USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=21 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 43 ASN :FLIP amide:sc= -3.48! F(o=-5.5,f=-3.5!) USER MOD Set 1.2: A 50 SER OG : rot -67:sc= -0.0272 USER MOD Set 2.1: A 18 GLN : amide:sc= -0.0723 K(o=-0.61,f=-6.2!) USER MOD Set 2.2: A 37 GLN : amide:sc= -0.577 K(o=-0.61,f=-7.1!) USER MOD Set 2.3: A 41 GLN : amide:sc= 0.0376 K(o=-0.61,f=-3.9!) USER MOD Set 3.1: A 31 MET CE :methyl -164:sc= -9.98! (180deg=-11.7!) USER MOD Set 3.2: A 39 CYS SG : rot -167:sc= -0.67 USER MOD Set 4.1: A 27 THR OG1 : rot -71:sc= 0.488 USER MOD Set 4.2: A 28 GLN :FLIP amide:sc= -1.23 F(o=-2.3!,f=-0.74) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 20:sc= -0.337 USER MOD Single : A 8 SER OG : rot 47:sc= 0.865 USER MOD Single : A 9 SER OG : rot -69:sc= 0.54 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 15 SER OG : rot -63:sc= -0.416! USER MOD Single : A 19 GLN : amide:sc= -0.278 K(o=-0.28,f=-1.5!) USER MOD Single : A 21 MET CE :methyl -150:sc= -3.74! (180deg=-4.75!) USER MOD Single : A 23 GLN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 26 SER OG : rot -73:sc= 0.65 USER MOD Single : A 29 SER OG : rot -48:sc= 0.00853 USER MOD Single : A 32 ASN : amide:sc= -2.2! C(o=-2.2!,f=-5.1!) USER MOD Single : A 36 SER OG : rot 94:sc= -6.31! USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= -0.0147 (180deg=-0.217) USER MOD Single : A 44 ASN : amide:sc= -1.78! C(o=-1.8!,f=-4!) USER MOD Single : A 47 TYR OH : rot 79:sc= -3.58! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -59:sc= 0.723 USER MOD Single : A 56 HIS : no HD1:sc=-0.00193 X(o=-0.0019,f=-0.0024) USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= -6.66! (180deg=-10.3!) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 23.369 -13.475 16.111 1.00 0.00 N ATOM 2 CA PRO A 2 23.621 -13.824 17.538 1.00 0.00 C ATOM 3 C PRO A 2 24.790 -13.034 18.129 1.00 0.00 C ATOM 4 O PRO A 2 25.165 -11.979 17.616 1.00 0.00 O ATOM 5 CB PRO A 2 23.916 -15.320 17.594 1.00 0.00 C ATOM 6 CG PRO A 2 23.763 -15.788 16.184 1.00 0.00 C ATOM 7 CD PRO A 2 23.930 -14.569 15.306 1.00 0.00 C ATOM 0 HA PRO A 2 22.744 -13.568 18.132 1.00 0.00 H new ATOM 0 HB2 PRO A 2 24.922 -15.512 17.968 1.00 0.00 H new ATOM 0 HB3 PRO A 2 23.224 -15.836 18.260 1.00 0.00 H new ATOM 0 HG2 PRO A 2 24.510 -16.545 15.943 1.00 0.00 H new ATOM 0 HG3 PRO A 2 22.785 -16.245 16.031 1.00 0.00 H new ATOM 0 HD2 PRO A 2 24.978 -14.391 15.065 1.00 0.00 H new ATOM 0 HD3 PRO A 2 23.400 -14.682 14.360 1.00 0.00 H new ATOM 17 N ALA A 3 25.360 -13.553 19.211 1.00 0.00 N ATOM 18 CA ALA A 3 26.482 -12.898 19.872 1.00 0.00 C ATOM 19 C ALA A 3 27.610 -12.612 18.884 1.00 0.00 C ATOM 20 O ALA A 3 27.952 -11.455 18.638 1.00 0.00 O ATOM 21 CB ALA A 3 26.990 -13.756 21.021 1.00 0.00 C ATOM 0 H ALA A 3 25.063 -14.425 19.649 1.00 0.00 H new ATOM 0 HA ALA A 3 26.132 -11.946 20.270 1.00 0.00 H new ATOM 0 HB1 ALA A 3 27.828 -13.255 21.506 1.00 0.00 H new ATOM 0 HB2 ALA A 3 26.189 -13.906 21.745 1.00 0.00 H new ATOM 0 HB3 ALA A 3 27.318 -14.722 20.637 1.00 0.00 H new ATOM 27 N PRO A 4 28.206 -13.668 18.303 1.00 0.00 N ATOM 28 CA PRO A 4 29.301 -13.523 17.338 1.00 0.00 C ATOM 29 C PRO A 4 28.830 -12.936 16.012 1.00 0.00 C ATOM 30 O PRO A 4 27.720 -12.415 15.911 1.00 0.00 O ATOM 31 CB PRO A 4 29.795 -14.958 17.142 1.00 0.00 C ATOM 32 CG PRO A 4 28.619 -15.811 17.467 1.00 0.00 C ATOM 33 CD PRO A 4 27.861 -15.082 18.540 1.00 0.00 C ATOM 0 HA PRO A 4 30.071 -12.839 17.695 1.00 0.00 H new ATOM 0 HB2 PRO A 4 30.134 -15.124 16.119 1.00 0.00 H new ATOM 0 HB3 PRO A 4 30.638 -15.179 17.797 1.00 0.00 H new ATOM 0 HG2 PRO A 4 27.995 -15.967 16.587 1.00 0.00 H new ATOM 0 HG3 PRO A 4 28.935 -16.795 17.813 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.787 -15.252 18.460 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.162 -15.407 19.536 1.00 0.00 H new ATOM 41 N THR A 5 29.682 -13.027 14.995 1.00 0.00 N ATOM 42 CA THR A 5 29.352 -12.505 13.674 1.00 0.00 C ATOM 43 C THR A 5 29.178 -10.988 13.715 1.00 0.00 C ATOM 44 O THR A 5 28.092 -10.473 13.451 1.00 0.00 O ATOM 45 CB THR A 5 28.076 -13.162 13.146 1.00 0.00 C ATOM 46 OG1 THR A 5 28.053 -14.541 13.468 1.00 0.00 O ATOM 47 CG2 THR A 5 27.915 -13.037 11.646 1.00 0.00 C ATOM 0 H THR A 5 30.605 -13.457 15.061 1.00 0.00 H new ATOM 0 HA THR A 5 30.178 -12.740 13.002 1.00 0.00 H new ATOM 0 HB THR A 5 27.256 -12.630 13.628 1.00 0.00 H new ATOM 0 HG1 THR A 5 27.229 -14.944 13.124 1.00 0.00 H new ATOM 0 HG21 THR A 5 26.990 -13.524 11.338 1.00 0.00 H new ATOM 0 HG22 THR A 5 27.879 -11.983 11.370 1.00 0.00 H new ATOM 0 HG23 THR A 5 28.760 -13.514 11.148 1.00 0.00 H new ATOM 55 N PRO A 6 30.252 -10.252 14.046 1.00 0.00 N ATOM 56 CA PRO A 6 30.213 -8.787 14.120 1.00 0.00 C ATOM 57 C PRO A 6 29.639 -8.159 12.853 1.00 0.00 C ATOM 58 O PRO A 6 29.136 -7.037 12.878 1.00 0.00 O ATOM 59 CB PRO A 6 31.683 -8.399 14.289 1.00 0.00 C ATOM 60 CG PRO A 6 32.318 -9.590 14.920 1.00 0.00 C ATOM 61 CD PRO A 6 31.587 -10.786 14.375 1.00 0.00 C ATOM 0 HA PRO A 6 29.571 -8.437 14.929 1.00 0.00 H new ATOM 0 HB2 PRO A 6 32.144 -8.166 13.329 1.00 0.00 H new ATOM 0 HB3 PRO A 6 31.789 -7.514 14.917 1.00 0.00 H new ATOM 0 HG2 PRO A 6 33.380 -9.639 14.680 1.00 0.00 H new ATOM 0 HG3 PRO A 6 32.238 -9.545 16.006 1.00 0.00 H new ATOM 0 HD2 PRO A 6 32.084 -11.194 13.495 1.00 0.00 H new ATOM 0 HD3 PRO A 6 31.528 -11.590 15.109 1.00 0.00 H new ATOM 69 N SER A 7 29.719 -8.892 11.747 1.00 0.00 N ATOM 70 CA SER A 7 29.208 -8.408 10.471 1.00 0.00 C ATOM 71 C SER A 7 27.742 -8.003 10.591 1.00 0.00 C ATOM 72 O SER A 7 26.895 -8.808 10.978 1.00 0.00 O ATOM 73 CB SER A 7 29.366 -9.482 9.394 1.00 0.00 C ATOM 74 OG SER A 7 28.542 -10.603 9.665 1.00 0.00 O ATOM 0 H SER A 7 30.133 -9.823 11.709 1.00 0.00 H new ATOM 0 HA SER A 7 29.787 -7.530 10.185 1.00 0.00 H new ATOM 0 HB2 SER A 7 29.109 -9.065 8.420 1.00 0.00 H new ATOM 0 HB3 SER A 7 30.408 -9.797 9.341 1.00 0.00 H new ATOM 0 HG SER A 7 27.830 -10.343 10.287 1.00 0.00 H new ATOM 80 N SER A 8 27.450 -6.751 10.255 1.00 0.00 N ATOM 81 CA SER A 8 26.087 -6.238 10.325 1.00 0.00 C ATOM 82 C SER A 8 25.861 -5.148 9.283 1.00 0.00 C ATOM 83 O SER A 8 26.007 -3.961 9.570 1.00 0.00 O ATOM 84 CB SER A 8 25.796 -5.692 11.724 1.00 0.00 C ATOM 85 OG SER A 8 26.678 -4.630 12.050 1.00 0.00 O ATOM 0 H SER A 8 28.140 -6.073 9.931 1.00 0.00 H new ATOM 0 HA SER A 8 25.405 -7.062 10.115 1.00 0.00 H new ATOM 0 HB2 SER A 8 24.765 -5.341 11.774 1.00 0.00 H new ATOM 0 HB3 SER A 8 25.897 -6.491 12.458 1.00 0.00 H new ATOM 0 HG SER A 8 26.727 -4.003 11.298 1.00 0.00 H new ATOM 91 N SER A 9 25.503 -5.561 8.071 1.00 0.00 N ATOM 92 CA SER A 9 25.257 -4.619 6.985 1.00 0.00 C ATOM 93 C SER A 9 23.922 -4.910 6.303 1.00 0.00 C ATOM 94 O SER A 9 23.880 -5.539 5.246 1.00 0.00 O ATOM 95 CB SER A 9 26.391 -4.682 5.960 1.00 0.00 C ATOM 96 OG SER A 9 26.012 -4.066 4.741 1.00 0.00 O ATOM 0 H SER A 9 25.377 -6.541 7.817 1.00 0.00 H new ATOM 0 HA SER A 9 25.216 -3.616 7.410 1.00 0.00 H new ATOM 0 HB2 SER A 9 27.276 -4.188 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 9 26.662 -5.722 5.777 1.00 0.00 H new ATOM 0 HG SER A 9 25.327 -4.610 4.299 1.00 0.00 H new ATOM 102 N PRO A 10 22.809 -4.454 6.904 1.00 0.00 N ATOM 103 CA PRO A 10 21.469 -4.669 6.347 1.00 0.00 C ATOM 104 C PRO A 10 21.373 -4.243 4.887 1.00 0.00 C ATOM 105 O PRO A 10 21.692 -3.106 4.539 1.00 0.00 O ATOM 106 CB PRO A 10 20.576 -3.787 7.222 1.00 0.00 C ATOM 107 CG PRO A 10 21.306 -3.671 8.515 1.00 0.00 C ATOM 108 CD PRO A 10 22.769 -3.694 8.167 1.00 0.00 C ATOM 0 HA PRO A 10 21.189 -5.722 6.354 1.00 0.00 H new ATOM 0 HB2 PRO A 10 20.419 -2.809 6.767 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.592 -4.235 7.362 1.00 0.00 H new ATOM 0 HG2 PRO A 10 21.042 -2.748 9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 10 21.051 -4.494 9.183 1.00 0.00 H new ATOM 0 HD2 PRO A 10 23.168 -2.687 8.043 1.00 0.00 H new ATOM 0 HD3 PRO A 10 23.359 -4.177 8.945 1.00 0.00 H new ATOM 116 N VAL A 11 20.931 -5.163 4.035 1.00 0.00 N ATOM 117 CA VAL A 11 20.793 -4.881 2.611 1.00 0.00 C ATOM 118 C VAL A 11 19.556 -4.025 2.287 1.00 0.00 C ATOM 119 O VAL A 11 19.591 -3.245 1.336 1.00 0.00 O ATOM 120 CB VAL A 11 20.755 -6.179 1.773 1.00 0.00 C ATOM 121 CG1 VAL A 11 21.932 -7.074 2.127 1.00 0.00 C ATOM 122 CG2 VAL A 11 19.441 -6.923 1.963 1.00 0.00 C ATOM 0 H VAL A 11 20.663 -6.109 4.306 1.00 0.00 H new ATOM 0 HA VAL A 11 21.678 -4.305 2.341 1.00 0.00 H new ATOM 0 HB VAL A 11 20.831 -5.901 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 11 21.890 -7.984 1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 11 22.864 -6.547 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.887 -7.334 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 11 19.447 -7.831 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 11 19.320 -7.186 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 11 18.614 -6.286 1.651 1.00 0.00 H new ATOM 132 N PRO A 12 18.443 -4.139 3.051 1.00 0.00 N ATOM 133 CA PRO A 12 17.242 -3.343 2.782 1.00 0.00 C ATOM 134 C PRO A 12 17.567 -1.882 2.492 1.00 0.00 C ATOM 135 O PRO A 12 18.201 -1.204 3.301 1.00 0.00 O ATOM 136 CB PRO A 12 16.442 -3.467 4.077 1.00 0.00 C ATOM 137 CG PRO A 12 16.818 -4.800 4.619 1.00 0.00 C ATOM 138 CD PRO A 12 18.254 -5.025 4.222 1.00 0.00 C ATOM 0 HA PRO A 12 16.708 -3.694 1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 12 16.692 -2.669 4.776 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.370 -3.402 3.889 1.00 0.00 H new ATOM 0 HG2 PRO A 12 16.705 -4.826 5.703 1.00 0.00 H new ATOM 0 HG3 PRO A 12 16.175 -5.581 4.213 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.937 -4.768 5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.439 -6.069 3.967 1.00 0.00 H new ATOM 146 N THR A 13 17.128 -1.402 1.333 1.00 0.00 N ATOM 147 CA THR A 13 17.373 -0.020 0.936 1.00 0.00 C ATOM 148 C THR A 13 16.134 0.840 1.167 1.00 0.00 C ATOM 149 O THR A 13 15.253 0.918 0.312 1.00 0.00 O ATOM 150 CB THR A 13 17.786 0.045 -0.535 1.00 0.00 C ATOM 151 OG1 THR A 13 17.244 -1.048 -1.256 1.00 0.00 O ATOM 152 CG2 THR A 13 19.286 0.030 -0.736 1.00 0.00 C ATOM 0 H THR A 13 16.601 -1.949 0.652 1.00 0.00 H new ATOM 0 HA THR A 13 18.184 0.370 1.551 1.00 0.00 H new ATOM 0 HB THR A 13 17.396 0.994 -0.904 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.518 -0.988 -2.195 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.511 0.078 -1.801 1.00 0.00 H new ATOM 0 HG22 THR A 13 19.729 0.889 -0.232 1.00 0.00 H new ATOM 0 HG23 THR A 13 19.700 -0.888 -0.319 1.00 0.00 H new ATOM 160 N LEU A 14 16.075 1.484 2.328 1.00 0.00 N ATOM 161 CA LEU A 14 14.945 2.339 2.672 1.00 0.00 C ATOM 162 C LEU A 14 15.377 3.464 3.610 1.00 0.00 C ATOM 163 O LEU A 14 16.560 3.791 3.706 1.00 0.00 O ATOM 164 CB LEU A 14 13.833 1.514 3.326 1.00 0.00 C ATOM 165 CG LEU A 14 12.448 1.613 2.672 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.436 0.836 3.483 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.999 3.056 2.508 1.00 0.00 C ATOM 0 H LEU A 14 16.797 1.430 3.047 1.00 0.00 H new ATOM 0 HA LEU A 14 14.566 2.783 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 14 14.138 0.467 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.744 1.822 4.368 1.00 0.00 H new ATOM 0 HG LEU A 14 12.521 1.180 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.456 0.912 3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.735 -0.211 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.386 1.246 4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.014 3.080 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.949 3.535 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.712 3.590 1.879 1.00 0.00 H new ATOM 179 N SER A 15 14.401 4.053 4.287 1.00 0.00 N ATOM 180 CA SER A 15 14.629 5.152 5.218 1.00 0.00 C ATOM 181 C SER A 15 13.301 5.523 5.865 1.00 0.00 C ATOM 182 O SER A 15 12.312 4.829 5.665 1.00 0.00 O ATOM 183 CB SER A 15 15.223 6.364 4.483 1.00 0.00 C ATOM 184 OG SER A 15 15.584 6.047 3.149 1.00 0.00 O ATOM 0 H SER A 15 13.421 3.780 4.206 1.00 0.00 H new ATOM 0 HA SER A 15 15.340 4.843 5.984 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.498 7.178 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.101 6.721 5.022 1.00 0.00 H new ATOM 0 HG SER A 15 16.291 5.368 3.154 1.00 0.00 H new ATOM 190 N PRO A 16 13.239 6.613 6.647 1.00 0.00 N ATOM 191 CA PRO A 16 11.987 7.030 7.283 1.00 0.00 C ATOM 192 C PRO A 16 10.841 7.095 6.274 1.00 0.00 C ATOM 193 O PRO A 16 9.675 6.981 6.639 1.00 0.00 O ATOM 194 CB PRO A 16 12.317 8.420 7.830 1.00 0.00 C ATOM 195 CG PRO A 16 13.790 8.386 8.057 1.00 0.00 C ATOM 196 CD PRO A 16 14.356 7.517 6.972 1.00 0.00 C ATOM 0 HA PRO A 16 11.652 6.334 8.052 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.041 9.202 7.122 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.777 8.622 8.755 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.215 9.389 8.015 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.024 7.982 9.042 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.664 8.103 6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.233 6.967 7.313 1.00 0.00 H new ATOM 204 N GLU A 17 11.194 7.255 4.995 1.00 0.00 N ATOM 205 CA GLU A 17 10.233 7.312 3.901 1.00 0.00 C ATOM 206 C GLU A 17 9.138 6.275 4.080 1.00 0.00 C ATOM 207 O GLU A 17 7.958 6.529 3.838 1.00 0.00 O ATOM 208 CB GLU A 17 11.018 7.075 2.583 1.00 0.00 C ATOM 209 CG GLU A 17 10.471 6.011 1.598 1.00 0.00 C ATOM 210 CD GLU A 17 10.463 6.507 0.164 1.00 0.00 C ATOM 211 OE1 GLU A 17 9.538 7.264 -0.197 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.382 6.138 -0.596 1.00 0.00 O ATOM 0 H GLU A 17 12.164 7.349 4.692 1.00 0.00 H new ATOM 0 HA GLU A 17 9.740 8.284 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.075 8.025 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.038 6.795 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.080 5.109 1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.458 5.734 1.891 1.00 0.00 H new ATOM 219 N GLN A 18 9.572 5.094 4.450 1.00 0.00 N ATOM 220 CA GLN A 18 8.697 3.968 4.612 1.00 0.00 C ATOM 221 C GLN A 18 7.517 4.269 5.495 1.00 0.00 C ATOM 222 O GLN A 18 6.379 4.122 5.092 1.00 0.00 O ATOM 223 CB GLN A 18 9.462 2.795 5.194 1.00 0.00 C ATOM 224 CG GLN A 18 8.679 1.510 5.131 1.00 0.00 C ATOM 225 CD GLN A 18 9.036 0.544 6.244 1.00 0.00 C ATOM 226 OE1 GLN A 18 10.064 -0.131 6.190 1.00 0.00 O ATOM 227 NE2 GLN A 18 8.188 0.476 7.264 1.00 0.00 N ATOM 0 H GLN A 18 10.552 4.890 4.648 1.00 0.00 H new ATOM 0 HA GLN A 18 8.316 3.724 3.620 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.400 2.672 4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.718 3.011 6.231 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.614 1.737 5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.857 1.029 4.169 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.347 1.054 7.268 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.377 -0.154 8.044 1.00 0.00 H new ATOM 236 N GLN A 19 7.794 4.655 6.712 1.00 0.00 N ATOM 237 CA GLN A 19 6.730 4.936 7.664 1.00 0.00 C ATOM 238 C GLN A 19 6.040 6.253 7.355 1.00 0.00 C ATOM 239 O GLN A 19 4.916 6.490 7.800 1.00 0.00 O ATOM 240 CB GLN A 19 7.266 4.936 9.096 1.00 0.00 C ATOM 241 CG GLN A 19 6.568 3.941 10.007 1.00 0.00 C ATOM 242 CD GLN A 19 5.658 4.613 11.017 1.00 0.00 C ATOM 243 OE1 GLN A 19 5.906 5.744 11.437 1.00 0.00 O ATOM 244 NE2 GLN A 19 4.598 3.919 11.414 1.00 0.00 N ATOM 0 H GLN A 19 8.739 4.784 7.075 1.00 0.00 H new ATOM 0 HA GLN A 19 5.990 4.141 7.571 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.332 4.711 9.076 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.159 5.937 9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.984 3.248 9.402 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.317 3.350 10.535 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.431 2.985 11.040 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.951 4.320 12.093 1.00 0.00 H new ATOM 253 N GLU A 20 6.692 7.097 6.574 1.00 0.00 N ATOM 254 CA GLU A 20 6.101 8.363 6.198 1.00 0.00 C ATOM 255 C GLU A 20 4.956 8.110 5.233 1.00 0.00 C ATOM 256 O GLU A 20 4.011 8.894 5.151 1.00 0.00 O ATOM 257 CB GLU A 20 7.146 9.278 5.557 1.00 0.00 C ATOM 258 CG GLU A 20 6.790 10.755 5.631 1.00 0.00 C ATOM 259 CD GLU A 20 7.565 11.487 6.708 1.00 0.00 C ATOM 260 OE1 GLU A 20 8.741 11.830 6.464 1.00 0.00 O ATOM 261 OE2 GLU A 20 6.995 11.720 7.795 1.00 0.00 O ATOM 0 H GLU A 20 7.623 6.928 6.192 1.00 0.00 H new ATOM 0 HA GLU A 20 5.722 8.861 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.106 9.119 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.272 8.995 4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.987 11.221 4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.722 10.859 5.823 1.00 0.00 H new ATOM 268 N MET A 21 5.058 7.010 4.487 1.00 0.00 N ATOM 269 CA MET A 21 4.047 6.658 3.515 1.00 0.00 C ATOM 270 C MET A 21 3.118 5.561 4.008 1.00 0.00 C ATOM 271 O MET A 21 1.930 5.792 4.158 1.00 0.00 O ATOM 272 CB MET A 21 4.747 6.229 2.241 1.00 0.00 C ATOM 273 CG MET A 21 5.272 7.409 1.460 1.00 0.00 C ATOM 274 SD MET A 21 5.402 7.093 -0.304 1.00 0.00 S ATOM 275 CE MET A 21 5.785 8.739 -0.903 1.00 0.00 C ATOM 0 H MET A 21 5.835 6.352 4.544 1.00 0.00 H new ATOM 0 HA MET A 21 3.418 7.530 3.336 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.572 5.561 2.488 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.054 5.662 1.619 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.615 8.264 1.621 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.254 7.684 1.846 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.391 8.860 -1.912 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.331 9.480 -0.245 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.866 8.879 -0.916 1.00 0.00 H new ATOM 285 N LEU A 22 3.673 4.371 4.230 1.00 0.00 N ATOM 286 CA LEU A 22 2.919 3.193 4.685 1.00 0.00 C ATOM 287 C LEU A 22 1.666 3.549 5.488 1.00 0.00 C ATOM 288 O LEU A 22 0.591 3.006 5.242 1.00 0.00 O ATOM 289 CB LEU A 22 3.820 2.288 5.532 1.00 0.00 C ATOM 290 CG LEU A 22 3.966 0.853 5.031 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.283 0.262 5.505 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.798 0.001 5.506 1.00 0.00 C ATOM 0 H LEU A 22 4.668 4.190 4.099 1.00 0.00 H new ATOM 0 HA LEU A 22 2.589 2.674 3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.811 2.739 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.427 2.262 6.548 1.00 0.00 H new ATOM 0 HG LEU A 22 3.962 0.863 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.375 -0.761 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.109 0.859 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.311 0.263 6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.919 -1.018 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.772 -0.006 6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.866 0.416 5.123 1.00 0.00 H new ATOM 304 N GLN A 23 1.813 4.448 6.453 1.00 0.00 N ATOM 305 CA GLN A 23 0.685 4.852 7.284 1.00 0.00 C ATOM 306 C GLN A 23 -0.423 5.469 6.442 1.00 0.00 C ATOM 307 O GLN A 23 -1.568 5.019 6.478 1.00 0.00 O ATOM 308 CB GLN A 23 1.134 5.844 8.356 1.00 0.00 C ATOM 309 CG GLN A 23 -0.015 6.396 9.187 1.00 0.00 C ATOM 310 CD GLN A 23 0.041 7.904 9.329 1.00 0.00 C ATOM 311 OE1 GLN A 23 0.336 8.428 10.404 1.00 0.00 O ATOM 312 NE2 GLN A 23 -0.242 8.612 8.242 1.00 0.00 N ATOM 0 H GLN A 23 2.695 4.908 6.679 1.00 0.00 H new ATOM 0 HA GLN A 23 0.294 3.957 7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.849 5.354 9.017 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.658 6.672 7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.961 6.113 8.726 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.006 5.940 10.177 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.481 8.137 7.372 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.220 9.631 8.277 1.00 0.00 H new ATOM 321 N ALA A 24 -0.081 6.510 5.693 1.00 0.00 N ATOM 322 CA ALA A 24 -1.052 7.197 4.854 1.00 0.00 C ATOM 323 C ALA A 24 -1.473 6.348 3.653 1.00 0.00 C ATOM 324 O ALA A 24 -2.444 6.671 2.970 1.00 0.00 O ATOM 325 CB ALA A 24 -0.482 8.526 4.390 1.00 0.00 C ATOM 0 H ALA A 24 0.862 6.896 5.650 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.945 7.374 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.213 9.036 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.252 9.146 5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.429 8.351 3.817 1.00 0.00 H new ATOM 331 N PHE A 25 -0.745 5.263 3.397 1.00 0.00 N ATOM 332 CA PHE A 25 -1.047 4.382 2.281 1.00 0.00 C ATOM 333 C PHE A 25 -2.096 3.351 2.672 1.00 0.00 C ATOM 334 O PHE A 25 -2.884 2.912 1.842 1.00 0.00 O ATOM 335 CB PHE A 25 0.226 3.677 1.816 1.00 0.00 C ATOM 336 CG PHE A 25 0.073 2.930 0.520 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.770 1.832 0.422 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.783 3.324 -0.600 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.901 1.148 -0.773 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.657 2.643 -1.792 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.187 1.554 -1.878 1.00 0.00 C ATOM 0 H PHE A 25 0.061 4.976 3.953 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.445 4.985 1.465 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.019 4.417 1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.546 2.979 2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.329 1.508 1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.444 4.176 -0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.562 0.297 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.218 2.961 -2.658 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.287 1.021 -2.812 1.00 0.00 H new ATOM 351 N SER A 26 -2.099 2.967 3.942 1.00 0.00 N ATOM 352 CA SER A 26 -3.055 1.985 4.436 1.00 0.00 C ATOM 353 C SER A 26 -4.480 2.506 4.281 1.00 0.00 C ATOM 354 O SER A 26 -5.396 1.753 3.952 1.00 0.00 O ATOM 355 CB SER A 26 -2.774 1.663 5.905 1.00 0.00 C ATOM 356 OG SER A 26 -3.288 2.672 6.757 1.00 0.00 O ATOM 0 H SER A 26 -1.452 3.320 4.647 1.00 0.00 H new ATOM 0 HA SER A 26 -2.948 1.073 3.848 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.222 0.703 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.699 1.565 6.060 1.00 0.00 H new ATOM 0 HG SER A 26 -2.730 3.475 6.687 1.00 0.00 H new ATOM 362 N THR A 27 -4.656 3.802 4.526 1.00 0.00 N ATOM 363 CA THR A 27 -5.968 4.433 4.420 1.00 0.00 C ATOM 364 C THR A 27 -6.539 4.305 3.007 1.00 0.00 C ATOM 365 O THR A 27 -7.749 4.418 2.809 1.00 0.00 O ATOM 366 CB THR A 27 -5.876 5.908 4.810 1.00 0.00 C ATOM 367 OG1 THR A 27 -5.220 6.654 3.801 1.00 0.00 O ATOM 368 CG2 THR A 27 -5.134 6.138 6.109 1.00 0.00 C ATOM 0 H THR A 27 -3.905 4.436 4.800 1.00 0.00 H new ATOM 0 HA THR A 27 -6.641 3.917 5.105 1.00 0.00 H new ATOM 0 HB THR A 27 -6.907 6.238 4.936 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.266 6.428 3.795 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.105 7.206 6.327 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.646 5.616 6.918 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.116 5.758 6.019 1.00 0.00 H new ATOM 376 N GLN A 28 -5.666 4.073 2.027 1.00 0.00 N ATOM 377 CA GLN A 28 -6.092 3.936 0.631 1.00 0.00 C ATOM 378 C GLN A 28 -7.334 3.048 0.516 1.00 0.00 C ATOM 379 O GLN A 28 -8.456 3.532 0.666 1.00 0.00 O ATOM 380 CB GLN A 28 -4.951 3.367 -0.225 1.00 0.00 C ATOM 381 CG GLN A 28 -3.940 4.390 -0.756 1.00 0.00 C ATOM 382 CD GLN A 28 -4.175 5.820 -0.289 1.00 0.00 C ATOM 383 OE1 GLN A 28 -3.875 6.086 0.975 1.00 0.00 O flip ATOM 384 NE2 GLN A 28 -4.621 6.672 -1.058 1.00 0.00 N flip ATOM 0 H GLN A 28 -4.661 3.976 2.172 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.350 4.928 0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.413 2.626 0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.387 2.841 -1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.939 4.083 -0.452 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.962 4.370 -1.846 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.838 6.424 -2.023 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.773 7.626 -0.730 1.00 0.00 H new ATOM 393 N SER A 29 -7.142 1.751 0.266 1.00 0.00 N ATOM 394 CA SER A 29 -8.273 0.845 0.161 1.00 0.00 C ATOM 395 C SER A 29 -8.619 0.257 1.529 1.00 0.00 C ATOM 396 O SER A 29 -9.392 -0.696 1.626 1.00 0.00 O ATOM 397 CB SER A 29 -7.994 -0.280 -0.837 1.00 0.00 C ATOM 398 OG SER A 29 -9.201 -0.781 -1.387 1.00 0.00 O ATOM 0 H SER A 29 -6.229 1.316 0.135 1.00 0.00 H new ATOM 0 HA SER A 29 -9.124 1.420 -0.204 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.351 0.089 -1.636 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.454 -1.086 -0.340 1.00 0.00 H new ATOM 0 HG SER A 29 -9.840 -0.959 -0.666 1.00 0.00 H new ATOM 404 N GLY A 30 -8.034 0.825 2.587 1.00 0.00 N ATOM 405 CA GLY A 30 -8.285 0.337 3.929 1.00 0.00 C ATOM 406 C GLY A 30 -7.286 -0.723 4.362 1.00 0.00 C ATOM 407 O GLY A 30 -7.446 -1.335 5.416 1.00 0.00 O ATOM 0 H GLY A 30 -7.391 1.615 2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.248 1.172 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.292 -0.076 3.979 1.00 0.00 H new ATOM 411 N MET A 31 -6.253 -0.945 3.545 1.00 0.00 N ATOM 412 CA MET A 31 -5.232 -1.946 3.849 1.00 0.00 C ATOM 413 C MET A 31 -4.665 -1.770 5.255 1.00 0.00 C ATOM 414 O MET A 31 -5.130 -0.931 6.025 1.00 0.00 O ATOM 415 CB MET A 31 -4.101 -1.870 2.824 1.00 0.00 C ATOM 416 CG MET A 31 -3.717 -3.220 2.237 1.00 0.00 C ATOM 417 SD MET A 31 -2.141 -3.203 1.346 1.00 0.00 S ATOM 418 CE MET A 31 -1.889 -1.456 1.037 1.00 0.00 C ATOM 0 H MET A 31 -6.103 -0.444 2.669 1.00 0.00 H new ATOM 0 HA MET A 31 -5.708 -2.925 3.800 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.400 -1.204 2.015 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.224 -1.426 3.295 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.662 -3.954 3.041 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.504 -3.549 1.559 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.127 -1.329 0.268 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.823 -1.008 0.699 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.563 -0.967 1.955 1.00 0.00 H new ATOM 428 N ASN A 32 -3.651 -2.574 5.577 1.00 0.00 N ATOM 429 CA ASN A 32 -3.009 -2.517 6.886 1.00 0.00 C ATOM 430 C ASN A 32 -1.824 -1.559 6.874 1.00 0.00 C ATOM 431 O ASN A 32 -1.659 -0.770 5.945 1.00 0.00 O ATOM 432 CB ASN A 32 -2.547 -3.898 7.308 1.00 0.00 C ATOM 433 CG ASN A 32 -3.095 -4.329 8.647 1.00 0.00 C ATOM 434 OD1 ASN A 32 -3.965 -3.676 9.223 1.00 0.00 O ATOM 435 ND2 ASN A 32 -2.577 -5.441 9.146 1.00 0.00 N ATOM 0 H ASN A 32 -3.258 -3.273 4.946 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.744 -2.150 7.603 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.848 -4.621 6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.458 -3.913 7.347 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.898 -5.793 10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.857 -5.946 8.628 1.00 0.00 H new ATOM 442 N LEU A 33 -0.995 -1.645 7.908 1.00 0.00 N ATOM 443 CA LEU A 33 0.184 -0.798 8.015 1.00 0.00 C ATOM 444 C LEU A 33 1.450 -1.617 7.798 1.00 0.00 C ATOM 445 O LEU A 33 2.515 -1.287 8.322 1.00 0.00 O ATOM 446 CB LEU A 33 0.229 -0.117 9.385 1.00 0.00 C ATOM 447 CG LEU A 33 0.457 1.394 9.351 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.585 1.742 8.391 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.823 2.116 8.956 1.00 0.00 C ATOM 0 H LEU A 33 -1.119 -2.294 8.685 1.00 0.00 H new ATOM 0 HA LEU A 33 0.127 -0.031 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.709 -0.316 9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.022 -0.575 9.975 1.00 0.00 H new ATOM 0 HG LEU A 33 0.743 1.722 10.350 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.733 2.822 8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.503 1.253 8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.328 1.401 7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.643 3.191 8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.138 1.783 7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.606 1.892 9.681 1.00 0.00 H new ATOM 461 N GLU A 34 1.325 -2.693 7.025 1.00 0.00 N ATOM 462 CA GLU A 34 2.461 -3.567 6.743 1.00 0.00 C ATOM 463 C GLU A 34 2.433 -4.104 5.316 1.00 0.00 C ATOM 464 O GLU A 34 3.479 -4.238 4.682 1.00 0.00 O ATOM 465 CB GLU A 34 2.500 -4.728 7.739 1.00 0.00 C ATOM 466 CG GLU A 34 1.311 -5.667 7.625 1.00 0.00 C ATOM 467 CD GLU A 34 1.512 -6.956 8.397 1.00 0.00 C ATOM 468 OE1 GLU A 34 2.679 -7.324 8.647 1.00 0.00 O ATOM 469 OE2 GLU A 34 0.501 -7.599 8.753 1.00 0.00 O ATOM 0 H GLU A 34 0.451 -2.980 6.584 1.00 0.00 H new ATOM 0 HA GLU A 34 3.364 -2.966 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.417 -5.296 7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.539 -4.326 8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.417 -5.163 7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.136 -5.900 6.575 1.00 0.00 H new ATOM 476 N TRP A 35 1.245 -4.392 4.801 1.00 0.00 N ATOM 477 CA TRP A 35 1.129 -4.890 3.435 1.00 0.00 C ATOM 478 C TRP A 35 1.348 -3.742 2.465 1.00 0.00 C ATOM 479 O TRP A 35 1.841 -3.932 1.353 1.00 0.00 O ATOM 480 CB TRP A 35 -0.234 -5.530 3.178 1.00 0.00 C ATOM 481 CG TRP A 35 -0.733 -6.407 4.274 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.151 -6.045 5.514 1.00 0.00 C ATOM 483 CD2 TRP A 35 -0.884 -7.807 4.198 1.00 0.00 C ATOM 484 NE1 TRP A 35 -1.568 -7.143 6.213 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.404 -8.246 5.422 1.00 0.00 C ATOM 486 CE3 TRP A 35 -0.626 -8.722 3.202 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -1.672 -9.581 5.670 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -0.894 -10.057 3.447 1.00 0.00 C ATOM 489 CH2 TRP A 35 -1.411 -10.474 4.671 1.00 0.00 C ATOM 0 H TRP A 35 0.360 -4.292 5.298 1.00 0.00 H new ATOM 0 HA TRP A 35 1.887 -5.659 3.288 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -0.964 -4.739 3.005 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.176 -6.116 2.261 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.154 -5.034 5.894 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.939 -7.140 7.163 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.224 -8.405 2.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.073 -9.904 6.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.699 -10.788 2.676 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.609 -11.523 4.833 1.00 0.00 H new ATOM 500 N SER A 36 0.983 -2.542 2.907 1.00 0.00 N ATOM 501 CA SER A 36 1.142 -1.346 2.099 1.00 0.00 C ATOM 502 C SER A 36 2.604 -1.172 1.691 1.00 0.00 C ATOM 503 O SER A 36 2.900 -0.597 0.645 1.00 0.00 O ATOM 504 CB SER A 36 0.636 -0.122 2.875 1.00 0.00 C ATOM 505 OG SER A 36 1.688 0.771 3.202 1.00 0.00 O ATOM 0 H SER A 36 0.573 -2.376 3.826 1.00 0.00 H new ATOM 0 HA SER A 36 0.550 -1.446 1.190 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.112 0.401 2.279 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.142 -0.451 3.789 1.00 0.00 H new ATOM 0 HG SER A 36 1.756 1.463 2.512 1.00 0.00 H new ATOM 511 N GLN A 37 3.514 -1.677 2.525 1.00 0.00 N ATOM 512 CA GLN A 37 4.942 -1.579 2.248 1.00 0.00 C ATOM 513 C GLN A 37 5.272 -2.171 0.884 1.00 0.00 C ATOM 514 O GLN A 37 5.965 -1.550 0.078 1.00 0.00 O ATOM 515 CB GLN A 37 5.748 -2.304 3.328 1.00 0.00 C ATOM 516 CG GLN A 37 7.239 -2.364 3.033 1.00 0.00 C ATOM 517 CD GLN A 37 8.088 -2.062 4.251 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.570 -1.861 5.349 1.00 0.00 O ATOM 519 NE2 GLN A 37 9.400 -2.028 4.059 1.00 0.00 N ATOM 0 H GLN A 37 3.285 -2.157 3.396 1.00 0.00 H new ATOM 0 HA GLN A 37 5.210 -0.523 2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.594 -1.802 4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.366 -3.319 3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.491 -3.355 2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.478 -1.652 2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.784 -2.201 3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.025 -1.829 4.840 1.00 0.00 H new ATOM 528 N LYS A 38 4.775 -3.377 0.631 1.00 0.00 N ATOM 529 CA LYS A 38 5.023 -4.049 -0.639 1.00 0.00 C ATOM 530 C LYS A 38 4.459 -3.236 -1.797 1.00 0.00 C ATOM 531 O LYS A 38 4.947 -3.317 -2.923 1.00 0.00 O ATOM 532 CB LYS A 38 4.407 -5.450 -0.632 1.00 0.00 C ATOM 533 CG LYS A 38 4.630 -6.218 -1.924 1.00 0.00 C ATOM 534 CD LYS A 38 4.056 -7.624 -1.841 1.00 0.00 C ATOM 535 CE LYS A 38 4.163 -8.349 -3.173 1.00 0.00 C ATOM 536 NZ LYS A 38 3.310 -7.720 -4.218 1.00 0.00 N ATOM 0 H LYS A 38 4.200 -3.907 1.286 1.00 0.00 H new ATOM 0 HA LYS A 38 6.101 -4.140 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.828 -6.019 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.336 -5.366 -0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.166 -5.682 -2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.698 -6.271 -2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.585 -8.190 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.011 -7.574 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.202 -8.349 -3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.870 -9.391 -3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.222 -8.365 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.366 -7.527 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.745 -6.828 -4.530 1.00 0.00 H new ATOM 550 N CYS A 39 3.432 -2.447 -1.507 1.00 0.00 N ATOM 551 CA CYS A 39 2.804 -1.610 -2.519 1.00 0.00 C ATOM 552 C CYS A 39 3.655 -0.378 -2.795 1.00 0.00 C ATOM 553 O CYS A 39 3.624 0.178 -3.892 1.00 0.00 O ATOM 554 CB CYS A 39 1.410 -1.185 -2.058 1.00 0.00 C ATOM 555 SG CYS A 39 0.204 -2.531 -2.014 1.00 0.00 S ATOM 0 H CYS A 39 3.017 -2.370 -0.579 1.00 0.00 H new ATOM 0 HA CYS A 39 2.716 -2.188 -3.439 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.486 -0.747 -1.063 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.042 -0.403 -2.723 1.00 0.00 H new ATOM 0 HG CYS A 39 -0.991 -2.038 -1.879 1.00 0.00 H new ATOM 561 N LEU A 40 4.408 0.045 -1.787 1.00 0.00 N ATOM 562 CA LEU A 40 5.265 1.218 -1.906 1.00 0.00 C ATOM 563 C LEU A 40 6.726 0.843 -2.075 1.00 0.00 C ATOM 564 O LEU A 40 7.606 1.677 -1.918 1.00 0.00 O ATOM 565 CB LEU A 40 5.123 2.089 -0.676 1.00 0.00 C ATOM 566 CG LEU A 40 3.785 2.793 -0.554 1.00 0.00 C ATOM 567 CD1 LEU A 40 3.225 2.620 0.832 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.950 4.256 -0.885 1.00 0.00 C ATOM 0 H LEU A 40 4.442 -0.409 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 40 4.946 1.760 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.277 1.473 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.914 2.839 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 40 3.082 2.350 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.265 3.131 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.087 1.559 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.917 3.045 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.987 4.760 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.661 4.708 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.321 4.359 -1.905 1.00 0.00 H new ATOM 580 N GLN A 41 6.984 -0.407 -2.389 1.00 0.00 N ATOM 581 CA GLN A 41 8.353 -0.858 -2.579 1.00 0.00 C ATOM 582 C GLN A 41 8.582 -1.306 -4.023 1.00 0.00 C ATOM 583 O GLN A 41 9.724 -1.440 -4.464 1.00 0.00 O ATOM 584 CB GLN A 41 8.685 -1.988 -1.602 1.00 0.00 C ATOM 585 CG GLN A 41 8.850 -1.519 -0.166 1.00 0.00 C ATOM 586 CD GLN A 41 10.277 -1.653 0.330 1.00 0.00 C ATOM 587 OE1 GLN A 41 11.081 -0.730 0.198 1.00 0.00 O ATOM 588 NE2 GLN A 41 10.599 -2.806 0.903 1.00 0.00 N ATOM 0 H GLN A 41 6.274 -1.127 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 41 9.021 -0.021 -2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.894 -2.737 -1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.604 -2.478 -1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.539 -0.477 -0.090 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.189 -2.097 0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.901 -3.544 0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.545 -2.954 1.255 1.00 0.00 H new ATOM 597 N ASP A 42 7.493 -1.520 -4.762 1.00 0.00 N ATOM 598 CA ASP A 42 7.582 -1.932 -6.157 1.00 0.00 C ATOM 599 C ASP A 42 7.658 -0.706 -7.062 1.00 0.00 C ATOM 600 O ASP A 42 8.268 -0.744 -8.130 1.00 0.00 O ATOM 601 CB ASP A 42 6.374 -2.788 -6.538 1.00 0.00 C ATOM 602 CG ASP A 42 6.755 -4.226 -6.835 1.00 0.00 C ATOM 603 OD1 ASP A 42 7.946 -4.479 -7.115 1.00 0.00 O ATOM 604 OD2 ASP A 42 5.863 -5.098 -6.789 1.00 0.00 O ATOM 0 H ASP A 42 6.540 -1.414 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 42 8.487 -2.526 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.647 -2.768 -5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.887 -2.356 -7.412 1.00 0.00 H new ATOM 609 N ASN A 43 7.038 0.383 -6.616 1.00 0.00 N ATOM 610 CA ASN A 43 7.037 1.631 -7.370 1.00 0.00 C ATOM 611 C ASN A 43 8.031 2.637 -6.785 1.00 0.00 C ATOM 612 O ASN A 43 8.253 3.702 -7.361 1.00 0.00 O ATOM 613 CB ASN A 43 5.634 2.240 -7.399 1.00 0.00 C ATOM 614 CG ASN A 43 4.563 1.212 -7.712 1.00 0.00 C ATOM 615 OD1 ASN A 43 4.208 0.401 -6.722 1.00 0.00 O flip ATOM 616 ND2 ASN A 43 4.060 1.148 -8.834 1.00 0.00 N flip ATOM 0 H ASN A 43 6.529 0.425 -5.733 1.00 0.00 H new ATOM 0 HA ASN A 43 7.346 1.400 -8.389 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.421 2.700 -6.434 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.601 3.034 -8.145 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.362 1.791 -9.566 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.341 0.452 -9.032 1.00 0.00 H new ATOM 623 N ASN A 44 8.638 2.288 -5.643 1.00 0.00 N ATOM 624 CA ASN A 44 9.624 3.144 -4.982 1.00 0.00 C ATOM 625 C ASN A 44 8.974 4.197 -4.085 1.00 0.00 C ATOM 626 O ASN A 44 9.507 5.295 -3.933 1.00 0.00 O ATOM 627 CB ASN A 44 10.538 3.829 -6.005 1.00 0.00 C ATOM 628 CG ASN A 44 10.981 2.887 -7.107 1.00 0.00 C ATOM 629 OD1 ASN A 44 10.804 1.672 -7.010 1.00 0.00 O ATOM 630 ND2 ASN A 44 11.560 3.443 -8.164 1.00 0.00 N ATOM 0 H ASN A 44 8.459 1.410 -5.156 1.00 0.00 H new ATOM 0 HA ASN A 44 10.222 2.489 -4.349 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.014 4.678 -6.445 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.416 4.226 -5.495 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.878 2.859 -8.937 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.687 4.454 -8.203 1.00 0.00 H new ATOM 637 N TRP A 45 7.841 3.861 -3.467 1.00 0.00 N ATOM 638 CA TRP A 45 7.178 4.792 -2.571 1.00 0.00 C ATOM 639 C TRP A 45 6.690 6.040 -3.292 1.00 0.00 C ATOM 640 O TRP A 45 6.813 7.150 -2.779 1.00 0.00 O ATOM 641 CB TRP A 45 8.127 5.157 -1.427 1.00 0.00 C ATOM 642 CG TRP A 45 8.574 3.939 -0.692 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.618 3.121 -1.019 1.00 0.00 C ATOM 644 CD2 TRP A 45 7.965 3.366 0.470 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.676 2.071 -0.143 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.680 2.207 0.778 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.882 3.715 1.281 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.348 1.405 1.846 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.555 2.913 2.341 1.00 0.00 C ATOM 650 CH2 TRP A 45 7.282 1.773 2.615 1.00 0.00 C ATOM 0 H TRP A 45 7.373 2.961 -3.572 1.00 0.00 H new ATOM 0 HA TRP A 45 6.291 4.302 -2.168 1.00 0.00 H new ATOM 0 HB2 TRP A 45 8.994 5.685 -1.824 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.627 5.838 -0.739 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.296 3.279 -1.845 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.354 1.310 -0.174 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.310 4.607 1.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.913 0.512 2.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.718 3.176 2.970 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.001 1.158 3.457 1.00 0.00 H new ATOM 661 N ASP A 46 6.098 5.854 -4.468 1.00 0.00 N ATOM 662 CA ASP A 46 5.552 6.977 -5.213 1.00 0.00 C ATOM 663 C ASP A 46 4.361 7.511 -4.446 1.00 0.00 C ATOM 664 O ASP A 46 4.143 8.719 -4.347 1.00 0.00 O ATOM 665 CB ASP A 46 5.140 6.552 -6.624 1.00 0.00 C ATOM 666 CG ASP A 46 6.172 6.932 -7.667 1.00 0.00 C ATOM 667 OD1 ASP A 46 6.434 8.141 -7.830 1.00 0.00 O ATOM 668 OD2 ASP A 46 6.720 6.019 -8.320 1.00 0.00 O ATOM 0 H ASP A 46 5.986 4.946 -4.919 1.00 0.00 H new ATOM 0 HA ASP A 46 6.310 7.753 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.986 5.473 -6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.186 7.015 -6.876 1.00 0.00 H new ATOM 673 N TYR A 47 3.618 6.572 -3.874 1.00 0.00 N ATOM 674 CA TYR A 47 2.450 6.857 -3.055 1.00 0.00 C ATOM 675 C TYR A 47 1.172 6.954 -3.870 1.00 0.00 C ATOM 676 O TYR A 47 0.080 6.720 -3.354 1.00 0.00 O ATOM 677 CB TYR A 47 2.624 8.129 -2.234 1.00 0.00 C ATOM 678 CG TYR A 47 1.614 8.222 -1.128 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.355 8.739 -1.384 1.00 0.00 C ATOM 680 CD2 TYR A 47 1.901 7.773 0.160 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.597 8.818 -0.396 1.00 0.00 C ATOM 682 CE2 TYR A 47 0.947 7.847 1.158 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.300 8.373 0.873 1.00 0.00 C ATOM 684 OH TYR A 47 -1.255 8.451 1.857 1.00 0.00 O ATOM 0 H TYR A 47 3.814 5.576 -3.969 1.00 0.00 H new ATOM 0 HA TYR A 47 2.359 6.008 -2.377 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.629 8.154 -1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.530 8.998 -2.886 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.117 9.087 -2.378 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.876 7.364 0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.573 9.227 -0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.174 7.496 2.154 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.888 7.709 1.758 1.00 0.00 H new ATOM 694 N THR A 48 1.302 7.302 -5.137 1.00 0.00 N ATOM 695 CA THR A 48 0.138 7.429 -5.998 1.00 0.00 C ATOM 696 C THR A 48 0.082 6.276 -6.988 1.00 0.00 C ATOM 697 O THR A 48 -0.938 5.599 -7.112 1.00 0.00 O ATOM 698 CB THR A 48 0.165 8.764 -6.744 1.00 0.00 C ATOM 699 OG1 THR A 48 0.094 9.847 -5.835 1.00 0.00 O ATOM 700 CG2 THR A 48 -0.971 8.919 -7.732 1.00 0.00 C ATOM 0 H THR A 48 2.194 7.501 -5.591 1.00 0.00 H new ATOM 0 HA THR A 48 -0.755 7.398 -5.374 1.00 0.00 H new ATOM 0 HB THR A 48 1.107 8.770 -7.293 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.114 10.692 -6.331 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.893 9.887 -8.227 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.916 8.125 -8.477 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.923 8.857 -7.205 1.00 0.00 H new ATOM 708 N ARG A 49 1.192 6.048 -7.683 1.00 0.00 N ATOM 709 CA ARG A 49 1.270 4.965 -8.651 1.00 0.00 C ATOM 710 C ARG A 49 1.232 3.620 -7.941 1.00 0.00 C ATOM 711 O ARG A 49 0.793 2.619 -8.508 1.00 0.00 O ATOM 712 CB ARG A 49 2.545 5.084 -9.489 1.00 0.00 C ATOM 713 CG ARG A 49 2.488 4.312 -10.797 1.00 0.00 C ATOM 714 CD ARG A 49 3.738 3.471 -11.002 1.00 0.00 C ATOM 715 NE ARG A 49 4.078 3.332 -12.415 1.00 0.00 N ATOM 716 CZ ARG A 49 5.280 2.971 -12.851 1.00 0.00 C ATOM 717 NH1 ARG A 49 6.253 2.717 -11.986 1.00 0.00 N ATOM 718 NH2 ARG A 49 5.513 2.867 -14.152 1.00 0.00 N ATOM 0 H ARG A 49 2.046 6.598 -7.593 1.00 0.00 H new ATOM 0 HA ARG A 49 0.410 5.035 -9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.731 6.136 -9.706 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.390 4.726 -8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.609 3.667 -10.802 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.377 5.009 -11.628 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.573 3.928 -10.471 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.586 2.483 -10.567 1.00 0.00 H new ATOM 0 HE ARG A 49 3.352 3.523 -13.106 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.079 2.799 -10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.175 2.440 -12.323 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.769 3.064 -14.821 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.437 2.590 -14.484 1.00 0.00 H new ATOM 732 N SER A 50 1.678 3.607 -6.689 1.00 0.00 N ATOM 733 CA SER A 50 1.674 2.388 -5.897 1.00 0.00 C ATOM 734 C SER A 50 0.251 2.037 -5.511 1.00 0.00 C ATOM 735 O SER A 50 -0.302 1.057 -5.996 1.00 0.00 O ATOM 736 CB SER A 50 2.534 2.558 -4.644 1.00 0.00 C ATOM 737 OG SER A 50 3.904 2.346 -4.930 1.00 0.00 O ATOM 0 H SER A 50 2.045 4.426 -6.204 1.00 0.00 H new ATOM 0 HA SER A 50 2.095 1.579 -6.493 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.396 3.560 -4.238 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.207 1.856 -3.877 1.00 0.00 H new ATOM 0 HG SER A 50 4.047 1.406 -5.165 1.00 0.00 H new ATOM 743 N ALA A 51 -0.343 2.853 -4.647 1.00 0.00 N ATOM 744 CA ALA A 51 -1.716 2.631 -4.215 1.00 0.00 C ATOM 745 C ALA A 51 -2.680 2.630 -5.399 1.00 0.00 C ATOM 746 O ALA A 51 -3.808 2.154 -5.283 1.00 0.00 O ATOM 747 CB ALA A 51 -2.128 3.672 -3.192 1.00 0.00 C ATOM 0 H ALA A 51 0.104 3.671 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.763 1.647 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.157 3.490 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.471 3.610 -2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.053 4.666 -3.634 1.00 0.00 H new ATOM 753 N GLN A 52 -2.238 3.149 -6.543 1.00 0.00 N ATOM 754 CA GLN A 52 -3.083 3.172 -7.730 1.00 0.00 C ATOM 755 C GLN A 52 -3.169 1.776 -8.330 1.00 0.00 C ATOM 756 O GLN A 52 -4.234 1.341 -8.769 1.00 0.00 O ATOM 757 CB GLN A 52 -2.542 4.165 -8.761 1.00 0.00 C ATOM 758 CG GLN A 52 -3.240 4.086 -10.111 1.00 0.00 C ATOM 759 CD GLN A 52 -3.784 5.427 -10.564 1.00 0.00 C ATOM 760 OE1 GLN A 52 -4.955 5.741 -10.343 1.00 0.00 O ATOM 761 NE2 GLN A 52 -2.937 6.225 -11.201 1.00 0.00 N ATOM 0 H GLN A 52 -1.311 3.554 -6.671 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.083 3.496 -7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.645 5.176 -8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.476 3.985 -8.902 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.539 3.711 -10.857 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.057 3.367 -10.052 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.976 5.924 -11.362 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.247 7.140 -11.529 1.00 0.00 H new ATOM 770 N ALA A 53 -2.045 1.068 -8.321 1.00 0.00 N ATOM 771 CA ALA A 53 -1.998 -0.292 -8.840 1.00 0.00 C ATOM 772 C ALA A 53 -2.518 -1.277 -7.798 1.00 0.00 C ATOM 773 O ALA A 53 -2.943 -2.384 -8.125 1.00 0.00 O ATOM 774 CB ALA A 53 -0.577 -0.651 -9.234 1.00 0.00 C ATOM 0 H ALA A 53 -1.156 1.414 -7.960 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.635 -0.350 -9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.553 -1.670 -9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.228 0.038 -10.003 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.072 -0.579 -8.361 1.00 0.00 H new ATOM 780 N PHE A 54 -2.479 -0.855 -6.539 1.00 0.00 N ATOM 781 CA PHE A 54 -2.938 -1.671 -5.432 1.00 0.00 C ATOM 782 C PHE A 54 -4.463 -1.684 -5.395 1.00 0.00 C ATOM 783 O PHE A 54 -5.071 -2.698 -5.066 1.00 0.00 O ATOM 784 CB PHE A 54 -2.332 -1.132 -4.117 1.00 0.00 C ATOM 785 CG PHE A 54 -3.278 -1.021 -2.949 1.00 0.00 C ATOM 786 CD1 PHE A 54 -4.121 0.073 -2.819 1.00 0.00 C ATOM 787 CD2 PHE A 54 -3.314 -2.007 -1.980 1.00 0.00 C ATOM 788 CE1 PHE A 54 -4.981 0.178 -1.742 1.00 0.00 C ATOM 789 CE2 PHE A 54 -4.166 -1.904 -0.901 1.00 0.00 C ATOM 790 CZ PHE A 54 -4.999 -0.810 -0.784 1.00 0.00 C ATOM 0 H PHE A 54 -2.128 0.062 -6.262 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.606 -2.701 -5.560 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.505 -1.781 -3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.910 -0.146 -4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.105 0.851 -3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.667 -2.867 -2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.636 1.032 -1.653 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.181 -2.678 -0.148 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.666 -0.729 0.061 1.00 0.00 H new ATOM 800 N THR A 55 -5.073 -0.553 -5.731 1.00 0.00 N ATOM 801 CA THR A 55 -6.523 -0.455 -5.727 1.00 0.00 C ATOM 802 C THR A 55 -7.123 -1.441 -6.719 1.00 0.00 C ATOM 803 O THR A 55 -8.164 -2.044 -6.462 1.00 0.00 O ATOM 804 CB THR A 55 -6.971 0.964 -6.068 1.00 0.00 C ATOM 805 OG1 THR A 55 -6.483 1.354 -7.340 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.512 1.997 -5.061 1.00 0.00 C ATOM 0 H THR A 55 -4.588 0.301 -6.007 1.00 0.00 H new ATOM 0 HA THR A 55 -6.877 -0.699 -4.725 1.00 0.00 H new ATOM 0 HB THR A 55 -8.060 0.932 -6.058 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.504 1.310 -7.342 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.865 2.983 -5.364 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.917 1.753 -4.079 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.423 2.000 -5.014 1.00 0.00 H new ATOM 814 N HIS A 56 -6.449 -1.604 -7.851 1.00 0.00 N ATOM 815 CA HIS A 56 -6.904 -2.523 -8.882 1.00 0.00 C ATOM 816 C HIS A 56 -6.877 -3.958 -8.371 1.00 0.00 C ATOM 817 O HIS A 56 -7.616 -4.815 -8.855 1.00 0.00 O ATOM 818 CB HIS A 56 -6.018 -2.403 -10.120 1.00 0.00 C ATOM 819 CG HIS A 56 -6.598 -3.050 -11.338 1.00 0.00 C ATOM 820 ND1 HIS A 56 -6.102 -4.204 -11.904 1.00 0.00 N ATOM 821 CD2 HIS A 56 -7.656 -2.683 -12.105 1.00 0.00 C ATOM 822 CE1 HIS A 56 -6.857 -4.495 -12.972 1.00 0.00 C ATOM 823 NE2 HIS A 56 -7.814 -3.603 -13.137 1.00 0.00 N ATOM 0 H HIS A 56 -5.585 -1.111 -8.077 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.929 -2.263 -9.145 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.841 -1.348 -10.329 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.048 -2.853 -9.907 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.277 -1.815 -11.940 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.702 -5.349 -13.614 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.523 -3.590 -13.870 1.00 0.00 H new ATOM 831 N LEU A 57 -6.009 -4.215 -7.398 1.00 0.00 N ATOM 832 CA LEU A 57 -5.874 -5.551 -6.831 1.00 0.00 C ATOM 833 C LEU A 57 -6.891 -5.798 -5.714 1.00 0.00 C ATOM 834 O LEU A 57 -7.337 -6.928 -5.517 1.00 0.00 O ATOM 835 CB LEU A 57 -4.451 -5.760 -6.307 1.00 0.00 C ATOM 836 CG LEU A 57 -4.055 -7.218 -6.072 1.00 0.00 C ATOM 837 CD1 LEU A 57 -2.563 -7.408 -6.297 1.00 0.00 C ATOM 838 CD2 LEU A 57 -4.446 -7.654 -4.669 1.00 0.00 C ATOM 0 H LEU A 57 -5.390 -3.517 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.075 -6.270 -7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.751 -5.319 -7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.341 -5.214 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.590 -7.842 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.299 -8.452 -6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.312 -7.134 -7.322 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.007 -6.775 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.157 -8.694 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.937 -7.026 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.524 -7.555 -4.544 1.00 0.00 H new ATOM 850 N LYS A 58 -7.262 -4.746 -4.987 1.00 0.00 N ATOM 851 CA LYS A 58 -8.231 -4.884 -3.903 1.00 0.00 C ATOM 852 C LYS A 58 -9.625 -5.136 -4.464 1.00 0.00 C ATOM 853 O LYS A 58 -10.398 -5.919 -3.913 1.00 0.00 O ATOM 854 CB LYS A 58 -8.243 -3.636 -3.014 1.00 0.00 C ATOM 855 CG LYS A 58 -6.874 -3.253 -2.472 1.00 0.00 C ATOM 856 CD LYS A 58 -6.132 -4.458 -1.915 1.00 0.00 C ATOM 857 CE LYS A 58 -5.163 -5.031 -2.933 1.00 0.00 C ATOM 858 NZ LYS A 58 -3.748 -4.907 -2.490 1.00 0.00 N ATOM 0 H LYS A 58 -6.911 -3.799 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.933 -5.738 -3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.644 -2.799 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.920 -3.805 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.283 -2.797 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.989 -2.503 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.588 -4.169 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.849 -5.225 -1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.398 -6.081 -3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.291 -4.516 -3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.154 -4.630 -3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.679 -4.184 -1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.420 -5.820 -2.117 1.00 0.00 H new ATOM 872 N ALA A 59 -9.935 -4.468 -5.570 1.00 0.00 N ATOM 873 CA ALA A 59 -11.232 -4.621 -6.218 1.00 0.00 C ATOM 874 C ALA A 59 -11.253 -5.861 -7.104 1.00 0.00 C ATOM 875 O ALA A 59 -12.225 -6.617 -7.109 1.00 0.00 O ATOM 876 CB ALA A 59 -11.563 -3.379 -7.032 1.00 0.00 C ATOM 0 H ALA A 59 -9.305 -3.815 -6.036 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.990 -4.745 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.534 -3.506 -7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.594 -2.510 -6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.799 -3.230 -7.795 1.00 0.00 H new ATOM 882 N LYS A 60 -10.171 -6.066 -7.850 1.00 0.00 N ATOM 883 CA LYS A 60 -10.060 -7.217 -8.738 1.00 0.00 C ATOM 884 C LYS A 60 -9.438 -8.402 -8.007 1.00 0.00 C ATOM 885 O LYS A 60 -10.049 -9.464 -7.891 1.00 0.00 O ATOM 886 CB LYS A 60 -9.222 -6.863 -9.968 1.00 0.00 C ATOM 887 CG LYS A 60 -9.651 -5.571 -10.644 1.00 0.00 C ATOM 888 CD LYS A 60 -10.171 -5.823 -12.050 1.00 0.00 C ATOM 889 CE LYS A 60 -11.351 -6.782 -12.044 1.00 0.00 C ATOM 890 NZ LYS A 60 -11.904 -6.993 -13.411 1.00 0.00 N ATOM 0 H LYS A 60 -9.359 -5.449 -7.856 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.063 -7.495 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.176 -6.779 -9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.286 -7.679 -10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.427 -5.088 -10.049 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.807 -4.883 -10.685 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.471 -4.878 -12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.371 -6.232 -12.667 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.038 -7.739 -11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.133 -6.391 -11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.706 -7.653 -13.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.226 -6.084 -13.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.166 -7.390 -14.027 1.00 0.00 H new ATOM 904 N GLY A 61 -8.219 -8.210 -7.509 1.00 0.00 N ATOM 905 CA GLY A 61 -7.538 -9.270 -6.789 1.00 0.00 C ATOM 906 C GLY A 61 -8.283 -9.675 -5.533 1.00 0.00 C ATOM 907 O GLY A 61 -9.487 -9.930 -5.577 1.00 0.00 O ATOM 0 H GLY A 61 -7.692 -7.340 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.428 -10.137 -7.440 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.533 -8.940 -6.524 1.00 0.00 H new ATOM 911 N GLU A 62 -7.575 -9.729 -4.408 1.00 0.00 N ATOM 912 CA GLU A 62 -8.197 -10.103 -3.144 1.00 0.00 C ATOM 913 C GLU A 62 -7.168 -10.199 -2.018 1.00 0.00 C ATOM 914 O GLU A 62 -6.901 -11.284 -1.500 1.00 0.00 O ATOM 915 CB GLU A 62 -8.937 -11.435 -3.292 1.00 0.00 C ATOM 916 CG GLU A 62 -10.330 -11.427 -2.684 1.00 0.00 C ATOM 917 CD GLU A 62 -11.190 -12.572 -3.182 1.00 0.00 C ATOM 918 OE1 GLU A 62 -10.815 -13.740 -2.953 1.00 0.00 O ATOM 919 OE2 GLU A 62 -12.239 -12.299 -3.803 1.00 0.00 O ATOM 0 H GLU A 62 -6.578 -9.520 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.910 -9.321 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.013 -11.683 -4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.348 -12.222 -2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.249 -11.484 -1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.819 -10.481 -2.918 1.00 0.00 H new ATOM 926 N ILE A 63 -6.603 -9.059 -1.627 1.00 0.00 N ATOM 927 CA ILE A 63 -5.626 -9.030 -0.555 1.00 0.00 C ATOM 928 C ILE A 63 -6.215 -9.684 0.695 1.00 0.00 C ATOM 929 O ILE A 63 -7.406 -9.542 0.972 1.00 0.00 O ATOM 930 CB ILE A 63 -5.143 -7.563 -0.273 1.00 0.00 C ATOM 931 CG1 ILE A 63 -3.619 -7.485 -0.427 1.00 0.00 C ATOM 932 CG2 ILE A 63 -5.569 -7.024 1.102 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.026 -6.158 0.002 1.00 0.00 C ATOM 0 H ILE A 63 -6.808 -8.148 -2.039 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.747 -9.599 -0.857 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.633 -6.925 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.163 -8.282 0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.359 -7.668 -1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.199 -6.006 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.657 -7.026 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.154 -7.658 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.945 -6.181 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.453 -5.357 -0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.253 -5.981 1.053 1.00 0.00 H new ATOM 945 N PRO A 64 -5.390 -10.385 1.475 1.00 0.00 N ATOM 946 CA PRO A 64 -5.849 -11.025 2.702 1.00 0.00 C ATOM 947 C PRO A 64 -6.579 -10.031 3.594 1.00 0.00 C ATOM 948 O PRO A 64 -6.169 -8.876 3.707 1.00 0.00 O ATOM 949 CB PRO A 64 -4.547 -11.488 3.358 1.00 0.00 C ATOM 950 CG PRO A 64 -3.605 -11.672 2.226 1.00 0.00 C ATOM 951 CD PRO A 64 -3.951 -10.586 1.247 1.00 0.00 C ATOM 0 HA PRO A 64 -6.555 -11.836 2.524 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.175 -10.749 4.067 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.689 -12.417 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.570 -11.589 2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.717 -12.658 1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.381 -9.676 1.435 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.743 -10.886 0.220 1.00 0.00 H new ATOM 959 N GLU A 65 -7.662 -10.470 4.219 1.00 0.00 N ATOM 960 CA GLU A 65 -8.435 -9.597 5.093 1.00 0.00 C ATOM 961 C GLU A 65 -7.566 -9.104 6.243 1.00 0.00 C ATOM 962 O GLU A 65 -7.680 -7.960 6.678 1.00 0.00 O ATOM 963 CB GLU A 65 -9.662 -10.331 5.621 1.00 0.00 C ATOM 964 CG GLU A 65 -10.698 -9.414 6.251 1.00 0.00 C ATOM 965 CD GLU A 65 -11.846 -10.179 6.880 1.00 0.00 C ATOM 966 OE1 GLU A 65 -11.620 -11.317 7.340 1.00 0.00 O ATOM 967 OE2 GLU A 65 -12.972 -9.637 6.914 1.00 0.00 O ATOM 0 H GLU A 65 -8.025 -11.420 4.139 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.773 -8.733 4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.126 -10.881 4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.344 -11.067 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.218 -8.797 7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.090 -8.738 5.491 1.00 0.00 H new ATOM 974 N VAL A 66 -6.675 -9.975 6.710 1.00 0.00 N ATOM 975 CA VAL A 66 -5.738 -9.649 7.792 1.00 0.00 C ATOM 976 C VAL A 66 -5.189 -8.229 7.608 1.00 0.00 C ATOM 977 O VAL A 66 -4.893 -7.522 8.570 1.00 0.00 O ATOM 978 CB VAL A 66 -4.575 -10.687 7.816 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.156 -11.035 6.404 1.00 0.00 C ATOM 980 CG2 VAL A 66 -3.353 -10.215 8.599 1.00 0.00 C ATOM 0 H VAL A 66 -6.579 -10.926 6.353 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.265 -9.692 8.745 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.966 -11.566 8.329 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.343 -11.761 6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.004 -11.462 5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.819 -10.134 5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.584 -10.987 8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.964 -9.301 8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.637 -10.020 9.633 1.00 0.00 H new ATOM 990 N ALA A 67 -5.058 -7.833 6.356 1.00 0.00 N ATOM 991 CA ALA A 67 -4.544 -6.519 6.007 1.00 0.00 C ATOM 992 C ALA A 67 -5.548 -5.411 6.309 1.00 0.00 C ATOM 993 O ALA A 67 -5.302 -4.545 7.148 1.00 0.00 O ATOM 994 CB ALA A 67 -4.177 -6.502 4.536 1.00 0.00 C ATOM 0 H ALA A 67 -5.304 -8.411 5.552 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.661 -6.328 6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.791 -5.518 4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.414 -7.256 4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.062 -6.719 3.938 1.00 0.00 H new ATOM 1000 N PHE A 68 -6.666 -5.433 5.597 1.00 0.00 N ATOM 1001 CA PHE A 68 -7.701 -4.419 5.756 1.00 0.00 C ATOM 1002 C PHE A 68 -8.096 -4.214 7.218 1.00 0.00 C ATOM 1003 O PHE A 68 -8.008 -3.101 7.736 1.00 0.00 O ATOM 1004 CB PHE A 68 -8.921 -4.782 4.912 1.00 0.00 C ATOM 1005 CG PHE A 68 -8.662 -4.682 3.451 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.511 -3.450 2.848 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -8.564 -5.821 2.680 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.267 -3.356 1.500 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.320 -5.735 1.333 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.168 -4.501 0.738 1.00 0.00 C ATOM 0 H PHE A 68 -6.881 -6.146 4.900 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.290 -3.472 5.407 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.234 -5.798 5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.748 -4.123 5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.585 -2.551 3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.681 -6.791 3.141 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.153 -2.387 1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.247 -6.634 0.739 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.972 -4.431 -0.322 1.00 0.00 H new ATOM 1020 N MET A 69 -8.535 -5.278 7.882 1.00 0.00 N ATOM 1021 CA MET A 69 -8.941 -5.175 9.283 1.00 0.00 C ATOM 1022 C MET A 69 -9.219 -6.544 9.900 1.00 0.00 C ATOM 1023 O MET A 69 -8.937 -6.768 11.075 1.00 0.00 O ATOM 1024 CB MET A 69 -10.183 -4.290 9.407 1.00 0.00 C ATOM 1025 CG MET A 69 -9.865 -2.834 9.707 1.00 0.00 C ATOM 1026 SD MET A 69 -10.951 -2.131 10.963 1.00 0.00 S ATOM 1027 CE MET A 69 -12.200 -1.361 9.936 1.00 0.00 C ATOM 0 H MET A 69 -8.619 -6.212 7.481 1.00 0.00 H new ATOM 0 HA MET A 69 -8.112 -4.726 9.830 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.752 -4.345 8.479 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.822 -4.684 10.197 1.00 0.00 H new ATOM 0 HG2 MET A 69 -8.830 -2.753 10.040 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.951 -2.251 8.790 1.00 0.00 H new ATOM 0 HE1 MET A 69 -12.947 -0.881 10.569 1.00 0.00 H new ATOM 0 HE2 MET A 69 -11.733 -0.613 9.295 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.681 -2.119 9.318 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.782 -7.449 9.108 1.00 0.00 N ATOM 1038 CA LYS A 70 -10.105 -8.791 9.584 1.00 0.00 C ATOM 1039 C LYS A 70 -10.888 -8.735 10.894 1.00 0.00 C ATOM 1040 O LYS A 70 -11.549 -7.706 11.142 1.00 0.00 O ATOM 1041 CB LYS A 70 -8.827 -9.626 9.757 1.00 0.00 C ATOM 1042 CG LYS A 70 -8.017 -9.302 11.008 1.00 0.00 C ATOM 1043 CD LYS A 70 -6.842 -8.388 10.695 1.00 0.00 C ATOM 1044 CE LYS A 70 -5.513 -9.082 10.941 1.00 0.00 C ATOM 1045 NZ LYS A 70 -4.720 -8.406 12.004 1.00 0.00 N ATOM 1046 OXT LYS A 70 -10.833 -9.722 11.657 1.00 0.00 O ATOM 0 H LYS A 70 -10.025 -7.279 8.132 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.734 -9.271 8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.099 -10.681 9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.193 -9.480 8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.662 -8.826 11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.650 -10.227 11.454 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.898 -8.066 9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.904 -7.491 11.311 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.693 -10.119 11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.937 -9.101 10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.821 -8.911 12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.526 -7.424 11.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.258 -8.410 12.894 1.00 0.00 H new TER 1060 LYS A 70