USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 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: B 1 MET CE :methyl 150:sc= -0.138 (180deg=-1.17) USER MOD Set 1.2: B 5 LYS NZ :NH3+ -114:sc= -0.0591 (180deg=-0.976) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 161:sc= 0.386 (180deg=0) USER MOD Set 2.2: A 16 TYR OH : rot -140:sc= -2.47! USER MOD Single : A 1 MET CE :methyl -110:sc= -0.29 (180deg=-1.42!) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.143) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= -0.175 (180deg=-1.41!) USER MOD Single : A 8 MET CE :methyl 158:sc= -0.466 (180deg=-1.57!) USER MOD Single : A 9 GLN : amide:sc= -0.017 X(o=-0.017,f=-0.082) USER MOD Single : A 10 MET CE :methyl 174:sc= -1.42! (180deg=-1.88!) USER MOD Single : A 15 ASN : amide:sc= 0.152 X(o=0.15,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.029) USER MOD Single : A 20 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.6!) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= -3.73! (180deg=-3.84!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -167:sc= 0 (180deg=-0.169) USER MOD Single : B 6 LYS NZ :NH3+ 137:sc= -0.905 (180deg=-2.76!) USER MOD Single : B 7 LYS NZ :NH3+ -135:sc= -0.287 (180deg=-1.42!) USER MOD Single : B 8 MET CE :methyl -133:sc= 0 (180deg=-0.999) USER MOD Single : B 9 GLN : amide:sc= -0.894 K(o=-0.89,f=-0.007) USER MOD Single : B 10 MET CE :methyl -178:sc= 0 (180deg=-0.00535) USER MOD Single : B 12 LYS NZ :NH3+ -124:sc= 0.326 (180deg=-3.26!) USER MOD Single : B 15 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.00071) USER MOD Single : B 16 TYR OH : rot 15:sc= -0.229 USER MOD Single : B 17 HIS : no HD1:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : B 20 ASN : amide:sc= -2.53! C(o=-2.5!,f=-3!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.614 -11.511 16.789 1.00 0.00 N ATOM 2 CA MET A 1 9.263 -11.382 15.495 1.00 0.00 C ATOM 3 C MET A 1 8.637 -12.374 14.514 1.00 0.00 C ATOM 4 O MET A 1 8.425 -12.000 13.351 1.00 0.00 O ATOM 5 CB MET A 1 10.762 -11.664 15.621 1.00 0.00 C ATOM 6 CG MET A 1 11.564 -10.819 14.630 1.00 0.00 C ATOM 7 SD MET A 1 13.021 -11.743 14.061 1.00 0.00 S ATOM 8 CE MET A 1 13.358 -10.873 12.502 1.00 0.00 C ATOM 0 H1 MET A 1 8.901 -10.721 17.402 1.00 0.00 H new ATOM 0 H2 MET A 1 7.582 -11.494 16.663 1.00 0.00 H new ATOM 0 H3 MET A 1 8.894 -12.410 17.230 1.00 0.00 H new ATOM 0 HA MET A 1 9.127 -10.364 15.129 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.092 -11.449 16.638 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.953 -12.722 15.440 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.938 -10.551 13.779 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.876 -9.888 15.103 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.125 -11.528 11.662 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.741 -9.976 12.445 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.410 -10.592 12.462 1.00 0.00 H new ATOM 18 N ASP A 2 8.358 -13.600 14.992 1.00 0.00 N ATOM 19 CA ASP A 2 7.762 -14.633 14.163 1.00 0.00 C ATOM 20 C ASP A 2 6.511 -14.076 13.481 1.00 0.00 C ATOM 21 O ASP A 2 6.247 -14.456 12.331 1.00 0.00 O ATOM 22 CB ASP A 2 7.344 -15.841 15.004 1.00 0.00 C ATOM 23 CG ASP A 2 8.239 -16.130 16.211 1.00 0.00 C ATOM 24 OD1 ASP A 2 9.268 -16.811 16.094 1.00 0.00 O ATOM 25 OD2 ASP A 2 7.835 -15.617 17.323 1.00 0.00 O ATOM 0 H ASP A 2 8.541 -13.889 15.953 1.00 0.00 H new ATOM 0 HA ASP A 2 8.504 -14.945 13.428 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.324 -15.684 15.356 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.328 -16.723 14.363 1.00 0.00 H new ATOM 30 N ALA A 3 5.777 -13.201 14.191 1.00 0.00 N ATOM 31 CA ALA A 3 4.568 -12.598 13.658 1.00 0.00 C ATOM 32 C ALA A 3 4.924 -11.291 12.948 1.00 0.00 C ATOM 33 O ALA A 3 4.076 -10.772 12.205 1.00 0.00 O ATOM 34 CB ALA A 3 3.631 -12.220 14.808 1.00 0.00 C ATOM 0 H ALA A 3 6.011 -12.902 15.138 1.00 0.00 H new ATOM 0 HA ALA A 3 4.098 -13.310 12.980 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.725 -11.768 14.405 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.370 -13.114 15.374 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.130 -11.508 15.465 1.00 0.00 H new ATOM 40 N ILE A 4 6.150 -10.792 13.184 1.00 0.00 N ATOM 41 CA ILE A 4 6.610 -9.557 12.572 1.00 0.00 C ATOM 42 C ILE A 4 7.040 -9.837 11.130 1.00 0.00 C ATOM 43 O ILE A 4 6.659 -9.063 10.240 1.00 0.00 O ATOM 44 CB ILE A 4 7.703 -8.911 13.424 1.00 0.00 C ATOM 45 CG1 ILE A 4 7.182 -8.576 14.823 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.293 -7.685 12.725 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.623 -7.175 15.252 1.00 0.00 C ATOM 0 H ILE A 4 6.834 -11.235 13.798 1.00 0.00 H new ATOM 0 HA ILE A 4 5.800 -8.829 12.529 1.00 0.00 H new ATOM 0 HB ILE A 4 8.511 -9.633 13.544 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.094 -8.638 14.834 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.550 -9.312 15.538 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.068 -7.246 13.353 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.726 -7.984 11.770 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.506 -6.951 12.552 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.239 -6.962 16.250 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.712 -7.124 15.263 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.233 -6.439 14.549 1.00 0.00 H new ATOM 59 N LYS A 5 7.811 -10.922 10.932 1.00 0.00 N ATOM 60 CA LYS A 5 8.286 -11.297 9.611 1.00 0.00 C ATOM 61 C LYS A 5 7.095 -11.393 8.654 1.00 0.00 C ATOM 62 O LYS A 5 7.256 -11.043 7.476 1.00 0.00 O ATOM 63 CB LYS A 5 9.120 -12.578 9.686 1.00 0.00 C ATOM 64 CG LYS A 5 8.725 -13.420 10.900 1.00 0.00 C ATOM 65 CD LYS A 5 8.870 -14.913 10.602 1.00 0.00 C ATOM 66 CE LYS A 5 10.243 -15.428 11.041 1.00 0.00 C ATOM 67 NZ LYS A 5 10.627 -16.609 10.250 1.00 0.00 N ATOM 0 H LYS A 5 8.112 -11.548 11.679 1.00 0.00 H new ATOM 0 HA LYS A 5 8.953 -10.532 9.214 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.981 -13.160 8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.178 -12.324 9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.351 -13.153 11.751 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.695 -13.200 11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.087 -15.468 11.118 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.735 -15.089 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.989 -14.643 10.919 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.220 -15.684 12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.561 -16.946 10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.924 -17.363 10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.668 -16.354 9.243 1.00 0.00 H new ATOM 81 N LYS A 6 5.944 -11.860 9.170 1.00 0.00 N ATOM 82 CA LYS A 6 4.741 -12.001 8.367 1.00 0.00 C ATOM 83 C LYS A 6 3.974 -10.677 8.369 1.00 0.00 C ATOM 84 O LYS A 6 3.324 -10.371 7.359 1.00 0.00 O ATOM 85 CB LYS A 6 3.912 -13.193 8.849 1.00 0.00 C ATOM 86 CG LYS A 6 4.814 -14.316 9.365 1.00 0.00 C ATOM 87 CD LYS A 6 4.135 -15.678 9.212 1.00 0.00 C ATOM 88 CE LYS A 6 3.729 -15.929 7.759 1.00 0.00 C ATOM 89 NZ LYS A 6 3.594 -17.372 7.502 1.00 0.00 N ATOM 0 H LYS A 6 5.833 -12.144 10.143 1.00 0.00 H new ATOM 0 HA LYS A 6 4.998 -12.219 7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.235 -12.873 9.641 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.294 -13.565 8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.756 -14.312 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.055 -14.141 10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.812 -16.465 9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.254 -15.723 9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.785 -15.426 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.475 -15.503 7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.318 -17.524 6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.503 -17.844 7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.866 -17.770 8.129 1.00 0.00 H new ATOM 103 N LYS A 7 4.065 -9.930 9.485 1.00 0.00 N ATOM 104 CA LYS A 7 3.384 -8.654 9.613 1.00 0.00 C ATOM 105 C LYS A 7 3.710 -7.781 8.399 1.00 0.00 C ATOM 106 O LYS A 7 2.787 -7.157 7.857 1.00 0.00 O ATOM 107 CB LYS A 7 3.726 -7.996 10.952 1.00 0.00 C ATOM 108 CG LYS A 7 3.020 -6.647 11.097 1.00 0.00 C ATOM 109 CD LYS A 7 1.536 -6.764 10.743 1.00 0.00 C ATOM 110 CE LYS A 7 0.757 -5.543 11.235 1.00 0.00 C ATOM 111 NZ LYS A 7 -0.143 -5.047 10.181 1.00 0.00 N ATOM 0 H LYS A 7 4.608 -10.200 10.306 1.00 0.00 H new ATOM 0 HA LYS A 7 2.304 -8.799 9.621 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.432 -8.654 11.770 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.804 -7.856 11.027 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.126 -6.285 12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.496 -5.912 10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.423 -6.861 9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.122 -7.668 11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.179 -5.806 12.121 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.451 -4.756 11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.294 -4.026 10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.284 -5.223 9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.056 -5.542 10.243 1.00 0.00 H new ATOM 125 N MET A 8 4.996 -7.757 8.003 1.00 0.00 N ATOM 126 CA MET A 8 5.435 -6.969 6.864 1.00 0.00 C ATOM 127 C MET A 8 5.031 -7.680 5.571 1.00 0.00 C ATOM 128 O MET A 8 4.952 -7.011 4.531 1.00 0.00 O ATOM 129 CB MET A 8 6.954 -6.790 6.895 1.00 0.00 C ATOM 130 CG MET A 8 7.662 -8.139 7.028 1.00 0.00 C ATOM 131 SD MET A 8 9.372 -7.892 7.591 1.00 0.00 S ATOM 132 CE MET A 8 10.144 -7.360 6.035 1.00 0.00 C ATOM 0 H MET A 8 5.741 -8.279 8.464 1.00 0.00 H new ATOM 0 HA MET A 8 4.964 -5.987 6.909 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.284 -6.291 5.984 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.231 -6.146 7.730 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.126 -8.772 7.735 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.658 -8.657 6.069 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.056 -6.805 6.253 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.387 -8.235 5.432 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.453 -6.721 5.486 1.00 0.00 H new ATOM 142 N GLN A 9 4.788 -8.999 5.660 1.00 0.00 N ATOM 143 CA GLN A 9 4.396 -9.789 4.506 1.00 0.00 C ATOM 144 C GLN A 9 2.942 -9.473 4.146 1.00 0.00 C ATOM 145 O GLN A 9 2.588 -9.593 2.964 1.00 0.00 O ATOM 146 CB GLN A 9 4.585 -11.286 4.759 1.00 0.00 C ATOM 147 CG GLN A 9 6.049 -11.693 4.574 1.00 0.00 C ATOM 148 CD GLN A 9 6.161 -13.160 4.153 1.00 0.00 C ATOM 149 OE1 GLN A 9 5.580 -13.598 3.174 1.00 0.00 O ATOM 150 NE2 GLN A 9 6.940 -13.891 4.946 1.00 0.00 N ATOM 0 H GLN A 9 4.860 -9.531 6.527 1.00 0.00 H new ATOM 0 HA GLN A 9 5.040 -9.525 3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.261 -11.531 5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.956 -11.856 4.075 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.514 -11.058 3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.594 -11.535 5.504 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.397 -13.460 5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.080 -14.882 4.750 1.00 0.00 H new ATOM 159 N MET A 10 2.144 -9.083 5.155 1.00 0.00 N ATOM 160 CA MET A 10 0.743 -8.755 4.947 1.00 0.00 C ATOM 161 C MET A 10 0.634 -7.331 4.399 1.00 0.00 C ATOM 162 O MET A 10 -0.203 -7.102 3.513 1.00 0.00 O ATOM 163 CB MET A 10 -0.030 -8.857 6.264 1.00 0.00 C ATOM 164 CG MET A 10 0.791 -9.592 7.325 1.00 0.00 C ATOM 165 SD MET A 10 -0.204 -9.825 8.827 1.00 0.00 S ATOM 166 CE MET A 10 -1.874 -9.724 8.119 1.00 0.00 C ATOM 0 H MET A 10 2.457 -8.990 6.121 1.00 0.00 H new ATOM 0 HA MET A 10 0.315 -9.460 4.234 1.00 0.00 H new ATOM 0 HB2 MET A 10 -0.281 -7.858 6.621 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.971 -9.382 6.098 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.116 -10.559 6.940 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.691 -9.023 7.559 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.610 -9.953 8.889 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.048 -8.717 7.739 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.967 -10.441 7.303 1.00 0.00 H new ATOM 176 N LEU A 11 1.469 -6.418 4.928 1.00 0.00 N ATOM 177 CA LEU A 11 1.465 -5.031 4.494 1.00 0.00 C ATOM 178 C LEU A 11 2.201 -4.916 3.157 1.00 0.00 C ATOM 179 O LEU A 11 1.902 -3.983 2.398 1.00 0.00 O ATOM 180 CB LEU A 11 2.035 -4.126 5.589 1.00 0.00 C ATOM 181 CG LEU A 11 1.298 -4.148 6.928 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.152 -3.524 8.035 1.00 0.00 C ATOM 183 CD2 LEU A 11 -0.071 -3.475 6.813 1.00 0.00 C ATOM 0 H LEU A 11 2.151 -6.628 5.657 1.00 0.00 H new ATOM 0 HA LEU A 11 0.444 -4.688 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.073 -4.410 5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.043 -3.101 5.218 1.00 0.00 H new ATOM 0 HG LEU A 11 1.123 -5.188 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.604 -3.552 8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.081 -4.085 8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.380 -2.489 7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.573 -3.505 7.780 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.058 -2.438 6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.675 -4.002 6.074 1.00 0.00 H new ATOM 195 N LYS A 12 3.132 -5.853 2.900 1.00 0.00 N ATOM 196 CA LYS A 12 3.900 -5.856 1.668 1.00 0.00 C ATOM 197 C LYS A 12 3.041 -6.426 0.537 1.00 0.00 C ATOM 198 O LYS A 12 3.200 -5.979 -0.608 1.00 0.00 O ATOM 199 CB LYS A 12 5.226 -6.594 1.865 1.00 0.00 C ATOM 200 CG LYS A 12 6.090 -6.516 0.604 1.00 0.00 C ATOM 201 CD LYS A 12 7.435 -5.849 0.904 1.00 0.00 C ATOM 202 CE LYS A 12 7.440 -4.392 0.437 1.00 0.00 C ATOM 203 NZ LYS A 12 8.289 -4.235 -0.754 1.00 0.00 N ATOM 0 H LYS A 12 3.362 -6.614 3.539 1.00 0.00 H new ATOM 0 HA LYS A 12 4.167 -4.838 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.766 -6.161 2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.032 -7.637 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.257 -7.518 0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.564 -5.953 -0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.636 -5.892 1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.236 -6.397 0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.423 -4.073 0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.804 -3.749 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.041 -3.352 -1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.288 -4.202 -0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.140 -5.040 -1.395 1.00 0.00 H new ATOM 217 N LEU A 13 2.160 -7.385 0.876 1.00 0.00 N ATOM 218 CA LEU A 13 1.286 -8.007 -0.104 1.00 0.00 C ATOM 219 C LEU A 13 0.188 -7.019 -0.501 1.00 0.00 C ATOM 220 O LEU A 13 -0.134 -6.945 -1.696 1.00 0.00 O ATOM 221 CB LEU A 13 0.753 -9.340 0.426 1.00 0.00 C ATOM 222 CG LEU A 13 0.287 -10.343 -0.632 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.727 -11.328 -0.045 1.00 0.00 C ATOM 224 CD2 LEU A 13 -0.261 -9.625 -1.866 1.00 0.00 C ATOM 0 H LEU A 13 2.043 -7.738 1.826 1.00 0.00 H new ATOM 0 HA LEU A 13 1.840 -8.249 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.534 -9.809 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.082 -9.135 1.096 1.00 0.00 H new ATOM 0 HG LEU A 13 1.151 -10.924 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.042 -12.030 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.268 -11.876 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.595 -10.781 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.585 -10.361 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.108 -9.002 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.519 -8.999 -2.299 1.00 0.00 H new ATOM 236 N ASP A 14 -0.358 -6.293 0.491 1.00 0.00 N ATOM 237 CA ASP A 14 -1.408 -5.320 0.247 1.00 0.00 C ATOM 238 C ASP A 14 -0.841 -4.159 -0.572 1.00 0.00 C ATOM 239 O ASP A 14 -1.601 -3.556 -1.345 1.00 0.00 O ATOM 240 CB ASP A 14 -1.951 -4.754 1.560 1.00 0.00 C ATOM 241 CG ASP A 14 -3.468 -4.562 1.603 1.00 0.00 C ATOM 242 OD1 ASP A 14 -4.147 -5.637 1.825 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.976 -3.443 1.435 1.00 0.00 O ATOM 0 H ASP A 14 -0.080 -6.371 1.469 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.214 -5.821 -0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.661 -5.420 2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.473 -3.793 1.749 1.00 0.00 H new ATOM 248 N ASN A 15 0.460 -3.872 -0.389 1.00 0.00 N ATOM 249 CA ASN A 15 1.118 -2.793 -1.106 1.00 0.00 C ATOM 250 C ASN A 15 1.132 -3.113 -2.601 1.00 0.00 C ATOM 251 O ASN A 15 0.758 -2.237 -3.396 1.00 0.00 O ATOM 252 CB ASN A 15 2.568 -2.630 -0.643 1.00 0.00 C ATOM 253 CG ASN A 15 3.027 -1.176 -0.781 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.504 -0.744 -1.816 1.00 0.00 O ATOM 255 ND2 ASN A 15 2.855 -0.450 0.321 1.00 0.00 N ATOM 0 H ASN A 15 1.068 -4.380 0.253 1.00 0.00 H new ATOM 0 HA ASN A 15 0.570 -1.872 -0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.660 -2.947 0.396 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.217 -3.278 -1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.129 0.532 0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.449 -0.876 1.154 1.00 0.00 H new ATOM 262 N TYR A 16 1.555 -4.341 -2.951 1.00 0.00 N ATOM 263 CA TYR A 16 1.596 -4.706 -4.356 1.00 0.00 C ATOM 264 C TYR A 16 0.182 -4.639 -4.938 1.00 0.00 C ATOM 265 O TYR A 16 0.050 -4.230 -6.101 1.00 0.00 O ATOM 266 CB TYR A 16 2.218 -6.105 -4.522 1.00 0.00 C ATOM 267 CG TYR A 16 3.535 -6.302 -3.785 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.489 -5.258 -3.749 1.00 0.00 C ATOM 269 CD2 TYR A 16 3.812 -7.523 -3.127 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.709 -5.434 -3.065 1.00 0.00 C ATOM 271 CE2 TYR A 16 5.034 -7.698 -2.443 1.00 0.00 C ATOM 272 CZ TYR A 16 5.984 -6.654 -2.412 1.00 0.00 C ATOM 273 OH TYR A 16 7.167 -6.821 -1.750 1.00 0.00 O ATOM 0 H TYR A 16 1.860 -5.065 -2.300 1.00 0.00 H new ATOM 0 HA TYR A 16 2.224 -4.004 -4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.504 -6.850 -4.170 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.379 -6.294 -5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.282 -4.323 -4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.087 -8.323 -3.148 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.434 -4.634 -3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.243 -8.632 -1.942 1.00 0.00 H new ATOM 0 HH TYR A 16 7.505 -7.728 -1.907 1.00 0.00 H new ATOM 283 N HIS A 17 -0.825 -5.040 -4.141 1.00 0.00 N ATOM 284 CA HIS A 17 -2.208 -5.031 -4.585 1.00 0.00 C ATOM 285 C HIS A 17 -2.680 -3.585 -4.742 1.00 0.00 C ATOM 286 O HIS A 17 -3.503 -3.325 -5.632 1.00 0.00 O ATOM 287 CB HIS A 17 -3.093 -5.844 -3.638 1.00 0.00 C ATOM 288 CG HIS A 17 -4.330 -5.113 -3.174 1.00 0.00 C ATOM 289 ND1 HIS A 17 -5.489 -5.047 -3.928 1.00 0.00 N ATOM 290 CD2 HIS A 17 -4.577 -4.417 -2.027 1.00 0.00 C ATOM 291 CE1 HIS A 17 -6.386 -4.341 -3.256 1.00 0.00 C ATOM 292 NE2 HIS A 17 -5.819 -3.951 -2.077 1.00 0.00 N ATOM 0 H HIS A 17 -0.694 -5.373 -3.186 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.285 -5.514 -5.559 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.394 -6.764 -4.139 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.506 -6.133 -2.766 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.880 -4.270 -1.215 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.390 -4.114 -3.583 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.274 -3.394 -1.354 1.00 0.00 H new ATOM 300 N LEU A 18 -2.157 -2.685 -3.889 1.00 0.00 N ATOM 301 CA LEU A 18 -2.522 -1.280 -3.933 1.00 0.00 C ATOM 302 C LEU A 18 -1.808 -0.607 -5.107 1.00 0.00 C ATOM 303 O LEU A 18 -2.455 0.168 -5.826 1.00 0.00 O ATOM 304 CB LEU A 18 -2.250 -0.612 -2.583 1.00 0.00 C ATOM 305 CG LEU A 18 -3.170 -1.024 -1.433 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.501 -0.774 -0.079 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.527 -0.325 -1.539 1.00 0.00 C ATOM 0 H LEU A 18 -1.479 -2.919 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.593 -1.171 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.221 -0.828 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.325 0.468 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.353 -2.096 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.176 -1.075 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.581 -1.354 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.269 0.286 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.162 -0.635 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.384 0.755 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.003 -0.596 -2.481 1.00 0.00 H new ATOM 319 N GLU A 19 -0.508 -0.912 -5.274 1.00 0.00 N ATOM 320 CA GLU A 19 0.284 -0.341 -6.351 1.00 0.00 C ATOM 321 C GLU A 19 -0.189 -0.919 -7.686 1.00 0.00 C ATOM 322 O GLU A 19 -0.151 -0.192 -8.690 1.00 0.00 O ATOM 323 CB GLU A 19 1.778 -0.594 -6.143 1.00 0.00 C ATOM 324 CG GLU A 19 2.564 0.719 -6.174 1.00 0.00 C ATOM 325 CD GLU A 19 3.963 0.506 -6.758 1.00 0.00 C ATOM 326 OE1 GLU A 19 4.143 0.594 -7.981 1.00 0.00 O ATOM 327 OE2 GLU A 19 4.882 0.243 -5.891 1.00 0.00 O ATOM 0 H GLU A 19 0.006 -1.553 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 19 0.142 0.740 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.937 -1.095 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.149 -1.263 -6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.025 1.456 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.645 1.123 -5.165 1.00 0.00 H new ATOM 334 N ASN A 20 -0.619 -2.194 -7.674 1.00 0.00 N ATOM 335 CA ASN A 20 -1.093 -2.858 -8.876 1.00 0.00 C ATOM 336 C ASN A 20 -2.404 -2.212 -9.327 1.00 0.00 C ATOM 337 O ASN A 20 -2.641 -2.141 -10.542 1.00 0.00 O ATOM 338 CB ASN A 20 -1.363 -4.341 -8.615 1.00 0.00 C ATOM 339 CG ASN A 20 -0.124 -5.187 -8.924 1.00 0.00 C ATOM 340 OD1 ASN A 20 0.671 -4.873 -9.795 1.00 0.00 O ATOM 341 ND2 ASN A 20 -0.007 -6.272 -8.166 1.00 0.00 N ATOM 0 H ASN A 20 -0.643 -2.776 -6.837 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.323 -2.760 -9.641 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.655 -4.484 -7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.199 -4.676 -9.229 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.785 -6.902 -8.295 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.709 -6.475 -7.455 1.00 0.00 H new ATOM 348 N GLU A 21 -3.218 -1.760 -8.356 1.00 0.00 N ATOM 349 CA GLU A 21 -4.492 -1.126 -8.652 1.00 0.00 C ATOM 350 C GLU A 21 -4.253 0.334 -9.040 1.00 0.00 C ATOM 351 O GLU A 21 -4.836 0.782 -10.038 1.00 0.00 O ATOM 352 CB GLU A 21 -5.458 -1.227 -7.470 1.00 0.00 C ATOM 353 CG GLU A 21 -6.883 -1.512 -7.949 1.00 0.00 C ATOM 354 CD GLU A 21 -7.137 -3.018 -8.049 1.00 0.00 C ATOM 355 OE1 GLU A 21 -6.183 -3.802 -8.167 1.00 0.00 O ATOM 356 OE2 GLU A 21 -8.379 -3.366 -7.998 1.00 0.00 O ATOM 0 H GLU A 21 -3.005 -1.828 -7.361 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.956 -1.649 -9.488 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.132 -2.019 -6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.441 -0.297 -6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.599 -1.064 -7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.043 -1.047 -8.922 1.00 0.00 H new ATOM 363 N VAL A 22 -3.413 1.035 -8.258 1.00 0.00 N ATOM 364 CA VAL A 22 -3.100 2.431 -8.518 1.00 0.00 C ATOM 365 C VAL A 22 -2.482 2.558 -9.913 1.00 0.00 C ATOM 366 O VAL A 22 -2.705 3.589 -10.563 1.00 0.00 O ATOM 367 CB VAL A 22 -2.199 2.981 -7.412 1.00 0.00 C ATOM 368 CG1 VAL A 22 -1.411 4.197 -7.901 1.00 0.00 C ATOM 369 CG2 VAL A 22 -3.013 3.321 -6.161 1.00 0.00 C ATOM 0 H VAL A 22 -2.943 0.646 -7.441 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.007 3.035 -8.508 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.483 2.204 -7.145 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.778 4.569 -7.095 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.788 3.910 -8.748 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.104 4.980 -8.209 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.349 3.710 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.762 4.073 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.508 2.422 -5.794 1.00 0.00 H new ATOM 379 N ALA A 23 -1.731 1.526 -10.335 1.00 0.00 N ATOM 380 CA ALA A 23 -1.089 1.524 -11.638 1.00 0.00 C ATOM 381 C ALA A 23 -2.160 1.585 -12.729 1.00 0.00 C ATOM 382 O ALA A 23 -1.834 1.999 -13.852 1.00 0.00 O ATOM 383 CB ALA A 23 -0.343 0.203 -11.843 1.00 0.00 C ATOM 0 H ALA A 23 -1.560 0.686 -9.783 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.411 2.376 -11.690 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.138 0.205 -12.821 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.414 0.088 -11.067 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.049 -0.626 -11.787 1.00 0.00 H new ATOM 389 N ARG A 24 -3.394 1.178 -12.385 1.00 0.00 N ATOM 390 CA ARG A 24 -4.499 1.188 -13.329 1.00 0.00 C ATOM 391 C ARG A 24 -5.224 2.532 -13.246 1.00 0.00 C ATOM 392 O ARG A 24 -5.596 3.068 -14.300 1.00 0.00 O ATOM 393 CB ARG A 24 -5.494 0.061 -13.043 1.00 0.00 C ATOM 394 CG ARG A 24 -4.793 -1.140 -12.403 1.00 0.00 C ATOM 395 CD ARG A 24 -5.796 -2.248 -12.073 1.00 0.00 C ATOM 396 NE ARG A 24 -5.107 -3.558 -12.033 1.00 0.00 N ATOM 397 CZ ARG A 24 -5.045 -4.413 -13.076 1.00 0.00 C ATOM 398 NH1 ARG A 24 -5.636 -4.075 -14.229 1.00 0.00 N ATOM 399 NH2 ARG A 24 -4.401 -5.582 -12.958 1.00 0.00 N ATOM 0 H ARG A 24 -3.641 0.839 -11.455 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.091 1.036 -14.328 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.279 0.424 -12.380 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.977 -0.247 -13.970 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.031 -1.524 -13.081 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.281 -0.825 -11.494 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.269 -2.047 -11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.589 -2.267 -12.821 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.651 -3.832 -11.163 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.124 -3.183 -14.310 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.598 -4.710 -15.027 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.953 -5.831 -12.076 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.358 -6.223 -13.750 1.00 0.00 H new ATOM 413 N LEU A 25 -5.409 3.041 -12.015 1.00 0.00 N ATOM 414 CA LEU A 25 -6.083 4.311 -11.799 1.00 0.00 C ATOM 415 C LEU A 25 -5.197 5.447 -12.311 1.00 0.00 C ATOM 416 O LEU A 25 -5.738 6.408 -12.879 1.00 0.00 O ATOM 417 CB LEU A 25 -6.488 4.459 -10.331 1.00 0.00 C ATOM 418 CG LEU A 25 -7.612 3.540 -9.848 1.00 0.00 C ATOM 419 CD1 LEU A 25 -7.105 2.109 -9.659 1.00 0.00 C ATOM 420 CD2 LEU A 25 -8.262 4.090 -8.578 1.00 0.00 C ATOM 0 H LEU A 25 -5.096 2.582 -11.159 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.012 4.351 -12.367 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.609 4.280 -9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.792 5.492 -10.161 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.384 3.510 -10.617 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.923 1.476 -9.315 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.726 1.729 -10.608 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.305 2.101 -8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.057 3.418 -8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.513 4.169 -7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.680 5.076 -8.781 1.00 0.00 H new ATOM 432 N LYS A 26 -3.874 5.320 -12.104 1.00 0.00 N ATOM 433 CA LYS A 26 -2.926 6.329 -12.542 1.00 0.00 C ATOM 434 C LYS A 26 -3.029 6.497 -14.060 1.00 0.00 C ATOM 435 O LYS A 26 -2.643 7.562 -14.562 1.00 0.00 O ATOM 436 CB LYS A 26 -1.516 5.987 -12.056 1.00 0.00 C ATOM 437 CG LYS A 26 -1.128 6.845 -10.850 1.00 0.00 C ATOM 438 CD LYS A 26 -2.304 6.996 -9.883 1.00 0.00 C ATOM 439 CE LYS A 26 -3.042 8.315 -10.120 1.00 0.00 C ATOM 440 NZ LYS A 26 -3.045 9.132 -8.896 1.00 0.00 N ATOM 0 H LYS A 26 -3.448 4.522 -11.634 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.166 7.295 -12.097 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.466 4.932 -11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.801 6.144 -12.864 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.283 6.390 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.802 7.829 -11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.993 6.161 -10.010 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.942 6.957 -8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.564 8.865 -10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.067 8.114 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.688 9.940 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.365 8.554 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.083 9.481 -8.709 1.00 0.00 H new ATOM 454 N LYS A 27 -3.537 5.458 -14.746 1.00 0.00 N ATOM 455 CA LYS A 27 -3.687 5.491 -16.192 1.00 0.00 C ATOM 456 C LYS A 27 -4.942 6.288 -16.551 1.00 0.00 C ATOM 457 O LYS A 27 -5.096 6.645 -17.729 1.00 0.00 O ATOM 458 CB LYS A 27 -3.676 4.072 -16.763 1.00 0.00 C ATOM 459 CG LYS A 27 -2.815 3.996 -18.025 1.00 0.00 C ATOM 460 CD LYS A 27 -2.788 2.573 -18.587 1.00 0.00 C ATOM 461 CE LYS A 27 -2.292 1.578 -17.535 1.00 0.00 C ATOM 462 NZ LYS A 27 -1.268 0.689 -18.108 1.00 0.00 N ATOM 0 H LYS A 27 -3.848 4.589 -14.312 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.841 6.002 -16.652 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.293 3.378 -16.015 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.695 3.761 -16.994 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.206 4.681 -18.778 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.800 4.320 -17.797 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.787 2.290 -18.918 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.140 2.536 -19.462 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.878 2.117 -16.683 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.128 0.986 -17.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.942 0.020 -17.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.674 0.161 -18.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.463 1.257 -18.442 1.00 0.00 H new ATOM 476 N LEU A 28 -5.800 6.547 -15.548 1.00 0.00 N ATOM 477 CA LEU A 28 -7.028 7.295 -15.758 1.00 0.00 C ATOM 478 C LEU A 28 -6.911 8.660 -15.076 1.00 0.00 C ATOM 479 O LEU A 28 -7.460 9.635 -15.609 1.00 0.00 O ATOM 480 CB LEU A 28 -8.237 6.480 -15.299 1.00 0.00 C ATOM 481 CG LEU A 28 -9.415 6.418 -16.274 1.00 0.00 C ATOM 482 CD1 LEU A 28 -9.310 5.192 -17.183 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.749 6.465 -15.527 1.00 0.00 C ATOM 0 H LEU A 28 -5.654 6.243 -14.585 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.184 7.481 -16.821 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.907 5.462 -15.094 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.593 6.895 -14.356 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.374 7.299 -16.915 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.159 5.172 -17.866 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.384 5.242 -17.756 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.312 4.287 -16.575 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.569 6.419 -16.244 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.815 5.617 -14.846 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.815 7.393 -14.958 1.00 0.00 H new ATOM 495 N VAL A 29 -6.209 8.703 -13.929 1.00 0.00 N ATOM 496 CA VAL A 29 -6.025 9.936 -13.184 1.00 0.00 C ATOM 497 C VAL A 29 -4.582 10.418 -13.353 1.00 0.00 C ATOM 498 O VAL A 29 -4.387 11.513 -13.901 1.00 0.00 O ATOM 499 CB VAL A 29 -6.417 9.726 -11.720 1.00 0.00 C ATOM 500 CG1 VAL A 29 -6.687 11.064 -11.028 1.00 0.00 C ATOM 501 CG2 VAL A 29 -7.625 8.795 -11.604 1.00 0.00 C ATOM 0 H VAL A 29 -5.763 7.889 -13.507 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.677 10.718 -13.572 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.578 9.250 -11.213 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.964 10.887 -9.989 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.789 11.680 -11.064 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.501 11.579 -11.537 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.883 8.663 -10.553 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.472 9.231 -12.133 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.382 7.827 -12.043 1.00 0.00 H new ATOM 511 N GLY A 30 -3.617 9.605 -12.890 1.00 0.00 N ATOM 512 CA GLY A 30 -2.209 9.947 -12.990 1.00 0.00 C ATOM 513 C GLY A 30 -1.876 10.301 -14.440 1.00 0.00 C ATOM 514 O GLY A 30 -0.777 10.820 -14.683 1.00 0.00 O ATOM 0 H GLY A 30 -3.799 8.706 -12.443 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.980 10.789 -12.336 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.595 9.110 -12.658 1.00 0.00 H new ATOM 518 N GLU A 31 -2.816 10.018 -15.360 1.00 0.00 N ATOM 519 CA GLU A 31 -2.623 10.306 -16.771 1.00 0.00 C ATOM 520 C GLU A 31 -2.396 11.808 -16.955 1.00 0.00 C ATOM 521 O GLU A 31 -3.340 12.580 -16.729 1.00 0.00 O ATOM 522 CB GLU A 31 -3.809 9.824 -17.609 1.00 0.00 C ATOM 523 CG GLU A 31 -3.332 9.052 -18.840 1.00 0.00 C ATOM 524 CD GLU A 31 -4.409 9.032 -19.927 1.00 0.00 C ATOM 525 OE1 GLU A 31 -5.018 10.073 -20.216 1.00 0.00 O ATOM 526 OE2 GLU A 31 -4.603 7.884 -20.481 1.00 0.00 O ATOM 0 H GLU A 31 -3.715 9.589 -15.139 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.745 9.764 -17.122 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.452 9.187 -17.002 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.410 10.678 -17.921 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.424 9.510 -19.232 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.077 8.031 -18.557 1.00 0.00 H new ATOM 533 N ARG A 32 -1.169 12.187 -17.354 1.00 0.00 N ATOM 534 CA ARG A 32 -0.825 13.583 -17.566 1.00 0.00 C ATOM 535 C ARG A 32 -1.343 14.031 -18.934 1.00 0.00 C ATOM 536 O ARG A 32 -2.550 14.156 -19.133 1.00 0.00 O ATOM 537 CB ARG A 32 0.687 13.806 -17.503 1.00 0.00 C ATOM 538 CG ARG A 32 1.083 14.521 -16.210 1.00 0.00 C ATOM 539 CD ARG A 32 1.264 13.523 -15.065 1.00 0.00 C ATOM 540 NE ARG A 32 1.464 14.247 -13.789 1.00 0.00 N ATOM 541 CZ ARG A 32 2.317 13.851 -12.820 1.00 0.00 C ATOM 542 NH1 ARG A 32 3.038 12.736 -13.004 1.00 0.00 N ATOM 543 NH2 ARG A 32 2.442 14.563 -11.692 1.00 0.00 N ATOM 0 H ARG A 32 -0.405 11.536 -17.534 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.289 14.169 -16.772 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.202 12.848 -17.565 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.007 14.396 -18.362 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.009 15.074 -16.365 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.317 15.250 -15.944 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.389 12.877 -14.993 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.120 12.879 -15.265 1.00 0.00 H new ATOM 0 HE ARG A 32 0.924 15.098 -13.632 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.938 12.200 -13.866 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.687 12.423 -12.282 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.891 15.411 -11.560 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.089 14.257 -10.965 1.00 0.00 H new TER 557 ARG A 32 ATOM 558 N MET B 1 16.144 -7.075 12.328 1.00 0.00 N ATOM 559 CA MET B 1 14.947 -6.764 13.090 1.00 0.00 C ATOM 560 C MET B 1 14.860 -5.250 13.299 1.00 0.00 C ATOM 561 O MET B 1 13.750 -4.707 13.215 1.00 0.00 O ATOM 562 CB MET B 1 14.984 -7.466 14.449 1.00 0.00 C ATOM 563 CG MET B 1 13.582 -7.905 14.878 1.00 0.00 C ATOM 564 SD MET B 1 13.597 -8.415 16.621 1.00 0.00 S ATOM 565 CE MET B 1 12.558 -7.110 17.341 1.00 0.00 C ATOM 0 H1 MET B 1 16.098 -8.059 11.995 1.00 0.00 H new ATOM 0 H2 MET B 1 16.211 -6.436 11.510 1.00 0.00 H new ATOM 0 H3 MET B 1 16.982 -6.953 12.932 1.00 0.00 H new ATOM 0 HA MET B 1 14.074 -7.113 12.538 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.641 -8.334 14.396 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.404 -6.794 15.198 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.876 -7.086 14.736 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.243 -8.730 14.252 1.00 0.00 H new ATOM 0 HE1 MET B 1 12.030 -7.503 18.209 1.00 0.00 H new ATOM 0 HE2 MET B 1 13.185 -6.273 17.646 1.00 0.00 H new ATOM 0 HE3 MET B 1 11.835 -6.770 16.600 1.00 0.00 H new ATOM 575 N ASP B 2 16.014 -4.611 13.563 1.00 0.00 N ATOM 576 CA ASP B 2 16.067 -3.176 13.781 1.00 0.00 C ATOM 577 C ASP B 2 15.368 -2.462 12.623 1.00 0.00 C ATOM 578 O ASP B 2 14.711 -1.441 12.870 1.00 0.00 O ATOM 579 CB ASP B 2 17.514 -2.681 13.838 1.00 0.00 C ATOM 580 CG ASP B 2 18.511 -3.667 14.448 1.00 0.00 C ATOM 581 OD1 ASP B 2 18.446 -3.984 15.644 1.00 0.00 O ATOM 582 OD2 ASP B 2 19.398 -4.123 13.629 1.00 0.00 O ATOM 0 H ASP B 2 16.918 -5.078 13.628 1.00 0.00 H new ATOM 0 HA ASP B 2 15.574 -2.960 14.729 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.839 -2.438 12.826 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.543 -1.756 14.413 1.00 0.00 H new ATOM 587 N ALA B 3 15.519 -3.006 11.401 1.00 0.00 N ATOM 588 CA ALA B 3 14.907 -2.424 10.219 1.00 0.00 C ATOM 589 C ALA B 3 13.518 -3.034 10.017 1.00 0.00 C ATOM 590 O ALA B 3 12.727 -2.460 9.255 1.00 0.00 O ATOM 591 CB ALA B 3 15.723 -2.797 8.980 1.00 0.00 C ATOM 0 H ALA B 3 16.063 -3.849 11.219 1.00 0.00 H new ATOM 0 HA ALA B 3 14.858 -1.343 10.352 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.261 -2.359 8.095 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.739 -2.417 9.085 1.00 0.00 H new ATOM 0 HB3 ALA B 3 15.751 -3.882 8.876 1.00 0.00 H new ATOM 597 N ILE B 4 13.255 -4.168 10.692 1.00 0.00 N ATOM 598 CA ILE B 4 11.974 -4.847 10.587 1.00 0.00 C ATOM 599 C ILE B 4 10.921 -4.065 11.372 1.00 0.00 C ATOM 600 O ILE B 4 9.827 -3.842 10.834 1.00 0.00 O ATOM 601 CB ILE B 4 12.106 -6.308 11.020 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.057 -7.072 10.095 1.00 0.00 C ATOM 603 CG2 ILE B 4 10.734 -6.979 11.111 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.439 -8.397 9.646 1.00 0.00 C ATOM 0 H ILE B 4 13.922 -4.625 11.314 1.00 0.00 H new ATOM 0 HA ILE B 4 11.641 -4.875 9.549 1.00 0.00 H new ATOM 0 HB ILE B 4 12.542 -6.329 12.019 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.290 -6.461 9.223 1.00 0.00 H new ATOM 0 HG13 ILE B 4 13.998 -7.262 10.612 1.00 0.00 H new ATOM 0 HG21 ILE B 4 10.856 -8.017 11.421 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.119 -6.453 11.841 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.248 -6.946 10.136 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.135 -8.919 8.990 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.230 -9.015 10.519 1.00 0.00 H new ATOM 0 HD13 ILE B 4 11.511 -8.202 9.109 1.00 0.00 H new ATOM 616 N LYS B 5 11.265 -3.669 12.612 1.00 0.00 N ATOM 617 CA LYS B 5 10.355 -2.919 13.461 1.00 0.00 C ATOM 618 C LYS B 5 9.889 -1.665 12.719 1.00 0.00 C ATOM 619 O LYS B 5 8.740 -1.249 12.929 1.00 0.00 O ATOM 620 CB LYS B 5 11.005 -2.627 14.815 1.00 0.00 C ATOM 621 CG LYS B 5 12.436 -2.117 14.638 1.00 0.00 C ATOM 622 CD LYS B 5 13.248 -2.307 15.921 1.00 0.00 C ATOM 623 CE LYS B 5 13.349 -3.789 16.291 1.00 0.00 C ATOM 624 NZ LYS B 5 14.635 -4.068 16.951 1.00 0.00 N ATOM 0 H LYS B 5 12.171 -3.863 13.038 1.00 0.00 H new ATOM 0 HA LYS B 5 9.465 -3.509 13.681 1.00 0.00 H new ATOM 0 HB2 LYS B 5 10.415 -1.885 15.353 1.00 0.00 H new ATOM 0 HB3 LYS B 5 11.010 -3.532 15.423 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.917 -2.649 13.817 1.00 0.00 H new ATOM 0 HG3 LYS B 5 12.419 -1.061 14.367 1.00 0.00 H new ATOM 0 HD2 LYS B 5 14.247 -1.893 15.788 1.00 0.00 H new ATOM 0 HD3 LYS B 5 12.780 -1.756 16.737 1.00 0.00 H new ATOM 0 HE2 LYS B 5 12.527 -4.062 16.953 1.00 0.00 H new ATOM 0 HE3 LYS B 5 13.253 -4.401 15.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 15.208 -4.691 16.346 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 15.145 -3.175 17.109 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 14.462 -4.535 17.864 1.00 0.00 H new ATOM 638 N LYS B 6 10.774 -1.097 11.881 1.00 0.00 N ATOM 639 CA LYS B 6 10.455 0.098 11.119 1.00 0.00 C ATOM 640 C LYS B 6 9.813 -0.307 9.790 1.00 0.00 C ATOM 641 O LYS B 6 9.023 0.483 9.251 1.00 0.00 O ATOM 642 CB LYS B 6 11.695 0.979 10.959 1.00 0.00 C ATOM 643 CG LYS B 6 12.646 0.809 12.145 1.00 0.00 C ATOM 644 CD LYS B 6 13.374 2.117 12.456 1.00 0.00 C ATOM 645 CE LYS B 6 14.162 2.610 11.240 1.00 0.00 C ATOM 646 NZ LYS B 6 13.320 3.475 10.397 1.00 0.00 N ATOM 0 H LYS B 6 11.715 -1.456 11.722 1.00 0.00 H new ATOM 0 HA LYS B 6 9.727 0.708 11.654 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.212 0.721 10.034 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.395 2.024 10.876 1.00 0.00 H new ATOM 0 HG2 LYS B 6 12.085 0.484 13.021 1.00 0.00 H new ATOM 0 HG3 LYS B 6 13.373 0.028 11.923 1.00 0.00 H new ATOM 0 HD2 LYS B 6 12.652 2.876 12.758 1.00 0.00 H new ATOM 0 HD3 LYS B 6 14.051 1.969 13.297 1.00 0.00 H new ATOM 0 HE2 LYS B 6 15.044 3.160 11.569 1.00 0.00 H new ATOM 0 HE3 LYS B 6 14.516 1.759 10.659 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 13.870 4.303 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 13.002 2.943 9.562 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 12.493 3.791 10.942 1.00 0.00 H new ATOM 660 N LYS B 7 10.157 -1.510 9.296 1.00 0.00 N ATOM 661 CA LYS B 7 9.619 -2.011 8.044 1.00 0.00 C ATOM 662 C LYS B 7 8.090 -2.002 8.111 1.00 0.00 C ATOM 663 O LYS B 7 7.462 -1.469 7.184 1.00 0.00 O ATOM 664 CB LYS B 7 10.212 -3.383 7.716 1.00 0.00 C ATOM 665 CG LYS B 7 9.711 -3.888 6.362 1.00 0.00 C ATOM 666 CD LYS B 7 9.689 -2.759 5.329 1.00 0.00 C ATOM 667 CE LYS B 7 9.798 -3.313 3.908 1.00 0.00 C ATOM 668 NZ LYS B 7 11.011 -4.134 3.766 1.00 0.00 N ATOM 0 H LYS B 7 10.808 -2.146 9.756 1.00 0.00 H new ATOM 0 HA LYS B 7 9.907 -1.360 7.218 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.300 -3.319 7.704 1.00 0.00 H new ATOM 0 HB3 LYS B 7 9.943 -4.095 8.496 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.354 -4.695 6.010 1.00 0.00 H new ATOM 0 HG3 LYS B 7 8.710 -4.304 6.473 1.00 0.00 H new ATOM 0 HD2 LYS B 7 8.767 -2.187 5.430 1.00 0.00 H new ATOM 0 HD3 LYS B 7 10.513 -2.071 5.519 1.00 0.00 H new ATOM 0 HE2 LYS B 7 8.917 -3.912 3.676 1.00 0.00 H new ATOM 0 HE3 LYS B 7 9.822 -2.491 3.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 11.494 -3.889 2.878 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 11.648 -3.954 4.568 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 10.749 -5.140 3.752 1.00 0.00 H new ATOM 682 N MET B 8 7.531 -2.583 9.188 1.00 0.00 N ATOM 683 CA MET B 8 6.091 -2.640 9.371 1.00 0.00 C ATOM 684 C MET B 8 5.541 -1.219 9.511 1.00 0.00 C ATOM 685 O MET B 8 4.369 -1.004 9.168 1.00 0.00 O ATOM 686 CB MET B 8 5.745 -3.448 10.623 1.00 0.00 C ATOM 687 CG MET B 8 6.672 -3.083 11.784 1.00 0.00 C ATOM 688 SD MET B 8 5.690 -2.663 13.255 1.00 0.00 S ATOM 689 CE MET B 8 5.169 -4.324 13.772 1.00 0.00 C ATOM 0 H MET B 8 8.066 -3.017 9.940 1.00 0.00 H new ATOM 0 HA MET B 8 5.643 -3.126 8.504 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.709 -3.260 10.907 1.00 0.00 H new ATOM 0 HB3 MET B 8 5.828 -4.513 10.407 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.336 -3.918 12.006 1.00 0.00 H new ATOM 0 HG3 MET B 8 7.303 -2.239 11.505 1.00 0.00 H new ATOM 0 HE1 MET B 8 4.101 -4.319 13.988 1.00 0.00 H new ATOM 0 HE2 MET B 8 5.374 -5.035 12.972 1.00 0.00 H new ATOM 0 HE3 MET B 8 5.719 -4.616 14.667 1.00 0.00 H new ATOM 699 N GLN B 9 6.384 -0.294 10.004 1.00 0.00 N ATOM 700 CA GLN B 9 5.984 1.091 10.187 1.00 0.00 C ATOM 701 C GLN B 9 5.975 1.798 8.831 1.00 0.00 C ATOM 702 O GLN B 9 5.256 2.798 8.691 1.00 0.00 O ATOM 703 CB GLN B 9 6.901 1.814 11.176 1.00 0.00 C ATOM 704 CG GLN B 9 6.754 1.234 12.585 1.00 0.00 C ATOM 705 CD GLN B 9 7.537 2.065 13.604 1.00 0.00 C ATOM 706 OE1 GLN B 9 7.051 3.041 14.153 1.00 0.00 O ATOM 707 NE2 GLN B 9 8.772 1.626 13.825 1.00 0.00 N ATOM 0 H GLN B 9 7.346 -0.493 10.280 1.00 0.00 H new ATOM 0 HA GLN B 9 4.980 1.112 10.610 1.00 0.00 H new ATOM 0 HB2 GLN B 9 7.937 1.725 10.849 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.661 2.877 11.190 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.701 1.209 12.864 1.00 0.00 H new ATOM 0 HG3 GLN B 9 7.112 0.205 12.598 1.00 0.00 H new ATOM 0 HE21 GLN B 9 9.116 0.802 13.332 1.00 0.00 H new ATOM 0 HE22 GLN B 9 9.375 2.113 14.488 1.00 0.00 H new ATOM 716 N MET B 10 6.762 1.275 7.874 1.00 0.00 N ATOM 717 CA MET B 10 6.843 1.853 6.543 1.00 0.00 C ATOM 718 C MET B 10 5.729 1.272 5.671 1.00 0.00 C ATOM 719 O MET B 10 5.163 2.022 4.861 1.00 0.00 O ATOM 720 CB MET B 10 8.201 1.541 5.909 1.00 0.00 C ATOM 721 CG MET B 10 9.339 1.781 6.904 1.00 0.00 C ATOM 722 SD MET B 10 10.564 2.915 6.186 1.00 0.00 S ATOM 723 CE MET B 10 11.272 1.843 4.902 1.00 0.00 C ATOM 0 H MET B 10 7.348 0.451 8.009 1.00 0.00 H new ATOM 0 HA MET B 10 6.730 2.934 6.618 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.220 0.504 5.573 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.347 2.165 5.027 1.00 0.00 H new ATOM 0 HG2 MET B 10 8.942 2.200 7.829 1.00 0.00 H new ATOM 0 HG3 MET B 10 9.814 0.834 7.161 1.00 0.00 H new ATOM 0 HE1 MET B 10 12.071 2.374 4.384 1.00 0.00 H new ATOM 0 HE2 MET B 10 11.675 0.941 5.363 1.00 0.00 H new ATOM 0 HE3 MET B 10 10.496 1.570 4.187 1.00 0.00 H new ATOM 733 N LEU B 11 5.439 -0.028 5.849 1.00 0.00 N ATOM 734 CA LEU B 11 4.402 -0.699 5.084 1.00 0.00 C ATOM 735 C LEU B 11 3.030 -0.305 5.638 1.00 0.00 C ATOM 736 O LEU B 11 2.062 -0.296 4.864 1.00 0.00 O ATOM 737 CB LEU B 11 4.645 -2.210 5.061 1.00 0.00 C ATOM 738 CG LEU B 11 5.979 -2.665 4.467 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.075 -4.192 4.442 1.00 0.00 C ATOM 740 CD2 LEU B 11 6.200 -2.054 3.081 1.00 0.00 C ATOM 0 H LEU B 11 5.917 -0.628 6.522 1.00 0.00 H new ATOM 0 HA LEU B 11 4.430 -0.379 4.042 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.578 -2.584 6.082 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.839 -2.679 4.496 1.00 0.00 H new ATOM 0 HG LEU B 11 6.781 -2.302 5.110 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.033 -4.489 4.015 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.995 -4.578 5.458 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.266 -4.598 3.835 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.156 -2.394 2.682 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.396 -2.366 2.414 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.206 -0.967 3.159 1.00 0.00 H new ATOM 752 N LYS B 12 2.976 0.008 6.945 1.00 0.00 N ATOM 753 CA LYS B 12 1.736 0.397 7.593 1.00 0.00 C ATOM 754 C LYS B 12 1.426 1.857 7.256 1.00 0.00 C ATOM 755 O LYS B 12 0.239 2.204 7.173 1.00 0.00 O ATOM 756 CB LYS B 12 1.804 0.114 9.095 1.00 0.00 C ATOM 757 CG LYS B 12 2.777 1.068 9.789 1.00 0.00 C ATOM 758 CD LYS B 12 2.089 2.387 10.148 1.00 0.00 C ATOM 759 CE LYS B 12 2.567 2.904 11.507 1.00 0.00 C ATOM 760 NZ LYS B 12 3.958 3.377 11.418 1.00 0.00 N ATOM 0 H LYS B 12 3.786 -0.005 7.565 1.00 0.00 H new ATOM 0 HA LYS B 12 0.906 -0.201 7.217 1.00 0.00 H new ATOM 0 HB2 LYS B 12 0.812 0.218 9.534 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.119 -0.916 9.261 1.00 0.00 H new ATOM 0 HG2 LYS B 12 3.169 0.600 10.692 1.00 0.00 H new ATOM 0 HG3 LYS B 12 3.628 1.263 9.137 1.00 0.00 H new ATOM 0 HD2 LYS B 12 2.297 3.131 9.379 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.009 2.244 10.169 1.00 0.00 H new ATOM 0 HE2 LYS B 12 1.921 3.716 11.842 1.00 0.00 H new ATOM 0 HE3 LYS B 12 2.493 2.111 12.251 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 4.541 2.876 12.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 4.328 3.191 10.464 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.990 4.399 11.608 1.00 0.00 H new ATOM 774 N LEU B 13 2.482 2.669 7.071 1.00 0.00 N ATOM 775 CA LEU B 13 2.323 4.076 6.745 1.00 0.00 C ATOM 776 C LEU B 13 1.949 4.215 5.268 1.00 0.00 C ATOM 777 O LEU B 13 1.068 5.030 4.957 1.00 0.00 O ATOM 778 CB LEU B 13 3.576 4.861 7.139 1.00 0.00 C ATOM 779 CG LEU B 13 3.397 6.373 7.301 1.00 0.00 C ATOM 780 CD1 LEU B 13 4.709 7.112 7.034 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.258 6.888 6.420 1.00 0.00 C ATOM 0 H LEU B 13 3.452 2.363 7.144 1.00 0.00 H new ATOM 0 HA LEU B 13 1.507 4.511 7.322 1.00 0.00 H new ATOM 0 HB2 LEU B 13 3.953 4.457 8.078 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.343 4.685 6.385 1.00 0.00 H new ATOM 0 HG LEU B 13 3.119 6.575 8.335 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.554 8.184 7.156 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.468 6.773 7.739 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.042 6.907 6.016 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.152 7.965 6.554 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.481 6.673 5.375 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.328 6.394 6.702 1.00 0.00 H new ATOM 793 N ASP B 14 2.614 3.430 4.402 1.00 0.00 N ATOM 794 CA ASP B 14 2.351 3.466 2.974 1.00 0.00 C ATOM 795 C ASP B 14 0.938 2.945 2.705 1.00 0.00 C ATOM 796 O ASP B 14 0.292 3.448 1.774 1.00 0.00 O ATOM 797 CB ASP B 14 3.336 2.575 2.211 1.00 0.00 C ATOM 798 CG ASP B 14 3.875 3.175 0.911 1.00 0.00 C ATOM 799 OD1 ASP B 14 4.082 4.392 0.805 1.00 0.00 O ATOM 800 OD2 ASP B 14 4.087 2.323 -0.035 1.00 0.00 O ATOM 0 H ASP B 14 3.337 2.766 4.678 1.00 0.00 H new ATOM 0 HA ASP B 14 2.459 4.497 2.637 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.178 2.346 2.865 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.845 1.629 1.981 1.00 0.00 H new ATOM 805 N ASN B 15 0.494 1.965 3.512 1.00 0.00 N ATOM 806 CA ASN B 15 -0.829 1.385 3.363 1.00 0.00 C ATOM 807 C ASN B 15 -1.886 2.459 3.632 1.00 0.00 C ATOM 808 O ASN B 15 -2.794 2.613 2.803 1.00 0.00 O ATOM 809 CB ASN B 15 -1.048 0.247 4.361 1.00 0.00 C ATOM 810 CG ASN B 15 -2.198 -0.660 3.917 1.00 0.00 C ATOM 811 OD1 ASN B 15 -3.350 -0.462 4.269 1.00 0.00 O ATOM 812 ND2 ASN B 15 -1.823 -1.662 3.127 1.00 0.00 N ATOM 0 H ASN B 15 1.043 1.565 4.273 1.00 0.00 H new ATOM 0 HA ASN B 15 -0.913 0.996 2.348 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -0.134 -0.339 4.456 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.265 0.660 5.346 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -2.517 -2.323 2.777 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -0.842 -1.770 2.871 1.00 0.00 H new ATOM 819 N TYR B 16 -1.748 3.168 4.767 1.00 0.00 N ATOM 820 CA TYR B 16 -2.722 4.200 5.082 1.00 0.00 C ATOM 821 C TYR B 16 -2.740 5.238 3.959 1.00 0.00 C ATOM 822 O TYR B 16 -3.827 5.757 3.665 1.00 0.00 O ATOM 823 CB TYR B 16 -2.394 4.837 6.445 1.00 0.00 C ATOM 824 CG TYR B 16 -2.074 3.837 7.549 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.498 2.494 7.430 1.00 0.00 C ATOM 826 CD2 TYR B 16 -1.348 4.242 8.693 1.00 0.00 C ATOM 827 CE1 TYR B 16 -2.200 1.563 8.448 1.00 0.00 C ATOM 828 CE2 TYR B 16 -1.052 3.311 9.711 1.00 0.00 C ATOM 829 CZ TYR B 16 -1.478 1.970 9.590 1.00 0.00 C ATOM 830 OH TYR B 16 -1.194 1.067 10.574 1.00 0.00 O ATOM 0 H TYR B 16 -1.000 3.046 5.450 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.718 3.763 5.157 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.544 5.509 6.323 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.240 5.448 6.759 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.052 2.179 6.558 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.019 5.266 8.788 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.525 0.537 8.353 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.499 3.624 10.584 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.342 0.159 10.237 1.00 0.00 H new ATOM 840 N HIS B 17 -1.565 5.521 3.370 1.00 0.00 N ATOM 841 CA HIS B 17 -1.456 6.497 2.298 1.00 0.00 C ATOM 842 C HIS B 17 -2.049 5.909 1.017 1.00 0.00 C ATOM 843 O HIS B 17 -2.746 6.642 0.300 1.00 0.00 O ATOM 844 CB HIS B 17 -0.008 6.959 2.125 1.00 0.00 C ATOM 845 CG HIS B 17 0.472 6.947 0.692 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.344 8.036 -0.151 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.083 5.968 -0.034 1.00 0.00 C ATOM 848 CE1 HIS B 17 0.856 7.715 -1.330 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.314 6.432 -1.256 1.00 0.00 N ATOM 0 H HIS B 17 -0.682 5.081 3.627 1.00 0.00 H new ATOM 0 HA HIS B 17 -2.029 7.389 2.551 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.091 7.969 2.522 1.00 0.00 H new ATOM 0 HB3 HIS B 17 0.641 6.317 2.721 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.336 4.981 0.325 1.00 0.00 H new ATOM 0 HE1 HIS B 17 0.903 8.356 -2.198 1.00 0.00 H new ATOM 0 HE2 HIS B 17 1.760 5.915 -2.014 1.00 0.00 H new ATOM 857 N LEU B 18 -1.766 4.619 0.759 1.00 0.00 N ATOM 858 CA LEU B 18 -2.269 3.943 -0.425 1.00 0.00 C ATOM 859 C LEU B 18 -3.791 3.826 -0.333 1.00 0.00 C ATOM 860 O LEU B 18 -4.458 3.975 -1.367 1.00 0.00 O ATOM 861 CB LEU B 18 -1.559 2.602 -0.617 1.00 0.00 C ATOM 862 CG LEU B 18 -0.122 2.671 -1.139 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.553 1.300 -1.070 1.00 0.00 C ATOM 864 CD2 LEU B 18 -0.080 3.260 -2.550 1.00 0.00 C ATOM 0 H LEU B 18 -1.190 4.033 1.363 1.00 0.00 H new ATOM 0 HA LEU B 18 -2.048 4.526 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.552 2.077 0.338 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.147 1.998 -1.308 1.00 0.00 H new ATOM 0 HG LEU B 18 0.445 3.341 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.573 1.377 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.573 0.956 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -0.006 0.588 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU B 18 0.952 3.298 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.667 2.635 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.496 4.268 -2.536 1.00 0.00 H new ATOM 876 N GLU B 19 -4.303 3.566 0.883 1.00 0.00 N ATOM 877 CA GLU B 19 -5.732 3.431 1.105 1.00 0.00 C ATOM 878 C GLU B 19 -6.410 4.782 0.872 1.00 0.00 C ATOM 879 O GLU B 19 -7.363 4.836 0.081 1.00 0.00 O ATOM 880 CB GLU B 19 -6.035 2.899 2.507 1.00 0.00 C ATOM 881 CG GLU B 19 -7.300 2.036 2.505 1.00 0.00 C ATOM 882 CD GLU B 19 -8.510 2.835 2.992 1.00 0.00 C ATOM 883 OE1 GLU B 19 -8.532 3.073 4.260 1.00 0.00 O ATOM 884 OE2 GLU B 19 -9.376 3.202 2.184 1.00 0.00 O ATOM 0 H GLU B 19 -3.736 3.447 1.723 1.00 0.00 H new ATOM 0 HA GLU B 19 -6.129 2.703 0.397 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.190 2.312 2.867 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -6.161 3.733 3.197 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -7.488 1.662 1.498 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -7.152 1.166 3.145 1.00 0.00 H new ATOM 891 N ASN B 20 -5.914 5.830 1.554 1.00 0.00 N ATOM 892 CA ASN B 20 -6.468 7.167 1.422 1.00 0.00 C ATOM 893 C ASN B 20 -6.302 7.643 -0.023 1.00 0.00 C ATOM 894 O ASN B 20 -7.147 8.421 -0.489 1.00 0.00 O ATOM 895 CB ASN B 20 -5.740 8.158 2.333 1.00 0.00 C ATOM 896 CG ASN B 20 -5.684 7.640 3.772 1.00 0.00 C ATOM 897 OD1 ASN B 20 -6.481 6.820 4.195 1.00 0.00 O ATOM 898 ND2 ASN B 20 -4.699 8.164 4.497 1.00 0.00 N ATOM 0 H ASN B 20 -5.128 5.764 2.201 1.00 0.00 H new ATOM 0 HA ASN B 20 -7.520 7.125 1.703 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.728 8.323 1.962 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -6.249 9.121 2.309 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -4.577 7.883 5.470 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -4.066 8.847 4.080 1.00 0.00 H new ATOM 905 N GLU B 21 -5.233 7.174 -0.692 1.00 0.00 N ATOM 906 CA GLU B 21 -4.961 7.549 -2.069 1.00 0.00 C ATOM 907 C GLU B 21 -5.858 6.731 -3.002 1.00 0.00 C ATOM 908 O GLU B 21 -6.249 7.258 -4.054 1.00 0.00 O ATOM 909 CB GLU B 21 -3.485 7.360 -2.423 1.00 0.00 C ATOM 910 CG GLU B 21 -3.148 8.038 -3.752 1.00 0.00 C ATOM 911 CD GLU B 21 -2.090 9.126 -3.560 1.00 0.00 C ATOM 912 OE1 GLU B 21 -2.276 9.894 -2.541 1.00 0.00 O ATOM 913 OE2 GLU B 21 -1.145 9.219 -4.358 1.00 0.00 O ATOM 0 H GLU B 21 -4.549 6.534 -0.290 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.183 8.609 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.862 7.775 -1.631 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.256 6.296 -2.485 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -2.785 7.295 -4.462 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.050 8.475 -4.181 1.00 0.00 H new ATOM 920 N VAL B 22 -6.159 5.483 -2.606 1.00 0.00 N ATOM 921 CA VAL B 22 -7.001 4.604 -3.401 1.00 0.00 C ATOM 922 C VAL B 22 -8.466 5.007 -3.220 1.00 0.00 C ATOM 923 O VAL B 22 -9.222 4.934 -4.198 1.00 0.00 O ATOM 924 CB VAL B 22 -6.731 3.144 -3.029 1.00 0.00 C ATOM 925 CG1 VAL B 22 -7.985 2.289 -3.223 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.555 2.583 -3.829 1.00 0.00 C ATOM 0 H VAL B 22 -5.825 5.069 -1.736 1.00 0.00 H new ATOM 0 HA VAL B 22 -6.765 4.704 -4.461 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.463 3.111 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -7.767 1.256 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -8.786 2.669 -2.589 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.297 2.332 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.384 1.544 -3.545 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.781 2.636 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.660 3.168 -3.619 1.00 0.00 H new ATOM 936 N ALA B 23 -8.830 5.417 -1.991 1.00 0.00 N ATOM 937 CA ALA B 23 -10.191 5.827 -1.688 1.00 0.00 C ATOM 938 C ALA B 23 -10.501 7.133 -2.422 1.00 0.00 C ATOM 939 O ALA B 23 -11.688 7.429 -2.622 1.00 0.00 O ATOM 940 CB ALA B 23 -10.315 6.134 -0.195 1.00 0.00 C ATOM 0 H ALA B 23 -8.190 5.469 -1.198 1.00 0.00 H new ATOM 0 HA ALA B 23 -10.868 5.026 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -11.336 6.441 0.030 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -10.069 5.242 0.381 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.628 6.938 0.069 1.00 0.00 H new ATOM 946 N ARG B 24 -9.446 7.873 -2.804 1.00 0.00 N ATOM 947 CA ARG B 24 -9.605 9.134 -3.509 1.00 0.00 C ATOM 948 C ARG B 24 -9.551 8.881 -5.018 1.00 0.00 C ATOM 949 O ARG B 24 -10.184 9.640 -5.766 1.00 0.00 O ATOM 950 CB ARG B 24 -8.513 10.135 -3.128 1.00 0.00 C ATOM 951 CG ARG B 24 -8.933 10.971 -1.918 1.00 0.00 C ATOM 952 CD ARG B 24 -7.744 11.747 -1.347 1.00 0.00 C ATOM 953 NE ARG B 24 -8.202 12.660 -0.276 1.00 0.00 N ATOM 954 CZ ARG B 24 -7.696 13.893 -0.066 1.00 0.00 C ATOM 955 NH1 ARG B 24 -6.718 14.340 -0.865 1.00 0.00 N ATOM 956 NH2 ARG B 24 -8.166 14.661 0.926 1.00 0.00 N ATOM 0 H ARG B 24 -8.476 7.609 -2.631 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.568 9.559 -3.227 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.589 9.602 -2.903 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.305 10.791 -3.973 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -9.720 11.667 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -9.350 10.320 -1.149 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -7.002 11.053 -0.952 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -7.257 12.317 -2.138 1.00 0.00 H new ATOM 0 HE ARG B 24 -8.947 12.337 0.342 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -6.366 13.750 -1.619 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -6.325 15.270 -0.719 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -8.912 14.315 1.529 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -7.778 15.592 1.078 1.00 0.00 H new ATOM 970 N LEU B 25 -8.808 7.837 -5.427 1.00 0.00 N ATOM 971 CA LEU B 25 -8.675 7.490 -6.831 1.00 0.00 C ATOM 972 C LEU B 25 -9.887 6.663 -7.265 1.00 0.00 C ATOM 973 O LEU B 25 -10.362 6.860 -8.393 1.00 0.00 O ATOM 974 CB LEU B 25 -7.335 6.798 -7.087 1.00 0.00 C ATOM 975 CG LEU B 25 -6.095 7.693 -7.033 1.00 0.00 C ATOM 976 CD1 LEU B 25 -4.813 6.857 -7.046 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.116 8.727 -8.160 1.00 0.00 C ATOM 0 H LEU B 25 -8.294 7.225 -4.794 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.666 8.390 -7.446 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.215 6.001 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.375 6.325 -8.068 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.111 8.242 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -3.947 7.518 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.802 6.194 -6.181 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -4.775 6.263 -7.959 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.224 9.350 -8.099 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.136 8.216 -9.122 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.003 9.353 -8.063 1.00 0.00 H new ATOM 989 N LYS B 26 -10.355 5.770 -6.376 1.00 0.00 N ATOM 990 CA LYS B 26 -11.500 4.922 -6.665 1.00 0.00 C ATOM 991 C LYS B 26 -12.716 5.801 -6.966 1.00 0.00 C ATOM 992 O LYS B 26 -13.625 5.332 -7.665 1.00 0.00 O ATOM 993 CB LYS B 26 -11.729 3.924 -5.530 1.00 0.00 C ATOM 994 CG LYS B 26 -10.796 2.719 -5.663 1.00 0.00 C ATOM 995 CD LYS B 26 -11.495 1.560 -6.380 1.00 0.00 C ATOM 996 CE LYS B 26 -10.916 1.355 -7.781 1.00 0.00 C ATOM 997 NZ LYS B 26 -10.960 -0.068 -8.153 1.00 0.00 N ATOM 0 H LYS B 26 -9.949 5.625 -5.452 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.313 4.319 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.562 4.414 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.766 3.588 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -9.901 3.006 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.470 2.396 -4.674 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.381 0.646 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.564 1.762 -6.450 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.481 1.944 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -9.887 1.714 -7.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -10.563 -0.190 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -10.402 -0.622 -7.472 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -11.946 -0.399 -8.143 1.00 0.00 H new ATOM 1011 N LYS B 27 -12.709 7.039 -6.439 1.00 0.00 N ATOM 1012 CA LYS B 27 -13.803 7.971 -6.649 1.00 0.00 C ATOM 1013 C LYS B 27 -13.686 8.583 -8.047 1.00 0.00 C ATOM 1014 O LYS B 27 -14.657 9.205 -8.501 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.846 9.009 -5.526 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.283 9.250 -5.056 1.00 0.00 C ATOM 1017 CD LYS B 27 -15.610 10.745 -5.036 1.00 0.00 C ATOM 1018 CE LYS B 27 -14.707 11.490 -4.051 1.00 0.00 C ATOM 1019 NZ LYS B 27 -15.171 11.283 -2.669 1.00 0.00 N ATOM 0 H LYS B 27 -11.950 7.406 -5.865 1.00 0.00 H new ATOM 0 HA LYS B 27 -14.759 7.450 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.238 8.669 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.412 9.946 -5.875 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.977 8.731 -5.717 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -15.418 8.831 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -15.486 11.162 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -16.654 10.889 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -13.680 11.139 -4.153 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -14.704 12.555 -4.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -14.547 11.795 -2.013 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -16.143 11.640 -2.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -15.151 10.268 -2.444 1.00 0.00 H new ATOM 1033 N LEU B 28 -12.519 8.398 -8.689 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.281 8.926 -10.021 1.00 0.00 C ATOM 1035 C LEU B 28 -12.260 7.775 -11.028 1.00 0.00 C ATOM 1036 O LEU B 28 -12.667 7.990 -12.178 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.011 9.781 -10.039 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.143 11.166 -10.672 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.714 12.174 -9.672 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -9.808 11.633 -11.255 1.00 0.00 C ATOM 0 H LEU B 28 -11.731 7.884 -8.296 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.092 9.592 -10.316 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.666 9.904 -9.013 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.235 9.232 -10.573 1.00 0.00 H new ATOM 0 HG LEU B 28 -11.849 11.096 -11.499 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.798 13.151 -10.148 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.700 11.844 -9.345 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -11.051 12.246 -8.809 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -9.931 12.621 -11.699 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -9.062 11.682 -10.462 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -9.479 10.930 -12.020 1.00 0.00 H new ATOM 1052 N VAL B 29 -11.796 6.593 -10.582 1.00 0.00 N ATOM 1053 CA VAL B 29 -11.726 5.421 -11.437 1.00 0.00 C ATOM 1054 C VAL B 29 -12.806 4.422 -11.015 1.00 0.00 C ATOM 1055 O VAL B 29 -13.718 4.167 -11.815 1.00 0.00 O ATOM 1056 CB VAL B 29 -10.316 4.829 -11.398 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -10.110 3.829 -12.538 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -9.257 5.932 -11.438 1.00 0.00 C ATOM 0 H VAL B 29 -11.466 6.437 -9.630 1.00 0.00 H new ATOM 0 HA VAL B 29 -11.922 5.692 -12.474 1.00 0.00 H new ATOM 0 HB VAL B 29 -10.204 4.292 -10.456 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -9.100 3.423 -12.488 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -10.832 3.018 -12.445 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -10.251 4.333 -13.494 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -8.264 5.484 -11.409 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -9.368 6.510 -12.356 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -9.384 6.589 -10.578 1.00 0.00 H new ATOM 1068 N GLY B 30 -12.683 3.884 -9.788 1.00 0.00 N ATOM 1069 CA GLY B 30 -13.641 2.924 -9.269 1.00 0.00 C ATOM 1070 C GLY B 30 -15.051 3.509 -9.372 1.00 0.00 C ATOM 1071 O GLY B 30 -16.016 2.764 -9.152 1.00 0.00 O ATOM 0 H GLY B 30 -11.923 4.106 -9.145 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -13.580 1.992 -9.831 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -13.409 2.686 -8.231 1.00 0.00 H new ATOM 1075 N GLU B 31 -15.140 4.811 -9.699 1.00 0.00 N ATOM 1076 CA GLU B 31 -16.420 5.486 -9.829 1.00 0.00 C ATOM 1077 C GLU B 31 -17.261 4.774 -10.889 1.00 0.00 C ATOM 1078 O GLU B 31 -16.873 4.798 -12.066 1.00 0.00 O ATOM 1079 CB GLU B 31 -16.242 6.966 -10.174 1.00 0.00 C ATOM 1080 CG GLU B 31 -17.127 7.846 -9.288 1.00 0.00 C ATOM 1081 CD GLU B 31 -17.357 9.215 -9.931 1.00 0.00 C ATOM 1082 OE1 GLU B 31 -17.652 9.294 -11.133 1.00 0.00 O ATOM 1083 OE2 GLU B 31 -17.221 10.220 -9.135 1.00 0.00 O ATOM 0 H GLU B 31 -14.332 5.408 -9.876 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.937 5.443 -8.870 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -15.197 7.250 -10.047 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -16.492 7.131 -11.222 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -18.085 7.353 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.659 7.973 -8.312 1.00 0.00 H new ATOM 1090 N ARG B 32 -18.381 4.164 -10.459 1.00 0.00 N ATOM 1091 CA ARG B 32 -19.267 3.453 -11.366 1.00 0.00 C ATOM 1092 C ARG B 32 -19.481 4.293 -12.627 1.00 0.00 C ATOM 1093 O ARG B 32 -19.481 5.522 -12.564 1.00 0.00 O ATOM 1094 CB ARG B 32 -20.623 3.165 -10.718 1.00 0.00 C ATOM 1095 CG ARG B 32 -20.492 3.058 -9.197 1.00 0.00 C ATOM 1096 CD ARG B 32 -19.474 1.983 -8.809 1.00 0.00 C ATOM 1097 NE ARG B 32 -20.118 0.650 -8.815 1.00 0.00 N ATOM 1098 CZ ARG B 32 -20.425 -0.047 -7.701 1.00 0.00 C ATOM 1099 NH1 ARG B 32 -20.139 0.482 -6.504 1.00 0.00 N ATOM 1100 NH2 ARG B 32 -21.008 -1.251 -7.792 1.00 0.00 N ATOM 0 H ARG B 32 -18.684 4.156 -9.485 1.00 0.00 H new ATOM 0 HA ARG B 32 -18.800 2.500 -11.616 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -21.327 3.958 -10.971 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -21.031 2.237 -11.118 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -20.185 4.020 -8.786 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -21.462 2.820 -8.761 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -18.637 1.995 -9.507 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -19.068 2.195 -7.820 1.00 0.00 H new ATOM 0 HE ARG B 32 -20.344 0.232 -9.718 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -19.696 1.399 -6.444 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -20.365 -0.032 -5.652 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -21.222 -1.646 -8.708 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -21.237 -1.772 -6.946 1.00 0.00 H new TER 1114 ARG B 32