USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=15 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 Single : A 1 MET CE :methyl 149:sc= -0.194 (180deg=-0.771) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.000303 (180deg=-0.172) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.101 (180deg=-0.532) USER MOD Single : A 7 LYS NZ :NH3+ 142:sc= -0.0607 (180deg=-0.493) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc=-0.00632 X(o=-0.0063,f=-0.034) USER MOD Single : A 10 MET CE :methyl -150:sc= -0.0963 (180deg=-0.714) USER MOD Single : A 12 LYS NZ :NH3+ 144:sc= -0.229 (180deg=-1.28!) USER MOD Single : A 15 ASN : amide:sc= 0.0139 X(o=0.014,f=-0.11) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.919 USER MOD Single : A 17 HIS : no HD1:sc= -0.865 K(o=-0.86,f=-0.22) USER MOD Single : A 20 ASN : amide:sc= -0.234 K(o=-0.23,f=-2.1!) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= -3.28! (180deg=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -102:sc= -0.138 (180deg=-0.966) USER MOD Single : B 1 MET N :NH3+ -166:sc=-0.00547 (180deg=-0.237) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -121:sc= -1.05 (180deg=-3.28!) USER MOD Single : B 8 MET CE :methyl -170:sc= -1.89! (180deg=-1.98!) USER MOD Single : B 9 GLN : amide:sc= 0.0866 X(o=0.087,f=0) USER MOD Single : B 10 MET CE :methyl -158:sc=-0.00666 (180deg=-0.274) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.00016) USER MOD Single : B 16 TYR OH : rot 30:sc= -1.48 USER MOD Single : B 17 HIS : no HD1:sc= -0.673 K(o=-0.67,f=-0.008) USER MOD Single : B 20 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.1!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ -166:sc= -0.0263 (180deg=-0.321) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.043 -11.155 17.097 1.00 0.00 N ATOM 2 CA MET A 1 8.763 -11.210 15.836 1.00 0.00 C ATOM 3 C MET A 1 8.068 -12.199 14.899 1.00 0.00 C ATOM 4 O MET A 1 7.970 -11.905 13.699 1.00 0.00 O ATOM 5 CB MET A 1 10.208 -11.655 16.066 1.00 0.00 C ATOM 6 CG MET A 1 11.162 -10.941 15.108 1.00 0.00 C ATOM 7 SD MET A 1 12.602 -11.994 14.765 1.00 0.00 S ATOM 8 CE MET A 1 11.809 -13.308 13.793 1.00 0.00 C ATOM 0 H1 MET A 1 8.383 -10.347 17.656 1.00 0.00 H new ATOM 0 H2 MET A 1 7.026 -11.044 16.911 1.00 0.00 H new ATOM 0 H3 MET A 1 8.204 -12.035 17.627 1.00 0.00 H new ATOM 0 HA MET A 1 8.769 -10.216 15.388 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.497 -11.445 17.096 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.287 -12.733 15.926 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.646 -10.703 14.178 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.488 -9.996 15.543 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.520 -13.705 13.069 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.485 -14.108 14.459 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.945 -12.901 13.267 1.00 0.00 H new ATOM 18 N ASP A 2 7.604 -13.333 15.455 1.00 0.00 N ATOM 19 CA ASP A 2 6.925 -14.352 14.676 1.00 0.00 C ATOM 20 C ASP A 2 5.792 -13.707 13.876 1.00 0.00 C ATOM 21 O ASP A 2 5.551 -14.139 12.739 1.00 0.00 O ATOM 22 CB ASP A 2 6.314 -15.423 15.581 1.00 0.00 C ATOM 23 CG ASP A 2 7.099 -15.712 16.862 1.00 0.00 C ATOM 24 OD1 ASP A 2 8.068 -16.487 16.856 1.00 0.00 O ATOM 25 OD2 ASP A 2 6.675 -15.096 17.912 1.00 0.00 O ATOM 0 H ASP A 2 7.694 -13.555 16.446 1.00 0.00 H new ATOM 0 HA ASP A 2 7.659 -14.814 14.015 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.305 -15.115 15.853 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.222 -16.348 15.012 1.00 0.00 H new ATOM 30 N ALA A 3 5.131 -12.699 14.474 1.00 0.00 N ATOM 31 CA ALA A 3 4.035 -12.002 13.822 1.00 0.00 C ATOM 32 C ALA A 3 4.588 -10.811 13.039 1.00 0.00 C ATOM 33 O ALA A 3 3.854 -10.259 12.207 1.00 0.00 O ATOM 34 CB ALA A 3 3.093 -11.421 14.878 1.00 0.00 C ATOM 0 H ALA A 3 5.346 -12.357 15.410 1.00 0.00 H new ATOM 0 HA ALA A 3 3.516 -12.707 13.172 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.272 -10.899 14.386 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.693 -12.228 15.492 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.641 -10.722 15.509 1.00 0.00 H new ATOM 40 N ILE A 4 5.852 -10.443 13.315 1.00 0.00 N ATOM 41 CA ILE A 4 6.495 -9.328 12.641 1.00 0.00 C ATOM 42 C ILE A 4 6.928 -9.766 11.240 1.00 0.00 C ATOM 43 O ILE A 4 6.676 -9.017 10.284 1.00 0.00 O ATOM 44 CB ILE A 4 7.638 -8.774 13.493 1.00 0.00 C ATOM 45 CG1 ILE A 4 7.115 -8.227 14.824 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.441 -7.726 12.719 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.692 -6.839 15.110 1.00 0.00 C ATOM 0 H ILE A 4 6.440 -10.911 14.004 1.00 0.00 H new ATOM 0 HA ILE A 4 5.794 -8.503 12.515 1.00 0.00 H new ATOM 0 HB ILE A 4 8.318 -9.593 13.726 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.027 -8.174 14.797 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.381 -8.909 15.632 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.247 -7.348 13.348 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.862 -8.180 11.822 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.786 -6.902 12.435 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.305 -6.473 16.061 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.779 -6.900 15.160 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.404 -6.154 14.313 1.00 0.00 H new ATOM 59 N LYS A 5 7.561 -10.948 11.147 1.00 0.00 N ATOM 60 CA LYS A 5 8.024 -11.477 9.876 1.00 0.00 C ATOM 61 C LYS A 5 6.849 -11.538 8.897 1.00 0.00 C ATOM 62 O LYS A 5 7.071 -11.321 7.696 1.00 0.00 O ATOM 63 CB LYS A 5 8.725 -12.821 10.078 1.00 0.00 C ATOM 64 CG LYS A 5 8.212 -13.526 11.334 1.00 0.00 C ATOM 65 CD LYS A 5 8.213 -15.045 11.152 1.00 0.00 C ATOM 66 CE LYS A 5 9.513 -15.659 11.675 1.00 0.00 C ATOM 67 NZ LYS A 5 9.944 -16.769 10.811 1.00 0.00 N ATOM 0 H LYS A 5 7.759 -11.549 11.947 1.00 0.00 H new ATOM 0 HA LYS A 5 8.772 -10.816 9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.559 -13.456 9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.801 -12.665 10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.837 -13.258 12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.202 -13.184 11.560 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.364 -15.479 11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.090 -15.288 10.097 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.292 -14.897 11.714 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.368 -16.019 12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.828 -17.174 11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.207 -17.503 10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.102 -16.416 9.846 1.00 0.00 H new ATOM 81 N LYS A 6 5.644 -11.827 9.418 1.00 0.00 N ATOM 82 CA LYS A 6 4.450 -11.915 8.596 1.00 0.00 C ATOM 83 C LYS A 6 3.838 -10.520 8.441 1.00 0.00 C ATOM 84 O LYS A 6 3.232 -10.255 7.392 1.00 0.00 O ATOM 85 CB LYS A 6 3.480 -12.951 9.168 1.00 0.00 C ATOM 86 CG LYS A 6 4.233 -14.175 9.693 1.00 0.00 C ATOM 87 CD LYS A 6 4.984 -14.884 8.564 1.00 0.00 C ATOM 88 CE LYS A 6 4.011 -15.570 7.605 1.00 0.00 C ATOM 89 NZ LYS A 6 3.252 -16.621 8.305 1.00 0.00 N ATOM 0 H LYS A 6 5.483 -12.002 10.410 1.00 0.00 H new ATOM 0 HA LYS A 6 4.702 -12.266 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.898 -12.504 9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.773 -13.257 8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.937 -13.869 10.467 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.530 -14.867 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.591 -14.163 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.667 -15.622 8.984 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.324 -14.834 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.560 -16.005 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.861 -17.288 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.883 -17.130 8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.475 -16.188 8.844 1.00 0.00 H new ATOM 103 N LYS A 7 4.006 -9.672 9.470 1.00 0.00 N ATOM 104 CA LYS A 7 3.474 -8.320 9.449 1.00 0.00 C ATOM 105 C LYS A 7 3.942 -7.614 8.174 1.00 0.00 C ATOM 106 O LYS A 7 3.089 -7.077 7.451 1.00 0.00 O ATOM 107 CB LYS A 7 3.845 -7.578 10.734 1.00 0.00 C ATOM 108 CG LYS A 7 3.365 -6.126 10.686 1.00 0.00 C ATOM 109 CD LYS A 7 1.925 -6.039 10.177 1.00 0.00 C ATOM 110 CE LYS A 7 0.973 -6.814 11.091 1.00 0.00 C ATOM 111 NZ LYS A 7 1.077 -6.324 12.476 1.00 0.00 N ATOM 0 H LYS A 7 4.509 -9.910 10.324 1.00 0.00 H new ATOM 0 HA LYS A 7 2.384 -8.339 9.423 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.401 -8.084 11.591 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.926 -7.603 10.874 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.430 -5.685 11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.019 -5.545 10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.616 -4.995 10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.869 -6.438 9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.052 -6.704 10.736 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.210 -7.877 11.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.134 -6.318 12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.707 -6.949 13.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.464 -5.359 12.475 1.00 0.00 H new ATOM 125 N MET A 8 5.264 -7.626 7.929 1.00 0.00 N ATOM 126 CA MET A 8 5.834 -6.992 6.754 1.00 0.00 C ATOM 127 C MET A 8 5.393 -7.753 5.502 1.00 0.00 C ATOM 128 O MET A 8 5.309 -7.132 4.432 1.00 0.00 O ATOM 129 CB MET A 8 7.362 -6.990 6.838 1.00 0.00 C ATOM 130 CG MET A 8 7.904 -8.411 7.006 1.00 0.00 C ATOM 131 SD MET A 8 9.697 -8.363 7.293 1.00 0.00 S ATOM 132 CE MET A 8 10.209 -9.817 6.331 1.00 0.00 C ATOM 0 H MET A 8 5.950 -8.072 8.538 1.00 0.00 H new ATOM 0 HA MET A 8 5.483 -5.961 6.703 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.779 -6.542 5.936 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.683 -6.373 7.677 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.407 -8.902 7.842 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.686 -9.000 6.115 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.290 -9.936 6.399 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.720 -10.707 6.728 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.924 -9.682 5.288 1.00 0.00 H new ATOM 142 N GLN A 9 5.124 -9.062 5.658 1.00 0.00 N ATOM 143 CA GLN A 9 4.696 -9.897 4.548 1.00 0.00 C ATOM 144 C GLN A 9 3.230 -9.597 4.226 1.00 0.00 C ATOM 145 O GLN A 9 2.825 -9.812 3.075 1.00 0.00 O ATOM 146 CB GLN A 9 4.898 -11.382 4.854 1.00 0.00 C ATOM 147 CG GLN A 9 6.354 -11.796 4.628 1.00 0.00 C ATOM 148 CD GLN A 9 6.447 -13.261 4.197 1.00 0.00 C ATOM 149 OE1 GLN A 9 5.951 -13.662 3.156 1.00 0.00 O ATOM 150 NE2 GLN A 9 7.109 -14.035 5.051 1.00 0.00 N ATOM 0 H GLN A 9 5.199 -9.554 6.548 1.00 0.00 H new ATOM 0 HA GLN A 9 5.310 -9.666 3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.614 -11.586 5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.244 -11.980 4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.802 -11.160 3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.925 -11.646 5.544 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.499 -13.635 5.904 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.227 -15.029 4.853 1.00 0.00 H new ATOM 159 N MET A 10 2.479 -9.116 5.233 1.00 0.00 N ATOM 160 CA MET A 10 1.073 -8.792 5.057 1.00 0.00 C ATOM 161 C MET A 10 0.950 -7.411 4.410 1.00 0.00 C ATOM 162 O MET A 10 0.103 -7.251 3.520 1.00 0.00 O ATOM 163 CB MET A 10 0.354 -8.790 6.407 1.00 0.00 C ATOM 164 CG MET A 10 0.595 -10.102 7.158 1.00 0.00 C ATOM 165 SD MET A 10 -0.990 -10.931 7.484 1.00 0.00 S ATOM 166 CE MET A 10 -1.808 -9.663 8.495 1.00 0.00 C ATOM 0 H MET A 10 2.833 -8.947 6.174 1.00 0.00 H new ATOM 0 HA MET A 10 0.613 -9.544 4.416 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.705 -7.952 7.009 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.715 -8.646 6.253 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.242 -10.754 6.570 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.111 -9.904 8.097 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.491 -10.142 9.197 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.057 -9.098 9.048 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.367 -8.987 7.848 1.00 0.00 H new ATOM 176 N LEU A 11 1.783 -6.458 4.864 1.00 0.00 N ATOM 177 CA LEU A 11 1.767 -5.105 4.333 1.00 0.00 C ATOM 178 C LEU A 11 2.500 -5.080 2.991 1.00 0.00 C ATOM 179 O LEU A 11 2.206 -4.193 2.175 1.00 0.00 O ATOM 180 CB LEU A 11 2.330 -4.120 5.359 1.00 0.00 C ATOM 181 CG LEU A 11 1.583 -4.040 6.692 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.282 -3.079 7.656 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.115 -3.670 6.477 1.00 0.00 C ATOM 0 H LEU A 11 2.473 -6.611 5.599 1.00 0.00 H new ATOM 0 HA LEU A 11 0.743 -4.782 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.366 -4.390 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.341 -3.126 4.911 1.00 0.00 H new ATOM 0 HG LEU A 11 1.601 -5.028 7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.730 -3.041 8.595 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.297 -3.428 7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.317 -2.083 7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.392 -3.620 7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.053 -2.700 5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.363 -4.426 5.854 1.00 0.00 H new ATOM 195 N LYS A 12 3.423 -6.036 2.791 1.00 0.00 N ATOM 196 CA LYS A 12 4.189 -6.122 1.559 1.00 0.00 C ATOM 197 C LYS A 12 3.306 -6.707 0.454 1.00 0.00 C ATOM 198 O LYS A 12 3.496 -6.333 -0.712 1.00 0.00 O ATOM 199 CB LYS A 12 5.486 -6.902 1.787 1.00 0.00 C ATOM 200 CG LYS A 12 6.067 -7.399 0.462 1.00 0.00 C ATOM 201 CD LYS A 12 5.509 -8.777 0.101 1.00 0.00 C ATOM 202 CE LYS A 12 6.615 -9.700 -0.414 1.00 0.00 C ATOM 203 NZ LYS A 12 7.690 -9.823 0.585 1.00 0.00 N ATOM 0 H LYS A 12 3.649 -6.757 3.476 1.00 0.00 H new ATOM 0 HA LYS A 12 4.495 -5.129 1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.213 -6.266 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.294 -7.750 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.833 -6.689 -0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.153 -7.450 0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.037 -9.223 0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.735 -8.672 -0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.202 -10.684 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.020 -9.307 -1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.070 -10.791 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.450 -9.149 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.310 -9.617 1.531 1.00 0.00 H new ATOM 217 N LEU A 13 2.375 -7.598 0.837 1.00 0.00 N ATOM 218 CA LEU A 13 1.473 -8.226 -0.114 1.00 0.00 C ATOM 219 C LEU A 13 0.378 -7.232 -0.505 1.00 0.00 C ATOM 220 O LEU A 13 0.057 -7.149 -1.700 1.00 0.00 O ATOM 221 CB LEU A 13 0.935 -9.544 0.448 1.00 0.00 C ATOM 222 CG LEU A 13 0.495 -10.583 -0.585 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.463 -11.602 0.036 1.00 0.00 C ATOM 224 CD2 LEU A 13 -0.106 -9.910 -1.820 1.00 0.00 C ATOM 0 H LEU A 13 2.236 -7.893 1.804 1.00 0.00 H new ATOM 0 HA LEU A 13 2.006 -8.489 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.706 -9.990 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.086 -9.321 1.094 1.00 0.00 H new ATOM 0 HG LEU A 13 1.378 -11.130 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.760 -12.329 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.035 -12.116 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.347 -11.088 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.410 -10.672 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.975 -9.320 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.638 -9.257 -2.277 1.00 0.00 H new ATOM 236 N ASP A 14 -0.164 -6.509 0.492 1.00 0.00 N ATOM 237 CA ASP A 14 -1.211 -5.532 0.253 1.00 0.00 C ATOM 238 C ASP A 14 -0.646 -4.377 -0.577 1.00 0.00 C ATOM 239 O ASP A 14 -1.407 -3.781 -1.352 1.00 0.00 O ATOM 240 CB ASP A 14 -1.737 -4.956 1.569 1.00 0.00 C ATOM 241 CG ASP A 14 -3.256 -4.789 1.641 1.00 0.00 C ATOM 242 OD1 ASP A 14 -3.937 -5.777 1.165 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.764 -3.767 2.127 1.00 0.00 O ATOM 0 H ASP A 14 0.115 -6.593 1.469 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.025 -6.032 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.419 -5.605 2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.272 -3.984 1.735 1.00 0.00 H new ATOM 248 N ASN A 15 0.656 -4.090 -0.401 1.00 0.00 N ATOM 249 CA ASN A 15 1.313 -3.018 -1.128 1.00 0.00 C ATOM 250 C ASN A 15 1.268 -3.321 -2.626 1.00 0.00 C ATOM 251 O ASN A 15 0.868 -2.434 -3.395 1.00 0.00 O ATOM 252 CB ASN A 15 2.781 -2.891 -0.715 1.00 0.00 C ATOM 253 CG ASN A 15 3.339 -1.516 -1.085 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.839 -1.293 -2.176 1.00 0.00 O ATOM 255 ND2 ASN A 15 3.225 -0.609 -0.119 1.00 0.00 N ATOM 0 H ASN A 15 1.266 -4.594 0.243 1.00 0.00 H new ATOM 0 HA ASN A 15 0.792 -2.088 -0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.875 -3.048 0.360 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.368 -3.669 -1.203 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.567 0.340 -0.268 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.796 -0.863 0.771 1.00 0.00 H new ATOM 262 N TYR A 16 1.671 -4.546 -3.005 1.00 0.00 N ATOM 263 CA TYR A 16 1.657 -4.895 -4.416 1.00 0.00 C ATOM 264 C TYR A 16 0.226 -4.793 -4.946 1.00 0.00 C ATOM 265 O TYR A 16 0.061 -4.371 -6.101 1.00 0.00 O ATOM 266 CB TYR A 16 2.244 -6.304 -4.619 1.00 0.00 C ATOM 267 CG TYR A 16 3.597 -6.525 -3.956 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.481 -5.438 -3.775 1.00 0.00 C ATOM 269 CD2 TYR A 16 3.975 -7.814 -3.515 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.735 -5.637 -3.160 1.00 0.00 C ATOM 271 CE2 TYR A 16 5.229 -8.014 -2.899 1.00 0.00 C ATOM 272 CZ TYR A 16 6.111 -6.926 -2.721 1.00 0.00 C ATOM 273 OH TYR A 16 7.326 -7.114 -2.127 1.00 0.00 O ATOM 0 H TYR A 16 1.997 -5.278 -2.374 1.00 0.00 H new ATOM 0 HA TYR A 16 2.280 -4.200 -4.979 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.538 -7.038 -4.229 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.342 -6.493 -5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.196 -4.451 -4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.302 -8.648 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.408 -4.803 -3.025 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.514 -9.000 -2.563 1.00 0.00 H new ATOM 0 HH TYR A 16 7.592 -6.295 -1.660 1.00 0.00 H new ATOM 283 N HIS A 17 -0.762 -5.180 -4.119 1.00 0.00 N ATOM 284 CA HIS A 17 -2.159 -5.137 -4.515 1.00 0.00 C ATOM 285 C HIS A 17 -2.621 -3.680 -4.585 1.00 0.00 C ATOM 286 O HIS A 17 -3.457 -3.367 -5.446 1.00 0.00 O ATOM 287 CB HIS A 17 -3.020 -5.987 -3.578 1.00 0.00 C ATOM 288 CG HIS A 17 -4.197 -5.249 -2.987 1.00 0.00 C ATOM 289 ND1 HIS A 17 -5.395 -5.089 -3.661 1.00 0.00 N ATOM 290 CD2 HIS A 17 -4.348 -4.632 -1.781 1.00 0.00 C ATOM 291 CE1 HIS A 17 -6.222 -4.403 -2.886 1.00 0.00 C ATOM 292 NE2 HIS A 17 -5.571 -4.121 -1.721 1.00 0.00 N ATOM 0 H HIS A 17 -0.606 -5.525 -3.172 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.274 -5.572 -5.508 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.387 -6.855 -4.126 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.395 -6.362 -2.767 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.599 -4.570 -1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.234 -4.117 -3.133 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.960 -3.603 -0.933 1.00 0.00 H new ATOM 300 N LEU A 18 -2.077 -2.832 -3.694 1.00 0.00 N ATOM 301 CA LEU A 18 -2.430 -1.424 -3.656 1.00 0.00 C ATOM 302 C LEU A 18 -1.716 -0.692 -4.794 1.00 0.00 C ATOM 303 O LEU A 18 -2.367 0.108 -5.481 1.00 0.00 O ATOM 304 CB LEU A 18 -2.145 -0.837 -2.272 1.00 0.00 C ATOM 305 CG LEU A 18 -3.069 -1.299 -1.144 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.412 -1.093 0.222 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.432 -0.611 -1.234 1.00 0.00 C ATOM 0 H LEU A 18 -1.390 -3.110 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.500 -1.296 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.119 -1.084 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.204 0.249 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.241 -2.369 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.090 -1.430 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.487 -1.667 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.190 -0.035 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.069 -0.958 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.301 0.468 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.899 -0.853 -2.189 1.00 0.00 H new ATOM 319 N GLU A 19 -0.413 -0.975 -4.967 1.00 0.00 N ATOM 320 CA GLU A 19 0.380 -0.348 -6.012 1.00 0.00 C ATOM 321 C GLU A 19 -0.171 -0.758 -7.379 1.00 0.00 C ATOM 322 O GLU A 19 -0.180 0.085 -8.288 1.00 0.00 O ATOM 323 CB GLU A 19 1.861 -0.709 -5.886 1.00 0.00 C ATOM 324 CG GLU A 19 2.740 0.538 -5.992 1.00 0.00 C ATOM 325 CD GLU A 19 2.719 1.337 -4.687 1.00 0.00 C ATOM 326 OE1 GLU A 19 2.372 0.664 -3.642 1.00 0.00 O ATOM 327 OE2 GLU A 19 3.019 2.539 -4.690 1.00 0.00 O ATOM 0 H GLU A 19 0.105 -1.637 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 19 0.307 0.734 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.039 -1.203 -4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.134 -1.418 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.764 0.247 -6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.390 1.165 -6.812 1.00 0.00 H new ATOM 334 N ASN A 20 -0.613 -2.023 -7.495 1.00 0.00 N ATOM 335 CA ASN A 20 -1.159 -2.537 -8.741 1.00 0.00 C ATOM 336 C ASN A 20 -2.500 -1.855 -9.023 1.00 0.00 C ATOM 337 O ASN A 20 -2.859 -1.727 -10.203 1.00 0.00 O ATOM 338 CB ASN A 20 -1.404 -4.044 -8.655 1.00 0.00 C ATOM 339 CG ASN A 20 -0.180 -4.826 -9.135 1.00 0.00 C ATOM 340 OD1 ASN A 20 0.643 -4.338 -9.893 1.00 0.00 O ATOM 341 ND2 ASN A 20 -0.106 -6.064 -8.654 1.00 0.00 N ATOM 0 H ASN A 20 -0.598 -2.701 -6.733 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.440 -2.334 -9.534 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.636 -4.320 -7.626 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.271 -4.310 -9.260 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.674 -6.667 -8.916 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.829 -6.410 -8.023 1.00 0.00 H new ATOM 348 N GLU A 21 -3.201 -1.439 -7.953 1.00 0.00 N ATOM 349 CA GLU A 21 -4.489 -0.778 -8.086 1.00 0.00 C ATOM 350 C GLU A 21 -4.267 0.711 -8.360 1.00 0.00 C ATOM 351 O GLU A 21 -5.014 1.279 -9.169 1.00 0.00 O ATOM 352 CB GLU A 21 -5.357 -0.984 -6.843 1.00 0.00 C ATOM 353 CG GLU A 21 -6.819 -1.214 -7.227 1.00 0.00 C ATOM 354 CD GLU A 21 -7.508 -2.146 -6.228 1.00 0.00 C ATOM 355 OE1 GLU A 21 -7.059 -2.081 -5.022 1.00 0.00 O ATOM 356 OE2 GLU A 21 -8.425 -2.890 -6.607 1.00 0.00 O ATOM 0 H GLU A 21 -2.887 -1.554 -6.989 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.025 -1.222 -8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.988 -1.838 -6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.281 -0.112 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.344 -0.260 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.873 -1.644 -8.227 1.00 0.00 H new ATOM 363 N VAL A 22 -3.262 1.303 -7.691 1.00 0.00 N ATOM 364 CA VAL A 22 -2.947 2.711 -7.861 1.00 0.00 C ATOM 365 C VAL A 22 -2.206 2.907 -9.186 1.00 0.00 C ATOM 366 O VAL A 22 -2.474 3.906 -9.870 1.00 0.00 O ATOM 367 CB VAL A 22 -2.158 3.222 -6.654 1.00 0.00 C ATOM 368 CG1 VAL A 22 -1.535 4.589 -6.944 1.00 0.00 C ATOM 369 CG2 VAL A 22 -3.042 3.275 -5.406 1.00 0.00 C ATOM 0 H VAL A 22 -2.659 0.816 -7.028 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.861 3.303 -7.908 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.347 2.520 -6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.980 4.929 -6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.858 4.507 -7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.323 5.306 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.458 3.641 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.883 3.945 -5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.416 2.276 -5.182 1.00 0.00 H new ATOM 379 N ALA A 23 -1.303 1.967 -9.516 1.00 0.00 N ATOM 380 CA ALA A 23 -0.533 2.036 -10.745 1.00 0.00 C ATOM 381 C ALA A 23 -1.473 1.864 -11.941 1.00 0.00 C ATOM 382 O ALA A 23 -1.116 2.312 -13.040 1.00 0.00 O ATOM 383 CB ALA A 23 0.453 0.866 -10.803 1.00 0.00 C ATOM 0 H ALA A 23 -1.097 1.152 -8.938 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.014 2.994 -10.773 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.029 0.921 -11.727 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.129 0.918 -9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.097 -0.075 -10.774 1.00 0.00 H new ATOM 389 N ARG A 24 -2.635 1.229 -11.707 1.00 0.00 N ATOM 390 CA ARG A 24 -3.613 1.001 -12.757 1.00 0.00 C ATOM 391 C ARG A 24 -4.580 2.186 -12.812 1.00 0.00 C ATOM 392 O ARG A 24 -5.119 2.458 -13.894 1.00 0.00 O ATOM 393 CB ARG A 24 -4.407 -0.285 -12.519 1.00 0.00 C ATOM 394 CG ARG A 24 -3.704 -1.487 -13.153 1.00 0.00 C ATOM 395 CD ARG A 24 -4.228 -2.800 -12.568 1.00 0.00 C ATOM 396 NE ARG A 24 -3.203 -3.860 -12.703 1.00 0.00 N ATOM 397 CZ ARG A 24 -3.110 -4.690 -13.763 1.00 0.00 C ATOM 398 NH1 ARG A 24 -3.990 -4.566 -14.766 1.00 0.00 N ATOM 399 NH2 ARG A 24 -2.151 -5.627 -13.810 1.00 0.00 N ATOM 0 H ARG A 24 -2.910 0.868 -10.793 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.078 0.899 -13.701 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.525 -0.451 -11.448 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.408 -0.182 -12.938 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.861 -1.477 -14.232 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.629 -1.414 -12.986 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.485 -2.663 -11.518 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.141 -3.098 -13.083 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.526 -3.970 -11.948 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.717 -3.852 -14.721 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.933 -5.186 -15.574 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.486 -5.715 -13.041 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.087 -6.251 -14.614 1.00 0.00 H new ATOM 413 N LEU A 25 -4.778 2.856 -11.662 1.00 0.00 N ATOM 414 CA LEU A 25 -5.671 3.999 -11.580 1.00 0.00 C ATOM 415 C LEU A 25 -4.916 5.262 -11.999 1.00 0.00 C ATOM 416 O LEU A 25 -5.526 6.128 -12.643 1.00 0.00 O ATOM 417 CB LEU A 25 -6.299 4.091 -10.188 1.00 0.00 C ATOM 418 CG LEU A 25 -7.380 3.057 -9.870 1.00 0.00 C ATOM 419 CD1 LEU A 25 -7.779 3.116 -8.394 1.00 0.00 C ATOM 420 CD2 LEU A 25 -8.587 3.224 -10.797 1.00 0.00 C ATOM 0 H LEU A 25 -4.324 2.615 -10.781 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.504 3.881 -12.272 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.506 3.998 -9.446 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.730 5.085 -10.071 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.968 2.065 -10.052 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.549 2.371 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.907 2.911 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.166 4.108 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.341 2.477 -10.550 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.008 4.221 -10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.272 3.093 -11.832 1.00 0.00 H new ATOM 432 N LYS A 26 -3.625 5.341 -11.631 1.00 0.00 N ATOM 433 CA LYS A 26 -2.797 6.488 -11.965 1.00 0.00 C ATOM 434 C LYS A 26 -2.764 6.661 -13.485 1.00 0.00 C ATOM 435 O LYS A 26 -2.570 7.795 -13.946 1.00 0.00 O ATOM 436 CB LYS A 26 -1.412 6.353 -11.330 1.00 0.00 C ATOM 437 CG LYS A 26 -1.263 7.293 -10.133 1.00 0.00 C ATOM 438 CD LYS A 26 -2.534 7.299 -9.280 1.00 0.00 C ATOM 439 CE LYS A 26 -3.374 8.547 -9.556 1.00 0.00 C ATOM 440 NZ LYS A 26 -3.553 9.331 -8.324 1.00 0.00 N ATOM 0 H LYS A 26 -3.142 4.616 -11.101 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.224 7.401 -11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.254 5.323 -11.010 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.645 6.578 -12.071 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.414 6.982 -9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.051 8.303 -10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.122 6.406 -9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.267 7.262 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.888 9.159 -10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.346 8.257 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.831 10.303 -8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.295 8.895 -7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.660 9.350 -7.792 1.00 0.00 H new ATOM 454 N LYS A 27 -2.948 5.550 -14.222 1.00 0.00 N ATOM 455 CA LYS A 27 -2.938 5.578 -15.674 1.00 0.00 C ATOM 456 C LYS A 27 -4.292 6.081 -16.180 1.00 0.00 C ATOM 457 O LYS A 27 -4.400 6.381 -17.378 1.00 0.00 O ATOM 458 CB LYS A 27 -2.541 4.211 -16.235 1.00 0.00 C ATOM 459 CG LYS A 27 -1.538 4.359 -17.380 1.00 0.00 C ATOM 460 CD LYS A 27 -1.260 3.008 -18.043 1.00 0.00 C ATOM 461 CE LYS A 27 -2.539 2.412 -18.633 1.00 0.00 C ATOM 462 NZ LYS A 27 -2.251 1.728 -19.904 1.00 0.00 N ATOM 0 H LYS A 27 -3.105 4.625 -13.822 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.183 6.276 -16.035 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.107 3.601 -15.443 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.429 3.688 -16.590 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.926 5.058 -18.120 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.607 4.780 -17.001 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.516 3.132 -18.830 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.838 2.320 -17.311 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.979 1.708 -17.926 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.273 3.201 -18.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.130 1.329 -20.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.852 2.408 -20.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.567 0.962 -19.739 1.00 0.00 H new ATOM 476 N LEU A 28 -5.281 6.161 -15.272 1.00 0.00 N ATOM 477 CA LEU A 28 -6.613 6.622 -15.624 1.00 0.00 C ATOM 478 C LEU A 28 -6.833 8.021 -15.044 1.00 0.00 C ATOM 479 O LEU A 28 -7.523 8.826 -15.689 1.00 0.00 O ATOM 480 CB LEU A 28 -7.666 5.603 -15.186 1.00 0.00 C ATOM 481 CG LEU A 28 -8.694 5.202 -16.247 1.00 0.00 C ATOM 482 CD1 LEU A 28 -8.196 4.013 -17.070 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.059 4.931 -15.614 1.00 0.00 C ATOM 0 H LEU A 28 -5.171 5.909 -14.290 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.714 6.705 -16.706 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.153 4.703 -14.847 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.200 6.008 -14.326 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.820 6.039 -16.934 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.945 3.748 -17.817 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.265 4.281 -17.569 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.023 3.162 -16.412 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.770 4.648 -16.390 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.970 4.121 -14.890 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.411 5.831 -15.110 1.00 0.00 H new ATOM 495 N VAL A 29 -6.255 8.280 -13.858 1.00 0.00 N ATOM 496 CA VAL A 29 -6.387 9.569 -13.200 1.00 0.00 C ATOM 497 C VAL A 29 -5.039 10.293 -13.231 1.00 0.00 C ATOM 498 O VAL A 29 -4.958 11.360 -13.857 1.00 0.00 O ATOM 499 CB VAL A 29 -6.931 9.380 -11.784 1.00 0.00 C ATOM 500 CG1 VAL A 29 -7.400 10.712 -11.195 1.00 0.00 C ATOM 501 CG2 VAL A 29 -8.058 8.344 -11.763 1.00 0.00 C ATOM 0 H VAL A 29 -5.692 7.603 -13.343 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.105 10.196 -13.729 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.119 9.005 -11.160 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.782 10.550 -10.187 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.562 11.408 -11.157 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.190 11.128 -11.820 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.427 8.229 -10.744 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.871 8.678 -12.408 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.679 7.387 -12.122 1.00 0.00 H new ATOM 511 N GLY A 30 -4.026 9.708 -12.568 1.00 0.00 N ATOM 512 CA GLY A 30 -2.697 10.294 -12.519 1.00 0.00 C ATOM 513 C GLY A 30 -2.218 10.578 -13.945 1.00 0.00 C ATOM 514 O GLY A 30 -1.174 11.228 -14.097 1.00 0.00 O ATOM 0 H GLY A 30 -4.114 8.827 -12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.715 11.216 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.006 9.616 -12.019 1.00 0.00 H new ATOM 518 N GLU A 31 -2.979 10.096 -14.943 1.00 0.00 N ATOM 519 CA GLU A 31 -2.635 10.298 -16.341 1.00 0.00 C ATOM 520 C GLU A 31 -2.556 11.799 -16.629 1.00 0.00 C ATOM 521 O GLU A 31 -3.181 12.575 -15.894 1.00 0.00 O ATOM 522 CB GLU A 31 -3.637 9.612 -17.271 1.00 0.00 C ATOM 523 CG GLU A 31 -2.918 8.816 -18.361 1.00 0.00 C ATOM 524 CD GLU A 31 -3.839 8.563 -19.555 1.00 0.00 C ATOM 525 OE1 GLU A 31 -5.096 8.731 -19.318 1.00 0.00 O ATOM 526 OE2 GLU A 31 -3.362 8.223 -20.647 1.00 0.00 O ATOM 0 H GLU A 31 -3.837 9.564 -14.796 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.663 9.843 -16.532 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.278 8.947 -16.693 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.284 10.360 -17.729 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.033 9.361 -18.689 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.575 7.865 -17.955 1.00 0.00 H new ATOM 533 N ARG A 32 -1.800 12.170 -17.678 1.00 0.00 N ATOM 534 CA ARG A 32 -1.643 13.564 -18.058 1.00 0.00 C ATOM 535 C ARG A 32 -2.880 14.020 -18.835 1.00 0.00 C ATOM 536 O ARG A 32 -3.247 13.409 -19.836 1.00 0.00 O ATOM 537 CB ARG A 32 -0.400 13.776 -18.925 1.00 0.00 C ATOM 538 CG ARG A 32 0.703 14.487 -18.138 1.00 0.00 C ATOM 539 CD ARG A 32 1.078 13.698 -16.883 1.00 0.00 C ATOM 540 NE ARG A 32 2.022 12.612 -17.230 1.00 0.00 N ATOM 541 CZ ARG A 32 3.366 12.725 -17.155 1.00 0.00 C ATOM 542 NH1 ARG A 32 3.898 13.883 -16.742 1.00 0.00 N ATOM 543 NH2 ARG A 32 4.154 11.694 -17.489 1.00 0.00 N ATOM 0 H ARG A 32 -1.292 11.514 -18.271 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.526 14.150 -17.146 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.034 12.814 -19.283 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.662 14.365 -19.804 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.583 14.612 -18.770 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.368 15.486 -17.857 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.531 14.363 -16.147 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.182 13.279 -16.425 1.00 0.00 H new ATOM 0 HE ARG A 32 1.634 11.723 -17.545 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.290 14.662 -16.490 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.911 13.985 -16.680 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.740 10.816 -17.803 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.168 11.787 -17.430 1.00 0.00 H new TER 557 ARG A 32 ATOM 558 N MET B 1 16.425 -6.929 12.279 1.00 0.00 N ATOM 559 CA MET B 1 15.134 -6.581 12.846 1.00 0.00 C ATOM 560 C MET B 1 15.032 -5.060 12.976 1.00 0.00 C ATOM 561 O MET B 1 13.938 -4.521 12.754 1.00 0.00 O ATOM 562 CB MET B 1 14.966 -7.224 14.223 1.00 0.00 C ATOM 563 CG MET B 1 13.528 -7.703 14.433 1.00 0.00 C ATOM 564 SD MET B 1 13.310 -8.286 16.140 1.00 0.00 S ATOM 565 CE MET B 1 11.840 -7.330 16.615 1.00 0.00 C ATOM 0 H1 MET B 1 16.412 -7.922 11.970 1.00 0.00 H new ATOM 0 H2 MET B 1 16.623 -6.315 11.463 1.00 0.00 H new ATOM 0 H3 MET B 1 17.166 -6.800 12.997 1.00 0.00 H new ATOM 0 HA MET B 1 14.347 -6.950 12.188 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.651 -8.066 14.321 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.231 -6.505 14.999 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.831 -6.891 14.226 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.298 -8.507 13.733 1.00 0.00 H new ATOM 0 HE1 MET B 1 12.140 -6.484 17.233 1.00 0.00 H new ATOM 0 HE2 MET B 1 11.339 -6.964 15.719 1.00 0.00 H new ATOM 0 HE3 MET B 1 11.158 -7.967 17.178 1.00 0.00 H new ATOM 575 N ASP B 2 16.156 -4.409 13.328 1.00 0.00 N ATOM 576 CA ASP B 2 16.193 -2.966 13.486 1.00 0.00 C ATOM 577 C ASP B 2 15.507 -2.308 12.287 1.00 0.00 C ATOM 578 O ASP B 2 14.993 -1.191 12.441 1.00 0.00 O ATOM 579 CB ASP B 2 17.634 -2.454 13.545 1.00 0.00 C ATOM 580 CG ASP B 2 18.629 -3.403 14.217 1.00 0.00 C ATOM 581 OD1 ASP B 2 18.922 -4.457 13.536 1.00 0.00 O ATOM 582 OD2 ASP B 2 19.101 -3.146 15.336 1.00 0.00 O ATOM 0 H ASP B 2 17.047 -4.872 13.506 1.00 0.00 H new ATOM 0 HA ASP B 2 15.683 -2.716 14.417 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.975 -2.254 12.529 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.645 -1.503 14.078 1.00 0.00 H new ATOM 587 N ALA B 3 15.512 -3.002 11.135 1.00 0.00 N ATOM 588 CA ALA B 3 14.895 -2.489 9.924 1.00 0.00 C ATOM 589 C ALA B 3 13.543 -3.176 9.715 1.00 0.00 C ATOM 590 O ALA B 3 12.711 -2.628 8.977 1.00 0.00 O ATOM 591 CB ALA B 3 15.755 -2.858 8.713 1.00 0.00 C ATOM 0 H ALA B 3 15.941 -3.921 11.029 1.00 0.00 H new ATOM 0 HA ALA B 3 14.788 -1.409 10.022 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.290 -2.472 7.806 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.748 -2.423 8.826 1.00 0.00 H new ATOM 0 HB3 ALA B 3 15.840 -3.942 8.644 1.00 0.00 H new ATOM 597 N ILE B 4 13.354 -4.342 10.359 1.00 0.00 N ATOM 598 CA ILE B 4 12.115 -5.092 10.244 1.00 0.00 C ATOM 599 C ILE B 4 11.018 -4.382 11.039 1.00 0.00 C ATOM 600 O ILE B 4 9.894 -4.277 10.527 1.00 0.00 O ATOM 601 CB ILE B 4 12.331 -6.549 10.661 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.360 -7.231 9.756 1.00 0.00 C ATOM 603 CG2 ILE B 4 11.004 -7.310 10.697 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.812 -8.546 9.199 1.00 0.00 C ATOM 0 H ILE B 4 14.052 -4.776 10.963 1.00 0.00 H new ATOM 0 HA ILE B 4 11.785 -5.126 9.206 1.00 0.00 H new ATOM 0 HB ILE B 4 12.736 -6.560 11.673 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.625 -6.566 8.934 1.00 0.00 H new ATOM 0 HG13 ILE B 4 14.274 -7.423 10.318 1.00 0.00 H new ATOM 0 HG21 ILE B 4 11.185 -8.343 10.996 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.333 -6.837 11.414 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.548 -7.293 9.707 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.562 -9.011 8.559 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.571 -9.218 10.023 1.00 0.00 H new ATOM 0 HD13 ILE B 4 11.912 -8.348 8.617 1.00 0.00 H new ATOM 616 N LYS B 5 11.360 -3.915 12.253 1.00 0.00 N ATOM 617 CA LYS B 5 10.410 -3.221 13.107 1.00 0.00 C ATOM 618 C LYS B 5 9.915 -1.962 12.393 1.00 0.00 C ATOM 619 O LYS B 5 8.756 -1.578 12.613 1.00 0.00 O ATOM 620 CB LYS B 5 11.027 -2.947 14.481 1.00 0.00 C ATOM 621 CG LYS B 5 12.334 -2.165 14.349 1.00 0.00 C ATOM 622 CD LYS B 5 13.420 -2.756 15.252 1.00 0.00 C ATOM 623 CE LYS B 5 12.814 -3.323 16.537 1.00 0.00 C ATOM 624 NZ LYS B 5 13.600 -2.900 17.708 1.00 0.00 N ATOM 0 H LYS B 5 12.292 -4.012 12.656 1.00 0.00 H new ATOM 0 HA LYS B 5 9.537 -3.846 13.294 1.00 0.00 H new ATOM 0 HB2 LYS B 5 10.323 -2.384 15.094 1.00 0.00 H new ATOM 0 HB3 LYS B 5 11.214 -3.890 14.994 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.669 -2.182 13.312 1.00 0.00 H new ATOM 0 HG3 LYS B 5 12.165 -1.121 14.612 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.953 -3.543 14.719 1.00 0.00 H new ATOM 0 HD3 LYS B 5 14.151 -1.987 15.499 1.00 0.00 H new ATOM 0 HE2 LYS B 5 11.784 -2.983 16.641 1.00 0.00 H new ATOM 0 HE3 LYS B 5 12.787 -4.411 16.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 13.175 -3.293 18.572 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 14.576 -3.246 17.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 13.604 -1.862 17.766 1.00 0.00 H new ATOM 638 N LYS B 6 10.785 -1.356 11.566 1.00 0.00 N ATOM 639 CA LYS B 6 10.437 -0.153 10.829 1.00 0.00 C ATOM 640 C LYS B 6 9.831 -0.543 9.480 1.00 0.00 C ATOM 641 O LYS B 6 9.033 0.239 8.942 1.00 0.00 O ATOM 642 CB LYS B 6 11.648 0.774 10.714 1.00 0.00 C ATOM 643 CG LYS B 6 12.541 0.666 11.951 1.00 0.00 C ATOM 644 CD LYS B 6 13.647 1.723 11.923 1.00 0.00 C ATOM 645 CE LYS B 6 14.240 1.933 13.318 1.00 0.00 C ATOM 646 NZ LYS B 6 15.524 2.647 13.231 1.00 0.00 N ATOM 0 H LYS B 6 11.734 -1.690 11.399 1.00 0.00 H new ATOM 0 HA LYS B 6 9.679 0.416 11.366 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.222 0.519 9.823 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.312 1.804 10.593 1.00 0.00 H new ATOM 0 HG2 LYS B 6 11.938 0.789 12.851 1.00 0.00 H new ATOM 0 HG3 LYS B 6 12.985 -0.329 11.998 1.00 0.00 H new ATOM 0 HD2 LYS B 6 14.432 1.415 11.233 1.00 0.00 H new ATOM 0 HD3 LYS B 6 13.246 2.665 11.549 1.00 0.00 H new ATOM 0 HE2 LYS B 6 13.543 2.501 13.934 1.00 0.00 H new ATOM 0 HE3 LYS B 6 14.385 0.969 13.806 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 15.912 2.781 14.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 16.192 2.091 12.661 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 15.376 3.574 12.784 1.00 0.00 H new ATOM 660 N LYS B 7 10.214 -1.727 8.968 1.00 0.00 N ATOM 661 CA LYS B 7 9.711 -2.213 7.693 1.00 0.00 C ATOM 662 C LYS B 7 8.182 -2.232 7.727 1.00 0.00 C ATOM 663 O LYS B 7 7.566 -1.687 6.800 1.00 0.00 O ATOM 664 CB LYS B 7 10.336 -3.568 7.354 1.00 0.00 C ATOM 665 CG LYS B 7 9.863 -4.063 5.986 1.00 0.00 C ATOM 666 CD LYS B 7 9.851 -2.923 4.964 1.00 0.00 C ATOM 667 CE LYS B 7 10.008 -3.461 3.541 1.00 0.00 C ATOM 668 NZ LYS B 7 9.160 -2.702 2.607 1.00 0.00 N ATOM 0 H LYS B 7 10.872 -2.357 9.427 1.00 0.00 H new ATOM 0 HA LYS B 7 10.003 -1.541 6.886 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.423 -3.482 7.358 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.071 -4.297 8.120 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.518 -4.861 5.638 1.00 0.00 H new ATOM 0 HG3 LYS B 7 8.863 -4.487 6.075 1.00 0.00 H new ATOM 0 HD2 LYS B 7 8.917 -2.367 5.045 1.00 0.00 H new ATOM 0 HD3 LYS B 7 10.658 -2.224 5.184 1.00 0.00 H new ATOM 0 HE2 LYS B 7 11.051 -3.392 3.233 1.00 0.00 H new ATOM 0 HE3 LYS B 7 9.736 -4.516 3.513 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 8.493 -3.349 2.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 8.629 -1.977 3.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 9.758 -2.243 1.890 1.00 0.00 H new ATOM 682 N MET B 8 7.611 -2.849 8.777 1.00 0.00 N ATOM 683 CA MET B 8 6.167 -2.938 8.925 1.00 0.00 C ATOM 684 C MET B 8 5.591 -1.531 9.104 1.00 0.00 C ATOM 685 O MET B 8 4.417 -1.327 8.762 1.00 0.00 O ATOM 686 CB MET B 8 5.808 -3.794 10.142 1.00 0.00 C ATOM 687 CG MET B 8 6.549 -3.310 11.390 1.00 0.00 C ATOM 688 SD MET B 8 5.364 -3.005 12.734 1.00 0.00 S ATOM 689 CE MET B 8 5.815 -4.354 13.865 1.00 0.00 C ATOM 0 H MET B 8 8.138 -3.291 9.531 1.00 0.00 H new ATOM 0 HA MET B 8 5.746 -3.402 8.033 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.733 -3.754 10.315 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.061 -4.836 9.946 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.281 -4.056 11.701 1.00 0.00 H new ATOM 0 HG3 MET B 8 7.100 -2.397 11.165 1.00 0.00 H new ATOM 0 HE1 MET B 8 5.073 -4.426 14.660 1.00 0.00 H new ATOM 0 HE2 MET B 8 5.849 -5.294 13.315 1.00 0.00 H new ATOM 0 HE3 MET B 8 6.794 -4.152 14.300 1.00 0.00 H new ATOM 699 N GLN B 9 6.415 -0.605 9.626 1.00 0.00 N ATOM 700 CA GLN B 9 5.989 0.767 9.846 1.00 0.00 C ATOM 701 C GLN B 9 6.057 1.535 8.524 1.00 0.00 C ATOM 702 O GLN B 9 5.345 2.542 8.390 1.00 0.00 O ATOM 703 CB GLN B 9 6.834 1.452 10.921 1.00 0.00 C ATOM 704 CG GLN B 9 6.588 0.824 12.295 1.00 0.00 C ATOM 705 CD GLN B 9 7.143 1.711 13.411 1.00 0.00 C ATOM 706 OE1 GLN B 9 6.737 2.846 13.598 1.00 0.00 O ATOM 707 NE2 GLN B 9 8.094 1.132 14.139 1.00 0.00 N ATOM 0 H GLN B 9 7.379 -0.794 9.900 1.00 0.00 H new ATOM 0 HA GLN B 9 4.960 0.760 10.207 1.00 0.00 H new ATOM 0 HB2 GLN B 9 7.890 1.372 10.664 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.594 2.515 10.955 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.519 0.673 12.444 1.00 0.00 H new ATOM 0 HG3 GLN B 9 7.058 -0.159 12.339 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.387 0.178 13.929 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.530 1.642 14.907 1.00 0.00 H new ATOM 716 N MET B 10 6.896 1.055 7.590 1.00 0.00 N ATOM 717 CA MET B 10 7.053 1.692 6.294 1.00 0.00 C ATOM 718 C MET B 10 5.907 1.260 5.376 1.00 0.00 C ATOM 719 O MET B 10 5.373 2.117 4.656 1.00 0.00 O ATOM 720 CB MET B 10 8.389 1.296 5.663 1.00 0.00 C ATOM 721 CG MET B 10 9.544 1.512 6.643 1.00 0.00 C ATOM 722 SD MET B 10 10.777 2.631 5.915 1.00 0.00 S ATOM 723 CE MET B 10 11.326 1.620 4.507 1.00 0.00 C ATOM 0 H MET B 10 7.473 0.224 7.720 1.00 0.00 H new ATOM 0 HA MET B 10 7.035 2.774 6.427 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.356 0.250 5.359 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.558 1.884 4.761 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.167 1.931 7.576 1.00 0.00 H new ATOM 0 HG3 MET B 10 10.008 0.556 6.887 1.00 0.00 H new ATOM 0 HE1 MET B 10 12.315 1.948 4.187 1.00 0.00 H new ATOM 0 HE2 MET B 10 11.370 0.573 4.806 1.00 0.00 H new ATOM 0 HE3 MET B 10 10.622 1.732 3.682 1.00 0.00 H new ATOM 733 N LEU B 11 5.557 -0.038 5.420 1.00 0.00 N ATOM 734 CA LEU B 11 4.485 -0.575 4.599 1.00 0.00 C ATOM 735 C LEU B 11 3.138 -0.211 5.225 1.00 0.00 C ATOM 736 O LEU B 11 2.141 -0.157 4.489 1.00 0.00 O ATOM 737 CB LEU B 11 4.677 -2.077 4.382 1.00 0.00 C ATOM 738 CG LEU B 11 5.958 -2.492 3.656 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.475 -3.835 4.179 1.00 0.00 C ATOM 740 CD2 LEU B 11 5.748 -2.510 2.141 1.00 0.00 C ATOM 0 H LEU B 11 6.009 -0.727 6.021 1.00 0.00 H new ATOM 0 HA LEU B 11 4.506 -0.128 3.605 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.658 -2.570 5.354 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.825 -2.454 3.817 1.00 0.00 H new ATOM 0 HG LEU B 11 6.726 -1.748 3.866 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.386 -4.107 3.646 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.689 -3.753 5.245 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.719 -4.603 4.019 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.674 -2.808 1.649 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.959 -3.220 1.891 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.461 -1.515 1.802 1.00 0.00 H new ATOM 752 N LYS B 12 3.133 0.027 6.549 1.00 0.00 N ATOM 753 CA LYS B 12 1.919 0.381 7.264 1.00 0.00 C ATOM 754 C LYS B 12 1.566 1.840 6.967 1.00 0.00 C ATOM 755 O LYS B 12 0.368 2.160 6.923 1.00 0.00 O ATOM 756 CB LYS B 12 2.067 0.075 8.756 1.00 0.00 C ATOM 757 CG LYS B 12 1.060 0.877 9.582 1.00 0.00 C ATOM 758 CD LYS B 12 1.626 2.249 9.956 1.00 0.00 C ATOM 759 CE LYS B 12 1.295 2.601 11.408 1.00 0.00 C ATOM 760 NZ LYS B 12 2.240 1.944 12.326 1.00 0.00 N ATOM 0 H LYS B 12 3.965 -0.023 7.137 1.00 0.00 H new ATOM 0 HA LYS B 12 1.082 -0.227 6.920 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.918 -0.991 8.929 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.080 0.312 9.081 1.00 0.00 H new ATOM 0 HG2 LYS B 12 0.137 1.002 9.015 1.00 0.00 H new ATOM 0 HG3 LYS B 12 0.806 0.326 10.487 1.00 0.00 H new ATOM 0 HD2 LYS B 12 2.707 2.251 9.815 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.216 3.009 9.291 1.00 0.00 H new ATOM 0 HE2 LYS B 12 1.337 3.682 11.545 1.00 0.00 H new ATOM 0 HE3 LYS B 12 0.277 2.290 11.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.001 2.193 13.307 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 2.180 0.913 12.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.207 2.261 12.114 1.00 0.00 H new ATOM 774 N LEU B 13 2.597 2.682 6.774 1.00 0.00 N ATOM 775 CA LEU B 13 2.396 4.092 6.485 1.00 0.00 C ATOM 776 C LEU B 13 1.957 4.253 5.028 1.00 0.00 C ATOM 777 O LEU B 13 1.025 5.029 4.774 1.00 0.00 O ATOM 778 CB LEU B 13 3.647 4.896 6.842 1.00 0.00 C ATOM 779 CG LEU B 13 3.446 6.401 7.035 1.00 0.00 C ATOM 780 CD1 LEU B 13 4.733 7.169 6.734 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.267 6.908 6.202 1.00 0.00 C ATOM 0 H LEU B 13 3.576 2.398 6.815 1.00 0.00 H new ATOM 0 HA LEU B 13 1.597 4.497 7.106 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.069 4.485 7.759 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.387 4.746 6.056 1.00 0.00 H new ATOM 0 HG LEU B 13 3.201 6.581 8.082 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.562 8.236 6.879 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.523 6.833 7.406 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.033 6.986 5.702 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.146 7.980 6.357 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.457 6.714 5.146 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.357 6.392 6.508 1.00 0.00 H new ATOM 793 N ASP B 14 2.628 3.527 4.115 1.00 0.00 N ATOM 794 CA ASP B 14 2.309 3.589 2.698 1.00 0.00 C ATOM 795 C ASP B 14 0.889 3.066 2.476 1.00 0.00 C ATOM 796 O ASP B 14 0.211 3.567 1.566 1.00 0.00 O ATOM 797 CB ASP B 14 3.267 2.719 1.880 1.00 0.00 C ATOM 798 CG ASP B 14 3.746 3.343 0.568 1.00 0.00 C ATOM 799 OD1 ASP B 14 3.984 4.610 0.622 1.00 0.00 O ATOM 800 OD2 ASP B 14 3.886 2.654 -0.453 1.00 0.00 O ATOM 0 H ASP B 14 3.393 2.893 4.345 1.00 0.00 H new ATOM 0 HA ASP B 14 2.400 4.627 2.377 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.137 2.487 2.494 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.774 1.773 1.656 1.00 0.00 H new ATOM 805 N ASN B 15 0.472 2.086 3.297 1.00 0.00 N ATOM 806 CA ASN B 15 -0.854 1.503 3.190 1.00 0.00 C ATOM 807 C ASN B 15 -1.905 2.591 3.422 1.00 0.00 C ATOM 808 O ASN B 15 -2.827 2.705 2.601 1.00 0.00 O ATOM 809 CB ASN B 15 -1.064 0.413 4.243 1.00 0.00 C ATOM 810 CG ASN B 15 -2.129 -0.589 3.791 1.00 0.00 C ATOM 811 OD1 ASN B 15 -3.316 -0.408 4.000 1.00 0.00 O ATOM 812 ND2 ASN B 15 -1.637 -1.653 3.162 1.00 0.00 N ATOM 0 H ASN B 15 1.045 1.688 4.041 1.00 0.00 H new ATOM 0 HA ASN B 15 -0.951 1.068 2.195 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -0.124 -0.108 4.425 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.365 0.868 5.187 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -2.266 -2.380 2.821 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -0.631 -1.742 3.020 1.00 0.00 H new ATOM 819 N TYR B 16 -1.747 3.357 4.516 1.00 0.00 N ATOM 820 CA TYR B 16 -2.713 4.406 4.795 1.00 0.00 C ATOM 821 C TYR B 16 -2.732 5.399 3.632 1.00 0.00 C ATOM 822 O TYR B 16 -3.821 5.895 3.307 1.00 0.00 O ATOM 823 CB TYR B 16 -2.376 5.094 6.130 1.00 0.00 C ATOM 824 CG TYR B 16 -2.157 4.140 7.296 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.803 2.883 7.322 1.00 0.00 C ATOM 826 CD2 TYR B 16 -1.307 4.511 8.363 1.00 0.00 C ATOM 827 CE1 TYR B 16 -2.598 2.002 8.406 1.00 0.00 C ATOM 828 CE2 TYR B 16 -1.103 3.630 9.447 1.00 0.00 C ATOM 829 CZ TYR B 16 -1.748 2.375 9.469 1.00 0.00 C ATOM 830 OH TYR B 16 -1.547 1.525 10.520 1.00 0.00 O ATOM 0 H TYR B 16 -0.987 3.268 5.191 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.710 3.977 4.892 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.477 5.697 5.997 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.184 5.779 6.385 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.455 2.596 6.510 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.812 5.471 8.349 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.092 1.042 8.422 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.453 3.917 10.260 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.630 0.598 10.212 1.00 0.00 H new ATOM 840 N HIS B 17 -1.554 5.672 3.042 1.00 0.00 N ATOM 841 CA HIS B 17 -1.446 6.605 1.934 1.00 0.00 C ATOM 842 C HIS B 17 -2.063 5.978 0.682 1.00 0.00 C ATOM 843 O HIS B 17 -2.738 6.699 -0.067 1.00 0.00 O ATOM 844 CB HIS B 17 0.006 7.040 1.725 1.00 0.00 C ATOM 845 CG HIS B 17 0.484 6.923 0.297 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.397 7.966 -0.609 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.051 5.878 -0.371 1.00 0.00 C ATOM 848 CE1 HIS B 17 0.894 7.554 -1.768 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.298 6.261 -1.617 1.00 0.00 N ATOM 0 H HIS B 17 -0.668 5.252 3.324 1.00 0.00 H new ATOM 0 HA HIS B 17 -2.004 7.514 2.161 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.115 8.075 2.050 1.00 0.00 H new ATOM 0 HB3 HIS B 17 0.651 6.436 2.364 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.263 4.904 0.044 1.00 0.00 H new ATOM 0 HE1 HIS B 17 0.966 8.140 -2.672 1.00 0.00 H new ATOM 0 HE2 HIS B 17 1.721 5.683 -2.343 1.00 0.00 H new ATOM 857 N LEU B 18 -1.822 4.670 0.483 1.00 0.00 N ATOM 858 CA LEU B 18 -2.351 3.956 -0.668 1.00 0.00 C ATOM 859 C LEU B 18 -3.874 3.861 -0.547 1.00 0.00 C ATOM 860 O LEU B 18 -4.555 3.982 -1.576 1.00 0.00 O ATOM 861 CB LEU B 18 -1.660 2.600 -0.821 1.00 0.00 C ATOM 862 CG LEU B 18 -0.214 2.636 -1.318 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.428 1.251 -1.238 1.00 0.00 C ATOM 864 CD2 LEU B 18 -0.134 3.224 -2.729 1.00 0.00 C ATOM 0 H LEU B 18 -1.262 4.094 1.112 1.00 0.00 H new ATOM 0 HA LEU B 18 -2.137 4.502 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.679 2.094 0.144 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.245 1.992 -1.511 1.00 0.00 H new ATOM 0 HG LEU B 18 0.356 3.293 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.456 1.305 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.423 0.907 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -0.136 0.552 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU B 18 0.905 3.238 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.723 2.612 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.527 4.241 -2.722 1.00 0.00 H new ATOM 876 N GLU B 19 -4.368 3.648 0.686 1.00 0.00 N ATOM 877 CA GLU B 19 -5.795 3.538 0.934 1.00 0.00 C ATOM 878 C GLU B 19 -6.464 4.885 0.650 1.00 0.00 C ATOM 879 O GLU B 19 -7.429 4.912 -0.129 1.00 0.00 O ATOM 880 CB GLU B 19 -6.083 3.074 2.363 1.00 0.00 C ATOM 881 CG GLU B 19 -7.166 1.994 2.383 1.00 0.00 C ATOM 882 CD GLU B 19 -8.532 2.582 2.022 1.00 0.00 C ATOM 883 OE1 GLU B 19 -8.843 3.717 2.413 1.00 0.00 O ATOM 884 OE2 GLU B 19 -9.284 1.815 1.306 1.00 0.00 O ATOM 0 H GLU B 19 -3.789 3.550 1.520 1.00 0.00 H new ATOM 0 HA GLU B 19 -6.208 2.783 0.265 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.170 2.686 2.814 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -6.401 3.923 2.968 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -6.909 1.203 1.679 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -7.212 1.538 3.372 1.00 0.00 H new ATOM 891 N ASN B 20 -5.947 5.957 1.275 1.00 0.00 N ATOM 892 CA ASN B 20 -6.490 7.293 1.089 1.00 0.00 C ATOM 893 C ASN B 20 -6.357 7.694 -0.382 1.00 0.00 C ATOM 894 O ASN B 20 -7.197 8.468 -0.861 1.00 0.00 O ATOM 895 CB ASN B 20 -5.729 8.319 1.930 1.00 0.00 C ATOM 896 CG ASN B 20 -6.372 8.483 3.309 1.00 0.00 C ATOM 897 OD1 ASN B 20 -7.580 8.436 3.469 1.00 0.00 O ATOM 898 ND2 ASN B 20 -5.499 8.679 4.293 1.00 0.00 N ATOM 0 H ASN B 20 -5.152 5.913 1.913 1.00 0.00 H new ATOM 0 HA ASN B 20 -7.535 7.278 1.398 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.692 8.004 2.044 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -5.716 9.279 1.414 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -5.829 8.801 5.251 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -4.500 8.707 4.090 1.00 0.00 H new ATOM 905 N GLU B 21 -5.320 7.166 -1.057 1.00 0.00 N ATOM 906 CA GLU B 21 -5.080 7.467 -2.459 1.00 0.00 C ATOM 907 C GLU B 21 -6.008 6.612 -3.324 1.00 0.00 C ATOM 908 O GLU B 21 -6.413 7.083 -4.397 1.00 0.00 O ATOM 909 CB GLU B 21 -3.616 7.246 -2.839 1.00 0.00 C ATOM 910 CG GLU B 21 -3.322 7.796 -4.236 1.00 0.00 C ATOM 911 CD GLU B 21 -2.065 7.154 -4.826 1.00 0.00 C ATOM 912 OE1 GLU B 21 -1.438 6.355 -4.032 1.00 0.00 O ATOM 913 OE2 GLU B 21 -1.719 7.420 -5.987 1.00 0.00 O ATOM 0 H GLU B 21 -4.640 6.529 -0.643 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.295 8.521 -2.633 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.970 7.734 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.385 6.181 -2.808 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.172 7.607 -4.891 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.193 8.877 -4.185 1.00 0.00 H new ATOM 920 N VAL B 22 -6.318 5.392 -2.851 1.00 0.00 N ATOM 921 CA VAL B 22 -7.188 4.482 -3.576 1.00 0.00 C ATOM 922 C VAL B 22 -8.643 4.919 -3.391 1.00 0.00 C ATOM 923 O VAL B 22 -9.413 4.831 -4.359 1.00 0.00 O ATOM 924 CB VAL B 22 -6.934 3.043 -3.126 1.00 0.00 C ATOM 925 CG1 VAL B 22 -8.218 2.214 -3.189 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.823 2.398 -3.955 1.00 0.00 C ATOM 0 H VAL B 22 -5.972 5.023 -1.965 1.00 0.00 H new ATOM 0 HA VAL B 22 -6.971 4.516 -4.644 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.604 3.070 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -8.009 1.195 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -8.969 2.657 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.591 2.199 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.662 1.375 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -6.111 2.390 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.902 2.969 -3.836 1.00 0.00 H new ATOM 936 N ALA B 23 -8.986 5.372 -2.172 1.00 0.00 N ATOM 937 CA ALA B 23 -10.335 5.817 -1.866 1.00 0.00 C ATOM 938 C ALA B 23 -10.619 7.122 -2.613 1.00 0.00 C ATOM 939 O ALA B 23 -11.800 7.444 -2.809 1.00 0.00 O ATOM 940 CB ALA B 23 -10.444 6.143 -0.375 1.00 0.00 C ATOM 0 H ALA B 23 -8.337 5.435 -1.388 1.00 0.00 H new ATOM 0 HA ALA B 23 -11.032 5.029 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -11.457 6.476 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -10.216 5.252 0.210 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.737 6.933 -0.123 1.00 0.00 H new ATOM 946 N ARG B 24 -9.549 7.835 -3.007 1.00 0.00 N ATOM 947 CA ARG B 24 -9.682 9.091 -3.724 1.00 0.00 C ATOM 948 C ARG B 24 -9.724 8.813 -5.228 1.00 0.00 C ATOM 949 O ARG B 24 -10.317 9.619 -5.961 1.00 0.00 O ATOM 950 CB ARG B 24 -8.522 10.040 -3.421 1.00 0.00 C ATOM 951 CG ARG B 24 -8.802 10.866 -2.163 1.00 0.00 C ATOM 952 CD ARG B 24 -7.499 11.348 -1.523 1.00 0.00 C ATOM 953 NE ARG B 24 -7.601 11.267 -0.048 1.00 0.00 N ATOM 954 CZ ARG B 24 -7.068 12.175 0.798 1.00 0.00 C ATOM 955 NH1 ARG B 24 -6.404 13.223 0.292 1.00 0.00 N ATOM 956 NH2 ARG B 24 -7.205 12.030 2.124 1.00 0.00 N ATOM 0 H ARG B 24 -8.584 7.552 -2.835 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.605 9.569 -3.397 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.604 9.467 -3.287 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.361 10.706 -4.269 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -9.425 11.723 -2.418 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -9.363 10.266 -1.447 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -6.665 10.739 -1.872 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -7.293 12.375 -1.826 1.00 0.00 H new ATOM 0 HE ARG B 24 -8.105 10.477 0.354 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -6.307 13.326 -0.718 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -5.995 13.918 0.917 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -7.714 11.230 2.500 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -6.800 12.720 2.757 1.00 0.00 H new ATOM 970 N LEU B 25 -9.106 7.696 -5.652 1.00 0.00 N ATOM 971 CA LEU B 25 -9.074 7.318 -7.055 1.00 0.00 C ATOM 972 C LEU B 25 -10.345 6.539 -7.397 1.00 0.00 C ATOM 973 O LEU B 25 -10.887 6.747 -8.493 1.00 0.00 O ATOM 974 CB LEU B 25 -7.784 6.563 -7.377 1.00 0.00 C ATOM 975 CG LEU B 25 -6.525 7.419 -7.532 1.00 0.00 C ATOM 976 CD1 LEU B 25 -5.284 6.543 -7.713 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.686 8.426 -8.673 1.00 0.00 C ATOM 0 H LEU B 25 -8.624 7.045 -5.032 1.00 0.00 H new ATOM 0 HA LEU B 25 -9.063 8.205 -7.689 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.607 5.833 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.935 6.004 -8.300 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.385 7.990 -6.614 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.404 7.177 -7.821 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.163 5.899 -6.842 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.400 5.928 -8.605 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.778 9.022 -8.763 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.864 7.893 -9.607 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.531 9.081 -8.463 1.00 0.00 H new ATOM 989 N LYS B 26 -10.788 5.671 -6.470 1.00 0.00 N ATOM 990 CA LYS B 26 -11.983 4.870 -6.674 1.00 0.00 C ATOM 991 C LYS B 26 -13.191 5.795 -6.830 1.00 0.00 C ATOM 992 O LYS B 26 -14.164 5.390 -7.484 1.00 0.00 O ATOM 993 CB LYS B 26 -12.137 3.842 -5.551 1.00 0.00 C ATOM 994 CG LYS B 26 -11.194 2.656 -5.760 1.00 0.00 C ATOM 995 CD LYS B 26 -11.902 1.515 -6.495 1.00 0.00 C ATOM 996 CE LYS B 26 -11.457 1.444 -7.956 1.00 0.00 C ATOM 997 NZ LYS B 26 -11.746 0.116 -8.519 1.00 0.00 N ATOM 0 H LYS B 26 -10.327 5.514 -5.574 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.902 4.293 -7.595 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.927 4.313 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.168 3.490 -5.515 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.323 2.976 -6.331 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.830 2.302 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.686 0.569 -5.999 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.981 1.661 -6.447 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.970 2.211 -8.536 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.389 1.651 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -11.437 0.085 -9.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.237 -0.610 -7.975 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.768 -0.067 -8.468 1.00 0.00 H new ATOM 1011 N LYS B 27 -13.109 7.000 -6.238 1.00 0.00 N ATOM 1012 CA LYS B 27 -14.188 7.969 -6.312 1.00 0.00 C ATOM 1013 C LYS B 27 -14.122 8.699 -7.655 1.00 0.00 C ATOM 1014 O LYS B 27 -15.081 9.411 -7.987 1.00 0.00 O ATOM 1015 CB LYS B 27 -14.150 8.906 -5.101 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.552 9.116 -4.527 1.00 0.00 C ATOM 1017 CD LYS B 27 -15.616 10.396 -3.691 1.00 0.00 C ATOM 1018 CE LYS B 27 -14.618 10.344 -2.532 1.00 0.00 C ATOM 1019 NZ LYS B 27 -14.905 9.196 -1.655 1.00 0.00 N ATOM 0 H LYS B 27 -12.299 7.315 -5.704 1.00 0.00 H new ATOM 0 HA LYS B 27 -15.154 7.467 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.498 8.489 -4.334 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.725 9.866 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -16.277 9.171 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -15.828 8.261 -3.911 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -15.401 11.258 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -16.625 10.530 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -13.603 10.267 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -14.670 11.269 -1.958 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -14.385 9.304 -0.761 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -15.926 9.155 -1.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -14.607 8.317 -2.125 1.00 0.00 H new ATOM 1033 N LEU B 28 -13.011 8.509 -8.390 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.826 9.144 -9.683 1.00 0.00 C ATOM 1035 C LEU B 28 -12.971 8.094 -10.787 1.00 0.00 C ATOM 1036 O LEU B 28 -13.479 8.437 -11.864 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.495 9.898 -9.724 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.558 11.339 -10.235 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.827 12.317 -9.089 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -10.290 11.701 -11.011 1.00 0.00 C ATOM 0 H LEU B 28 -12.233 7.917 -8.099 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.597 9.895 -9.852 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -11.074 9.908 -8.719 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.803 9.340 -10.354 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.395 11.419 -10.929 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.867 13.334 -9.480 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.779 12.072 -8.617 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -11.027 12.243 -8.352 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -10.360 12.730 -11.363 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -9.423 11.599 -10.359 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -10.182 11.032 -11.865 1.00 0.00 H new ATOM 1052 N VAL B 29 -12.530 6.855 -10.502 1.00 0.00 N ATOM 1053 CA VAL B 29 -12.610 5.769 -11.463 1.00 0.00 C ATOM 1054 C VAL B 29 -13.661 4.760 -10.999 1.00 0.00 C ATOM 1055 O VAL B 29 -14.671 4.595 -11.699 1.00 0.00 O ATOM 1056 CB VAL B 29 -11.227 5.144 -11.663 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -11.211 4.231 -12.891 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -10.148 6.223 -11.768 1.00 0.00 C ATOM 0 H VAL B 29 -12.115 6.593 -9.608 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.926 6.143 -12.437 1.00 0.00 H new ATOM 0 HB VAL B 29 -11.005 4.533 -10.788 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -10.217 3.800 -13.011 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -11.940 3.432 -12.760 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.464 4.811 -13.779 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -9.175 5.752 -11.910 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.364 6.872 -12.617 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -10.135 6.815 -10.853 1.00 0.00 H new ATOM 1068 N GLY B 30 -13.407 4.114 -9.846 1.00 0.00 N ATOM 1069 CA GLY B 30 -14.325 3.131 -9.296 1.00 0.00 C ATOM 1070 C GLY B 30 -15.719 3.750 -9.179 1.00 0.00 C ATOM 1071 O GLY B 30 -16.669 3.012 -8.880 1.00 0.00 O ATOM 0 H GLY B 30 -12.568 4.264 -9.285 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.359 2.250 -9.937 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -13.978 2.800 -8.317 1.00 0.00 H new ATOM 1075 N GLU B 31 -15.813 5.071 -9.413 1.00 0.00 N ATOM 1076 CA GLU B 31 -17.079 5.779 -9.336 1.00 0.00 C ATOM 1077 C GLU B 31 -18.062 5.170 -10.337 1.00 0.00 C ATOM 1078 O GLU B 31 -18.023 5.560 -11.514 1.00 0.00 O ATOM 1079 CB GLU B 31 -16.902 7.278 -9.584 1.00 0.00 C ATOM 1080 CG GLU B 31 -17.646 8.101 -8.532 1.00 0.00 C ATOM 1081 CD GLU B 31 -17.922 9.520 -9.037 1.00 0.00 C ATOM 1082 OE1 GLU B 31 -17.295 9.843 -10.117 1.00 0.00 O ATOM 1083 OE2 GLU B 31 -18.697 10.260 -8.415 1.00 0.00 O ATOM 0 H GLU B 31 -15.018 5.661 -9.657 1.00 0.00 H new ATOM 0 HA GLU B 31 -17.478 5.670 -8.328 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -15.842 7.530 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -17.272 7.532 -10.577 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -18.587 7.611 -8.281 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -17.056 8.146 -7.617 1.00 0.00 H new ATOM 1090 N ARG B 32 -18.909 4.241 -9.861 1.00 0.00 N ATOM 1091 CA ARG B 32 -19.892 3.586 -10.709 1.00 0.00 C ATOM 1092 C ARG B 32 -20.563 4.631 -11.604 1.00 0.00 C ATOM 1093 O ARG B 32 -21.772 4.577 -11.824 1.00 0.00 O ATOM 1094 CB ARG B 32 -20.961 2.869 -9.883 1.00 0.00 C ATOM 1095 CG ARG B 32 -20.394 2.396 -8.544 1.00 0.00 C ATOM 1096 CD ARG B 32 -20.762 3.365 -7.419 1.00 0.00 C ATOM 1097 NE ARG B 32 -20.773 4.754 -7.931 1.00 0.00 N ATOM 1098 CZ ARG B 32 -20.972 5.843 -7.159 1.00 0.00 C ATOM 1099 NH1 ARG B 32 -21.173 5.681 -5.844 1.00 0.00 N ATOM 1100 NH2 ARG B 32 -20.969 7.069 -7.700 1.00 0.00 N ATOM 0 H ARG B 32 -18.924 3.933 -8.889 1.00 0.00 H new ATOM 0 HA ARG B 32 -19.375 2.841 -11.313 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -21.802 3.540 -9.709 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -21.345 2.015 -10.441 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -20.778 1.402 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -19.310 2.310 -8.614 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -21.741 3.110 -7.014 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -20.046 3.275 -6.602 1.00 0.00 H new ATOM 0 HE ARG B 32 -20.621 4.897 -8.929 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -21.174 4.745 -5.440 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -21.325 6.494 -5.247 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -20.816 7.184 -8.702 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -21.120 7.887 -7.110 1.00 0.00 H new TER 1114 ARG B 32