USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 GLN : amide:sc= -0.0024 X(o=-0.0024,f=0) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 TYR OH : rot -45:sc= 1.17 USER MOD Set 2.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 64 SER OG : rot 180:sc= 0.915 USER MOD Set 3.1: A 1 MET N :NH3+ -120:sc= 1.42 (180deg=-0.16) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 153:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -134:sc= -1.72 (180deg=-7.68!) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.141) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.27 K(o=-2.3,f=-3.1!) USER MOD Single : A 15 ASN : amide:sc= -1.94! C(o=-1.9!,f=-3.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.19 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.39 K(o=-1.4,f=-5.7!) USER MOD Single : A 37 ASN : amide:sc= -0.0782 X(o=-0.078,f=-0.31) USER MOD Single : A 42 MET CE :methyl 180:sc= -0.45 (180deg=-0.45) USER MOD Single : A 44 ASN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= -0.0073 (180deg=-0.203) USER MOD Single : A 67 TYR OH : rot -133:sc= 0.126 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 150:sc=-0.00573 (180deg=-1.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.492 -10.457 8.651 1.00 0.00 N ATOM 2 CA MET A 1 -11.066 -10.705 8.775 1.00 0.00 C ATOM 3 C MET A 1 -10.514 -10.099 10.068 1.00 0.00 C ATOM 4 O MET A 1 -11.249 -9.462 10.821 1.00 0.00 O ATOM 5 CB MET A 1 -10.335 -10.100 7.575 1.00 0.00 C ATOM 6 CG MET A 1 -10.520 -8.582 7.529 1.00 0.00 C ATOM 7 SD MET A 1 -12.033 -8.177 6.672 1.00 0.00 S ATOM 8 CE MET A 1 -12.012 -6.399 6.829 1.00 0.00 C ATOM 0 H1 MET A 1 -12.999 -11.364 8.603 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.824 -9.918 9.476 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.675 -9.912 7.785 1.00 0.00 H new ATOM 0 HA MET A 1 -10.906 -11.783 8.803 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.273 -10.339 7.633 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.712 -10.544 6.654 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.547 -8.180 8.542 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.672 -8.119 7.025 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.997 -6.049 7.138 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.273 -6.108 7.576 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.753 -5.952 5.869 1.00 0.00 H new ATOM 18 N ASP A 2 -9.226 -10.318 10.283 1.00 0.00 N ATOM 19 CA ASP A 2 -8.567 -9.801 11.471 1.00 0.00 C ATOM 20 C ASP A 2 -7.516 -8.769 11.058 1.00 0.00 C ATOM 21 O ASP A 2 -6.849 -8.931 10.038 1.00 0.00 O ATOM 22 CB ASP A 2 -7.857 -10.919 12.237 1.00 0.00 C ATOM 23 CG ASP A 2 -8.439 -11.228 13.618 1.00 0.00 C ATOM 24 OD1 ASP A 2 -8.026 -10.540 14.576 1.00 0.00 O ATOM 25 OD2 ASP A 2 -9.285 -12.146 13.684 1.00 0.00 O ATOM 0 H ASP A 2 -8.620 -10.846 9.655 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.327 -9.352 12.110 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.887 -11.827 11.635 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.807 -10.649 12.354 1.00 0.00 H new ATOM 30 N ILE A 3 -7.403 -7.729 11.872 1.00 0.00 N ATOM 31 CA ILE A 3 -6.444 -6.670 11.604 1.00 0.00 C ATOM 32 C ILE A 3 -5.552 -6.473 12.831 1.00 0.00 C ATOM 33 O ILE A 3 -5.994 -6.670 13.962 1.00 0.00 O ATOM 34 CB ILE A 3 -7.165 -5.397 11.156 1.00 0.00 C ATOM 35 CG1 ILE A 3 -7.842 -5.599 9.799 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.210 -4.201 11.148 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.461 -4.293 9.296 1.00 0.00 C ATOM 0 H ILE A 3 -7.959 -7.597 12.717 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.791 -6.947 10.777 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.951 -5.177 11.878 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.113 -5.963 9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.615 -6.363 9.884 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.747 -3.309 10.826 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.815 -4.044 12.152 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.387 -4.397 10.461 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.936 -4.464 8.330 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.207 -3.945 10.010 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.682 -3.539 9.189 1.00 0.00 H new ATOM 49 N LYS A 4 -4.313 -6.086 12.566 1.00 0.00 N ATOM 50 CA LYS A 4 -3.355 -5.860 13.635 1.00 0.00 C ATOM 51 C LYS A 4 -2.612 -4.548 13.379 1.00 0.00 C ATOM 52 O LYS A 4 -1.867 -4.432 12.407 1.00 0.00 O ATOM 53 CB LYS A 4 -2.431 -7.070 13.791 1.00 0.00 C ATOM 54 CG LYS A 4 -1.123 -6.863 13.025 1.00 0.00 C ATOM 55 CD LYS A 4 -0.199 -8.072 13.182 1.00 0.00 C ATOM 56 CE LYS A 4 -0.876 -9.348 12.679 1.00 0.00 C ATOM 57 NZ LYS A 4 0.110 -10.446 12.561 1.00 0.00 N ATOM 0 H LYS A 4 -3.950 -5.923 11.627 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.868 -5.755 14.591 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.216 -7.234 14.847 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.933 -7.965 13.425 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.338 -6.700 11.969 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.621 -5.967 13.391 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.724 -7.903 12.628 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.076 -8.191 14.230 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.672 -9.639 13.364 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.341 -9.163 11.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.390 -11.349 12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.726 -10.273 11.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.688 -10.488 13.425 1.00 0.00 H new ATOM 71 N ILE A 5 -2.841 -3.592 14.268 1.00 0.00 N ATOM 72 CA ILE A 5 -2.202 -2.292 14.150 1.00 0.00 C ATOM 73 C ILE A 5 -0.696 -2.447 14.367 1.00 0.00 C ATOM 74 O ILE A 5 -0.248 -2.692 15.486 1.00 0.00 O ATOM 75 CB ILE A 5 -2.859 -1.284 15.095 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.344 -1.113 14.769 1.00 0.00 C ATOM 77 CG2 ILE A 5 -2.111 0.050 15.080 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.194 -1.158 16.040 1.00 0.00 C ATOM 0 H ILE A 5 -3.460 -3.692 15.073 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.340 -1.890 13.146 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.796 -1.677 16.110 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.500 -0.164 14.256 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.663 -1.900 14.086 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.599 0.748 15.760 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.081 -0.107 15.399 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.120 0.461 14.070 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.245 -1.034 15.779 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.054 -2.118 16.537 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.889 -0.354 16.710 1.00 0.00 H new ATOM 90 N ILE A 6 0.045 -2.299 13.278 1.00 0.00 N ATOM 91 CA ILE A 6 1.492 -2.419 13.336 1.00 0.00 C ATOM 92 C ILE A 6 2.073 -1.204 14.061 1.00 0.00 C ATOM 93 O ILE A 6 2.569 -1.322 15.180 1.00 0.00 O ATOM 94 CB ILE A 6 2.068 -2.633 11.934 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.641 -3.988 11.367 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.589 -2.465 11.935 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.628 -5.086 11.769 1.00 0.00 C ATOM 0 H ILE A 6 -0.330 -2.097 12.351 1.00 0.00 H new ATOM 0 HA ILE A 6 1.778 -3.299 13.911 1.00 0.00 H new ATOM 0 HB ILE A 6 1.660 -1.866 11.276 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.644 -4.240 11.729 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.580 -3.929 10.280 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.973 -2.622 10.927 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.844 -1.459 12.268 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.035 -3.194 12.611 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.301 -6.039 11.353 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.619 -4.843 11.385 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.668 -5.159 12.856 1.00 0.00 H new ATOM 109 N LYS A 7 1.991 -0.062 13.393 1.00 0.00 N ATOM 110 CA LYS A 7 2.502 1.175 13.959 1.00 0.00 C ATOM 111 C LYS A 7 1.650 2.346 13.468 1.00 0.00 C ATOM 112 O LYS A 7 1.013 2.258 12.419 1.00 0.00 O ATOM 113 CB LYS A 7 3.993 1.328 13.654 1.00 0.00 C ATOM 114 CG LYS A 7 4.847 0.789 14.804 1.00 0.00 C ATOM 115 CD LYS A 7 6.324 0.729 14.408 1.00 0.00 C ATOM 116 CE LYS A 7 6.924 2.133 14.314 1.00 0.00 C ATOM 117 NZ LYS A 7 8.401 2.063 14.257 1.00 0.00 N ATOM 0 H LYS A 7 1.578 0.032 12.465 1.00 0.00 H new ATOM 0 HA LYS A 7 2.423 1.158 15.046 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.236 0.795 12.735 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.227 2.379 13.484 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.727 1.426 15.680 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.501 -0.206 15.084 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.877 0.142 15.141 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.427 0.221 13.449 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.544 2.639 13.427 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.615 2.725 15.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.792 3.025 14.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.760 1.599 15.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.691 1.516 13.421 1.00 0.00 H new ATOM 131 N ASP A 8 1.666 3.417 14.248 1.00 0.00 N ATOM 132 CA ASP A 8 0.903 4.605 13.905 1.00 0.00 C ATOM 133 C ASP A 8 1.837 5.816 13.881 1.00 0.00 C ATOM 134 O ASP A 8 2.335 6.242 14.922 1.00 0.00 O ATOM 135 CB ASP A 8 -0.192 4.873 14.939 1.00 0.00 C ATOM 136 CG ASP A 8 -0.668 6.325 15.015 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.680 6.975 13.947 1.00 0.00 O ATOM 138 OD2 ASP A 8 -1.010 6.752 16.139 1.00 0.00 O ATOM 0 H ASP A 8 2.196 3.487 15.117 1.00 0.00 H new ATOM 0 HA ASP A 8 0.446 4.442 12.929 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.048 4.237 14.713 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.176 4.575 15.921 1.00 0.00 H new ATOM 143 N LYS A 9 2.046 6.337 12.681 1.00 0.00 N ATOM 144 CA LYS A 9 2.912 7.491 12.507 1.00 0.00 C ATOM 145 C LYS A 9 2.053 8.743 12.315 1.00 0.00 C ATOM 146 O LYS A 9 0.992 8.683 11.695 1.00 0.00 O ATOM 147 CB LYS A 9 3.907 7.248 11.370 1.00 0.00 C ATOM 148 CG LYS A 9 4.533 8.563 10.900 1.00 0.00 C ATOM 149 CD LYS A 9 6.009 8.370 10.542 1.00 0.00 C ATOM 150 CE LYS A 9 6.435 9.336 9.435 1.00 0.00 C ATOM 151 NZ LYS A 9 6.651 10.693 9.986 1.00 0.00 N ATOM 0 H LYS A 9 1.631 5.981 11.820 1.00 0.00 H new ATOM 0 HA LYS A 9 3.516 7.652 13.400 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.690 6.568 11.706 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.400 6.763 10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.991 8.939 10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.440 9.315 11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.625 8.530 11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.177 7.343 10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.351 8.978 8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.670 9.370 8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.940 11.336 9.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.768 11.038 10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.397 10.659 10.710 1.00 0.00 H new ATOM 165 N LYS A 10 2.543 9.847 12.859 1.00 0.00 N ATOM 166 CA LYS A 10 1.834 11.111 12.755 1.00 0.00 C ATOM 167 C LYS A 10 2.629 12.066 11.862 1.00 0.00 C ATOM 168 O LYS A 10 3.857 12.002 11.818 1.00 0.00 O ATOM 169 CB LYS A 10 1.537 11.674 14.146 1.00 0.00 C ATOM 170 CG LYS A 10 0.038 11.918 14.330 1.00 0.00 C ATOM 171 CD LYS A 10 -0.217 13.001 15.380 1.00 0.00 C ATOM 172 CE LYS A 10 -1.473 13.807 15.044 1.00 0.00 C ATOM 173 NZ LYS A 10 -1.918 14.589 16.219 1.00 0.00 N ATOM 0 H LYS A 10 3.423 9.892 13.373 1.00 0.00 H new ATOM 0 HA LYS A 10 0.863 10.965 12.281 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.892 10.979 14.907 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.081 12.608 14.288 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.405 12.217 13.380 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.450 10.992 14.632 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.328 12.541 16.362 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.643 13.668 15.436 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.269 14.478 14.210 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.269 13.134 14.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.772 15.130 15.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.132 13.943 17.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.163 15.245 16.506 1.00 0.00 H new ATOM 187 N ASN A 11 1.897 12.929 11.174 1.00 0.00 N ATOM 188 CA ASN A 11 2.519 13.896 10.285 1.00 0.00 C ATOM 189 C ASN A 11 1.613 15.122 10.158 1.00 0.00 C ATOM 190 O ASN A 11 0.682 15.131 9.355 1.00 0.00 O ATOM 191 CB ASN A 11 2.718 13.309 8.886 1.00 0.00 C ATOM 192 CG ASN A 11 3.692 14.160 8.068 1.00 0.00 C ATOM 193 OD1 ASN A 11 4.326 15.075 8.566 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.774 13.808 6.788 1.00 0.00 N ATOM 0 H ASN A 11 0.879 12.979 11.214 1.00 0.00 H new ATOM 0 HA ASN A 11 3.488 14.165 10.705 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.098 12.290 8.966 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.759 13.252 8.372 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.396 14.315 6.159 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.215 13.031 6.436 1.00 0.00 H new ATOM 201 N PRO A 12 1.927 16.156 10.985 1.00 0.00 N ATOM 202 CA PRO A 12 1.152 17.385 10.974 1.00 0.00 C ATOM 203 C PRO A 12 1.479 18.228 9.740 1.00 0.00 C ATOM 204 O PRO A 12 0.739 19.150 9.400 1.00 0.00 O ATOM 205 CB PRO A 12 1.500 18.082 12.279 1.00 0.00 C ATOM 206 CG PRO A 12 2.799 17.451 12.754 1.00 0.00 C ATOM 207 CD PRO A 12 3.023 16.181 11.950 1.00 0.00 C ATOM 0 HA PRO A 12 0.079 17.205 10.909 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.619 19.155 12.129 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.708 17.949 13.016 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.631 18.141 12.616 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.746 17.224 13.819 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.991 16.195 11.450 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.007 15.299 12.590 1.00 0.00 H new ATOM 215 N LEU A 13 2.588 17.881 9.103 1.00 0.00 N ATOM 216 CA LEU A 13 3.022 18.595 7.914 1.00 0.00 C ATOM 217 C LEU A 13 1.987 18.405 6.804 1.00 0.00 C ATOM 218 O LEU A 13 1.376 19.371 6.349 1.00 0.00 O ATOM 219 CB LEU A 13 4.435 18.164 7.517 1.00 0.00 C ATOM 220 CG LEU A 13 5.499 18.259 8.613 1.00 0.00 C ATOM 221 CD1 LEU A 13 6.856 17.771 8.104 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.576 19.678 9.180 1.00 0.00 C ATOM 0 H LEU A 13 3.199 17.115 9.388 1.00 0.00 H new ATOM 0 HA LEU A 13 3.084 19.665 8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.394 17.133 7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.756 18.775 6.673 1.00 0.00 H new ATOM 0 HG LEU A 13 5.207 17.600 9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.594 17.849 8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.773 16.731 7.787 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.170 18.384 7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.339 19.718 9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.833 20.375 8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.611 19.953 9.605 1.00 0.00 H new ATOM 234 N LEU A 14 1.821 17.154 6.401 1.00 0.00 N ATOM 235 CA LEU A 14 0.870 16.825 5.353 1.00 0.00 C ATOM 236 C LEU A 14 -0.547 16.846 5.931 1.00 0.00 C ATOM 237 O LEU A 14 -1.524 16.922 5.187 1.00 0.00 O ATOM 238 CB LEU A 14 1.243 15.499 4.687 1.00 0.00 C ATOM 239 CG LEU A 14 2.692 15.371 4.214 1.00 0.00 C ATOM 240 CD1 LEU A 14 3.015 13.928 3.820 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.988 16.355 3.079 1.00 0.00 C ATOM 0 H LEU A 14 2.329 16.356 6.782 1.00 0.00 H new ATOM 0 HA LEU A 14 0.903 17.573 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.039 14.692 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.587 15.349 3.830 1.00 0.00 H new ATOM 0 HG LEU A 14 3.347 15.632 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.051 13.865 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.869 13.275 4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.355 13.615 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.025 16.243 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.327 16.149 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.824 17.374 3.429 1.00 0.00 H new ATOM 253 N ASN A 15 -0.613 16.776 7.252 1.00 0.00 N ATOM 254 CA ASN A 15 -1.894 16.785 7.939 1.00 0.00 C ATOM 255 C ASN A 15 -2.561 15.417 7.785 1.00 0.00 C ATOM 256 O ASN A 15 -3.784 15.325 7.696 1.00 0.00 O ATOM 257 CB ASN A 15 -2.831 17.837 7.342 1.00 0.00 C ATOM 258 CG ASN A 15 -3.379 18.764 8.429 1.00 0.00 C ATOM 259 OD1 ASN A 15 -3.210 19.972 8.395 1.00 0.00 O ATOM 260 ND2 ASN A 15 -4.043 18.133 9.393 1.00 0.00 N ATOM 0 H ASN A 15 0.200 16.713 7.865 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.712 17.017 8.988 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.296 18.423 6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.657 17.344 6.829 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.448 18.663 10.165 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.148 17.119 9.361 1.00 0.00 H new ATOM 267 N ARG A 16 -1.726 14.388 7.757 1.00 0.00 N ATOM 268 CA ARG A 16 -2.219 13.028 7.616 1.00 0.00 C ATOM 269 C ARG A 16 -1.622 12.131 8.701 1.00 0.00 C ATOM 270 O ARG A 16 -0.926 12.611 9.594 1.00 0.00 O ATOM 271 CB ARG A 16 -1.869 12.456 6.241 1.00 0.00 C ATOM 272 CG ARG A 16 -0.374 12.144 6.142 1.00 0.00 C ATOM 273 CD ARG A 16 -0.052 11.413 4.836 1.00 0.00 C ATOM 274 NE ARG A 16 0.029 12.383 3.721 1.00 0.00 N ATOM 275 CZ ARG A 16 0.291 12.046 2.451 1.00 0.00 C ATOM 276 NH1 ARG A 16 0.498 10.762 2.127 1.00 0.00 N ATOM 277 NH2 ARG A 16 0.345 12.992 1.504 1.00 0.00 N ATOM 0 H ARG A 16 -0.712 14.469 7.830 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.304 13.056 7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.446 11.549 6.063 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.148 13.169 5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.199 13.070 6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.070 11.531 6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.892 10.877 4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.821 10.669 4.627 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.124 13.369 3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.456 10.041 2.847 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.697 10.506 1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.187 13.969 1.750 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.545 12.735 0.537 1.00 0.00 H new ATOM 291 N ARG A 17 -1.917 10.844 8.589 1.00 0.00 N ATOM 292 CA ARG A 17 -1.418 9.876 9.550 1.00 0.00 C ATOM 293 C ARG A 17 -1.126 8.543 8.858 1.00 0.00 C ATOM 294 O ARG A 17 -2.016 7.945 8.255 1.00 0.00 O ATOM 295 CB ARG A 17 -2.427 9.647 10.677 1.00 0.00 C ATOM 296 CG ARG A 17 -1.759 9.781 12.047 1.00 0.00 C ATOM 297 CD ARG A 17 -2.804 9.941 13.153 1.00 0.00 C ATOM 298 NE ARG A 17 -2.983 8.657 13.869 1.00 0.00 N ATOM 299 CZ ARG A 17 -3.519 8.548 15.092 1.00 0.00 C ATOM 300 NH1 ARG A 17 -3.931 9.644 15.744 1.00 0.00 N ATOM 301 NH2 ARG A 17 -3.643 7.343 15.664 1.00 0.00 N ATOM 0 H ARG A 17 -2.495 10.449 7.847 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.499 10.277 9.977 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.241 10.367 10.593 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.868 8.655 10.579 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.147 8.901 12.245 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.090 10.641 12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.490 10.716 13.852 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.753 10.263 12.724 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.679 7.803 13.402 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.837 10.562 15.309 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.339 9.560 16.675 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.329 6.509 15.168 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.051 7.260 16.595 1.00 0.00 H new ATOM 315 N GLU A 18 0.124 8.116 8.968 1.00 0.00 N ATOM 316 CA GLU A 18 0.544 6.865 8.360 1.00 0.00 C ATOM 317 C GLU A 18 0.393 5.714 9.356 1.00 0.00 C ATOM 318 O GLU A 18 1.174 5.598 10.300 1.00 0.00 O ATOM 319 CB GLU A 18 1.981 6.961 7.846 1.00 0.00 C ATOM 320 CG GLU A 18 2.180 8.222 7.003 1.00 0.00 C ATOM 321 CD GLU A 18 2.075 7.906 5.510 1.00 0.00 C ATOM 322 OE1 GLU A 18 3.030 7.287 4.992 1.00 0.00 O ATOM 323 OE2 GLU A 18 1.043 8.290 4.920 1.00 0.00 O ATOM 0 H GLU A 18 0.859 8.614 9.469 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.100 6.665 7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.672 6.970 8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.217 6.080 7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.432 8.967 7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.156 8.657 7.218 1.00 0.00 H new ATOM 330 N LEU A 19 -0.617 4.892 9.113 1.00 0.00 N ATOM 331 CA LEU A 19 -0.880 3.753 9.977 1.00 0.00 C ATOM 332 C LEU A 19 -0.583 2.460 9.215 1.00 0.00 C ATOM 333 O LEU A 19 -0.986 2.308 8.063 1.00 0.00 O ATOM 334 CB LEU A 19 -2.302 3.824 10.538 1.00 0.00 C ATOM 335 CG LEU A 19 -2.770 5.203 11.009 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.991 5.668 10.214 1.00 0.00 C ATOM 337 CD2 LEU A 19 -3.030 5.208 12.516 1.00 0.00 C ATOM 0 H LEU A 19 -1.263 4.992 8.330 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.219 3.771 10.843 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.992 3.471 9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.375 3.131 11.377 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.971 5.919 10.819 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.303 6.650 10.568 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.735 5.728 9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.806 4.957 10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.361 6.199 12.825 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.802 4.477 12.754 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.112 4.951 13.044 1.00 0.00 H new ATOM 349 N ASP A 20 0.118 1.562 9.889 1.00 0.00 N ATOM 350 CA ASP A 20 0.474 0.286 9.290 1.00 0.00 C ATOM 351 C ASP A 20 -0.204 -0.844 10.067 1.00 0.00 C ATOM 352 O ASP A 20 -0.266 -0.808 11.295 1.00 0.00 O ATOM 353 CB ASP A 20 1.985 0.056 9.342 1.00 0.00 C ATOM 354 CG ASP A 20 2.833 1.188 8.759 1.00 0.00 C ATOM 355 OD1 ASP A 20 2.220 2.165 8.276 1.00 0.00 O ATOM 356 OD2 ASP A 20 4.074 1.052 8.810 1.00 0.00 O ATOM 0 H ASP A 20 0.450 1.692 10.845 1.00 0.00 H new ATOM 0 HA ASP A 20 0.147 0.298 8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.278 -0.099 10.380 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.216 -0.864 8.805 1.00 0.00 H new ATOM 361 N PHE A 21 -0.695 -1.821 9.320 1.00 0.00 N ATOM 362 CA PHE A 21 -1.366 -2.960 9.923 1.00 0.00 C ATOM 363 C PHE A 21 -1.332 -4.173 8.992 1.00 0.00 C ATOM 364 O PHE A 21 -0.900 -4.068 7.845 1.00 0.00 O ATOM 365 CB PHE A 21 -2.822 -2.550 10.154 1.00 0.00 C ATOM 366 CG PHE A 21 -3.572 -2.171 8.876 1.00 0.00 C ATOM 367 CD1 PHE A 21 -4.162 -3.137 8.121 1.00 0.00 C ATOM 368 CD2 PHE A 21 -3.650 -0.868 8.494 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.857 -2.784 6.934 1.00 0.00 C ATOM 370 CE2 PHE A 21 -4.345 -0.515 7.307 1.00 0.00 C ATOM 371 CZ PHE A 21 -4.935 -1.481 6.552 1.00 0.00 C ATOM 0 H PHE A 21 -0.642 -1.848 8.302 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.868 -3.236 10.853 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.347 -3.372 10.641 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.846 -1.704 10.841 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.102 -4.172 8.424 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.183 -0.101 9.094 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.324 -3.551 6.334 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.405 0.520 7.004 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.465 -1.213 5.650 1.00 0.00 H new ATOM 381 N ILE A 22 -1.793 -5.298 9.519 1.00 0.00 N ATOM 382 CA ILE A 22 -1.820 -6.530 8.750 1.00 0.00 C ATOM 383 C ILE A 22 -3.226 -7.131 8.807 1.00 0.00 C ATOM 384 O ILE A 22 -3.823 -7.222 9.879 1.00 0.00 O ATOM 385 CB ILE A 22 -0.723 -7.484 9.227 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.630 -6.773 9.296 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.668 -8.737 8.351 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.261 -6.659 7.907 1.00 0.00 C ATOM 0 H ILE A 22 -2.151 -5.382 10.470 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.601 -6.329 7.701 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.968 -7.808 10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.501 -5.779 9.723 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.299 -7.321 9.960 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.120 -9.398 8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.626 -9.255 8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.459 -8.451 7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.222 -6.150 7.984 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.411 -7.656 7.493 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.600 -6.090 7.253 1.00 0.00 H new ATOM 400 N VAL A 23 -3.714 -7.526 7.641 1.00 0.00 N ATOM 401 CA VAL A 23 -5.038 -8.116 7.545 1.00 0.00 C ATOM 402 C VAL A 23 -4.907 -9.633 7.395 1.00 0.00 C ATOM 403 O VAL A 23 -4.233 -10.114 6.486 1.00 0.00 O ATOM 404 CB VAL A 23 -5.818 -7.468 6.399 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.317 -7.746 6.530 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.544 -5.964 6.331 1.00 0.00 C ATOM 0 H VAL A 23 -3.216 -7.449 6.754 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.606 -7.927 8.456 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.474 -7.914 5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.848 -7.274 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.491 -8.822 6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.681 -7.340 7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.110 -5.528 5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.847 -5.496 7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.480 -5.795 6.168 1.00 0.00 H new ATOM 416 N LYS A 24 -5.561 -10.344 8.302 1.00 0.00 N ATOM 417 CA LYS A 24 -5.526 -11.796 8.282 1.00 0.00 C ATOM 418 C LYS A 24 -6.954 -12.336 8.184 1.00 0.00 C ATOM 419 O LYS A 24 -7.893 -11.707 8.669 1.00 0.00 O ATOM 420 CB LYS A 24 -4.748 -12.330 9.487 1.00 0.00 C ATOM 421 CG LYS A 24 -3.266 -12.503 9.150 1.00 0.00 C ATOM 422 CD LYS A 24 -2.431 -12.681 10.420 1.00 0.00 C ATOM 423 CE LYS A 24 -1.025 -13.183 10.086 1.00 0.00 C ATOM 424 NZ LYS A 24 -0.956 -14.655 10.215 1.00 0.00 N ATOM 0 H LYS A 24 -6.118 -9.941 9.055 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.990 -12.151 7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.856 -11.644 10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.167 -13.286 9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.136 -13.369 8.501 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.912 -11.633 8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.365 -11.732 10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.924 -13.387 11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.759 -12.888 9.071 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.299 -12.719 10.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.005 -14.979 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.189 -14.929 11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.635 -15.093 9.560 1.00 0.00 H new ATOM 438 N TYR A 25 -7.073 -13.495 7.554 1.00 0.00 N ATOM 439 CA TYR A 25 -8.371 -14.126 7.387 1.00 0.00 C ATOM 440 C TYR A 25 -8.220 -15.620 7.093 1.00 0.00 C ATOM 441 O TYR A 25 -7.120 -16.094 6.814 1.00 0.00 O ATOM 442 CB TYR A 25 -9.019 -13.444 6.180 1.00 0.00 C ATOM 443 CG TYR A 25 -8.044 -13.132 5.043 1.00 0.00 C ATOM 444 CD1 TYR A 25 -7.218 -12.029 5.126 1.00 0.00 C ATOM 445 CD2 TYR A 25 -7.989 -13.954 3.936 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.300 -11.735 4.056 1.00 0.00 C ATOM 447 CE2 TYR A 25 -7.071 -13.660 2.866 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.272 -12.565 2.979 1.00 0.00 C ATOM 449 OH TYR A 25 -5.405 -12.288 1.968 1.00 0.00 O ATOM 0 H TYR A 25 -6.292 -14.014 7.153 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.967 -14.025 8.294 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.814 -14.084 5.798 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.487 -12.516 6.508 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.260 -11.387 5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.634 -14.818 3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.649 -10.875 4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.018 -14.295 1.994 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.448 -11.333 1.753 1.00 0.00 H new ATOM 459 N GLU A 26 -9.342 -16.321 7.165 1.00 0.00 N ATOM 460 CA GLU A 26 -9.349 -17.752 6.911 1.00 0.00 C ATOM 461 C GLU A 26 -10.171 -18.064 5.659 1.00 0.00 C ATOM 462 O GLU A 26 -11.103 -18.866 5.708 1.00 0.00 O ATOM 463 CB GLU A 26 -9.879 -18.522 8.122 1.00 0.00 C ATOM 464 CG GLU A 26 -8.763 -18.789 9.133 1.00 0.00 C ATOM 465 CD GLU A 26 -9.073 -18.131 10.479 1.00 0.00 C ATOM 466 OE1 GLU A 26 -10.050 -18.579 11.118 1.00 0.00 O ATOM 467 OE2 GLU A 26 -8.327 -17.194 10.838 1.00 0.00 O ATOM 0 H GLU A 26 -10.253 -15.925 7.396 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.323 -18.076 6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.677 -17.953 8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.312 -19.467 7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.640 -19.863 9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.818 -18.407 8.746 1.00 0.00 H new ATOM 474 N GLY A 27 -9.797 -17.415 4.566 1.00 0.00 N ATOM 475 CA GLY A 27 -10.489 -17.613 3.304 1.00 0.00 C ATOM 476 C GLY A 27 -11.054 -16.293 2.775 1.00 0.00 C ATOM 477 O GLY A 27 -11.204 -15.332 3.528 1.00 0.00 O ATOM 0 H GLY A 27 -9.023 -16.751 4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.803 -18.038 2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.298 -18.331 3.438 1.00 0.00 H new ATOM 481 N SER A 28 -11.352 -16.289 1.484 1.00 0.00 N ATOM 482 CA SER A 28 -11.897 -15.103 0.846 1.00 0.00 C ATOM 483 C SER A 28 -10.889 -13.955 0.927 1.00 0.00 C ATOM 484 O SER A 28 -9.968 -13.989 1.741 1.00 0.00 O ATOM 485 CB SER A 28 -13.223 -14.692 1.489 1.00 0.00 C ATOM 486 OG SER A 28 -13.617 -13.377 1.106 1.00 0.00 O ATOM 0 H SER A 28 -11.226 -17.088 0.863 1.00 0.00 H new ATOM 0 HA SER A 28 -12.089 -15.336 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.000 -15.401 1.203 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.130 -14.741 2.574 1.00 0.00 H new ATOM 0 HG SER A 28 -14.469 -13.152 1.536 1.00 0.00 H new ATOM 492 N THR A 29 -11.098 -12.965 0.071 1.00 0.00 N ATOM 493 CA THR A 29 -10.220 -11.809 0.036 1.00 0.00 C ATOM 494 C THR A 29 -10.993 -10.539 0.398 1.00 0.00 C ATOM 495 O THR A 29 -11.942 -10.169 -0.292 1.00 0.00 O ATOM 496 CB THR A 29 -9.570 -11.750 -1.349 1.00 0.00 C ATOM 497 OG1 THR A 29 -8.538 -12.731 -1.289 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.823 -10.437 -1.590 1.00 0.00 C ATOM 0 H THR A 29 -11.863 -12.940 -0.603 1.00 0.00 H new ATOM 0 HA THR A 29 -9.428 -11.893 0.780 1.00 0.00 H new ATOM 0 HB THR A 29 -10.335 -11.878 -2.115 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.065 -12.762 -2.147 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.381 -10.447 -2.586 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.519 -9.602 -1.511 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.035 -10.324 -0.845 1.00 0.00 H new ATOM 506 N PRO A 30 -10.548 -9.891 1.507 1.00 0.00 N ATOM 507 CA PRO A 30 -11.188 -8.672 1.969 1.00 0.00 C ATOM 508 C PRO A 30 -10.810 -7.484 1.082 1.00 0.00 C ATOM 509 O PRO A 30 -9.664 -7.367 0.650 1.00 0.00 O ATOM 510 CB PRO A 30 -10.729 -8.507 3.409 1.00 0.00 C ATOM 511 CG PRO A 30 -9.491 -9.377 3.553 1.00 0.00 C ATOM 512 CD PRO A 30 -9.427 -10.301 2.348 1.00 0.00 C ATOM 0 HA PRO A 30 -12.276 -8.722 1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.501 -7.464 3.630 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.508 -8.817 4.105 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.595 -8.759 3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.536 -9.956 4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.478 -10.199 1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.516 -11.346 2.645 1.00 0.00 H new ATOM 520 N SER A 31 -11.795 -6.633 0.836 1.00 0.00 N ATOM 521 CA SER A 31 -11.580 -5.458 0.008 1.00 0.00 C ATOM 522 C SER A 31 -11.053 -4.305 0.863 1.00 0.00 C ATOM 523 O SER A 31 -10.996 -4.410 2.087 1.00 0.00 O ATOM 524 CB SER A 31 -12.869 -5.044 -0.706 1.00 0.00 C ATOM 525 OG SER A 31 -13.285 -6.015 -1.663 1.00 0.00 O ATOM 0 H SER A 31 -12.744 -6.734 1.195 1.00 0.00 H new ATOM 0 HA SER A 31 -10.839 -5.706 -0.752 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.660 -4.898 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.716 -4.087 -1.204 1.00 0.00 H new ATOM 0 HG SER A 31 -14.112 -5.715 -2.096 1.00 0.00 H new ATOM 531 N ARG A 32 -10.680 -3.230 0.184 1.00 0.00 N ATOM 532 CA ARG A 32 -10.159 -2.057 0.866 1.00 0.00 C ATOM 533 C ARG A 32 -11.247 -1.419 1.731 1.00 0.00 C ATOM 534 O ARG A 32 -10.988 -1.017 2.865 1.00 0.00 O ATOM 535 CB ARG A 32 -9.640 -1.023 -0.135 1.00 0.00 C ATOM 536 CG ARG A 32 -8.152 -1.233 -0.420 1.00 0.00 C ATOM 537 CD ARG A 32 -7.890 -1.331 -1.924 1.00 0.00 C ATOM 538 NE ARG A 32 -8.182 -0.034 -2.574 1.00 0.00 N ATOM 539 CZ ARG A 32 -7.824 0.276 -3.827 1.00 0.00 C ATOM 540 NH1 ARG A 32 -7.159 -0.616 -4.574 1.00 0.00 N ATOM 541 NH2 ARG A 32 -8.132 1.478 -4.334 1.00 0.00 N ATOM 0 H ARG A 32 -10.728 -3.147 -0.831 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.332 -2.381 1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.205 -1.096 -1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.800 -0.019 0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.578 -0.407 -0.000 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.809 -2.143 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.852 -1.611 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.511 -2.114 -2.360 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.688 0.668 -2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.925 -1.531 -4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.886 -0.380 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.639 2.157 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.859 1.714 -5.288 1.00 0.00 H new ATOM 555 N ASN A 33 -12.443 -1.346 1.164 1.00 0.00 N ATOM 556 CA ASN A 33 -13.571 -0.763 1.869 1.00 0.00 C ATOM 557 C ASN A 33 -13.929 -1.645 3.067 1.00 0.00 C ATOM 558 O ASN A 33 -14.424 -1.152 4.080 1.00 0.00 O ATOM 559 CB ASN A 33 -14.801 -0.676 0.963 1.00 0.00 C ATOM 560 CG ASN A 33 -15.016 -1.986 0.202 1.00 0.00 C ATOM 561 OD1 ASN A 33 -15.172 -3.050 0.778 1.00 0.00 O ATOM 562 ND2 ASN A 33 -15.015 -1.849 -1.121 1.00 0.00 N ATOM 0 H ASN A 33 -12.655 -1.681 0.224 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.287 0.239 2.190 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.683 -0.451 1.562 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.678 0.144 0.255 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.150 -2.665 -1.718 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.879 -0.928 -1.538 1.00 0.00 H new ATOM 569 N ASP A 34 -13.663 -2.934 2.913 1.00 0.00 N ATOM 570 CA ASP A 34 -13.950 -3.889 3.970 1.00 0.00 C ATOM 571 C ASP A 34 -12.935 -3.712 5.101 1.00 0.00 C ATOM 572 O ASP A 34 -13.297 -3.750 6.276 1.00 0.00 O ATOM 573 CB ASP A 34 -13.842 -5.327 3.458 1.00 0.00 C ATOM 574 CG ASP A 34 -15.179 -6.034 3.229 1.00 0.00 C ATOM 575 OD1 ASP A 34 -15.807 -6.403 4.245 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.542 -6.190 2.043 1.00 0.00 O ATOM 0 H ASP A 34 -13.252 -3.339 2.072 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.965 -3.707 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.286 -5.322 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.259 -5.908 4.172 1.00 0.00 H new ATOM 581 N VAL A 35 -11.685 -3.523 4.707 1.00 0.00 N ATOM 582 CA VAL A 35 -10.615 -3.340 5.673 1.00 0.00 C ATOM 583 C VAL A 35 -10.749 -1.961 6.321 1.00 0.00 C ATOM 584 O VAL A 35 -10.655 -1.832 7.541 1.00 0.00 O ATOM 585 CB VAL A 35 -9.258 -3.554 4.998 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.117 -3.071 5.896 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.066 -5.020 4.607 1.00 0.00 C ATOM 0 H VAL A 35 -11.389 -3.493 3.731 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.688 -4.082 6.469 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.240 -2.959 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.164 -3.234 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.241 -2.008 6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.132 -3.626 6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.094 -5.145 4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.115 -5.644 5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.852 -5.317 3.913 1.00 0.00 H new ATOM 597 N ARG A 36 -10.966 -0.963 5.476 1.00 0.00 N ATOM 598 CA ARG A 36 -11.114 0.402 5.952 1.00 0.00 C ATOM 599 C ARG A 36 -12.162 0.465 7.065 1.00 0.00 C ATOM 600 O ARG A 36 -11.894 0.986 8.146 1.00 0.00 O ATOM 601 CB ARG A 36 -11.530 1.339 4.816 1.00 0.00 C ATOM 602 CG ARG A 36 -10.432 2.363 4.521 1.00 0.00 C ATOM 603 CD ARG A 36 -11.019 3.631 3.897 1.00 0.00 C ATOM 604 NE ARG A 36 -10.234 4.017 2.704 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.727 4.722 1.676 1.00 0.00 C ATOM 606 NH1 ARG A 36 -12.006 5.121 1.689 1.00 0.00 N ATOM 607 NH2 ARG A 36 -9.941 5.027 0.634 1.00 0.00 N ATOM 0 H ARG A 36 -11.043 -1.073 4.465 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.148 0.725 6.339 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.741 0.757 3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.451 1.856 5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.908 2.616 5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.696 1.928 3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.059 3.462 3.619 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.012 4.442 4.625 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.257 3.729 2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.605 4.888 2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.381 5.657 0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.968 4.723 0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.316 5.563 -0.148 1.00 0.00 H new ATOM 621 N ASN A 37 -13.335 -0.073 6.761 1.00 0.00 N ATOM 622 CA ASN A 37 -14.424 -0.084 7.723 1.00 0.00 C ATOM 623 C ASN A 37 -13.934 -0.698 9.035 1.00 0.00 C ATOM 624 O ASN A 37 -14.400 -0.327 10.111 1.00 0.00 O ATOM 625 CB ASN A 37 -15.597 -0.925 7.216 1.00 0.00 C ATOM 626 CG ASN A 37 -16.790 -0.038 6.851 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.182 0.854 7.585 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.343 -0.332 5.678 1.00 0.00 N ATOM 0 H ASN A 37 -13.554 -0.504 5.863 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.754 0.944 7.871 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.287 -1.500 6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -15.893 -1.642 7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.145 0.203 5.344 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.965 -1.092 5.112 1.00 0.00 H new ATOM 635 N LYS A 38 -13.000 -1.629 8.904 1.00 0.00 N ATOM 636 CA LYS A 38 -12.442 -2.299 10.066 1.00 0.00 C ATOM 637 C LYS A 38 -11.545 -1.323 10.830 1.00 0.00 C ATOM 638 O LYS A 38 -11.704 -1.142 12.036 1.00 0.00 O ATOM 639 CB LYS A 38 -11.733 -3.589 9.651 1.00 0.00 C ATOM 640 CG LYS A 38 -11.806 -4.637 10.764 1.00 0.00 C ATOM 641 CD LYS A 38 -12.098 -6.026 10.191 1.00 0.00 C ATOM 642 CE LYS A 38 -12.698 -6.944 11.258 1.00 0.00 C ATOM 643 NZ LYS A 38 -13.739 -7.814 10.667 1.00 0.00 N ATOM 0 H LYS A 38 -12.616 -1.935 8.010 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.236 -2.604 10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.190 -3.984 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.690 -3.376 9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.864 -4.657 11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.584 -4.363 11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.787 -5.939 9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.178 -6.465 9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.913 -7.556 11.702 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.129 -6.345 12.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.811 -8.693 11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.654 -7.320 10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.485 -8.041 9.684 1.00 0.00 H new ATOM 657 N LEU A 39 -10.623 -0.718 10.096 1.00 0.00 N ATOM 658 CA LEU A 39 -9.700 0.235 10.690 1.00 0.00 C ATOM 659 C LEU A 39 -10.488 1.426 11.239 1.00 0.00 C ATOM 660 O LEU A 39 -10.341 1.788 12.405 1.00 0.00 O ATOM 661 CB LEU A 39 -8.614 0.627 9.685 1.00 0.00 C ATOM 662 CG LEU A 39 -7.170 0.421 10.145 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.675 -0.982 9.789 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.255 1.511 9.584 1.00 0.00 C ATOM 0 H LEU A 39 -10.495 -0.869 9.095 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.175 -0.217 11.532 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.769 0.054 8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.746 1.678 9.428 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.143 0.505 11.231 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.646 -1.101 10.127 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.306 -1.725 10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.720 -1.121 8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.234 1.341 9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.282 1.483 8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.596 2.486 9.931 1.00 0.00 H new ATOM 676 N ALA A 40 -11.308 2.003 10.372 1.00 0.00 N ATOM 677 CA ALA A 40 -12.119 3.146 10.756 1.00 0.00 C ATOM 678 C ALA A 40 -12.830 2.841 12.076 1.00 0.00 C ATOM 679 O ALA A 40 -13.007 3.729 12.909 1.00 0.00 O ATOM 680 CB ALA A 40 -13.100 3.477 9.629 1.00 0.00 C ATOM 0 H ALA A 40 -11.428 1.700 9.405 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.494 4.025 10.914 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.709 4.334 9.917 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.545 3.714 8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.746 2.619 9.445 1.00 0.00 H new ATOM 686 N ALA A 41 -13.217 1.583 12.226 1.00 0.00 N ATOM 687 CA ALA A 41 -13.904 1.150 13.431 1.00 0.00 C ATOM 688 C ALA A 41 -12.895 1.039 14.576 1.00 0.00 C ATOM 689 O ALA A 41 -13.207 1.374 15.718 1.00 0.00 O ATOM 690 CB ALA A 41 -14.627 -0.171 13.160 1.00 0.00 C ATOM 0 H ALA A 41 -13.068 0.850 11.533 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.658 1.879 13.726 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.142 -0.496 14.064 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.353 -0.031 12.359 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.902 -0.929 12.864 1.00 0.00 H new ATOM 696 N MET A 42 -11.707 0.566 14.231 1.00 0.00 N ATOM 697 CA MET A 42 -10.650 0.406 15.216 1.00 0.00 C ATOM 698 C MET A 42 -10.147 1.766 15.706 1.00 0.00 C ATOM 699 O MET A 42 -10.005 1.982 16.908 1.00 0.00 O ATOM 700 CB MET A 42 -9.489 -0.375 14.597 1.00 0.00 C ATOM 701 CG MET A 42 -9.821 -1.866 14.502 1.00 0.00 C ATOM 702 SD MET A 42 -8.648 -2.815 15.454 1.00 0.00 S ATOM 703 CE MET A 42 -7.363 -3.034 14.234 1.00 0.00 C ATOM 0 H MET A 42 -11.452 0.288 13.283 1.00 0.00 H new ATOM 0 HA MET A 42 -11.053 -0.140 16.069 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.271 0.017 13.604 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.591 -0.236 15.199 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.831 -2.046 14.870 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.800 -2.186 13.460 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.546 -3.611 14.666 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.766 -3.565 13.372 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.991 -2.059 13.918 1.00 0.00 H new ATOM 713 N LEU A 43 -9.891 2.646 14.749 1.00 0.00 N ATOM 714 CA LEU A 43 -9.406 3.978 15.068 1.00 0.00 C ATOM 715 C LEU A 43 -10.599 4.917 15.261 1.00 0.00 C ATOM 716 O LEU A 43 -10.423 6.122 15.437 1.00 0.00 O ATOM 717 CB LEU A 43 -8.413 4.456 14.007 1.00 0.00 C ATOM 718 CG LEU A 43 -7.748 3.361 13.170 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.603 3.932 12.331 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.288 2.199 14.053 1.00 0.00 C ATOM 0 H LEU A 43 -10.010 2.463 13.753 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.852 3.967 16.007 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.932 5.137 13.332 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.632 5.032 14.502 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.489 2.964 12.476 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.147 3.133 11.746 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.991 4.698 11.660 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.854 4.372 12.989 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.819 1.435 13.433 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.569 2.562 14.787 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.148 1.771 14.568 1.00 0.00 H new ATOM 732 N ASN A 44 -11.786 4.330 15.222 1.00 0.00 N ATOM 733 CA ASN A 44 -13.007 5.099 15.390 1.00 0.00 C ATOM 734 C ASN A 44 -12.904 6.395 14.584 1.00 0.00 C ATOM 735 O ASN A 44 -13.380 7.442 15.021 1.00 0.00 O ATOM 736 CB ASN A 44 -13.226 5.471 16.858 1.00 0.00 C ATOM 737 CG ASN A 44 -13.011 4.261 17.769 1.00 0.00 C ATOM 738 OD1 ASN A 44 -13.933 3.543 18.118 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.745 4.076 18.132 1.00 0.00 N ATOM 0 H ASN A 44 -11.928 3.330 15.076 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.841 4.487 15.045 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.540 6.270 17.141 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -14.237 5.856 16.992 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.497 3.295 18.739 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.022 4.716 17.803 1.00 0.00 H new ATOM 746 N ALA A 45 -12.279 6.283 13.421 1.00 0.00 N ATOM 747 CA ALA A 45 -12.107 7.433 12.550 1.00 0.00 C ATOM 748 C ALA A 45 -13.026 7.289 11.336 1.00 0.00 C ATOM 749 O ALA A 45 -13.560 6.211 11.080 1.00 0.00 O ATOM 750 CB ALA A 45 -10.634 7.558 12.154 1.00 0.00 C ATOM 0 H ALA A 45 -11.886 5.413 13.062 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.385 8.351 13.067 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.505 8.421 11.500 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.026 7.687 13.050 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.320 6.655 11.629 1.00 0.00 H new ATOM 756 N PRO A 46 -13.188 8.422 10.600 1.00 0.00 N ATOM 757 CA PRO A 46 -14.034 8.432 9.418 1.00 0.00 C ATOM 758 C PRO A 46 -13.348 7.727 8.247 1.00 0.00 C ATOM 759 O PRO A 46 -12.134 7.833 8.078 1.00 0.00 O ATOM 760 CB PRO A 46 -14.312 9.902 9.147 1.00 0.00 C ATOM 761 CG PRO A 46 -13.241 10.675 9.900 1.00 0.00 C ATOM 762 CD PRO A 46 -12.572 9.717 10.872 1.00 0.00 C ATOM 0 HA PRO A 46 -14.965 7.884 9.562 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.271 10.117 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.308 10.181 9.490 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.509 11.088 9.206 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.682 11.516 10.435 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.494 9.683 10.716 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.735 10.024 11.905 1.00 0.00 H new ATOM 770 N LEU A 47 -14.155 7.023 7.466 1.00 0.00 N ATOM 771 CA LEU A 47 -13.641 6.301 6.315 1.00 0.00 C ATOM 772 C LEU A 47 -13.162 7.303 5.263 1.00 0.00 C ATOM 773 O LEU A 47 -12.040 7.200 4.768 1.00 0.00 O ATOM 774 CB LEU A 47 -14.686 5.313 5.793 1.00 0.00 C ATOM 775 CG LEU A 47 -14.165 3.926 5.411 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.568 2.882 6.455 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.623 3.536 4.004 1.00 0.00 C ATOM 0 H LEU A 47 -15.161 6.938 7.608 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.778 5.698 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.456 5.193 6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.168 5.752 4.919 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.076 3.963 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.185 1.905 6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.151 3.157 7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.655 2.839 6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.239 2.546 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.712 3.522 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.244 4.262 3.284 1.00 0.00 H new ATOM 789 N GLU A 48 -14.035 8.249 4.951 1.00 0.00 N ATOM 790 CA GLU A 48 -13.715 9.268 3.966 1.00 0.00 C ATOM 791 C GLU A 48 -12.308 9.818 4.209 1.00 0.00 C ATOM 792 O GLU A 48 -11.559 10.058 3.264 1.00 0.00 O ATOM 793 CB GLU A 48 -14.754 10.391 3.982 1.00 0.00 C ATOM 794 CG GLU A 48 -15.191 10.713 5.412 1.00 0.00 C ATOM 795 CD GLU A 48 -16.673 10.390 5.618 1.00 0.00 C ATOM 796 OE1 GLU A 48 -16.982 9.183 5.720 1.00 0.00 O ATOM 797 OE2 GLU A 48 -17.463 11.358 5.669 1.00 0.00 O ATOM 0 H GLU A 48 -14.964 8.331 5.363 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.739 8.810 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.337 11.284 3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.621 10.098 3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.589 10.141 6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.012 11.768 5.622 1.00 0.00 H new ATOM 804 N LEU A 49 -11.992 10.003 5.483 1.00 0.00 N ATOM 805 CA LEU A 49 -10.689 10.520 5.863 1.00 0.00 C ATOM 806 C LEU A 49 -9.657 9.393 5.794 1.00 0.00 C ATOM 807 O LEU A 49 -8.479 9.639 5.539 1.00 0.00 O ATOM 808 CB LEU A 49 -10.761 11.204 7.229 1.00 0.00 C ATOM 809 CG LEU A 49 -11.719 12.393 7.334 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.507 13.154 8.645 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.595 13.307 6.114 1.00 0.00 C ATOM 0 H LEU A 49 -12.616 9.804 6.265 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.367 11.291 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.053 10.461 7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.760 11.544 7.496 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.739 12.009 7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.200 13.994 8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.686 12.485 9.487 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.483 13.525 8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.287 14.144 6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.575 13.686 6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.835 12.744 5.212 1.00 0.00 H new ATOM 823 N LEU A 50 -10.137 8.179 6.025 1.00 0.00 N ATOM 824 CA LEU A 50 -9.271 7.013 5.992 1.00 0.00 C ATOM 825 C LEU A 50 -9.091 6.558 4.543 1.00 0.00 C ATOM 826 O LEU A 50 -10.069 6.299 3.843 1.00 0.00 O ATOM 827 CB LEU A 50 -9.809 5.920 6.918 1.00 0.00 C ATOM 828 CG LEU A 50 -8.830 5.385 7.964 1.00 0.00 C ATOM 829 CD1 LEU A 50 -9.245 5.813 9.373 1.00 0.00 C ATOM 830 CD2 LEU A 50 -8.678 3.867 7.847 1.00 0.00 C ATOM 0 H LEU A 50 -11.115 7.978 6.236 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.281 7.263 6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.686 6.309 7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.146 5.085 6.304 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.851 5.822 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.532 5.419 10.098 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.260 6.901 9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.239 5.424 9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.976 3.512 8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.647 3.391 8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.302 3.614 6.856 1.00 0.00 H new ATOM 842 N VAL A 51 -7.834 6.473 4.134 1.00 0.00 N ATOM 843 CA VAL A 51 -7.513 6.053 2.781 1.00 0.00 C ATOM 844 C VAL A 51 -6.505 4.903 2.834 1.00 0.00 C ATOM 845 O VAL A 51 -5.733 4.793 3.785 1.00 0.00 O ATOM 846 CB VAL A 51 -7.013 7.249 1.967 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.293 7.051 0.475 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.632 8.553 2.472 1.00 0.00 C ATOM 0 H VAL A 51 -7.025 6.688 4.717 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.404 5.681 2.275 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.933 7.317 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.928 7.914 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.784 6.153 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.366 6.945 0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.260 9.387 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.717 8.499 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.361 8.704 3.517 1.00 0.00 H new ATOM 858 N ILE A 52 -6.545 4.075 1.800 1.00 0.00 N ATOM 859 CA ILE A 52 -5.645 2.938 1.716 1.00 0.00 C ATOM 860 C ILE A 52 -4.556 3.229 0.683 1.00 0.00 C ATOM 861 O ILE A 52 -4.855 3.501 -0.479 1.00 0.00 O ATOM 862 CB ILE A 52 -6.430 1.654 1.438 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.639 1.537 2.368 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.520 0.426 1.524 1.00 0.00 C ATOM 865 CD1 ILE A 52 -7.274 1.946 3.796 1.00 0.00 C ATOM 0 H ILE A 52 -7.187 4.169 1.013 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.143 2.778 2.670 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.812 1.702 0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.448 2.169 2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.008 0.512 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.102 -0.473 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.721 0.513 0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.088 0.362 2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.151 1.854 4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.482 1.297 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.928 2.980 3.801 1.00 0.00 H new ATOM 877 N GLN A 53 -3.315 3.163 1.142 1.00 0.00 N ATOM 878 CA GLN A 53 -2.180 3.416 0.272 1.00 0.00 C ATOM 879 C GLN A 53 -2.096 2.344 -0.817 1.00 0.00 C ATOM 880 O GLN A 53 -2.088 2.661 -2.005 1.00 0.00 O ATOM 881 CB GLN A 53 -0.879 3.486 1.074 1.00 0.00 C ATOM 882 CG GLN A 53 0.321 3.719 0.154 1.00 0.00 C ATOM 883 CD GLN A 53 1.528 4.227 0.945 1.00 0.00 C ATOM 884 OE1 GLN A 53 1.831 5.409 0.974 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.199 3.271 1.582 1.00 0.00 N ATOM 0 H GLN A 53 -3.071 2.938 2.106 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.324 4.384 -0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.942 4.291 1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.740 2.559 1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.580 2.790 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.057 4.442 -0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.891 2.301 1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.021 3.508 2.137 1.00 0.00 H new ATOM 894 N ARG A 54 -2.035 1.098 -0.372 1.00 0.00 N ATOM 895 CA ARG A 54 -1.951 -0.023 -1.293 1.00 0.00 C ATOM 896 C ARG A 54 -1.837 -1.338 -0.520 1.00 0.00 C ATOM 897 O ARG A 54 -0.896 -1.530 0.250 1.00 0.00 O ATOM 898 CB ARG A 54 -0.747 0.120 -2.226 1.00 0.00 C ATOM 899 CG ARG A 54 -1.035 -0.506 -3.592 1.00 0.00 C ATOM 900 CD ARG A 54 -0.800 0.504 -4.718 1.00 0.00 C ATOM 901 NE ARG A 54 -0.015 -0.124 -5.804 1.00 0.00 N ATOM 902 CZ ARG A 54 0.113 0.394 -7.033 1.00 0.00 C ATOM 903 NH1 ARG A 54 -0.491 1.549 -7.340 1.00 0.00 N ATOM 904 NH2 ARG A 54 0.846 -0.245 -7.956 1.00 0.00 N ATOM 0 H ARG A 54 -2.042 0.840 0.615 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.861 -0.029 -1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.501 1.175 -2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.124 -0.360 -1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.395 -1.376 -3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.066 -0.859 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.755 0.858 -5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.271 1.375 -4.332 1.00 0.00 H new ATOM 0 HE ARG A 54 0.458 -1.006 -5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.049 2.035 -6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.393 1.943 -8.276 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.306 -1.125 -7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.944 0.149 -8.892 1.00 0.00 H new ATOM 918 N ILE A 55 -2.807 -2.210 -0.752 1.00 0.00 N ATOM 919 CA ILE A 55 -2.826 -3.502 -0.087 1.00 0.00 C ATOM 920 C ILE A 55 -2.052 -4.517 -0.931 1.00 0.00 C ATOM 921 O ILE A 55 -2.136 -4.502 -2.158 1.00 0.00 O ATOM 922 CB ILE A 55 -4.264 -3.926 0.218 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.811 -3.174 1.433 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.364 -5.443 0.390 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.243 -3.612 1.750 1.00 0.00 C ATOM 0 H ILE A 55 -3.585 -2.047 -1.391 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.324 -3.441 0.879 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.887 -3.657 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.171 -3.357 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.789 -2.101 1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.397 -5.717 0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.042 -5.935 -0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.725 -5.759 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.608 -3.062 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.885 -3.406 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.258 -4.680 1.965 1.00 0.00 H new ATOM 937 N LYS A 56 -1.315 -5.374 -0.239 1.00 0.00 N ATOM 938 CA LYS A 56 -0.526 -6.394 -0.910 1.00 0.00 C ATOM 939 C LYS A 56 -0.929 -7.772 -0.383 1.00 0.00 C ATOM 940 O LYS A 56 -0.707 -8.083 0.787 1.00 0.00 O ATOM 941 CB LYS A 56 0.968 -6.094 -0.769 1.00 0.00 C ATOM 942 CG LYS A 56 1.731 -6.510 -2.028 1.00 0.00 C ATOM 943 CD LYS A 56 3.221 -6.188 -1.897 1.00 0.00 C ATOM 944 CE LYS A 56 4.059 -7.097 -2.798 1.00 0.00 C ATOM 945 NZ LYS A 56 5.454 -7.168 -2.309 1.00 0.00 N ATOM 0 H LYS A 56 -1.248 -5.383 0.779 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.729 -6.390 -1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.113 -5.029 -0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.369 -6.623 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.600 -7.578 -2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.318 -5.994 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.396 -5.145 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.533 -6.310 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.624 -8.096 -2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.045 -6.719 -3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.009 -7.789 -2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.871 -6.215 -2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.464 -7.550 -1.342 1.00 0.00 H new ATOM 959 N THR A 57 -1.515 -8.562 -1.271 1.00 0.00 N ATOM 960 CA THR A 57 -1.951 -9.900 -0.910 1.00 0.00 C ATOM 961 C THR A 57 -0.848 -10.918 -1.204 1.00 0.00 C ATOM 962 O THR A 57 -0.191 -10.845 -2.242 1.00 0.00 O ATOM 963 CB THR A 57 -3.257 -10.188 -1.653 1.00 0.00 C ATOM 964 OG1 THR A 57 -4.059 -9.036 -1.405 1.00 0.00 O ATOM 965 CG2 THR A 57 -4.049 -11.335 -1.022 1.00 0.00 C ATOM 0 H THR A 57 -1.698 -8.301 -2.240 1.00 0.00 H new ATOM 0 HA THR A 57 -2.145 -9.978 0.160 1.00 0.00 H new ATOM 0 HB THR A 57 -3.037 -10.427 -2.693 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.925 -9.138 -1.852 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.966 -11.498 -1.588 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.447 -12.244 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.298 -11.081 0.008 1.00 0.00 H new ATOM 1050 N GLU A 63 -3.509 -13.517 3.834 1.00 0.00 N ATOM 1051 CA GLU A 63 -3.014 -12.357 4.556 1.00 0.00 C ATOM 1052 C GLU A 63 -2.815 -11.181 3.598 1.00 0.00 C ATOM 1053 O GLU A 63 -2.170 -11.322 2.560 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.716 -12.686 5.297 1.00 0.00 C ATOM 1055 CG GLU A 63 -1.181 -11.457 6.036 1.00 0.00 C ATOM 1056 CD GLU A 63 0.349 -11.456 6.060 1.00 0.00 C ATOM 1057 OE1 GLU A 63 0.904 -12.221 6.878 1.00 0.00 O ATOM 1058 OE2 GLU A 63 0.928 -10.689 5.261 1.00 0.00 O ATOM 0 HA GLU A 63 -3.757 -12.072 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.893 -13.494 6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.969 -13.043 4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.541 -10.550 5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.565 -11.446 7.056 1.00 0.00 H new ATOM 1065 N SER A 64 -3.382 -10.046 3.980 1.00 0.00 N ATOM 1066 CA SER A 64 -3.275 -8.845 3.168 1.00 0.00 C ATOM 1067 C SER A 64 -2.799 -7.673 4.028 1.00 0.00 C ATOM 1068 O SER A 64 -3.388 -7.382 5.068 1.00 0.00 O ATOM 1069 CB SER A 64 -4.612 -8.509 2.505 1.00 0.00 C ATOM 1070 OG SER A 64 -5.303 -9.678 2.074 1.00 0.00 O ATOM 0 H SER A 64 -3.917 -9.932 4.841 1.00 0.00 H new ATOM 0 HA SER A 64 -2.545 -9.028 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.236 -7.957 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.439 -7.855 1.651 1.00 0.00 H new ATOM 0 HG SER A 64 -6.152 -9.421 1.657 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.738 -7.031 3.562 1.00 0.00 N ATOM 1077 CA LYS A 65 -1.176 -5.896 4.275 1.00 0.00 C ATOM 1078 C LYS A 65 -1.271 -4.649 3.395 1.00 0.00 C ATOM 1079 O LYS A 65 -1.168 -4.738 2.172 1.00 0.00 O ATOM 1080 CB LYS A 65 0.245 -6.210 4.746 1.00 0.00 C ATOM 1081 CG LYS A 65 1.278 -5.749 3.716 1.00 0.00 C ATOM 1082 CD LYS A 65 2.702 -5.959 4.236 1.00 0.00 C ATOM 1083 CE LYS A 65 3.032 -7.449 4.345 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.153 -8.053 2.999 1.00 0.00 N ATOM 0 H LYS A 65 -1.252 -7.275 2.699 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.749 -5.692 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.433 -5.718 5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.348 -7.282 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.141 -6.301 2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.123 -4.695 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.413 -5.474 3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.810 -5.487 5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.964 -7.582 4.895 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.253 -7.960 4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.618 -8.980 3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.206 -8.174 2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.720 -7.430 2.389 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.466 -3.514 4.051 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.576 -2.250 3.343 1.00 0.00 C ATOM 1100 C GLY A 66 -1.557 -1.072 4.319 1.00 0.00 C ATOM 1101 O GLY A 66 -2.121 -1.155 5.410 1.00 0.00 O ATOM 0 H GLY A 66 -1.551 -3.444 5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.753 -2.153 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.499 -2.232 2.764 1.00 0.00 H new ATOM 1105 N TYR A 67 -0.904 -0.001 3.892 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.805 1.193 4.715 1.00 0.00 C ATOM 1107 C TYR A 67 -1.965 2.150 4.434 1.00 0.00 C ATOM 1108 O TYR A 67 -2.222 2.498 3.283 1.00 0.00 O ATOM 1109 CB TYR A 67 0.508 1.871 4.318 1.00 0.00 C ATOM 1110 CG TYR A 67 1.753 1.215 4.918 1.00 0.00 C ATOM 1111 CD1 TYR A 67 1.972 -0.137 4.746 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.658 1.975 5.631 1.00 0.00 C ATOM 1113 CE1 TYR A 67 3.144 -0.754 5.310 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.830 1.358 6.196 1.00 0.00 C ATOM 1115 CZ TYR A 67 4.015 0.024 6.008 1.00 0.00 C ATOM 1116 OH TYR A 67 5.122 -0.559 6.541 1.00 0.00 O ATOM 0 H TYR A 67 -0.438 0.065 2.987 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.838 0.934 5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.594 1.865 3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.474 2.915 4.629 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.264 -0.732 4.188 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.487 3.033 5.765 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.328 -1.811 5.182 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.546 1.941 6.756 1.00 0.00 H new ATOM 0 HH TYR A 67 5.225 -0.275 7.473 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.634 2.548 5.506 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.761 3.459 5.390 1.00 0.00 C ATOM 1128 C ALA A 68 -3.319 4.865 5.800 1.00 0.00 C ATOM 1129 O ALA A 68 -2.385 5.022 6.585 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.924 2.942 6.238 1.00 0.00 C ATOM 0 H ALA A 68 -2.418 2.257 6.459 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.108 3.511 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.769 3.625 6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.219 1.953 5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.614 2.879 7.281 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.011 5.852 5.250 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.702 7.240 5.549 1.00 0.00 C ATOM 1138 C LYS A 69 -4.891 7.879 6.270 1.00 0.00 C ATOM 1139 O LYS A 69 -5.957 8.052 5.683 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.283 7.981 4.278 1.00 0.00 C ATOM 1141 CG LYS A 69 -1.954 7.444 3.742 1.00 0.00 C ATOM 1142 CD LYS A 69 -2.056 7.118 2.251 1.00 0.00 C ATOM 1143 CE LYS A 69 -1.748 8.350 1.398 1.00 0.00 C ATOM 1144 NZ LYS A 69 -0.904 7.981 0.240 1.00 0.00 N ATOM 0 H LYS A 69 -4.785 5.718 4.599 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.848 7.304 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.056 7.872 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.190 9.047 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.168 8.182 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.670 6.549 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.361 6.316 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.058 6.754 2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.678 8.800 1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.238 9.100 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.704 8.829 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.009 7.573 0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.404 7.282 -0.345 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.666 8.211 7.533 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.705 8.827 8.340 1.00 0.00 C ATOM 1160 C LEU A 70 -5.480 10.340 8.387 1.00 0.00 C ATOM 1161 O LEU A 70 -4.408 10.799 8.776 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.769 8.172 9.722 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.562 8.932 10.788 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -7.948 9.318 10.269 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.639 8.129 12.088 1.00 0.00 C ATOM 0 H LEU A 70 -3.780 8.065 8.017 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.684 8.664 7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.205 7.179 9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.750 8.034 10.085 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.034 9.859 11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.490 9.857 11.046 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.843 9.955 9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.499 8.417 10.000 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.207 8.691 12.829 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.132 7.176 11.898 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.632 7.948 12.464 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.508 11.072 7.984 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.436 12.523 7.975 1.00 0.00 C ATOM 1179 C TYR A 71 -7.405 13.127 8.993 1.00 0.00 C ATOM 1180 O TYR A 71 -8.382 12.487 9.380 1.00 0.00 O ATOM 1181 CB TYR A 71 -6.855 12.957 6.569 1.00 0.00 C ATOM 1182 CG TYR A 71 -5.836 12.613 5.481 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.793 11.338 4.954 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -4.960 13.577 5.026 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.834 11.013 3.931 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.001 13.253 4.002 1.00 0.00 C ATOM 1187 CZ TYR A 71 -3.985 11.987 3.505 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.079 11.681 2.538 1.00 0.00 O ATOM 0 H TYR A 71 -7.396 10.687 7.661 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.432 12.859 8.234 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.807 12.486 6.323 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.023 14.034 6.567 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.479 10.584 5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.994 14.575 5.438 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.789 10.019 3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.310 13.998 3.637 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.540 12.473 2.332 1.00 0.00 H new ATOM 1198 N GLU A 72 -7.102 14.352 9.397 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.934 15.049 10.362 1.00 0.00 C ATOM 1200 C GLU A 72 -9.131 15.696 9.662 1.00 0.00 C ATOM 1201 O GLU A 72 -10.186 15.877 10.268 1.00 0.00 O ATOM 1202 CB GLU A 72 -7.122 16.091 11.135 1.00 0.00 C ATOM 1203 CG GLU A 72 -6.331 15.438 12.269 1.00 0.00 C ATOM 1204 CD GLU A 72 -5.892 16.478 13.302 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -5.460 17.566 12.863 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -5.998 16.163 14.506 1.00 0.00 O ATOM 0 H GLU A 72 -6.291 14.880 9.073 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.309 14.321 11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.438 16.601 10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.791 16.849 11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.943 14.676 12.752 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.455 14.932 11.862 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.927 16.026 8.395 1.00 0.00 N ATOM 1214 CA ASP A 73 -9.977 16.648 7.606 1.00 0.00 C ATOM 1215 C ASP A 73 -9.832 16.220 6.145 1.00 0.00 C ATOM 1216 O ASP A 73 -8.737 15.883 5.698 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.877 18.174 7.663 1.00 0.00 C ATOM 1218 CG ASP A 73 -10.233 18.795 9.016 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -11.271 18.380 9.576 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -9.458 19.670 9.460 1.00 0.00 O ATOM 0 H ASP A 73 -8.051 15.874 7.895 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.937 16.333 8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.860 18.467 7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.535 18.595 6.903 1.00 0.00 H new ATOM 1225 N ALA A 74 -10.954 16.247 5.439 1.00 0.00 N ATOM 1226 CA ALA A 74 -10.966 15.866 4.037 1.00 0.00 C ATOM 1227 C ALA A 74 -10.383 17.005 3.198 1.00 0.00 C ATOM 1228 O ALA A 74 -9.659 16.763 2.234 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.392 15.504 3.619 1.00 0.00 C ATOM 0 H ALA A 74 -11.861 16.527 5.812 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.345 14.985 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.401 15.218 2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.748 14.671 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.044 16.365 3.767 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.721 18.223 3.596 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.241 19.400 2.893 1.00 0.00 C ATOM 1237 C ASP A 75 -8.729 19.285 2.688 1.00 0.00 C ATOM 1238 O ASP A 75 -8.232 19.487 1.582 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.514 20.672 3.698 1.00 0.00 C ATOM 1240 CG ASP A 75 -11.217 21.789 2.924 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -11.775 21.472 1.851 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -11.181 22.935 3.422 1.00 0.00 O ATOM 0 H ASP A 75 -11.322 18.420 4.397 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.763 19.459 1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.123 20.412 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.566 21.054 4.077 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.040 18.961 3.773 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.595 18.817 3.726 1.00 0.00 C ATOM 1249 C ARG A 76 -6.203 17.719 2.735 1.00 0.00 C ATOM 1250 O ARG A 76 -5.342 17.927 1.882 1.00 0.00 O ATOM 1251 CB ARG A 76 -6.031 18.474 5.107 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.212 19.638 5.669 1.00 0.00 C ATOM 1253 CD ARG A 76 -3.984 19.915 4.798 1.00 0.00 C ATOM 1254 NE ARG A 76 -3.023 20.765 5.535 1.00 0.00 N ATOM 1255 CZ ARG A 76 -1.738 20.921 5.188 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -1.253 20.285 4.114 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -0.939 21.713 5.916 1.00 0.00 N ATOM 0 H ARG A 76 -8.456 18.794 4.689 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.177 19.770 3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.848 18.237 5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.405 17.584 5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.833 20.532 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.896 19.407 6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.509 18.976 4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.286 20.410 3.875 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.360 21.263 6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.862 19.682 3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.275 20.404 3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.309 22.197 6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.039 21.832 5.652 1.00 0.00 H new ATOM 1271 N MET A 77 -6.853 16.574 2.882 1.00 0.00 N ATOM 1272 CA MET A 77 -6.583 15.443 2.010 1.00 0.00 C ATOM 1273 C MET A 77 -6.648 15.857 0.539 1.00 0.00 C ATOM 1274 O MET A 77 -5.849 15.397 -0.275 1.00 0.00 O ATOM 1275 CB MET A 77 -7.608 14.338 2.275 1.00 0.00 C ATOM 1276 CG MET A 77 -7.579 13.286 1.165 1.00 0.00 C ATOM 1277 SD MET A 77 -8.496 11.841 1.670 1.00 0.00 S ATOM 1278 CE MET A 77 -10.151 12.509 1.674 1.00 0.00 C ATOM 0 H MET A 77 -7.566 16.405 3.592 1.00 0.00 H new ATOM 0 HA MET A 77 -5.578 15.077 2.221 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.399 13.865 3.235 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.606 14.771 2.344 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.007 13.698 0.251 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.548 13.012 0.939 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.863 11.718 1.438 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.376 12.918 2.659 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.226 13.299 0.927 1.00 0.00 H new