00 0.00 C ATOM 0 HA PRO A 64 -6.968 -11.725 1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.679 -10.775 3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.286 -12.407 3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.000 -11.750 2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.149 -12.724 1.416 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.581 -9.763 1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.865 -10.939 -0.109 1.00 0.00 H new ATOM 959 N GLU A 65 -8.137 -10.224 3.457 1.00 0.00 N ATOM 960 CA GLU A 65 -8.932 -9.268 4.218 1.00 0.00 C ATOM 961 C GLU A 65 -8.186 -8.806 5.463 1.00 0.00 C ATOM 962 O GLU A 65 -8.397 -7.699 5.953 1.00 0.00 O ATOM 963 CB GLU A 65 -10.266 -9.875 4.609 1.00 0.00 C ATOM 964 CG GLU A 65 -10.866 -10.787 3.550 1.00 0.00 C ATOM 965 CD GLU A 65 -12.336 -11.068 3.787 1.00 0.00 C ATOM 966 OE1 GLU A 65 -12.648 -11.888 4.675 1.00 0.00 O ATOM 967 OE2 GLU A 65 -13.176 -10.467 3.084 1.00 0.00 O ATOM 0 H GLU A 65 -8.558 -11.149 3.365 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.111 -8.402 3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.139 -10.441 5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.970 -9.071 4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.741 -10.329 2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.318 -11.729 3.534 1.00 0.00 H new ATOM 974 N VAL A 66 -7.305 -9.663 5.964 1.00 0.00 N ATOM 975 CA VAL A 66 -6.501 -9.346 7.148 1.00 0.00 C ATOM 976 C VAL A 66 -5.902 -7.939 7.018 1.00 0.00 C ATOM 977 O VAL A 66 -5.659 -7.258 8.014 1.00 0.00 O ATOM 978 CB VAL A 66 -5.374 -10.404 7.344 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.823 -10.844 6.005 1.00 0.00 C ATOM 980 CG2 VAL A 66 -4.233 -9.895 8.216 1.00 0.00 C ATOM 0 H VAL A 66 -7.126 -10.587 5.571 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.148 -9.371 8.025 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.831 -11.250 7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.037 -11.583 6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.623 -11.284 5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.412 -9.982 5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.477 -10.674 8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.787 -9.015 7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.618 -9.632 9.201 1.00 0.00 H new ATOM 990 N ALA A 67 -5.680 -7.518 5.776 1.00 0.00 N ATOM 991 CA ALA A 67 -5.123 -6.202 5.491 1.00 0.00 C ATOM 992 C ALA A 67 -6.116 -5.096 5.840 1.00 0.00 C ATOM 993 O ALA A 67 -5.764 -4.118 6.498 1.00 0.00 O ATOM 994 CB ALA A 67 -4.731 -6.111 4.025 1.00 0.00 C ATOM 0 H ALA A 67 -5.880 -8.076 4.946 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.236 -6.066 6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.316 -5.124 3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.985 -6.873 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.611 -6.270 3.402 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.358 -5.259 5.384 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.413 -4.280 5.642 1.00 0.00 C ATOM 1002 C PHE A 68 -9.075 -4.513 7.001 1.00 0.00 C ATOM 1003 O PHE A 68 -10.302 -4.513 7.106 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.483 -4.344 4.546 1.00 0.00 C ATOM 1005 CG PHE A 68 -8.945 -4.487 3.165 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.410 -3.401 2.507 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -8.993 -5.705 2.519 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -7.926 -3.525 1.229 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.515 -5.838 1.239 1.00 0.00 C ATOM 1010 CZ PHE A 68 -7.977 -4.747 0.588 1.00 0.00 C ATOM 0 H PHE A 68 -7.658 -6.063 4.832 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.946 -3.295 5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -10.147 -5.184 4.752 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.089 -3.439 4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.371 -2.442 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.411 -6.563 3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.505 -2.667 0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.560 -6.796 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.598 -4.848 -0.418 1.00 0.00 H new ATOM 1020 N MET A 69 -8.267 -4.710 8.040 1.00 0.00 N ATOM 1021 CA MET A 69 -8.791 -4.939 9.385 1.00 0.00 C ATOM 1022 C MET A 69 -9.895 -5.992 9.374 1.00 0.00 C ATOM 1023 O MET A 69 -11.080 -5.662 9.307 1.00 0.00 O ATOM 1024 CB MET A 69 -9.322 -3.633 9.976 1.00 0.00 C ATOM 1025 CG MET A 69 -8.940 -3.424 11.432 1.00 0.00 C ATOM 1026 SD MET A 69 -9.726 -1.972 12.156 1.00 0.00 S ATOM 1027 CE MET A 69 -8.443 -1.414 13.274 1.00 0.00 C ATOM 0 H MET A 69 -7.249 -4.716 7.977 1.00 0.00 H new ATOM 0 HA MET A 69 -7.974 -5.307 10.005 1.00 0.00 H new ATOM 0 HB2 MET A 69 -8.945 -2.797 9.387 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.408 -3.620 9.889 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.218 -4.307 12.007 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.857 -3.322 11.508 1.00 0.00 H new ATOM 0 HE1 MET A 69 -8.780 -0.520 13.798 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.225 -2.199 13.999 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.541 -1.184 12.707 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.500 -7.260 9.441 1.00 0.00 N ATOM 1038 CA LYS A 70 -10.459 -8.359 9.440 1.00 0.00 C ATOM 1039 C LYS A 70 -10.120 -9.377 10.525 1.00 0.00 C ATOM 1040 O LYS A 70 -10.731 -10.467 10.524 1.00 0.00 O ATOM 1041 CB LYS A 70 -10.480 -9.044 8.071 1.00 0.00 C ATOM 1042 CG LYS A 70 -11.855 -9.064 7.422 1.00 0.00 C ATOM 1043 CD LYS A 70 -12.360 -7.658 7.143 1.00 0.00 C ATOM 1044 CE LYS A 70 -11.658 -7.040 5.945 1.00 0.00 C ATOM 1045 NZ LYS A 70 -12.397 -7.293 4.677 1.00 0.00 N ATOM 1046 OXT LYS A 70 -9.248 -9.075 11.366 1.00 0.00 O ATOM 0 H LYS A 70 -8.524 -7.551 9.497 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.447 -7.947 9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.782 -8.534 7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.124 -10.068 8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.810 -9.627 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.559 -9.582 8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.434 -7.686 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.201 -7.032 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.557 -5.966 6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.650 -7.447 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.718 -7.437 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.987 -8.143 4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.002 -6.476 4.459 1.00 0.00 H new TER 1060 LYS A 70