USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 580 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 50 THR OG1 : rot -30:sc= 0.943 USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.741 K(o=1.7,f=-5.5!) USER MOD Set 2.1: A 60 HIS :FLIP no HE2:sc= 0.035 F(o=-1.4,f=-0.84) USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.873 X(o=-0.84,f=-0.99) USER MOD Set 3.1: A 49 LYS NZ :NH3+ 176:sc= 0.713 (180deg=-0.176) USER MOD Set 3.2: A 56 SER OG : rot -61:sc= 0.682 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0109 (180deg=-0.108) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0588) USER MOD Single : A 7 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.05) USER MOD Single : A 13 LYS NZ :NH3+ -145:sc= 2.85 (180deg=0.266) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 165:sc= -0.0243 (180deg=-0.224) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -149:sc= -0.634 (180deg=-2.21!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -2.43 X(o=-2.4,f=-2.4!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= -0.0843 (180deg=-0.431) USER MOD Single : A 33 SER OG : rot 82:sc= 1.17 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.388 K(o=-0.39,f=-2.4!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -124:sc= -1.51! (180deg=-2.03!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -0.22 K(o=-0.22,f=-1.7!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.399 -4.838 1.062 1.00 0.00 N ATOM 2 CA MET A 1 13.375 -5.193 0.019 1.00 0.00 C ATOM 3 C MET A 1 12.725 -5.234 -1.354 1.00 0.00 C ATOM 4 O MET A 1 13.330 -4.838 -2.347 1.00 0.00 O ATOM 5 CB MET A 1 14.001 -6.576 0.298 1.00 0.00 C ATOM 6 CG MET A 1 15.021 -7.029 -0.752 1.00 0.00 C ATOM 7 SD MET A 1 15.660 -8.693 -0.445 1.00 0.00 S ATOM 8 CE MET A 1 16.766 -8.885 -1.849 1.00 0.00 C ATOM 0 H1 MET A 1 12.898 -4.652 1.955 1.00 0.00 H new ATOM 0 H2 MET A 1 11.877 -3.986 0.773 1.00 0.00 H new ATOM 0 H3 MET A 1 11.732 -5.625 1.195 1.00 0.00 H new ATOM 0 HA MET A 1 14.148 -4.424 0.035 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.487 -6.552 1.273 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.204 -7.317 0.357 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.557 -7.000 -1.738 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.852 -6.324 -0.771 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.241 -9.865 -1.806 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.197 -8.798 -2.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.531 -8.109 -1.818 1.00 0.00 H new ATOM 20 N ASN A 2 11.499 -5.702 -1.420 1.00 0.00 N ATOM 21 CA ASN A 2 10.861 -5.936 -2.695 1.00 0.00 C ATOM 22 C ASN A 2 9.656 -5.071 -2.848 1.00 0.00 C ATOM 23 O ASN A 2 8.610 -5.336 -2.240 1.00 0.00 O ATOM 24 CB ASN A 2 10.421 -7.403 -2.828 1.00 0.00 C ATOM 25 CG ASN A 2 11.536 -8.391 -2.641 1.00 0.00 C ATOM 26 OD1 ASN A 2 12.220 -8.763 -3.590 1.00 0.00 O ATOM 27 ND2 ASN A 2 11.712 -8.854 -1.418 1.00 0.00 N ATOM 0 H ASN A 2 10.925 -5.928 -0.608 1.00 0.00 H new ATOM 0 HA ASN A 2 11.590 -5.699 -3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 2 9.641 -7.606 -2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 2 9.978 -7.552 -3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 2 12.438 -9.547 -1.234 1.00 0.00 H new ATOM 0 HD22 ASN A 2 11.122 -8.519 -0.656 1.00 0.00 H new ATOM 34 N VAL A 3 9.769 -4.048 -3.665 1.00 0.00 N ATOM 35 CA VAL A 3 8.630 -3.185 -3.938 1.00 0.00 C ATOM 36 C VAL A 3 7.532 -3.963 -4.663 1.00 0.00 C ATOM 37 O VAL A 3 6.361 -3.641 -4.554 1.00 0.00 O ATOM 38 CB VAL A 3 9.016 -1.905 -4.718 1.00 0.00 C ATOM 39 CG1 VAL A 3 9.934 -1.037 -3.870 1.00 0.00 C ATOM 40 CG2 VAL A 3 9.681 -2.247 -6.048 1.00 0.00 C ATOM 0 H VAL A 3 10.628 -3.790 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 3 8.247 -2.849 -2.974 1.00 0.00 H new ATOM 0 HB VAL A 3 8.104 -1.350 -4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 3 10.201 -0.138 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.421 -0.756 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.838 -1.594 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.940 -1.327 -6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.585 -2.827 -5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.993 -2.831 -6.659 1.00 0.00 H new ATOM 50 N THR A 4 7.930 -5.028 -5.351 1.00 0.00 N ATOM 51 CA THR A 4 7.001 -5.915 -6.019 1.00 0.00 C ATOM 52 C THR A 4 6.103 -6.654 -4.993 1.00 0.00 C ATOM 53 O THR A 4 4.925 -6.917 -5.261 1.00 0.00 O ATOM 54 CB THR A 4 7.751 -6.932 -6.929 1.00 0.00 C ATOM 55 OG1 THR A 4 6.830 -7.810 -7.585 1.00 0.00 O ATOM 56 CG2 THR A 4 8.756 -7.745 -6.127 1.00 0.00 C ATOM 0 H THR A 4 8.908 -5.296 -5.458 1.00 0.00 H new ATOM 0 HA THR A 4 6.359 -5.305 -6.654 1.00 0.00 H new ATOM 0 HB THR A 4 8.288 -6.360 -7.685 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.324 -8.438 -8.152 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.265 -8.447 -6.787 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.488 -7.075 -5.675 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.236 -8.296 -5.343 1.00 0.00 H new ATOM 64 N LYS A 5 6.648 -6.949 -3.811 1.00 0.00 N ATOM 65 CA LYS A 5 5.875 -7.603 -2.768 1.00 0.00 C ATOM 66 C LYS A 5 4.950 -6.611 -2.128 1.00 0.00 C ATOM 67 O LYS A 5 3.818 -6.922 -1.822 1.00 0.00 O ATOM 68 CB LYS A 5 6.762 -8.291 -1.715 1.00 0.00 C ATOM 69 CG LYS A 5 7.406 -9.599 -2.172 1.00 0.00 C ATOM 70 CD LYS A 5 6.337 -10.625 -2.543 1.00 0.00 C ATOM 71 CE LYS A 5 6.922 -11.990 -2.885 1.00 0.00 C ATOM 72 NZ LYS A 5 7.562 -12.653 -1.722 1.00 0.00 N ATOM 0 H LYS A 5 7.615 -6.745 -3.559 1.00 0.00 H new ATOM 0 HA LYS A 5 5.290 -8.394 -3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.550 -7.599 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.160 -8.490 -0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.052 -9.412 -3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.038 -9.996 -1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.639 -10.732 -1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.766 -10.256 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.131 -12.632 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.658 -11.875 -3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.805 -13.633 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.427 -12.138 -1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.903 -12.654 -0.917 1.00 0.00 H new ATOM 86 N LEU A 6 5.427 -5.400 -1.979 1.00 0.00 N ATOM 87 CA LEU A 6 4.629 -4.330 -1.435 1.00 0.00 C ATOM 88 C LEU A 6 3.481 -4.023 -2.404 1.00 0.00 C ATOM 89 O LEU A 6 2.350 -3.784 -1.994 1.00 0.00 O ATOM 90 CB LEU A 6 5.514 -3.114 -1.214 1.00 0.00 C ATOM 91 CG LEU A 6 4.907 -1.932 -0.464 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.317 -2.375 0.870 1.00 0.00 C ATOM 93 CD2 LEU A 6 5.982 -0.894 -0.230 1.00 0.00 C ATOM 0 H LEU A 6 6.377 -5.129 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 6 4.199 -4.616 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.402 -3.438 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.848 -2.759 -2.189 1.00 0.00 H new ATOM 0 HG LEU A 6 4.102 -1.509 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.891 -1.513 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.536 -3.115 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.101 -2.814 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.557 -0.045 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.787 -1.331 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.378 -0.557 -1.188 1.00 0.00 H new ATOM 105 N ASN A 7 3.793 -4.072 -3.689 1.00 0.00 N ATOM 106 CA ASN A 7 2.814 -3.927 -4.756 1.00 0.00 C ATOM 107 C ASN A 7 1.766 -5.043 -4.664 1.00 0.00 C ATOM 108 O ASN A 7 0.572 -4.816 -4.863 1.00 0.00 O ATOM 109 CB ASN A 7 3.517 -3.987 -6.125 1.00 0.00 C ATOM 110 CG ASN A 7 2.564 -3.881 -7.305 1.00 0.00 C ATOM 111 OD1 ASN A 7 2.042 -4.885 -7.787 1.00 0.00 O ATOM 112 ND2 ASN A 7 2.353 -2.686 -7.791 1.00 0.00 N ATOM 0 H ASN A 7 4.745 -4.215 -4.025 1.00 0.00 H new ATOM 0 HA ASN A 7 2.318 -2.962 -4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.247 -3.180 -6.185 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.070 -4.923 -6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.738 -2.564 -8.596 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.803 -1.876 -7.365 1.00 0.00 H new ATOM 119 N ASP A 8 2.229 -6.235 -4.341 1.00 0.00 N ATOM 120 CA ASP A 8 1.368 -7.417 -4.188 1.00 0.00 C ATOM 121 C ASP A 8 0.424 -7.239 -2.993 1.00 0.00 C ATOM 122 O ASP A 8 -0.746 -7.633 -3.036 1.00 0.00 O ATOM 123 CB ASP A 8 2.237 -8.670 -4.011 1.00 0.00 C ATOM 124 CG ASP A 8 1.445 -9.946 -3.871 1.00 0.00 C ATOM 125 OD1 ASP A 8 1.030 -10.280 -2.759 1.00 0.00 O ATOM 126 OD2 ASP A 8 1.270 -10.668 -4.863 1.00 0.00 O ATOM 0 H ASP A 8 3.217 -6.423 -4.174 1.00 0.00 H new ATOM 0 HA ASP A 8 0.760 -7.535 -5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.906 -8.761 -4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.864 -8.544 -3.128 1.00 0.00 H new ATOM 131 N ARG A 9 0.927 -6.603 -1.947 1.00 0.00 N ATOM 132 CA ARG A 9 0.128 -6.295 -0.758 1.00 0.00 C ATOM 133 C ARG A 9 -0.967 -5.296 -1.119 1.00 0.00 C ATOM 134 O ARG A 9 -2.081 -5.339 -0.570 1.00 0.00 O ATOM 135 CB ARG A 9 1.021 -5.756 0.364 1.00 0.00 C ATOM 136 CG ARG A 9 2.106 -6.735 0.764 1.00 0.00 C ATOM 137 CD ARG A 9 3.065 -6.170 1.793 1.00 0.00 C ATOM 138 NE ARG A 9 4.195 -7.090 2.002 1.00 0.00 N ATOM 139 CZ ARG A 9 5.345 -6.796 2.620 1.00 0.00 C ATOM 140 NH1 ARG A 9 5.504 -5.620 3.234 1.00 0.00 N ATOM 141 NH2 ARG A 9 6.327 -7.696 2.647 1.00 0.00 N ATOM 0 H ARG A 9 1.894 -6.285 -1.892 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.343 -7.209 -0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.480 -4.822 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.406 -5.525 1.234 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.644 -7.638 1.164 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.666 -7.030 -0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.434 -5.200 1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.542 -6.006 2.735 1.00 0.00 H new ATOM 0 HE ARG A 9 4.092 -8.039 1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.745 -4.938 3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.384 -5.404 3.703 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.200 -8.603 2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.206 -7.478 3.116 1.00 0.00 H new ATOM 155 N ILE A 10 -0.650 -4.415 -2.070 1.00 0.00 N ATOM 156 CA ILE A 10 -1.610 -3.467 -2.605 1.00 0.00 C ATOM 157 C ILE A 10 -2.718 -4.218 -3.328 1.00 0.00 C ATOM 158 O ILE A 10 -3.868 -3.870 -3.189 1.00 0.00 O ATOM 159 CB ILE A 10 -0.948 -2.435 -3.571 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.083 -1.596 -2.812 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.999 -1.530 -4.246 1.00 0.00 C ATOM 162 CD1 ILE A 10 0.847 -0.622 -3.677 1.00 0.00 C ATOM 0 H ILE A 10 0.279 -4.344 -2.485 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.023 -2.906 -1.767 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.443 -2.989 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.426 -1.042 -2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.792 -2.266 -2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.499 -0.825 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.691 -2.144 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.550 -0.981 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.556 -0.068 -3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.387 -1.168 -4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.150 0.074 -4.144 1.00 0.00 H new ATOM 174 N GLU A 11 -2.357 -5.281 -4.055 1.00 0.00 N ATOM 175 CA GLU A 11 -3.336 -6.100 -4.788 1.00 0.00 C ATOM 176 C GLU A 11 -4.424 -6.602 -3.843 1.00 0.00 C ATOM 177 O GLU A 11 -5.617 -6.417 -4.095 1.00 0.00 O ATOM 178 CB GLU A 11 -2.664 -7.297 -5.479 1.00 0.00 C ATOM 179 CG GLU A 11 -3.637 -8.173 -6.257 1.00 0.00 C ATOM 180 CD GLU A 11 -2.996 -9.392 -6.875 1.00 0.00 C ATOM 181 OE1 GLU A 11 -2.920 -10.438 -6.212 1.00 0.00 O ATOM 182 OE2 GLU A 11 -2.596 -9.340 -8.059 1.00 0.00 O ATOM 0 H GLU A 11 -1.392 -5.597 -4.153 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.783 -5.467 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.895 -6.930 -6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.161 -7.905 -4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.437 -8.493 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.098 -7.577 -7.045 1.00 0.00 H new ATOM 189 N ALA A 12 -4.000 -7.164 -2.724 1.00 0.00 N ATOM 190 CA ALA A 12 -4.916 -7.695 -1.726 1.00 0.00 C ATOM 191 C ALA A 12 -5.738 -6.576 -1.084 1.00 0.00 C ATOM 192 O ALA A 12 -6.871 -6.785 -0.644 1.00 0.00 O ATOM 193 CB ALA A 12 -4.147 -8.467 -0.676 1.00 0.00 C ATOM 0 H ALA A 12 -3.015 -7.265 -2.481 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.611 -8.374 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.841 -8.861 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.614 -9.292 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.431 -7.805 -0.189 1.00 0.00 H new ATOM 199 N LYS A 13 -5.171 -5.386 -1.068 1.00 0.00 N ATOM 200 CA LYS A 13 -5.825 -4.223 -0.514 1.00 0.00 C ATOM 201 C LYS A 13 -6.898 -3.723 -1.490 1.00 0.00 C ATOM 202 O LYS A 13 -7.987 -3.320 -1.084 1.00 0.00 O ATOM 203 CB LYS A 13 -4.788 -3.123 -0.230 1.00 0.00 C ATOM 204 CG LYS A 13 -5.337 -1.913 0.499 1.00 0.00 C ATOM 205 CD LYS A 13 -5.909 -2.321 1.836 1.00 0.00 C ATOM 206 CE LYS A 13 -6.420 -1.144 2.615 1.00 0.00 C ATOM 207 NZ LYS A 13 -6.982 -1.583 3.892 1.00 0.00 N ATOM 0 H LYS A 13 -4.240 -5.201 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.307 -4.489 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.977 -3.550 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.356 -2.796 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.546 -1.177 0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.109 -1.436 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.720 -3.032 1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.142 -2.834 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.610 -0.437 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.181 -0.620 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.797 -0.985 4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.291 -2.573 3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.259 -1.504 4.635 1.00 0.00 H new ATOM 221 N LYS A 14 -6.574 -3.778 -2.775 1.00 0.00 N ATOM 222 CA LYS A 14 -7.486 -3.383 -3.840 1.00 0.00 C ATOM 223 C LYS A 14 -8.706 -4.280 -3.816 1.00 0.00 C ATOM 224 O LYS A 14 -9.827 -3.803 -3.836 1.00 0.00 O ATOM 225 CB LYS A 14 -6.797 -3.494 -5.209 1.00 0.00 C ATOM 226 CG LYS A 14 -5.556 -2.621 -5.363 1.00 0.00 C ATOM 227 CD LYS A 14 -4.781 -2.961 -6.631 1.00 0.00 C ATOM 228 CE LYS A 14 -5.506 -2.523 -7.884 1.00 0.00 C ATOM 229 NZ LYS A 14 -4.846 -3.039 -9.100 1.00 0.00 N ATOM 0 H LYS A 14 -5.666 -4.100 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.784 -2.347 -3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.518 -4.534 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.513 -3.226 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.850 -1.572 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.909 -2.751 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.802 -2.483 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.609 -4.037 -6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.537 -2.875 -7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.542 -1.434 -7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.369 -2.720 -9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.870 -2.682 -9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.834 -4.079 -9.074 1.00 0.00 H new ATOM 243 N LYS A 15 -8.463 -5.589 -3.728 1.00 0.00 N ATOM 244 CA LYS A 15 -9.535 -6.593 -3.691 1.00 0.00 C ATOM 245 C LYS A 15 -10.453 -6.339 -2.496 1.00 0.00 C ATOM 246 O LYS A 15 -11.681 -6.382 -2.614 1.00 0.00 O ATOM 247 CB LYS A 15 -8.943 -8.001 -3.579 1.00 0.00 C ATOM 248 CG LYS A 15 -7.951 -8.360 -4.681 1.00 0.00 C ATOM 249 CD LYS A 15 -7.366 -9.756 -4.485 1.00 0.00 C ATOM 250 CE LYS A 15 -8.402 -10.847 -4.718 1.00 0.00 C ATOM 251 NZ LYS A 15 -8.838 -10.896 -6.130 1.00 0.00 N ATOM 0 H LYS A 15 -7.524 -5.984 -3.680 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.109 -6.515 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.445 -8.096 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.757 -8.726 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.449 -8.307 -5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.144 -7.627 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.530 -9.898 -5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.968 -9.844 -3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.984 -11.812 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.266 -10.671 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.337 -11.791 -6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.477 -10.099 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.007 -10.833 -6.752 1.00 0.00 H new ATOM 265 N GLU A 16 -9.825 -6.053 -1.363 1.00 0.00 N ATOM 266 CA GLU A 16 -10.500 -5.762 -0.105 1.00 0.00 C ATOM 267 C GLU A 16 -11.429 -4.556 -0.267 1.00 0.00 C ATOM 268 O GLU A 16 -12.615 -4.599 0.113 1.00 0.00 O ATOM 269 CB GLU A 16 -9.436 -5.444 0.951 1.00 0.00 C ATOM 270 CG GLU A 16 -9.961 -5.136 2.340 1.00 0.00 C ATOM 271 CD GLU A 16 -8.868 -4.625 3.242 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.052 -5.435 3.736 1.00 0.00 O ATOM 273 OE2 GLU A 16 -8.791 -3.411 3.462 1.00 0.00 O ATOM 0 H GLU A 16 -8.808 -6.016 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.096 -6.623 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.754 -6.291 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.851 -4.591 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.756 -4.393 2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.400 -6.035 2.772 1.00 0.00 H new ATOM 280 N LEU A 17 -10.881 -3.502 -0.847 1.00 0.00 N ATOM 281 CA LEU A 17 -11.587 -2.256 -1.040 1.00 0.00 C ATOM 282 C LEU A 17 -12.724 -2.429 -2.043 1.00 0.00 C ATOM 283 O LEU A 17 -13.859 -2.045 -1.765 1.00 0.00 O ATOM 284 CB LEU A 17 -10.608 -1.162 -1.496 1.00 0.00 C ATOM 285 CG LEU A 17 -11.158 0.266 -1.564 1.00 0.00 C ATOM 286 CD1 LEU A 17 -11.625 0.716 -0.194 1.00 0.00 C ATOM 287 CD2 LEU A 17 -10.103 1.218 -2.089 1.00 0.00 C ATOM 0 H LEU A 17 -9.924 -3.491 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.027 -1.951 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.753 -1.166 -0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.234 -1.430 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.007 0.274 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.013 1.733 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.411 0.049 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.787 0.691 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.512 2.228 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.238 1.204 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.799 0.909 -3.089 1.00 0.00 H new ATOM 299 N ILE A 18 -12.417 -3.048 -3.193 1.00 0.00 N ATOM 300 CA ILE A 18 -13.405 -3.301 -4.249 1.00 0.00 C ATOM 301 C ILE A 18 -14.615 -4.043 -3.689 1.00 0.00 C ATOM 302 O ILE A 18 -15.754 -3.642 -3.927 1.00 0.00 O ATOM 303 CB ILE A 18 -12.785 -4.090 -5.455 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.748 -3.217 -6.185 1.00 0.00 C ATOM 305 CG2 ILE A 18 -13.864 -4.583 -6.432 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.025 -3.920 -7.322 1.00 0.00 C ATOM 0 H ILE A 18 -11.480 -3.385 -3.415 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.732 -2.332 -4.626 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.286 -4.972 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.249 -2.333 -6.580 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.011 -2.869 -5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.392 -5.124 -7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.553 -5.246 -5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.413 -3.729 -6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.314 -3.233 -7.781 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.492 -4.788 -6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.750 -4.244 -8.069 1.00 0.00 H new ATOM 318 N TYR A 19 -14.345 -5.072 -2.890 1.00 0.00 N ATOM 319 CA TYR A 19 -15.379 -5.885 -2.244 1.00 0.00 C ATOM 320 C TYR A 19 -16.354 -5.006 -1.438 1.00 0.00 C ATOM 321 O TYR A 19 -17.586 -5.146 -1.547 1.00 0.00 O ATOM 322 CB TYR A 19 -14.698 -6.928 -1.334 1.00 0.00 C ATOM 323 CG TYR A 19 -15.633 -7.798 -0.515 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.248 -8.914 -1.066 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.878 -7.507 0.820 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.082 -9.712 -0.304 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.710 -8.296 1.580 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.308 -9.395 1.019 1.00 0.00 C ATOM 329 OH TYR A 19 -18.138 -10.185 1.784 1.00 0.00 O ATOM 0 H TYR A 19 -13.395 -5.370 -2.669 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.964 -6.396 -3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.079 -7.576 -1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.027 -6.405 -0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.073 -9.162 -2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.407 -6.646 1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.554 -10.579 -0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.892 -8.050 2.616 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.188 -9.823 2.693 1.00 0.00 H new ATOM 339 N LEU A 20 -15.805 -4.079 -0.676 1.00 0.00 N ATOM 340 CA LEU A 20 -16.608 -3.198 0.159 1.00 0.00 C ATOM 341 C LEU A 20 -17.367 -2.180 -0.685 1.00 0.00 C ATOM 342 O LEU A 20 -18.540 -1.895 -0.422 1.00 0.00 O ATOM 343 CB LEU A 20 -15.733 -2.490 1.191 1.00 0.00 C ATOM 344 CG LEU A 20 -14.983 -3.398 2.167 1.00 0.00 C ATOM 345 CD1 LEU A 20 -14.103 -2.576 3.074 1.00 0.00 C ATOM 346 CD2 LEU A 20 -15.954 -4.232 2.994 1.00 0.00 C ATOM 0 H LEU A 20 -14.800 -3.914 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.339 -3.811 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.003 -1.877 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.361 -1.811 1.767 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.359 -4.077 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.575 -3.235 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.380 -2.023 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.717 -1.876 3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.394 -4.868 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.607 -3.571 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -16.556 -4.854 2.331 1.00 0.00 H new ATOM 358 N VAL A 21 -16.716 -1.665 -1.713 1.00 0.00 N ATOM 359 CA VAL A 21 -17.329 -0.679 -2.601 1.00 0.00 C ATOM 360 C VAL A 21 -18.512 -1.288 -3.362 1.00 0.00 C ATOM 361 O VAL A 21 -19.553 -0.650 -3.521 1.00 0.00 O ATOM 362 CB VAL A 21 -16.301 -0.060 -3.596 1.00 0.00 C ATOM 363 CG1 VAL A 21 -16.969 0.957 -4.518 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.159 0.603 -2.845 1.00 0.00 C ATOM 0 H VAL A 21 -15.757 -1.912 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.697 0.129 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 21 -15.904 -0.872 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.227 1.372 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -17.756 0.467 -5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.402 1.760 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.453 1.028 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.553 1.395 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.650 -0.138 -2.229 1.00 0.00 H new ATOM 374 N GLU A 22 -18.359 -2.524 -3.795 1.00 0.00 N ATOM 375 CA GLU A 22 -19.425 -3.219 -4.501 1.00 0.00 C ATOM 376 C GLU A 22 -20.639 -3.421 -3.593 1.00 0.00 C ATOM 377 O GLU A 22 -21.783 -3.194 -4.001 1.00 0.00 O ATOM 378 CB GLU A 22 -18.944 -4.584 -5.008 1.00 0.00 C ATOM 379 CG GLU A 22 -17.823 -4.530 -6.032 1.00 0.00 C ATOM 380 CD GLU A 22 -18.213 -3.820 -7.300 1.00 0.00 C ATOM 381 OE1 GLU A 22 -18.962 -4.405 -8.113 1.00 0.00 O ATOM 382 OE2 GLU A 22 -17.752 -2.688 -7.529 1.00 0.00 O ATOM 0 H GLU A 22 -17.507 -3.071 -3.672 1.00 0.00 H new ATOM 0 HA GLU A 22 -19.712 -2.600 -5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.609 -5.174 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.791 -5.111 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.961 -4.028 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.511 -5.546 -6.273 1.00 0.00 H new ATOM 389 N LYS A 23 -20.390 -3.828 -2.361 1.00 0.00 N ATOM 390 CA LYS A 23 -21.473 -4.146 -1.442 1.00 0.00 C ATOM 391 C LYS A 23 -22.077 -2.929 -0.738 1.00 0.00 C ATOM 392 O LYS A 23 -23.294 -2.772 -0.707 1.00 0.00 O ATOM 393 CB LYS A 23 -21.045 -5.220 -0.439 1.00 0.00 C ATOM 394 CG LYS A 23 -20.646 -6.528 -1.112 1.00 0.00 C ATOM 395 CD LYS A 23 -20.226 -7.626 -0.130 1.00 0.00 C ATOM 396 CE LYS A 23 -21.399 -8.320 0.594 1.00 0.00 C ATOM 397 NZ LYS A 23 -22.119 -7.467 1.568 1.00 0.00 N ATOM 0 H LYS A 23 -19.454 -3.946 -1.974 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.277 -4.545 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.206 -4.848 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.863 -5.409 0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -21.484 -6.889 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.823 -6.335 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.652 -8.379 -0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.560 -7.193 0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.110 -8.674 -0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -21.018 -9.199 1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -22.488 -8.058 2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.466 -6.757 1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.909 -6.987 1.092 1.00 0.00 H new ATOM 411 N TYR A 24 -21.255 -2.069 -0.196 1.00 0.00 N ATOM 412 CA TYR A 24 -21.761 -0.933 0.569 1.00 0.00 C ATOM 413 C TYR A 24 -21.673 0.343 -0.226 1.00 0.00 C ATOM 414 O TYR A 24 -22.555 1.189 -0.167 1.00 0.00 O ATOM 415 CB TYR A 24 -20.954 -0.732 1.842 1.00 0.00 C ATOM 416 CG TYR A 24 -20.886 -1.916 2.765 1.00 0.00 C ATOM 417 CD1 TYR A 24 -21.979 -2.296 3.526 1.00 0.00 C ATOM 418 CD2 TYR A 24 -19.716 -2.648 2.884 1.00 0.00 C ATOM 419 CE1 TYR A 24 -21.908 -3.376 4.377 1.00 0.00 C ATOM 420 CE2 TYR A 24 -19.637 -3.722 3.730 1.00 0.00 C ATOM 421 CZ TYR A 24 -20.733 -4.082 4.477 1.00 0.00 C ATOM 422 OH TYR A 24 -20.655 -5.160 5.319 1.00 0.00 O ATOM 0 H TYR A 24 -20.239 -2.122 -0.262 1.00 0.00 H new ATOM 0 HA TYR A 24 -22.801 -1.157 0.808 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -19.938 -0.452 1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -21.379 0.109 2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -22.900 -1.737 3.451 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -18.852 -2.367 2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -22.769 -3.666 4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -18.718 -4.283 3.810 1.00 0.00 H new ATOM 0 HH TYR A 24 -19.756 -5.548 5.271 1.00 0.00 H new ATOM 432 N GLY A 25 -20.604 0.488 -0.934 1.00 0.00 N ATOM 433 CA GLY A 25 -20.354 1.700 -1.649 1.00 0.00 C ATOM 434 C GLY A 25 -19.058 2.285 -1.189 1.00 0.00 C ATOM 435 O GLY A 25 -18.230 1.566 -0.632 1.00 0.00 O ATOM 0 H GLY A 25 -19.881 -0.224 -1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.318 1.503 -2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.166 2.408 -1.483 1.00 0.00 H new ATOM 439 N PHE A 26 -18.871 3.561 -1.372 1.00 0.00 N ATOM 440 CA PHE A 26 -17.610 4.179 -0.998 1.00 0.00 C ATOM 441 C PHE A 26 -17.834 5.488 -0.263 1.00 0.00 C ATOM 442 O PHE A 26 -16.911 6.299 -0.104 1.00 0.00 O ATOM 443 CB PHE A 26 -16.721 4.393 -2.250 1.00 0.00 C ATOM 444 CG PHE A 26 -17.316 5.296 -3.309 1.00 0.00 C ATOM 445 CD1 PHE A 26 -18.218 4.802 -4.234 1.00 0.00 C ATOM 446 CD2 PHE A 26 -16.968 6.637 -3.372 1.00 0.00 C ATOM 447 CE1 PHE A 26 -18.762 5.623 -5.198 1.00 0.00 C ATOM 448 CE2 PHE A 26 -17.508 7.462 -4.335 1.00 0.00 C ATOM 449 CZ PHE A 26 -18.408 6.954 -5.247 1.00 0.00 C ATOM 0 H PHE A 26 -19.561 4.196 -1.773 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.092 3.504 -0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -15.766 4.811 -1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.510 3.422 -2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -18.499 3.760 -4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.265 7.040 -2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -19.465 5.224 -5.914 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.227 8.504 -4.375 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.836 7.599 -6.000 1.00 0.00 H new ATOM 459 N THR A 27 -19.019 5.682 0.218 1.00 0.00 N ATOM 460 CA THR A 27 -19.363 6.930 0.827 1.00 0.00 C ATOM 461 C THR A 27 -19.038 6.953 2.332 1.00 0.00 C ATOM 462 O THR A 27 -18.777 8.013 2.902 1.00 0.00 O ATOM 463 CB THR A 27 -20.845 7.205 0.582 1.00 0.00 C ATOM 464 OG1 THR A 27 -21.125 6.866 -0.787 1.00 0.00 O ATOM 465 CG2 THR A 27 -21.169 8.680 0.793 1.00 0.00 C ATOM 0 H THR A 27 -19.769 4.991 0.202 1.00 0.00 H new ATOM 0 HA THR A 27 -18.760 7.716 0.373 1.00 0.00 H new ATOM 0 HB THR A 27 -21.445 6.618 1.278 1.00 0.00 H new ATOM 0 HG1 THR A 27 -22.072 7.030 -0.977 1.00 0.00 H new ATOM 0 HG21 THR A 27 -22.231 8.849 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 27 -20.926 8.963 1.817 1.00 0.00 H new ATOM 0 HG23 THR A 27 -20.583 9.284 0.101 1.00 0.00 H new ATOM 473 N HIS A 28 -19.007 5.793 2.959 1.00 0.00 N ATOM 474 CA HIS A 28 -18.781 5.746 4.393 1.00 0.00 C ATOM 475 C HIS A 28 -17.278 5.827 4.743 1.00 0.00 C ATOM 476 O HIS A 28 -16.407 5.517 3.910 1.00 0.00 O ATOM 477 CB HIS A 28 -19.494 4.540 5.052 1.00 0.00 C ATOM 478 CG HIS A 28 -18.973 3.186 4.689 1.00 0.00 C ATOM 479 ND1 HIS A 28 -19.469 2.404 3.671 1.00 0.00 N ATOM 480 CD2 HIS A 28 -17.995 2.461 5.271 1.00 0.00 C ATOM 481 CE1 HIS A 28 -18.789 1.257 3.676 1.00 0.00 C ATOM 482 NE2 HIS A 28 -17.881 1.245 4.631 1.00 0.00 N ATOM 0 H HIS A 28 -19.133 4.886 2.510 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.239 6.637 4.823 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.429 4.653 6.134 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -20.551 4.582 4.790 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.394 2.783 6.109 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -18.960 0.443 2.987 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -17.229 0.492 4.851 1.00 0.00 H new ATOM 490 N HIS A 29 -16.999 6.195 5.987 1.00 0.00 N ATOM 491 CA HIS A 29 -15.637 6.500 6.469 1.00 0.00 C ATOM 492 C HIS A 29 -14.653 5.353 6.377 1.00 0.00 C ATOM 493 O HIS A 29 -13.459 5.587 6.165 1.00 0.00 O ATOM 494 CB HIS A 29 -15.655 7.065 7.891 1.00 0.00 C ATOM 495 CG HIS A 29 -16.264 8.426 7.995 1.00 0.00 C ATOM 496 ND1 HIS A 29 -15.530 9.585 8.053 1.00 0.00 N ATOM 497 CD2 HIS A 29 -17.561 8.804 8.061 1.00 0.00 C ATOM 498 CE1 HIS A 29 -16.372 10.608 8.151 1.00 0.00 C ATOM 499 NE2 HIS A 29 -17.628 10.189 8.161 1.00 0.00 N ATOM 0 H HIS A 29 -17.714 6.294 6.707 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.274 7.260 5.777 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.206 6.381 8.536 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.633 7.105 8.268 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.410 8.136 8.039 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -16.072 11.644 8.214 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -18.469 10.762 8.228 1.00 0.00 H new ATOM 507 N LYS A 30 -15.121 4.127 6.529 1.00 0.00 N ATOM 508 CA LYS A 30 -14.218 2.981 6.453 1.00 0.00 C ATOM 509 C LYS A 30 -13.574 2.873 5.080 1.00 0.00 C ATOM 510 O LYS A 30 -12.355 2.756 4.975 1.00 0.00 O ATOM 511 CB LYS A 30 -14.892 1.669 6.853 1.00 0.00 C ATOM 512 CG LYS A 30 -15.319 1.619 8.308 1.00 0.00 C ATOM 513 CD LYS A 30 -15.900 0.261 8.666 1.00 0.00 C ATOM 514 CE LYS A 30 -16.241 0.176 10.146 1.00 0.00 C ATOM 515 NZ LYS A 30 -15.050 0.386 11.006 1.00 0.00 N ATOM 0 H LYS A 30 -16.099 3.896 6.702 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.430 3.161 7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.767 1.514 6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.207 0.845 6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.463 1.831 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.060 2.396 8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.797 0.080 8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.185 -0.521 8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.998 0.923 10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.676 -0.800 10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.251 0.043 11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.242 -0.137 10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.822 1.400 11.041 1.00 0.00 H new ATOM 529 N VAL A 31 -14.383 2.978 4.032 1.00 0.00 N ATOM 530 CA VAL A 31 -13.876 2.912 2.661 1.00 0.00 C ATOM 531 C VAL A 31 -12.900 4.060 2.406 1.00 0.00 C ATOM 532 O VAL A 31 -11.824 3.855 1.827 1.00 0.00 O ATOM 533 CB VAL A 31 -15.016 2.932 1.606 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.446 2.922 0.195 1.00 0.00 C ATOM 535 CG2 VAL A 31 -15.919 1.730 1.796 1.00 0.00 C ATOM 0 H VAL A 31 -15.392 3.109 4.102 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.356 1.960 2.554 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.593 3.847 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.262 2.936 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.818 3.801 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.849 2.022 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.715 1.752 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.337 0.816 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.355 1.756 2.795 1.00 0.00 H new ATOM 545 N ILE A 32 -13.261 5.249 2.892 1.00 0.00 N ATOM 546 CA ILE A 32 -12.411 6.429 2.767 1.00 0.00 C ATOM 547 C ILE A 32 -11.044 6.151 3.413 1.00 0.00 C ATOM 548 O ILE A 32 -10.000 6.333 2.786 1.00 0.00 O ATOM 549 CB ILE A 32 -13.070 7.677 3.432 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.435 7.970 2.777 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.149 8.899 3.327 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.190 9.137 3.389 1.00 0.00 C ATOM 0 H ILE A 32 -14.142 5.418 3.378 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.280 6.644 1.707 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.228 7.462 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.279 8.170 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.056 7.076 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.629 9.758 3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.206 8.688 3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.957 9.121 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.138 9.271 2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.382 8.934 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.593 10.045 3.297 1.00 0.00 H new ATOM 564 N SER A 33 -11.077 5.630 4.627 1.00 0.00 N ATOM 565 CA SER A 33 -9.878 5.303 5.366 1.00 0.00 C ATOM 566 C SER A 33 -9.035 4.249 4.631 1.00 0.00 C ATOM 567 O SER A 33 -7.812 4.376 4.544 1.00 0.00 O ATOM 568 CB SER A 33 -10.249 4.822 6.761 1.00 0.00 C ATOM 569 OG SER A 33 -11.035 5.801 7.441 1.00 0.00 O ATOM 0 H SER A 33 -11.942 5.422 5.127 1.00 0.00 H new ATOM 0 HA SER A 33 -9.269 6.203 5.450 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.804 3.886 6.693 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.344 4.615 7.332 1.00 0.00 H new ATOM 0 HG SER A 33 -11.971 5.719 7.164 1.00 0.00 H new ATOM 575 N PHE A 34 -9.692 3.239 4.063 1.00 0.00 N ATOM 576 CA PHE A 34 -8.984 2.200 3.335 1.00 0.00 C ATOM 577 C PHE A 34 -8.372 2.730 2.045 1.00 0.00 C ATOM 578 O PHE A 34 -7.299 2.285 1.642 1.00 0.00 O ATOM 579 CB PHE A 34 -9.862 0.977 3.045 1.00 0.00 C ATOM 580 CG PHE A 34 -10.356 0.249 4.267 1.00 0.00 C ATOM 581 CD1 PHE A 34 -9.505 -0.047 5.318 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.670 -0.160 4.346 1.00 0.00 C ATOM 583 CE1 PHE A 34 -9.961 -0.728 6.426 1.00 0.00 C ATOM 584 CE2 PHE A 34 -12.135 -0.840 5.454 1.00 0.00 C ATOM 585 CZ PHE A 34 -11.280 -1.126 6.494 1.00 0.00 C ATOM 0 H PHE A 34 -10.705 3.123 4.095 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.177 1.874 3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.723 1.297 2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.296 0.279 2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.471 0.260 5.269 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.345 0.054 3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.287 -0.950 7.240 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.169 -1.147 5.505 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.641 -1.660 7.361 1.00 0.00 H new ATOM 595 N SER A 35 -9.035 3.683 1.413 1.00 0.00 N ATOM 596 CA SER A 35 -8.528 4.279 0.195 1.00 0.00 C ATOM 597 C SER A 35 -7.284 5.131 0.513 1.00 0.00 C ATOM 598 O SER A 35 -6.325 5.169 -0.267 1.00 0.00 O ATOM 599 CB SER A 35 -9.628 5.111 -0.492 1.00 0.00 C ATOM 600 OG SER A 35 -9.209 5.590 -1.767 1.00 0.00 O ATOM 0 H SER A 35 -9.929 4.060 1.727 1.00 0.00 H new ATOM 0 HA SER A 35 -8.232 3.493 -0.500 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.525 4.503 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.896 5.955 0.144 1.00 0.00 H new ATOM 0 HG SER A 35 -9.932 6.112 -2.174 1.00 0.00 H new ATOM 606 N GLN A 36 -7.297 5.781 1.676 1.00 0.00 N ATOM 607 CA GLN A 36 -6.148 6.558 2.158 1.00 0.00 C ATOM 608 C GLN A 36 -5.008 5.617 2.515 1.00 0.00 C ATOM 609 O GLN A 36 -3.832 5.936 2.338 1.00 0.00 O ATOM 610 CB GLN A 36 -6.524 7.342 3.403 1.00 0.00 C ATOM 611 CG GLN A 36 -7.627 8.353 3.215 1.00 0.00 C ATOM 612 CD GLN A 36 -8.090 8.912 4.535 1.00 0.00 C ATOM 613 OE1 GLN A 36 -8.030 8.230 5.564 1.00 0.00 O ATOM 614 NE2 GLN A 36 -8.560 10.123 4.532 1.00 0.00 N ATOM 0 H GLN A 36 -8.097 5.786 2.309 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.843 7.245 1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.826 6.638 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.637 7.859 3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.275 9.164 2.578 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.467 7.886 2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.593 10.655 3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.896 10.542 5.399 1.00 0.00 H new ATOM 623 N GLU A 37 -5.370 4.462 3.031 1.00 0.00 N ATOM 624 CA GLU A 37 -4.418 3.454 3.421 1.00 0.00 C ATOM 625 C GLU A 37 -3.777 2.820 2.190 1.00 0.00 C ATOM 626 O GLU A 37 -2.571 2.625 2.150 1.00 0.00 O ATOM 627 CB GLU A 37 -5.097 2.426 4.325 1.00 0.00 C ATOM 628 CG GLU A 37 -4.192 1.343 4.866 1.00 0.00 C ATOM 629 CD GLU A 37 -4.831 0.622 6.021 1.00 0.00 C ATOM 630 OE1 GLU A 37 -5.593 -0.337 5.805 1.00 0.00 O ATOM 631 OE2 GLU A 37 -4.609 1.031 7.175 1.00 0.00 O ATOM 0 H GLU A 37 -6.342 4.198 3.191 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.611 3.911 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.552 2.950 5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.907 1.955 3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.960 0.631 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.247 1.782 5.187 1.00 0.00 H new ATOM 638 N LEU A 38 -4.585 2.550 1.172 1.00 0.00 N ATOM 639 CA LEU A 38 -4.092 2.006 -0.093 1.00 0.00 C ATOM 640 C LEU A 38 -3.127 3.029 -0.704 1.00 0.00 C ATOM 641 O LEU A 38 -2.043 2.681 -1.167 1.00 0.00 O ATOM 642 CB LEU A 38 -5.301 1.698 -1.029 1.00 0.00 C ATOM 643 CG LEU A 38 -5.054 0.875 -2.325 1.00 0.00 C ATOM 644 CD1 LEU A 38 -6.383 0.423 -2.902 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.307 1.680 -3.385 1.00 0.00 C ATOM 0 H LEU A 38 -5.594 2.700 1.196 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.555 1.069 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.049 1.168 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.743 2.650 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.438 0.018 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.208 -0.154 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.904 -0.198 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.993 1.295 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.158 1.064 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.890 2.562 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.339 1.990 -2.991 1.00 0.00 H new ATOM 657 N ASP A 39 -3.529 4.294 -0.633 1.00 0.00 N ATOM 658 CA ASP A 39 -2.720 5.434 -1.082 1.00 0.00 C ATOM 659 C ASP A 39 -1.368 5.462 -0.384 1.00 0.00 C ATOM 660 O ASP A 39 -0.346 5.693 -1.008 1.00 0.00 O ATOM 661 CB ASP A 39 -3.475 6.734 -0.795 1.00 0.00 C ATOM 662 CG ASP A 39 -2.657 7.983 -1.022 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.487 8.394 -2.190 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.220 8.611 -0.023 1.00 0.00 O ATOM 0 H ASP A 39 -4.438 4.565 -0.258 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.545 5.331 -2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.362 6.774 -1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.820 6.721 0.239 1.00 0.00 H new ATOM 669 N ARG A 40 -1.380 5.179 0.903 1.00 0.00 N ATOM 670 CA ARG A 40 -0.178 5.178 1.721 1.00 0.00 C ATOM 671 C ARG A 40 0.793 4.075 1.274 1.00 0.00 C ATOM 672 O ARG A 40 1.993 4.313 1.150 1.00 0.00 O ATOM 673 CB ARG A 40 -0.563 5.069 3.205 1.00 0.00 C ATOM 674 CG ARG A 40 0.592 5.058 4.194 1.00 0.00 C ATOM 675 CD ARG A 40 0.078 5.277 5.616 1.00 0.00 C ATOM 676 NE ARG A 40 -0.951 4.293 6.016 1.00 0.00 N ATOM 677 CZ ARG A 40 -2.196 4.600 6.454 1.00 0.00 C ATOM 678 NH1 ARG A 40 -2.632 5.864 6.448 1.00 0.00 N ATOM 679 NH2 ARG A 40 -3.002 3.640 6.880 1.00 0.00 N ATOM 0 H ARG A 40 -2.229 4.941 1.417 1.00 0.00 H new ATOM 0 HA ARG A 40 0.354 6.120 1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.219 5.904 3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.143 4.156 3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.121 4.107 4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.308 5.838 3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.915 5.222 6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.337 6.282 5.696 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.704 3.305 5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.025 6.611 6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.572 6.081 6.781 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.686 2.670 6.878 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.939 3.870 7.210 1.00 0.00 H new ATOM 693 N LEU A 41 0.258 2.893 0.988 1.00 0.00 N ATOM 694 CA LEU A 41 1.075 1.788 0.466 1.00 0.00 C ATOM 695 C LEU A 41 1.603 2.124 -0.926 1.00 0.00 C ATOM 696 O LEU A 41 2.763 1.871 -1.243 1.00 0.00 O ATOM 697 CB LEU A 41 0.295 0.452 0.416 1.00 0.00 C ATOM 698 CG LEU A 41 0.181 -0.380 1.714 1.00 0.00 C ATOM 699 CD1 LEU A 41 -0.524 0.369 2.829 1.00 0.00 C ATOM 700 CD2 LEU A 41 -0.525 -1.699 1.426 1.00 0.00 C ATOM 0 H LEU A 41 -0.730 2.670 1.106 1.00 0.00 H new ATOM 0 HA LEU A 41 1.910 1.661 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.716 0.670 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.762 -0.177 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 41 1.195 -0.577 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.576 -0.263 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.029 1.278 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.533 0.630 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.601 -2.279 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.524 -1.500 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.045 -2.263 0.687 1.00 0.00 H new ATOM 712 N LEU A 42 0.748 2.718 -1.740 1.00 0.00 N ATOM 713 CA LEU A 42 1.096 3.114 -3.100 1.00 0.00 C ATOM 714 C LEU A 42 2.201 4.183 -3.051 1.00 0.00 C ATOM 715 O LEU A 42 3.127 4.186 -3.868 1.00 0.00 O ATOM 716 CB LEU A 42 -0.192 3.614 -3.826 1.00 0.00 C ATOM 717 CG LEU A 42 -0.151 3.872 -5.358 1.00 0.00 C ATOM 718 CD1 LEU A 42 -1.569 4.005 -5.887 1.00 0.00 C ATOM 719 CD2 LEU A 42 0.616 5.142 -5.706 1.00 0.00 C ATOM 0 H LEU A 42 -0.212 2.942 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 42 1.488 2.270 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.978 2.883 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.499 4.543 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 42 0.361 3.026 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.541 4.186 -6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.119 3.085 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.065 4.839 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.618 5.281 -6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.137 5.998 -5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.642 5.056 -5.349 1.00 0.00 H new ATOM 731 N ASN A 43 2.127 5.037 -2.051 1.00 0.00 N ATOM 732 CA ASN A 43 3.083 6.118 -1.855 1.00 0.00 C ATOM 733 C ASN A 43 4.477 5.567 -1.538 1.00 0.00 C ATOM 734 O ASN A 43 5.500 6.180 -1.859 1.00 0.00 O ATOM 735 CB ASN A 43 2.596 7.053 -0.747 1.00 0.00 C ATOM 736 CG ASN A 43 3.394 8.328 -0.655 1.00 0.00 C ATOM 737 OD1 ASN A 43 4.382 8.419 0.080 1.00 0.00 O ATOM 738 ND2 ASN A 43 2.967 9.327 -1.384 1.00 0.00 N ATOM 0 H ASN A 43 1.395 5.003 -1.341 1.00 0.00 H new ATOM 0 HA ASN A 43 3.159 6.688 -2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.549 7.299 -0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.646 6.531 0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.455 10.222 -1.358 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.146 9.210 -1.978 1.00 0.00 H new ATOM 745 N LEU A 44 4.513 4.385 -0.958 1.00 0.00 N ATOM 746 CA LEU A 44 5.762 3.709 -0.650 1.00 0.00 C ATOM 747 C LEU A 44 6.464 3.283 -1.956 1.00 0.00 C ATOM 748 O LEU A 44 7.697 3.219 -2.030 1.00 0.00 O ATOM 749 CB LEU A 44 5.508 2.507 0.260 1.00 0.00 C ATOM 750 CG LEU A 44 4.816 2.803 1.604 1.00 0.00 C ATOM 751 CD1 LEU A 44 4.568 1.522 2.382 1.00 0.00 C ATOM 752 CD2 LEU A 44 5.635 3.775 2.439 1.00 0.00 C ATOM 0 H LEU A 44 3.679 3.864 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 44 6.419 4.396 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.900 1.786 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.464 2.026 0.466 1.00 0.00 H new ATOM 0 HG LEU A 44 3.854 3.265 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.079 1.759 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.929 0.860 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.519 1.027 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.123 3.966 3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.616 3.345 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.754 4.712 1.895 1.00 0.00 H new ATOM 764 N LEU A 45 5.669 2.976 -2.971 1.00 0.00 N ATOM 765 CA LEU A 45 6.189 2.667 -4.304 1.00 0.00 C ATOM 766 C LEU A 45 6.669 3.936 -5.001 1.00 0.00 C ATOM 767 O LEU A 45 7.626 3.910 -5.764 1.00 0.00 O ATOM 768 CB LEU A 45 5.170 1.916 -5.185 1.00 0.00 C ATOM 769 CG LEU A 45 4.955 0.412 -4.906 1.00 0.00 C ATOM 770 CD1 LEU A 45 4.419 0.154 -3.516 1.00 0.00 C ATOM 771 CD2 LEU A 45 4.031 -0.184 -5.944 1.00 0.00 C ATOM 0 H LEU A 45 4.652 2.933 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 45 7.036 1.996 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.207 2.417 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.480 2.024 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 45 5.930 -0.071 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.286 -0.918 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.124 0.535 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.460 0.658 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.887 -1.244 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.068 0.326 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.471 -0.064 -6.934 1.00 0.00 H new ATOM 783 N ILE A 46 5.994 5.048 -4.732 1.00 0.00 N ATOM 784 CA ILE A 46 6.384 6.365 -5.258 1.00 0.00 C ATOM 785 C ILE A 46 7.806 6.703 -4.778 1.00 0.00 C ATOM 786 O ILE A 46 8.642 7.225 -5.529 1.00 0.00 O ATOM 787 CB ILE A 46 5.365 7.449 -4.789 1.00 0.00 C ATOM 788 CG1 ILE A 46 3.985 7.155 -5.393 1.00 0.00 C ATOM 789 CG2 ILE A 46 5.821 8.858 -5.129 1.00 0.00 C ATOM 790 CD1 ILE A 46 2.913 8.148 -5.009 1.00 0.00 C ATOM 0 H ILE A 46 5.161 5.069 -4.144 1.00 0.00 H new ATOM 0 HA ILE A 46 6.377 6.343 -6.348 1.00 0.00 H new ATOM 0 HB ILE A 46 5.301 7.401 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.074 7.136 -6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.670 6.159 -5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.077 9.575 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.775 9.059 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.939 8.952 -6.209 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.971 7.866 -5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.792 8.152 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.202 9.144 -5.345 1.00 0.00 H new ATOM 802 N GLU A 47 8.068 6.314 -3.544 1.00 0.00 N ATOM 803 CA GLU A 47 9.357 6.456 -2.875 1.00 0.00 C ATOM 804 C GLU A 47 10.487 5.735 -3.664 1.00 0.00 C ATOM 805 O GLU A 47 11.657 6.126 -3.607 1.00 0.00 O ATOM 806 CB GLU A 47 9.238 5.835 -1.483 1.00 0.00 C ATOM 807 CG GLU A 47 10.486 5.916 -0.640 1.00 0.00 C ATOM 808 CD GLU A 47 10.429 5.027 0.567 1.00 0.00 C ATOM 809 OE1 GLU A 47 9.859 5.432 1.592 1.00 0.00 O ATOM 810 OE2 GLU A 47 10.951 3.891 0.496 1.00 0.00 O ATOM 0 H GLU A 47 7.364 5.872 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 47 9.614 7.514 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.425 6.328 -0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.959 4.787 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.348 5.642 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.637 6.947 -0.320 1.00 0.00 H new ATOM 817 N LEU A 48 10.126 4.673 -4.369 1.00 0.00 N ATOM 818 CA LEU A 48 11.083 3.842 -5.097 1.00 0.00 C ATOM 819 C LEU A 48 11.767 4.624 -6.223 1.00 0.00 C ATOM 820 O LEU A 48 12.968 4.464 -6.456 1.00 0.00 O ATOM 821 CB LEU A 48 10.365 2.544 -5.599 1.00 0.00 C ATOM 822 CG LEU A 48 11.154 1.473 -6.409 1.00 0.00 C ATOM 823 CD1 LEU A 48 11.376 1.881 -7.862 1.00 0.00 C ATOM 824 CD2 LEU A 48 12.475 1.131 -5.729 1.00 0.00 C ATOM 0 H LEU A 48 9.159 4.360 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 48 11.887 3.541 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.950 2.045 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.523 2.859 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 48 10.534 0.577 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.931 1.098 -8.379 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.412 2.026 -8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.944 2.811 -7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.004 0.381 -6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.088 2.029 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.280 0.738 -4.731 1.00 0.00 H new ATOM 836 N LYS A 49 11.030 5.508 -6.871 1.00 0.00 N ATOM 837 CA LYS A 49 11.574 6.264 -8.000 1.00 0.00 C ATOM 838 C LYS A 49 12.611 7.267 -7.554 1.00 0.00 C ATOM 839 O LYS A 49 13.570 7.514 -8.260 1.00 0.00 O ATOM 840 CB LYS A 49 10.487 6.974 -8.821 1.00 0.00 C ATOM 841 CG LYS A 49 9.637 6.074 -9.710 1.00 0.00 C ATOM 842 CD LYS A 49 8.712 5.152 -8.939 1.00 0.00 C ATOM 843 CE LYS A 49 7.886 4.313 -9.896 1.00 0.00 C ATOM 844 NZ LYS A 49 8.716 3.369 -10.696 1.00 0.00 N ATOM 0 H LYS A 49 10.060 5.724 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 49 12.050 5.525 -8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.827 7.504 -8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.965 7.727 -9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.041 6.696 -10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.295 5.472 -10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.296 4.503 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.054 5.739 -8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.144 3.749 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.339 4.971 -10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.097 2.774 -11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.361 3.908 -11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.270 2.765 -10.055 1.00 0.00 H new ATOM 858 N THR A 50 12.442 7.765 -6.347 1.00 0.00 N ATOM 859 CA THR A 50 13.284 8.793 -5.750 1.00 0.00 C ATOM 860 C THR A 50 14.778 8.365 -5.636 1.00 0.00 C ATOM 861 O THR A 50 15.673 9.201 -5.478 1.00 0.00 O ATOM 862 CB THR A 50 12.698 9.128 -4.379 1.00 0.00 C ATOM 863 OG1 THR A 50 11.283 9.327 -4.567 1.00 0.00 O ATOM 864 CG2 THR A 50 13.312 10.398 -3.793 1.00 0.00 C ATOM 0 H THR A 50 11.690 7.458 -5.730 1.00 0.00 H new ATOM 0 HA THR A 50 13.287 9.671 -6.396 1.00 0.00 H new ATOM 0 HB THR A 50 12.910 8.317 -3.683 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.119 9.679 -5.467 1.00 0.00 H new ATOM 0 HG21 THR A 50 12.868 10.601 -2.818 1.00 0.00 H new ATOM 0 HG22 THR A 50 14.388 10.264 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.119 11.237 -4.461 1.00 0.00 H new ATOM 872 N LYS A 51 15.038 7.068 -5.735 1.00 0.00 N ATOM 873 CA LYS A 51 16.404 6.560 -5.705 1.00 0.00 C ATOM 874 C LYS A 51 17.147 6.924 -6.991 1.00 0.00 C ATOM 875 O LYS A 51 18.375 6.907 -7.024 1.00 0.00 O ATOM 876 CB LYS A 51 16.453 5.028 -5.504 1.00 0.00 C ATOM 877 CG LYS A 51 16.187 4.517 -4.084 1.00 0.00 C ATOM 878 CD LYS A 51 14.786 4.796 -3.584 1.00 0.00 C ATOM 879 CE LYS A 51 14.613 4.264 -2.176 1.00 0.00 C ATOM 880 NZ LYS A 51 13.288 4.581 -1.626 1.00 0.00 N ATOM 0 H LYS A 51 14.322 6.349 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 51 16.893 7.031 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.723 4.572 -6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 51 17.436 4.674 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.365 3.442 -4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 51 16.903 4.976 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.594 5.869 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.057 4.331 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.756 3.183 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.384 4.687 -1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.399 5.098 -0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.763 5.170 -2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.763 3.700 -1.455 1.00 0.00 H new ATOM 894 N LYS A 52 16.369 7.204 -8.058 1.00 0.00 N ATOM 895 CA LYS A 52 16.819 7.577 -9.437 1.00 0.00 C ATOM 896 C LYS A 52 17.804 6.606 -10.120 1.00 0.00 C ATOM 897 O LYS A 52 18.113 6.748 -11.298 1.00 0.00 O ATOM 898 CB LYS A 52 17.238 9.050 -9.584 1.00 0.00 C ATOM 899 CG LYS A 52 18.404 9.501 -8.727 1.00 0.00 C ATOM 900 CD LYS A 52 18.742 10.965 -8.979 1.00 0.00 C ATOM 901 CE LYS A 52 17.581 11.891 -8.604 1.00 0.00 C ATOM 902 NZ LYS A 52 17.891 13.305 -8.876 1.00 0.00 N ATOM 0 H LYS A 52 15.352 7.177 -7.988 1.00 0.00 H new ATOM 0 HA LYS A 52 15.901 7.458 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.490 9.232 -10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.377 9.676 -9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.161 9.358 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.276 8.882 -8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.625 11.238 -8.402 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.992 11.104 -10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.691 11.601 -9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.347 11.768 -7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.079 13.896 -8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.724 13.590 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.089 13.428 -9.889 1.00 0.00 H new ATOM 916 N LYS A 53 18.297 5.640 -9.385 1.00 0.00 N ATOM 917 CA LYS A 53 19.087 4.560 -9.944 1.00 0.00 C ATOM 918 C LYS A 53 18.105 3.537 -10.523 1.00 0.00 C ATOM 919 O LYS A 53 18.472 2.556 -11.190 1.00 0.00 O ATOM 920 CB LYS A 53 19.946 3.942 -8.848 1.00 0.00 C ATOM 921 CG LYS A 53 19.142 3.232 -7.774 1.00 0.00 C ATOM 922 CD LYS A 53 20.016 2.725 -6.660 1.00 0.00 C ATOM 923 CE LYS A 53 19.190 2.000 -5.620 1.00 0.00 C ATOM 924 NZ LYS A 53 19.998 1.617 -4.456 1.00 0.00 N ATOM 0 H LYS A 53 18.163 5.576 -8.376 1.00 0.00 H new ATOM 0 HA LYS A 53 19.757 4.914 -10.727 1.00 0.00 H new ATOM 0 HB2 LYS A 53 20.641 3.233 -9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 53 20.546 4.725 -8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 53 18.396 3.915 -7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 53 18.600 2.397 -8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.774 2.053 -7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 53 20.543 3.559 -6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.368 2.639 -5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.746 1.109 -6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 19.399 1.123 -3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 20.768 0.987 -4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 20.401 2.470 -4.018 1.00 0.00 H new ATOM 938 N ARG A 54 16.851 3.783 -10.205 1.00 0.00 N ATOM 939 CA ARG A 54 15.732 3.092 -10.739 1.00 0.00 C ATOM 940 C ARG A 54 15.311 3.883 -11.903 1.00 0.00 C ATOM 941 O ARG A 54 14.894 5.035 -11.751 1.00 0.00 O ATOM 942 CB ARG A 54 14.603 3.004 -9.712 1.00 0.00 C ATOM 943 CG ARG A 54 14.948 2.181 -8.483 1.00 0.00 C ATOM 944 CD ARG A 54 15.296 0.767 -8.883 1.00 0.00 C ATOM 945 NE ARG A 54 15.533 -0.107 -7.743 1.00 0.00 N ATOM 946 CZ ARG A 54 15.916 -1.383 -7.847 1.00 0.00 C ATOM 947 NH1 ARG A 54 16.320 -1.864 -9.032 1.00 0.00 N ATOM 948 NH2 ARG A 54 15.946 -2.158 -6.763 1.00 0.00 N ATOM 0 H ARG A 54 16.589 4.506 -9.535 1.00 0.00 H new ATOM 0 HA ARG A 54 15.983 2.066 -11.010 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.333 4.012 -9.397 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.724 2.573 -10.190 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.788 2.635 -7.956 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.105 2.174 -7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.486 0.356 -9.486 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.186 0.782 -9.513 1.00 0.00 H new ATOM 0 HE ARG A 54 15.399 0.278 -6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.334 -1.256 -9.851 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.613 -2.838 -9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.677 -1.777 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.238 -3.132 -6.841 1.00 0.00 H new ATOM 962 N TYR A 55 15.447 3.318 -13.060 1.00 0.00 N ATOM 963 CA TYR A 55 15.211 4.045 -14.255 1.00 0.00 C ATOM 964 C TYR A 55 13.761 4.179 -14.584 1.00 0.00 C ATOM 965 O TYR A 55 13.199 3.443 -15.382 1.00 0.00 O ATOM 966 CB TYR A 55 16.054 3.549 -15.424 1.00 0.00 C ATOM 967 CG TYR A 55 17.528 3.751 -15.179 1.00 0.00 C ATOM 968 CD1 TYR A 55 18.134 4.965 -15.468 1.00 0.00 C ATOM 969 CD2 TYR A 55 18.308 2.741 -14.633 1.00 0.00 C ATOM 970 CE1 TYR A 55 19.473 5.168 -15.218 1.00 0.00 C ATOM 971 CE2 TYR A 55 19.648 2.936 -14.385 1.00 0.00 C ATOM 972 CZ TYR A 55 20.226 4.150 -14.679 1.00 0.00 C ATOM 973 OH TYR A 55 21.562 4.351 -14.419 1.00 0.00 O ATOM 0 H TYR A 55 15.723 2.346 -13.198 1.00 0.00 H new ATOM 0 HA TYR A 55 15.553 5.061 -14.058 1.00 0.00 H new ATOM 0 HB2 TYR A 55 15.855 2.490 -15.592 1.00 0.00 H new ATOM 0 HB3 TYR A 55 15.761 4.076 -16.332 1.00 0.00 H new ATOM 0 HD1 TYR A 55 17.546 5.764 -15.896 1.00 0.00 H new ATOM 0 HD2 TYR A 55 17.857 1.788 -14.399 1.00 0.00 H new ATOM 0 HE1 TYR A 55 19.929 6.120 -15.444 1.00 0.00 H new ATOM 0 HE2 TYR A 55 20.243 2.140 -13.962 1.00 0.00 H new ATOM 0 HH TYR A 55 21.948 3.534 -14.039 1.00 0.00 H new ATOM 983 N SER A 56 13.149 5.041 -13.851 1.00 0.00 N ATOM 984 CA SER A 56 11.811 5.484 -14.108 1.00 0.00 C ATOM 985 C SER A 56 11.853 6.928 -14.623 1.00 0.00 C ATOM 986 O SER A 56 10.830 7.555 -14.819 1.00 0.00 O ATOM 987 CB SER A 56 10.987 5.412 -12.826 1.00 0.00 C ATOM 988 OG SER A 56 10.977 4.086 -12.293 1.00 0.00 O ATOM 0 H SER A 56 13.572 5.474 -13.030 1.00 0.00 H new ATOM 0 HA SER A 56 11.349 4.842 -14.858 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.397 6.101 -12.087 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.965 5.733 -13.028 1.00 0.00 H new ATOM 0 HG SER A 56 10.574 3.475 -12.944 1.00 0.00 H new ATOM 994 N LEU A 57 13.062 7.423 -14.888 1.00 0.00 N ATOM 995 CA LEU A 57 13.274 8.819 -15.305 1.00 0.00 C ATOM 996 C LEU A 57 12.761 9.088 -16.719 1.00 0.00 C ATOM 997 O LEU A 57 12.459 10.234 -17.075 1.00 0.00 O ATOM 998 CB LEU A 57 14.756 9.256 -15.187 1.00 0.00 C ATOM 999 CG LEU A 57 15.369 9.361 -13.767 1.00 0.00 C ATOM 1000 CD1 LEU A 57 15.548 8.002 -13.116 1.00 0.00 C ATOM 1001 CD2 LEU A 57 16.692 10.110 -13.809 1.00 0.00 C ATOM 0 H LEU A 57 13.920 6.876 -14.822 1.00 0.00 H new ATOM 0 HA LEU A 57 12.689 9.421 -14.610 1.00 0.00 H new ATOM 0 HB2 LEU A 57 15.359 8.552 -15.761 1.00 0.00 H new ATOM 0 HB3 LEU A 57 14.857 10.229 -15.668 1.00 0.00 H new ATOM 0 HG LEU A 57 14.663 9.922 -13.154 1.00 0.00 H new ATOM 0 HD11 LEU A 57 15.980 8.128 -12.123 1.00 0.00 H new ATOM 0 HD12 LEU A 57 14.579 7.509 -13.030 1.00 0.00 H new ATOM 0 HD13 LEU A 57 16.213 7.391 -13.726 1.00 0.00 H new ATOM 0 HD21 LEU A 57 17.106 10.173 -12.803 1.00 0.00 H new ATOM 0 HD22 LEU A 57 17.390 9.579 -14.456 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.529 11.115 -14.198 1.00 0.00 H new ATOM 1013 N LEU A 58 12.667 8.051 -17.522 1.00 0.00 N ATOM 1014 CA LEU A 58 12.148 8.187 -18.880 1.00 0.00 C ATOM 1015 C LEU A 58 10.650 7.916 -18.878 1.00 0.00 C ATOM 1016 O LEU A 58 9.956 8.135 -19.875 1.00 0.00 O ATOM 1017 CB LEU A 58 12.853 7.243 -19.888 1.00 0.00 C ATOM 1018 CG LEU A 58 14.371 7.434 -20.149 1.00 0.00 C ATOM 1019 CD1 LEU A 58 14.695 8.857 -20.567 1.00 0.00 C ATOM 1020 CD2 LEU A 58 15.236 6.992 -18.966 1.00 0.00 C ATOM 0 H LEU A 58 12.941 7.102 -17.266 1.00 0.00 H new ATOM 0 HA LEU A 58 12.350 9.207 -19.206 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.703 6.220 -19.544 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.338 7.336 -20.844 1.00 0.00 H new ATOM 0 HG LEU A 58 14.621 6.777 -20.982 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.767 8.950 -20.740 1.00 0.00 H new ATOM 0 HD12 LEU A 58 14.157 9.098 -21.484 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.394 9.546 -19.778 1.00 0.00 H new ATOM 0 HD21 LEU A 58 16.288 7.149 -19.206 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.974 7.577 -18.085 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.063 5.935 -18.764 1.00 0.00 H new ATOM 1032 N GLU A 59 10.171 7.419 -17.761 1.00 0.00 N ATOM 1033 CA GLU A 59 8.763 7.159 -17.568 1.00 0.00 C ATOM 1034 C GLU A 59 8.124 8.384 -16.934 1.00 0.00 C ATOM 1035 O GLU A 59 7.516 9.225 -17.610 1.00 0.00 O ATOM 1036 CB GLU A 59 8.543 5.937 -16.650 1.00 0.00 C ATOM 1037 CG GLU A 59 9.209 4.654 -17.094 1.00 0.00 C ATOM 1038 CD GLU A 59 8.934 3.529 -16.126 1.00 0.00 C ATOM 1039 OE1 GLU A 59 9.618 3.423 -15.089 1.00 0.00 O ATOM 1040 OE2 GLU A 59 8.007 2.738 -16.366 1.00 0.00 O ATOM 0 H GLU A 59 10.751 7.182 -16.956 1.00 0.00 H new ATOM 0 HA GLU A 59 8.309 6.945 -18.536 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.904 6.186 -15.652 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.471 5.758 -16.565 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.849 4.379 -18.086 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.285 4.810 -17.177 1.00 0.00 H new ATOM 1047 N HIS A 60 8.365 8.502 -15.666 1.00 0.00 N ATOM 1048 CA HIS A 60 7.857 9.541 -14.805 1.00 0.00 C ATOM 1049 C HIS A 60 8.561 9.366 -13.466 1.00 0.00 C ATOM 1050 O HIS A 60 8.478 8.296 -12.850 1.00 0.00 O ATOM 1051 CB HIS A 60 6.324 9.412 -14.640 1.00 0.00 C ATOM 1052 CG HIS A 60 5.660 10.561 -13.922 1.00 0.00 C ATOM 1053 ND1 HIS A 60 5.331 10.709 -12.616 1.00 0.00 N flip ATOM 1054 CD2 HIS A 60 5.227 11.705 -14.551 1.00 0.00 C flip ATOM 1055 CE1 HIS A 60 4.696 11.941 -12.438 1.00 0.00 C flip ATOM 1056 NE2 HIS A 60 4.661 12.497 -13.642 1.00 0.00 N flip ATOM 0 H HIS A 60 8.957 7.838 -15.167 1.00 0.00 H new ATOM 0 HA HIS A 60 8.047 10.530 -15.223 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.875 9.313 -15.628 1.00 0.00 H new ATOM 0 HB3 HIS A 60 6.108 8.491 -14.098 1.00 0.00 H new ATOM 0 HD1 HIS A 60 5.517 10.029 -11.879 1.00 0.00 H new ATOM 0 HD2 HIS A 60 5.329 11.924 -15.604 1.00 0.00 H new ATOM 0 HE1 HIS A 60 4.314 12.353 -11.516 1.00 0.00 H new ATOM 1064 N HIS A 61 9.279 10.367 -13.050 1.00 0.00 N ATOM 1065 CA HIS A 61 10.053 10.299 -11.830 1.00 0.00 C ATOM 1066 C HIS A 61 9.223 10.879 -10.691 1.00 0.00 C ATOM 1067 O HIS A 61 8.370 11.733 -10.919 1.00 0.00 O ATOM 1068 CB HIS A 61 11.378 11.072 -12.013 1.00 0.00 C ATOM 1069 CG HIS A 61 12.336 10.979 -10.854 1.00 0.00 C ATOM 1070 ND1 HIS A 61 12.426 11.919 -9.855 1.00 0.00 N ATOM 1071 CD2 HIS A 61 13.258 10.036 -10.559 1.00 0.00 C ATOM 1072 CE1 HIS A 61 13.374 11.532 -9.007 1.00 0.00 C ATOM 1073 NE2 HIS A 61 13.914 10.392 -9.386 1.00 0.00 N ATOM 0 H HIS A 61 9.350 11.258 -13.542 1.00 0.00 H new ATOM 0 HA HIS A 61 10.300 9.265 -11.591 1.00 0.00 H new ATOM 0 HB2 HIS A 61 11.877 10.700 -12.908 1.00 0.00 H new ATOM 0 HB3 HIS A 61 11.147 12.122 -12.190 1.00 0.00 H new ATOM 0 HD1 HIS A 61 11.863 12.766 -9.778 1.00 0.00 H new ATOM 0 HD2 HIS A 61 13.454 9.148 -11.141 1.00 0.00 H new ATOM 0 HE1 HIS A 61 13.663 12.081 -8.123 1.00 0.00 H new ATOM 1081 N HIS A 62 9.451 10.413 -9.487 1.00 0.00 N ATOM 1082 CA HIS A 62 8.695 10.870 -8.343 1.00 0.00 C ATOM 1083 C HIS A 62 9.611 11.394 -7.265 1.00 0.00 C ATOM 1084 O HIS A 62 10.642 10.768 -6.962 1.00 0.00 O ATOM 1085 CB HIS A 62 7.803 9.772 -7.774 1.00 0.00 C ATOM 1086 CG HIS A 62 6.658 9.352 -8.654 1.00 0.00 C ATOM 1087 ND1 HIS A 62 5.397 9.900 -8.581 1.00 0.00 N ATOM 1088 CD2 HIS A 62 6.590 8.392 -9.609 1.00 0.00 C ATOM 1089 CE1 HIS A 62 4.622 9.277 -9.463 1.00 0.00 C ATOM 1090 NE2 HIS A 62 5.298 8.344 -10.121 1.00 0.00 N ATOM 0 H HIS A 62 10.160 9.712 -9.272 1.00 0.00 H new ATOM 0 HA HIS A 62 8.054 11.680 -8.691 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.419 8.897 -7.566 1.00 0.00 H new ATOM 0 HB3 HIS A 62 7.400 10.112 -6.820 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.410 7.763 -9.923 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.578 9.501 -9.623 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.945 7.723 -10.849 1.00 0.00 H new ATOM 1098 N HIS A 63 9.195 12.517 -6.665 1.00 0.00 N ATOM 1099 CA HIS A 63 9.953 13.262 -5.647 1.00 0.00 C ATOM 1100 C HIS A 63 11.185 13.903 -6.274 1.00 0.00 C ATOM 1101 O HIS A 63 12.194 13.236 -6.526 1.00 0.00 O ATOM 1102 CB HIS A 63 10.344 12.415 -4.417 1.00 0.00 C ATOM 1103 CG HIS A 63 9.201 11.832 -3.621 1.00 0.00 C ATOM 1104 ND1 HIS A 63 9.091 10.492 -3.331 1.00 0.00 N ATOM 1105 CD2 HIS A 63 8.156 12.433 -2.998 1.00 0.00 C ATOM 1106 CE1 HIS A 63 8.017 10.312 -2.565 1.00 0.00 C ATOM 1107 NE2 HIS A 63 7.406 11.460 -2.326 1.00 0.00 N ATOM 0 H HIS A 63 8.295 12.946 -6.880 1.00 0.00 H new ATOM 0 HA HIS A 63 9.285 14.037 -5.272 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.981 11.597 -4.753 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.945 13.034 -3.751 1.00 0.00 H new ATOM 0 HD1 HIS A 63 9.725 9.759 -3.649 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.938 13.491 -3.017 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.688 9.355 -2.189 1.00 0.00 H new ATOM 1115 N HIS A 64 11.078 15.184 -6.533 1.00 0.00 N ATOM 1116 CA HIS A 64 12.097 15.954 -7.206 1.00 0.00 C ATOM 1117 C HIS A 64 13.345 16.046 -6.359 1.00 0.00 C ATOM 1118 O HIS A 64 14.382 15.482 -6.744 1.00 0.00 O ATOM 1119 CB HIS A 64 11.566 17.350 -7.533 1.00 0.00 C ATOM 1120 CG HIS A 64 10.353 17.352 -8.416 1.00 0.00 C ATOM 1121 ND1 HIS A 64 9.059 17.393 -7.945 1.00 0.00 N ATOM 1122 CD2 HIS A 64 10.257 17.310 -9.761 1.00 0.00 C ATOM 1123 CE1 HIS A 64 8.234 17.374 -8.988 1.00 0.00 C ATOM 1124 NE2 HIS A 64 8.908 17.325 -10.125 1.00 0.00 N ATOM 1125 OXT HIS A 64 13.291 16.629 -5.273 1.00 0.00 O ATOM 0 H HIS A 64 10.259 15.734 -6.275 1.00 0.00 H new ATOM 0 HA HIS A 64 12.357 15.450 -8.137 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.325 17.863 -6.602 1.00 0.00 H new ATOM 0 HB3 HIS A 64 12.356 17.923 -8.018 1.00 0.00 H new ATOM 0 HD2 HIS A 64 11.090 17.271 -10.447 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.157 17.396 -8.916 1.00 0.00 H new ATOM 0 HE2 HIS A 64 8.524 17.303 -11.070 1.00 0.00 H new TER 1133 HIS A 64