USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 832 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 28 LYS NZ :NH3+ -157:sc= -0.0638 (180deg=-0.406) USER MOD Set 1.2: A 31 GLN : amide:sc= 0.018 K(o=-2.1,f=-3.2) USER MOD Set 1.3: A 109 SER OG : rot 151:sc= -2.04! USER MOD Single : A 1 SER N :NH3+ -170:sc= -0.0213 (180deg=-0.149) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 151:sc= -6.28! (180deg=-10.1!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.134 USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0566) USER MOD Single : A 13 LYS NZ :NH3+ -146:sc= -3.33! (180deg=-6.06!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -7.56! C(o=-7.6!,f=-9!) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= -0.11 (180deg=-0.497) USER MOD Single : A 32 MET CE :methyl 149:sc= -0.37 (180deg=-1.28!) USER MOD Single : A 36 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.509) USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= -0.0491 (180deg=-0.363) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= -0.0247 (180deg=-0.226) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= -0.0874 (180deg=-0.473) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -48:sc= 0.568 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -112:sc= 0.707 (180deg=-0.534) USER MOD Single : A 71 SER OG : rot 130:sc= -3.76! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -161:sc= -1.02 (180deg=-1.91!) USER MOD Single : A 82 THR OG1 : rot 66:sc= -1.33! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 96:sc= 1.15 USER MOD Single : A 86 MET CE :methyl 136:sc= -5.72! (180deg=-10.6!) USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.25) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -108:sc= 0.989 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.234 -5.036 6.592 1.00 0.00 N ATOM 2 CA SER A 1 5.300 -6.318 7.341 1.00 0.00 C ATOM 3 C SER A 1 5.775 -7.458 6.446 1.00 0.00 C ATOM 4 O SER A 1 6.422 -8.396 6.912 1.00 0.00 O ATOM 5 CB SER A 1 3.929 -6.658 7.926 1.00 0.00 C ATOM 6 OG SER A 1 3.495 -5.654 8.828 1.00 0.00 O ATOM 0 H1 SER A 1 5.074 -4.253 7.257 1.00 0.00 H new ATOM 0 H2 SER A 1 6.130 -4.883 6.086 1.00 0.00 H new ATOM 0 H3 SER A 1 4.452 -5.074 5.907 1.00 0.00 H new ATOM 0 HA SER A 1 6.020 -6.195 8.150 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.203 -6.766 7.120 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.978 -7.617 8.441 1.00 0.00 H new ATOM 0 HG SER A 1 2.615 -5.895 9.187 1.00 0.00 H new ATOM 14 N MET A 2 5.453 -7.376 5.159 1.00 0.00 N ATOM 15 CA MET A 2 5.851 -8.407 4.210 1.00 0.00 C ATOM 16 C MET A 2 7.361 -8.617 4.234 1.00 0.00 C ATOM 17 O MET A 2 8.131 -7.688 3.986 1.00 0.00 O ATOM 18 CB MET A 2 5.399 -8.037 2.801 1.00 0.00 C ATOM 19 CG MET A 2 3.904 -8.181 2.590 1.00 0.00 C ATOM 20 SD MET A 2 3.400 -9.860 2.160 1.00 0.00 S ATOM 21 CE MET A 2 3.503 -10.681 3.748 1.00 0.00 C ATOM 0 H MET A 2 4.919 -6.608 4.751 1.00 0.00 H new ATOM 0 HA MET A 2 5.368 -9.339 4.504 1.00 0.00 H new ATOM 0 HB2 MET A 2 5.690 -7.007 2.593 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.922 -8.668 2.082 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.385 -7.875 3.498 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.589 -7.501 1.799 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.783 -11.498 3.783 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.509 -11.078 3.888 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.281 -9.968 4.542 1.00 0.00 H new ATOM 31 N THR A 3 7.784 -9.843 4.532 1.00 0.00 N ATOM 32 CA THR A 3 9.204 -10.169 4.589 1.00 0.00 C ATOM 33 C THR A 3 9.529 -11.388 3.733 1.00 0.00 C ATOM 34 O THR A 3 10.555 -11.423 3.052 1.00 0.00 O ATOM 35 CB THR A 3 9.660 -10.437 6.035 1.00 0.00 C ATOM 36 OG1 THR A 3 8.844 -11.454 6.628 1.00 0.00 O ATOM 37 CG2 THR A 3 9.587 -9.167 6.870 1.00 0.00 C ATOM 0 H THR A 3 7.163 -10.626 4.737 1.00 0.00 H new ATOM 0 HA THR A 3 9.740 -9.304 4.198 1.00 0.00 H new ATOM 0 HB THR A 3 10.696 -10.776 6.008 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.143 -11.619 7.547 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.914 -9.381 7.888 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.235 -8.407 6.433 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.560 -8.802 6.888 1.00 0.00 H new ATOM 45 N ASP A 4 8.655 -12.388 3.773 1.00 0.00 N ATOM 46 CA ASP A 4 8.856 -13.609 3.001 1.00 0.00 C ATOM 47 C ASP A 4 8.336 -13.450 1.575 1.00 0.00 C ATOM 48 O ASP A 4 8.777 -14.151 0.665 1.00 0.00 O ATOM 49 CB ASP A 4 8.162 -14.787 3.687 1.00 0.00 C ATOM 50 CG ASP A 4 8.282 -16.072 2.891 1.00 0.00 C ATOM 51 OD1 ASP A 4 9.262 -16.816 3.107 1.00 0.00 O ATOM 52 OD2 ASP A 4 7.394 -16.338 2.054 1.00 0.00 O ATOM 0 H ASP A 4 7.801 -12.377 4.331 1.00 0.00 H new ATOM 0 HA ASP A 4 9.927 -13.806 2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.595 -14.934 4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.108 -14.550 3.832 1.00 0.00 H new ATOM 57 N LEU A 5 7.398 -12.526 1.384 1.00 0.00 N ATOM 58 CA LEU A 5 6.828 -12.280 0.064 1.00 0.00 C ATOM 59 C LEU A 5 7.462 -11.049 -0.581 1.00 0.00 C ATOM 60 O LEU A 5 8.219 -11.165 -1.545 1.00 0.00 O ATOM 61 CB LEU A 5 5.311 -12.097 0.160 1.00 0.00 C ATOM 62 CG LEU A 5 4.553 -13.266 0.785 1.00 0.00 C ATOM 63 CD1 LEU A 5 4.870 -13.366 2.267 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.057 -13.110 0.565 1.00 0.00 C ATOM 0 H LEU A 5 7.018 -11.937 2.125 1.00 0.00 H new ATOM 0 HA LEU A 5 7.040 -13.147 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.106 -11.199 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.918 -11.924 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 5 4.874 -14.188 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.323 -14.203 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.940 -13.524 2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.574 -12.443 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.533 -13.952 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.717 -12.182 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.847 -13.084 -0.504 1.00 0.00 H new ATOM 76 N LEU A 6 7.151 -9.873 -0.043 1.00 0.00 N ATOM 77 CA LEU A 6 7.696 -8.624 -0.561 1.00 0.00 C ATOM 78 C LEU A 6 9.143 -8.462 -0.128 1.00 0.00 C ATOM 79 O LEU A 6 9.522 -8.896 0.960 1.00 0.00 O ATOM 80 CB LEU A 6 6.876 -7.433 -0.059 1.00 0.00 C ATOM 81 CG LEU A 6 5.406 -7.446 -0.469 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.715 -6.164 -0.026 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.280 -7.634 -1.973 1.00 0.00 C ATOM 0 H LEU A 6 6.523 -9.760 0.753 1.00 0.00 H new ATOM 0 HA LEU A 6 7.648 -8.655 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.934 -7.403 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.333 -6.515 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 6 4.915 -8.284 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.668 -6.192 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.778 -6.073 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.204 -5.308 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.226 -7.641 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.785 -6.815 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.738 -8.580 -2.261 1.00 0.00 H new ATOM 95 N SER A 7 9.949 -7.836 -0.974 1.00 0.00 N ATOM 96 CA SER A 7 11.348 -7.631 -0.646 1.00 0.00 C ATOM 97 C SER A 7 11.465 -6.839 0.656 1.00 0.00 C ATOM 98 O SER A 7 11.174 -5.644 0.689 1.00 0.00 O ATOM 99 CB SER A 7 12.059 -6.884 -1.773 1.00 0.00 C ATOM 100 OG SER A 7 11.240 -6.802 -2.928 1.00 0.00 O ATOM 0 H SER A 7 9.661 -7.467 -1.880 1.00 0.00 H new ATOM 0 HA SER A 7 11.822 -8.604 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.323 -5.881 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.991 -7.393 -2.020 1.00 0.00 H new ATOM 0 HG SER A 7 11.717 -6.318 -3.634 1.00 0.00 H new ATOM 106 N ALA A 8 11.907 -7.506 1.719 1.00 0.00 N ATOM 107 CA ALA A 8 12.052 -6.860 3.021 1.00 0.00 C ATOM 108 C ALA A 8 13.133 -5.790 2.978 1.00 0.00 C ATOM 109 O ALA A 8 12.967 -4.695 3.514 1.00 0.00 O ATOM 110 CB ALA A 8 12.372 -7.894 4.091 1.00 0.00 C ATOM 0 H ALA A 8 12.170 -8.491 1.705 1.00 0.00 H new ATOM 0 HA ALA A 8 11.107 -6.378 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.477 -7.398 5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 8 11.565 -8.624 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.304 -8.401 3.840 1.00 0.00 H new ATOM 116 N GLU A 9 14.239 -6.124 2.332 1.00 0.00 N ATOM 117 CA GLU A 9 15.364 -5.211 2.199 1.00 0.00 C ATOM 118 C GLU A 9 14.936 -3.906 1.523 1.00 0.00 C ATOM 119 O GLU A 9 15.344 -2.817 1.929 1.00 0.00 O ATOM 120 CB GLU A 9 16.465 -5.900 1.385 1.00 0.00 C ATOM 121 CG GLU A 9 17.543 -4.963 0.875 1.00 0.00 C ATOM 122 CD GLU A 9 18.557 -5.672 -0.002 1.00 0.00 C ATOM 123 OE1 GLU A 9 18.306 -5.798 -1.217 1.00 0.00 O ATOM 124 OE2 GLU A 9 19.601 -6.106 0.530 1.00 0.00 O ATOM 0 H GLU A 9 14.382 -7.031 1.887 1.00 0.00 H new ATOM 0 HA GLU A 9 15.740 -4.958 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.930 -6.668 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.009 -6.407 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.080 -4.154 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.055 -4.507 1.722 1.00 0.00 H new ATOM 131 N ASP A 10 14.108 -4.033 0.498 1.00 0.00 N ATOM 132 CA ASP A 10 13.623 -2.885 -0.263 1.00 0.00 C ATOM 133 C ASP A 10 12.658 -2.023 0.538 1.00 0.00 C ATOM 134 O ASP A 10 12.834 -0.814 0.649 1.00 0.00 O ATOM 135 CB ASP A 10 12.906 -3.385 -1.497 1.00 0.00 C ATOM 136 CG ASP A 10 13.803 -4.211 -2.399 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.321 -5.249 -1.933 1.00 0.00 O ATOM 138 OD2 ASP A 10 13.989 -3.820 -3.570 1.00 0.00 O ATOM 0 H ASP A 10 13.752 -4.930 0.168 1.00 0.00 H new ATOM 0 HA ASP A 10 14.487 -2.272 -0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.048 -3.986 -1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.518 -2.534 -2.057 1.00 0.00 H new ATOM 143 N ILE A 11 11.638 -2.657 1.097 1.00 0.00 N ATOM 144 CA ILE A 11 10.628 -1.950 1.873 1.00 0.00 C ATOM 145 C ILE A 11 11.285 -1.127 2.974 1.00 0.00 C ATOM 146 O ILE A 11 10.827 -0.035 3.303 1.00 0.00 O ATOM 147 CB ILE A 11 9.641 -2.953 2.503 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.942 -3.788 1.429 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.612 -2.239 3.373 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.748 -5.234 1.825 1.00 0.00 C ATOM 0 H ILE A 11 11.487 -3.663 1.028 1.00 0.00 H new ATOM 0 HA ILE A 11 10.086 -1.283 1.203 1.00 0.00 H new ATOM 0 HB ILE A 11 10.218 -3.626 3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.970 -3.345 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.526 -3.746 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.929 -2.971 3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.122 -1.703 4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.049 -1.532 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.247 -5.768 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.718 -5.692 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.139 -5.286 2.727 1.00 0.00 H new ATOM 162 N LYS A 12 12.372 -1.642 3.531 1.00 0.00 N ATOM 163 CA LYS A 12 13.086 -0.927 4.579 1.00 0.00 C ATOM 164 C LYS A 12 13.789 0.303 4.008 1.00 0.00 C ATOM 165 O LYS A 12 13.625 1.415 4.513 1.00 0.00 O ATOM 166 CB LYS A 12 14.104 -1.847 5.256 1.00 0.00 C ATOM 167 CG LYS A 12 13.473 -2.892 6.159 1.00 0.00 C ATOM 168 CD LYS A 12 14.525 -3.646 6.955 1.00 0.00 C ATOM 169 CE LYS A 12 13.892 -4.604 7.950 1.00 0.00 C ATOM 170 NZ LYS A 12 13.121 -5.683 7.270 1.00 0.00 N ATOM 0 H LYS A 12 12.776 -2.544 3.278 1.00 0.00 H new ATOM 0 HA LYS A 12 12.360 -0.599 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.693 -2.350 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.795 -1.241 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.774 -2.410 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.897 -3.595 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.169 -4.201 6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.159 -2.936 7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.670 -5.049 8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.231 -4.050 8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.791 -6.371 7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.302 -5.269 6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.732 -6.163 6.578 1.00 0.00 H new ATOM 184 N LYS A 13 14.561 0.097 2.942 1.00 0.00 N ATOM 185 CA LYS A 13 15.295 1.190 2.308 1.00 0.00 C ATOM 186 C LYS A 13 14.352 2.156 1.607 1.00 0.00 C ATOM 187 O LYS A 13 14.390 3.359 1.841 1.00 0.00 O ATOM 188 CB LYS A 13 16.263 0.636 1.267 1.00 0.00 C ATOM 189 CG LYS A 13 17.135 -0.498 1.767 1.00 0.00 C ATOM 190 CD LYS A 13 17.596 -1.377 0.617 1.00 0.00 C ATOM 191 CE LYS A 13 18.881 -2.106 0.962 1.00 0.00 C ATOM 192 NZ LYS A 13 19.369 -2.936 -0.173 1.00 0.00 N ATOM 0 H LYS A 13 14.694 -0.813 2.501 1.00 0.00 H new ATOM 0 HA LYS A 13 15.835 1.717 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.692 0.287 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.904 1.445 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.001 -0.092 2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.580 -1.098 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.818 -2.101 0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.750 -0.766 -0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 13 19.647 -1.381 1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.716 -2.742 1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 19.826 -3.794 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.566 -3.204 -0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 20.056 -2.391 -0.732 1.00 0.00 H new ATOM 206 N ALA A 14 13.495 1.611 0.759 1.00 0.00 N ATOM 207 CA ALA A 14 12.546 2.404 -0.006 1.00 0.00 C ATOM 208 C ALA A 14 11.705 3.298 0.893 1.00 0.00 C ATOM 209 O ALA A 14 11.447 4.458 0.569 1.00 0.00 O ATOM 210 CB ALA A 14 11.655 1.488 -0.825 1.00 0.00 C ATOM 0 H ALA A 14 13.437 0.608 0.582 1.00 0.00 H new ATOM 0 HA ALA A 14 13.110 3.054 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.945 2.086 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.268 0.900 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.111 0.819 -0.159 1.00 0.00 H new ATOM 216 N ILE A 15 11.276 2.754 2.022 1.00 0.00 N ATOM 217 CA ILE A 15 10.452 3.497 2.958 1.00 0.00 C ATOM 218 C ILE A 15 11.214 4.657 3.607 1.00 0.00 C ATOM 219 O ILE A 15 10.745 5.795 3.603 1.00 0.00 O ATOM 220 CB ILE A 15 9.867 2.554 4.013 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.771 1.780 3.319 1.00 0.00 C ATOM 222 CG2 ILE A 15 9.312 3.301 5.224 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.951 0.925 4.234 1.00 0.00 C ATOM 0 H ILE A 15 11.486 1.799 2.311 1.00 0.00 H new ATOM 0 HA ILE A 15 9.631 3.942 2.396 1.00 0.00 H new ATOM 0 HB ILE A 15 10.646 1.901 4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.112 2.483 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.218 1.147 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.910 2.585 5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.110 3.875 5.694 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.519 3.977 4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.187 0.403 3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.595 0.196 4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.473 1.552 4.986 1.00 0.00 H new ATOM 235 N GLY A 16 12.393 4.369 4.150 1.00 0.00 N ATOM 236 CA GLY A 16 13.174 5.401 4.816 1.00 0.00 C ATOM 237 C GLY A 16 14.128 6.147 3.898 1.00 0.00 C ATOM 238 O GLY A 16 14.781 7.099 4.327 1.00 0.00 O ATOM 0 H GLY A 16 12.822 3.444 4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.493 6.118 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.746 4.944 5.623 1.00 0.00 H new ATOM 242 N ALA A 17 14.216 5.730 2.640 1.00 0.00 N ATOM 243 CA ALA A 17 15.117 6.377 1.688 1.00 0.00 C ATOM 244 C ALA A 17 14.510 7.646 1.104 1.00 0.00 C ATOM 245 O ALA A 17 15.154 8.695 1.074 1.00 0.00 O ATOM 246 CB ALA A 17 15.489 5.417 0.567 1.00 0.00 C ATOM 0 H ALA A 17 13.679 4.952 2.256 1.00 0.00 H new ATOM 0 HA ALA A 17 16.017 6.658 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.160 5.916 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.987 4.543 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.587 5.103 0.042 1.00 0.00 H new ATOM 252 N PHE A 18 13.271 7.549 0.641 1.00 0.00 N ATOM 253 CA PHE A 18 12.593 8.694 0.044 1.00 0.00 C ATOM 254 C PHE A 18 11.145 8.814 0.518 1.00 0.00 C ATOM 255 O PHE A 18 10.204 8.729 -0.270 1.00 0.00 O ATOM 256 CB PHE A 18 12.682 8.613 -1.487 1.00 0.00 C ATOM 257 CG PHE A 18 11.728 7.654 -2.164 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.163 6.578 -1.489 1.00 0.00 C ATOM 259 CD2 PHE A 18 11.411 7.833 -3.501 1.00 0.00 C ATOM 260 CE1 PHE A 18 10.301 5.710 -2.137 1.00 0.00 C ATOM 261 CE2 PHE A 18 10.549 6.971 -4.149 1.00 0.00 C ATOM 262 CZ PHE A 18 9.994 5.909 -3.467 1.00 0.00 C ATOM 0 H PHE A 18 12.716 6.694 0.667 1.00 0.00 H new ATOM 0 HA PHE A 18 13.100 9.600 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.510 9.610 -1.893 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.700 8.330 -1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.399 6.417 -0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.845 8.659 -4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.869 4.877 -1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.309 7.129 -5.190 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.320 5.234 -3.973 1.00 0.00 H new ATOM 272 N THR A 19 10.980 9.042 1.819 1.00 0.00 N ATOM 273 CA THR A 19 9.655 9.177 2.414 1.00 0.00 C ATOM 274 C THR A 19 8.800 10.180 1.641 1.00 0.00 C ATOM 275 O THR A 19 7.649 9.901 1.323 1.00 0.00 O ATOM 276 CB THR A 19 9.744 9.624 3.885 1.00 0.00 C ATOM 277 OG1 THR A 19 10.340 10.925 3.966 1.00 0.00 O ATOM 278 CG2 THR A 19 10.562 8.635 4.701 1.00 0.00 C ATOM 0 H THR A 19 11.750 9.137 2.481 1.00 0.00 H new ATOM 0 HA THR A 19 9.187 8.194 2.366 1.00 0.00 H new ATOM 0 HB THR A 19 8.734 9.661 4.293 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.392 11.203 4.904 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.611 8.971 5.737 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.091 7.653 4.660 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.570 8.572 4.292 1.00 0.00 H new ATOM 286 N ALA A 20 9.372 11.343 1.341 1.00 0.00 N ATOM 287 CA ALA A 20 8.670 12.387 0.599 1.00 0.00 C ATOM 288 C ALA A 20 7.940 11.813 -0.609 1.00 0.00 C ATOM 289 O ALA A 20 6.746 12.052 -0.792 1.00 0.00 O ATOM 290 CB ALA A 20 9.647 13.467 0.160 1.00 0.00 C ATOM 0 H ALA A 20 10.327 11.587 1.603 1.00 0.00 H new ATOM 0 HA ALA A 20 7.926 12.828 1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.112 14.239 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.119 13.909 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.412 13.027 -0.480 1.00 0.00 H new ATOM 296 N ALA A 21 8.657 11.051 -1.432 1.00 0.00 N ATOM 297 CA ALA A 21 8.055 10.436 -2.611 1.00 0.00 C ATOM 298 C ALA A 21 6.796 9.686 -2.216 1.00 0.00 C ATOM 299 O ALA A 21 5.740 9.841 -2.830 1.00 0.00 O ATOM 300 CB ALA A 21 9.042 9.506 -3.295 1.00 0.00 C ATOM 0 H ALA A 21 9.648 10.846 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 21 7.788 11.221 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.573 9.058 -4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.921 10.072 -3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.341 8.720 -2.602 1.00 0.00 H new ATOM 306 N ASP A 22 6.928 8.868 -1.184 1.00 0.00 N ATOM 307 CA ASP A 22 5.806 8.108 -0.661 1.00 0.00 C ATOM 308 C ASP A 22 4.793 9.072 -0.068 1.00 0.00 C ATOM 309 O ASP A 22 3.585 8.842 -0.104 1.00 0.00 O ATOM 310 CB ASP A 22 6.273 7.128 0.421 1.00 0.00 C ATOM 311 CG ASP A 22 7.481 6.313 0.003 1.00 0.00 C ATOM 312 OD1 ASP A 22 8.322 6.836 -0.753 1.00 0.00 O ATOM 313 OD2 ASP A 22 7.590 5.150 0.444 1.00 0.00 O ATOM 0 H ASP A 22 7.807 8.714 -0.690 1.00 0.00 H new ATOM 0 HA ASP A 22 5.354 7.537 -1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.513 7.684 1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.454 6.452 0.669 1.00 0.00 H new ATOM 318 N SER A 23 5.317 10.163 0.477 1.00 0.00 N ATOM 319 CA SER A 23 4.505 11.195 1.091 1.00 0.00 C ATOM 320 C SER A 23 3.479 11.740 0.102 1.00 0.00 C ATOM 321 O SER A 23 2.281 11.759 0.384 1.00 0.00 O ATOM 322 CB SER A 23 5.412 12.328 1.586 1.00 0.00 C ATOM 323 OG SER A 23 4.832 13.002 2.689 1.00 0.00 O ATOM 0 H SER A 23 6.319 10.353 0.503 1.00 0.00 H new ATOM 0 HA SER A 23 3.966 10.763 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.382 11.922 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.590 13.036 0.776 1.00 0.00 H new ATOM 0 HG SER A 23 5.431 13.718 2.986 1.00 0.00 H new ATOM 329 N PHE A 24 3.956 12.186 -1.057 1.00 0.00 N ATOM 330 CA PHE A 24 3.076 12.742 -2.079 1.00 0.00 C ATOM 331 C PHE A 24 2.683 11.708 -3.139 1.00 0.00 C ATOM 332 O PHE A 24 1.822 11.982 -3.974 1.00 0.00 O ATOM 333 CB PHE A 24 3.732 13.950 -2.747 1.00 0.00 C ATOM 334 CG PHE A 24 5.008 13.629 -3.474 1.00 0.00 C ATOM 335 CD1 PHE A 24 4.975 13.022 -4.718 1.00 0.00 C ATOM 336 CD2 PHE A 24 6.238 13.940 -2.916 1.00 0.00 C ATOM 337 CE1 PHE A 24 6.144 12.732 -5.394 1.00 0.00 C ATOM 338 CE2 PHE A 24 7.411 13.651 -3.588 1.00 0.00 C ATOM 339 CZ PHE A 24 7.363 13.046 -4.829 1.00 0.00 C ATOM 0 H PHE A 24 4.944 12.173 -1.311 1.00 0.00 H new ATOM 0 HA PHE A 24 2.162 13.055 -1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.026 14.391 -3.451 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.938 14.704 -1.988 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.024 12.772 -5.165 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.280 14.413 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.104 12.260 -6.364 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.364 13.898 -3.143 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.278 12.819 -5.356 1.00 0.00 H new ATOM 349 N ASP A 25 3.310 10.531 -3.114 1.00 0.00 N ATOM 350 CA ASP A 25 2.990 9.489 -4.096 1.00 0.00 C ATOM 351 C ASP A 25 3.641 8.148 -3.753 1.00 0.00 C ATOM 352 O ASP A 25 4.781 7.888 -4.138 1.00 0.00 O ATOM 353 CB ASP A 25 3.428 9.924 -5.497 1.00 0.00 C ATOM 354 CG ASP A 25 2.337 10.673 -6.239 1.00 0.00 C ATOM 355 OD1 ASP A 25 1.346 10.029 -6.645 1.00 0.00 O ATOM 356 OD2 ASP A 25 2.473 11.902 -6.414 1.00 0.00 O ATOM 0 H ASP A 25 4.030 10.276 -2.438 1.00 0.00 H new ATOM 0 HA ASP A 25 1.909 9.352 -4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.311 10.558 -5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.718 9.045 -6.073 1.00 0.00 H new ATOM 361 N HIS A 26 2.911 7.297 -3.030 1.00 0.00 N ATOM 362 CA HIS A 26 3.421 5.974 -2.672 1.00 0.00 C ATOM 363 C HIS A 26 3.496 5.074 -3.908 1.00 0.00 C ATOM 364 O HIS A 26 4.132 4.023 -3.877 1.00 0.00 O ATOM 365 CB HIS A 26 2.552 5.313 -1.589 1.00 0.00 C ATOM 366 CG HIS A 26 2.403 6.132 -0.345 1.00 0.00 C ATOM 367 ND1 HIS A 26 3.197 5.959 0.770 1.00 0.00 N ATOM 368 CD2 HIS A 26 1.536 7.125 -0.037 1.00 0.00 C ATOM 369 CE1 HIS A 26 2.825 6.809 1.708 1.00 0.00 C ATOM 370 NE2 HIS A 26 1.820 7.529 1.244 1.00 0.00 N ATOM 0 H HIS A 26 1.973 7.498 -2.684 1.00 0.00 H new ATOM 0 HA HIS A 26 4.425 6.105 -2.268 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.563 5.115 -2.002 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.987 4.349 -1.327 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.953 5.280 0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.765 7.525 -0.679 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.267 6.900 2.689 1.00 0.00 H new ATOM 379 N LYS A 27 2.836 5.485 -4.998 1.00 0.00 N ATOM 380 CA LYS A 27 2.849 4.724 -6.231 1.00 0.00 C ATOM 381 C LYS A 27 4.277 4.355 -6.618 1.00 0.00 C ATOM 382 O LYS A 27 4.582 3.187 -6.853 1.00 0.00 O ATOM 383 CB LYS A 27 2.183 5.526 -7.344 1.00 0.00 C ATOM 384 CG LYS A 27 0.679 5.660 -7.186 1.00 0.00 C ATOM 385 CD LYS A 27 -0.051 4.941 -8.303 1.00 0.00 C ATOM 386 CE LYS A 27 -0.019 5.734 -9.599 1.00 0.00 C ATOM 387 NZ LYS A 27 -0.711 7.046 -9.468 1.00 0.00 N ATOM 0 H LYS A 27 2.288 6.344 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 27 2.289 3.801 -6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.626 6.521 -7.377 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.398 5.050 -8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.373 5.250 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.402 6.714 -7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.403 3.963 -8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.086 4.767 -8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.016 5.899 -9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.491 5.153 -10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.012 7.375 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.545 6.939 -8.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.061 7.741 -9.049 1.00 0.00 H new ATOM 401 N LYS A 28 5.156 5.352 -6.663 1.00 0.00 N ATOM 402 CA LYS A 28 6.553 5.109 -6.998 1.00 0.00 C ATOM 403 C LYS A 28 7.124 4.141 -5.984 1.00 0.00 C ATOM 404 O LYS A 28 7.790 3.167 -6.333 1.00 0.00 O ATOM 405 CB LYS A 28 7.352 6.413 -6.966 1.00 0.00 C ATOM 406 CG LYS A 28 7.229 7.258 -8.228 1.00 0.00 C ATOM 407 CD LYS A 28 5.795 7.687 -8.494 1.00 0.00 C ATOM 408 CE LYS A 28 5.059 6.677 -9.362 1.00 0.00 C ATOM 409 NZ LYS A 28 5.606 6.631 -10.746 1.00 0.00 N ATOM 0 H LYS A 28 4.927 6.328 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 28 6.618 4.694 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.022 7.006 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.403 6.177 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.860 8.142 -8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.601 6.690 -9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.269 7.805 -7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.791 8.660 -8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.132 5.688 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.000 6.933 -9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.882 6.258 -11.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.876 7.590 -11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.442 6.013 -10.768 1.00 0.00 H new ATOM 423 N PHE A 29 6.854 4.428 -4.720 1.00 0.00 N ATOM 424 CA PHE A 29 7.294 3.573 -3.636 1.00 0.00 C ATOM 425 C PHE A 29 6.801 2.150 -3.880 1.00 0.00 C ATOM 426 O PHE A 29 7.490 1.182 -3.574 1.00 0.00 O ATOM 427 CB PHE A 29 6.765 4.102 -2.301 1.00 0.00 C ATOM 428 CG PHE A 29 6.919 3.137 -1.164 1.00 0.00 C ATOM 429 CD1 PHE A 29 8.175 2.757 -0.722 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.804 2.608 -0.543 1.00 0.00 C ATOM 431 CE1 PHE A 29 8.312 1.866 0.322 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.937 1.714 0.500 1.00 0.00 C ATOM 433 CZ PHE A 29 7.190 1.342 0.932 1.00 0.00 C ATOM 0 H PHE A 29 6.330 5.251 -4.422 1.00 0.00 H new ATOM 0 HA PHE A 29 8.383 3.570 -3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.288 5.026 -2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.710 4.352 -2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.055 3.162 -1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.818 2.897 -0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.296 1.579 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.058 1.306 0.977 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.295 0.641 1.747 1.00 0.00 H new ATOM 443 N PHE A 30 5.597 2.044 -4.439 1.00 0.00 N ATOM 444 CA PHE A 30 5.002 0.751 -4.748 1.00 0.00 C ATOM 445 C PHE A 30 5.966 -0.089 -5.577 1.00 0.00 C ATOM 446 O PHE A 30 5.995 -1.316 -5.474 1.00 0.00 O ATOM 447 CB PHE A 30 3.698 0.954 -5.520 1.00 0.00 C ATOM 448 CG PHE A 30 2.571 0.115 -5.001 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.377 -1.166 -5.476 1.00 0.00 C ATOM 450 CD2 PHE A 30 1.709 0.609 -4.035 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.341 -1.946 -5.001 1.00 0.00 C ATOM 452 CE2 PHE A 30 0.673 -0.166 -3.554 1.00 0.00 C ATOM 453 CZ PHE A 30 0.488 -1.446 -4.037 1.00 0.00 C ATOM 0 H PHE A 30 5.014 2.844 -4.687 1.00 0.00 H new ATOM 0 HA PHE A 30 4.792 0.228 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.413 2.005 -5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.865 0.718 -6.571 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.043 -1.563 -6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.849 1.610 -3.655 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.198 -2.946 -5.383 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.008 0.229 -2.800 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.322 -2.055 -3.662 1.00 0.00 H new ATOM 463 N GLN A 31 6.751 0.596 -6.394 1.00 0.00 N ATOM 464 CA GLN A 31 7.726 -0.043 -7.268 1.00 0.00 C ATOM 465 C GLN A 31 9.042 -0.337 -6.543 1.00 0.00 C ATOM 466 O GLN A 31 9.591 -1.432 -6.667 1.00 0.00 O ATOM 467 CB GLN A 31 7.966 0.855 -8.484 1.00 0.00 C ATOM 468 CG GLN A 31 6.697 1.495 -9.021 1.00 0.00 C ATOM 469 CD GLN A 31 6.905 2.182 -10.356 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.746 1.771 -11.157 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.139 3.241 -10.601 1.00 0.00 N ATOM 0 H GLN A 31 6.731 1.613 -6.471 1.00 0.00 H new ATOM 0 HA GLN A 31 7.325 -1.004 -7.590 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.673 1.639 -8.213 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.430 0.266 -9.275 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.927 0.731 -9.127 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.328 2.222 -8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.455 3.547 -9.909 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.235 3.748 -11.481 1.00 0.00 H new ATOM 480 N MET A 32 9.541 0.633 -5.788 1.00 0.00 N ATOM 481 CA MET A 32 10.799 0.460 -5.056 1.00 0.00 C ATOM 482 C MET A 32 10.613 -0.481 -3.874 1.00 0.00 C ATOM 483 O MET A 32 11.511 -1.245 -3.518 1.00 0.00 O ATOM 484 CB MET A 32 11.341 1.797 -4.541 1.00 0.00 C ATOM 485 CG MET A 32 10.823 3.013 -5.285 1.00 0.00 C ATOM 486 SD MET A 32 11.989 4.388 -5.266 1.00 0.00 S ATOM 487 CE MET A 32 13.384 3.663 -6.123 1.00 0.00 C ATOM 0 H MET A 32 9.101 1.545 -5.664 1.00 0.00 H new ATOM 0 HA MET A 32 11.516 0.034 -5.758 1.00 0.00 H new ATOM 0 HB2 MET A 32 11.086 1.896 -3.486 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.429 1.783 -4.606 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.608 2.738 -6.318 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.882 3.334 -4.838 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.920 4.440 -6.668 1.00 0.00 H new ATOM 0 HE2 MET A 32 14.054 3.198 -5.400 1.00 0.00 H new ATOM 0 HE3 MET A 32 13.028 2.908 -6.824 1.00 0.00 H new ATOM 497 N VAL A 33 9.436 -0.413 -3.277 1.00 0.00 N ATOM 498 CA VAL A 33 9.100 -1.238 -2.123 1.00 0.00 C ATOM 499 C VAL A 33 9.072 -2.717 -2.478 1.00 0.00 C ATOM 500 O VAL A 33 9.195 -3.579 -1.610 1.00 0.00 O ATOM 501 CB VAL A 33 7.728 -0.839 -1.557 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.630 -1.118 -2.566 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.441 -1.565 -0.267 1.00 0.00 C ATOM 0 H VAL A 33 8.687 0.212 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 33 9.875 -1.071 -1.375 1.00 0.00 H new ATOM 0 HB VAL A 33 7.753 0.231 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.667 -0.828 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.816 -0.545 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.617 -2.182 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.464 -1.263 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.445 -2.640 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.207 -1.317 0.468 1.00 0.00 H new ATOM 513 N GLY A 34 8.911 -3.003 -3.757 1.00 0.00 N ATOM 514 CA GLY A 34 8.877 -4.377 -4.204 1.00 0.00 C ATOM 515 C GLY A 34 7.480 -4.962 -4.195 1.00 0.00 C ATOM 516 O GLY A 34 7.316 -6.180 -4.271 1.00 0.00 O ATOM 0 H GLY A 34 8.803 -2.308 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.284 -4.436 -5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.522 -4.979 -3.564 1.00 0.00 H new ATOM 520 N LEU A 35 6.468 -4.103 -4.107 1.00 0.00 N ATOM 521 CA LEU A 35 5.089 -4.567 -4.108 1.00 0.00 C ATOM 522 C LEU A 35 4.804 -5.228 -5.441 1.00 0.00 C ATOM 523 O LEU A 35 4.039 -6.186 -5.535 1.00 0.00 O ATOM 524 CB LEU A 35 4.124 -3.412 -3.849 1.00 0.00 C ATOM 525 CG LEU A 35 3.555 -3.371 -2.433 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.223 -1.942 -2.026 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.322 -4.249 -2.346 1.00 0.00 C ATOM 0 H LEU A 35 6.578 -3.091 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 35 4.944 -5.290 -3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.640 -2.472 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.298 -3.479 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 35 4.308 -3.752 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.819 -1.937 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.128 -1.335 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.484 -1.530 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.922 -4.215 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.569 -3.889 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.588 -5.276 -2.596 1.00 0.00 H new ATOM 539 N LYS A 36 5.442 -4.694 -6.476 1.00 0.00 N ATOM 540 CA LYS A 36 5.317 -5.237 -7.815 1.00 0.00 C ATOM 541 C LYS A 36 6.262 -6.430 -7.975 1.00 0.00 C ATOM 542 O LYS A 36 6.049 -7.294 -8.825 1.00 0.00 O ATOM 543 CB LYS A 36 5.642 -4.163 -8.855 1.00 0.00 C ATOM 544 CG LYS A 36 4.586 -3.069 -8.955 1.00 0.00 C ATOM 545 CD LYS A 36 5.214 -1.684 -9.073 1.00 0.00 C ATOM 546 CE LYS A 36 6.337 -1.655 -10.095 1.00 0.00 C ATOM 547 NZ LYS A 36 5.922 -2.254 -11.394 1.00 0.00 N ATOM 0 H LYS A 36 6.054 -3.881 -6.408 1.00 0.00 H new ATOM 0 HA LYS A 36 4.291 -5.570 -7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.601 -3.708 -8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.756 -4.636 -9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.951 -3.255 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.943 -3.103 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.448 -0.961 -9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.600 -1.377 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.655 -0.625 -10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.198 -2.197 -9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.368 -1.732 -12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.220 -3.250 -11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.888 -2.199 -11.487 1.00 0.00 H new ATOM 561 N LYS A 37 7.312 -6.465 -7.142 1.00 0.00 N ATOM 562 CA LYS A 37 8.288 -7.552 -7.171 1.00 0.00 C ATOM 563 C LYS A 37 7.574 -8.898 -7.175 1.00 0.00 C ATOM 564 O LYS A 37 7.944 -9.812 -7.912 1.00 0.00 O ATOM 565 CB LYS A 37 9.233 -7.447 -5.960 1.00 0.00 C ATOM 566 CG LYS A 37 10.616 -8.021 -6.211 1.00 0.00 C ATOM 567 CD LYS A 37 10.560 -9.494 -6.576 1.00 0.00 C ATOM 568 CE LYS A 37 11.952 -10.094 -6.658 1.00 0.00 C ATOM 569 NZ LYS A 37 12.642 -10.078 -5.338 1.00 0.00 N ATOM 0 H LYS A 37 7.503 -5.750 -6.441 1.00 0.00 H new ATOM 0 HA LYS A 37 8.881 -7.471 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.331 -6.399 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.783 -7.965 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.099 -7.466 -7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.230 -7.891 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.972 -10.033 -5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.052 -9.615 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.884 -11.120 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.545 -9.538 -7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.437 -10.749 -5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.001 -9.121 -5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.971 -10.353 -4.592 1.00 0.00 H new ATOM 583 N LYS A 38 6.537 -9.004 -6.351 1.00 0.00 N ATOM 584 CA LYS A 38 5.746 -10.224 -6.270 1.00 0.00 C ATOM 585 C LYS A 38 4.451 -10.055 -7.053 1.00 0.00 C ATOM 586 O LYS A 38 4.203 -9.002 -7.637 1.00 0.00 O ATOM 587 CB LYS A 38 5.421 -10.562 -4.813 1.00 0.00 C ATOM 588 CG LYS A 38 6.640 -10.766 -3.931 1.00 0.00 C ATOM 589 CD LYS A 38 7.266 -12.128 -4.165 1.00 0.00 C ATOM 590 CE LYS A 38 8.397 -12.053 -5.178 1.00 0.00 C ATOM 591 NZ LYS A 38 8.809 -13.403 -5.654 1.00 0.00 N ATOM 0 H LYS A 38 6.225 -8.258 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 38 6.328 -11.040 -6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.814 -9.760 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.814 -11.467 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.374 -9.986 -4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.354 -10.669 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.646 -12.522 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.505 -12.824 -4.518 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.082 -11.449 -6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.253 -11.550 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.582 -13.307 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.134 -13.972 -4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.999 -13.874 -6.106 1.00 0.00 H new ATOM 605 N SER A 39 3.627 -11.094 -7.063 1.00 0.00 N ATOM 606 CA SER A 39 2.355 -11.042 -7.769 1.00 0.00 C ATOM 607 C SER A 39 1.274 -10.461 -6.867 1.00 0.00 C ATOM 608 O SER A 39 1.439 -10.409 -5.649 1.00 0.00 O ATOM 609 CB SER A 39 1.945 -12.436 -8.245 1.00 0.00 C ATOM 610 OG SER A 39 2.921 -12.986 -9.114 1.00 0.00 O ATOM 0 H SER A 39 3.816 -11.979 -6.592 1.00 0.00 H new ATOM 0 HA SER A 39 2.473 -10.398 -8.640 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.808 -13.092 -7.385 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.986 -12.381 -8.759 1.00 0.00 H new ATOM 0 HG SER A 39 2.636 -13.878 -9.403 1.00 0.00 H new ATOM 616 N ALA A 40 0.169 -10.022 -7.458 1.00 0.00 N ATOM 617 CA ALA A 40 -0.924 -9.449 -6.684 1.00 0.00 C ATOM 618 C ALA A 40 -1.311 -10.369 -5.530 1.00 0.00 C ATOM 619 O ALA A 40 -1.749 -9.911 -4.476 1.00 0.00 O ATOM 620 CB ALA A 40 -2.120 -9.189 -7.585 1.00 0.00 C ATOM 0 H ALA A 40 0.007 -10.052 -8.465 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.591 -8.501 -6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.932 -8.761 -6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.837 -8.492 -8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.450 -10.127 -8.031 1.00 0.00 H new ATOM 626 N ASP A 41 -1.130 -11.669 -5.737 1.00 0.00 N ATOM 627 CA ASP A 41 -1.455 -12.659 -4.717 1.00 0.00 C ATOM 628 C ASP A 41 -0.560 -12.493 -3.493 1.00 0.00 C ATOM 629 O ASP A 41 -1.038 -12.497 -2.358 1.00 0.00 O ATOM 630 CB ASP A 41 -1.307 -14.072 -5.285 1.00 0.00 C ATOM 631 CG ASP A 41 -2.135 -14.284 -6.536 1.00 0.00 C ATOM 632 OD1 ASP A 41 -1.615 -14.024 -7.643 1.00 0.00 O ATOM 633 OD2 ASP A 41 -3.302 -14.707 -6.411 1.00 0.00 O ATOM 0 H ASP A 41 -0.760 -12.062 -6.603 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.490 -12.504 -4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.258 -14.261 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.606 -14.797 -4.528 1.00 0.00 H new ATOM 638 N ASP A 42 0.740 -12.351 -3.729 1.00 0.00 N ATOM 639 CA ASP A 42 1.699 -12.186 -2.643 1.00 0.00 C ATOM 640 C ASP A 42 1.421 -10.910 -1.855 1.00 0.00 C ATOM 641 O ASP A 42 1.290 -10.940 -0.632 1.00 0.00 O ATOM 642 CB ASP A 42 3.116 -12.143 -3.208 1.00 0.00 C ATOM 643 CG ASP A 42 3.434 -13.353 -4.068 1.00 0.00 C ATOM 644 OD1 ASP A 42 3.188 -13.293 -5.292 1.00 0.00 O ATOM 645 OD2 ASP A 42 3.931 -14.358 -3.518 1.00 0.00 O ATOM 0 H ASP A 42 1.153 -12.347 -4.662 1.00 0.00 H new ATOM 0 HA ASP A 42 1.599 -13.035 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.240 -11.237 -3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.830 -12.087 -2.386 1.00 0.00 H new ATOM 650 N VAL A 43 1.333 -9.791 -2.567 1.00 0.00 N ATOM 651 CA VAL A 43 1.065 -8.503 -1.937 1.00 0.00 C ATOM 652 C VAL A 43 -0.244 -8.548 -1.160 1.00 0.00 C ATOM 653 O VAL A 43 -0.351 -8.006 -0.061 1.00 0.00 O ATOM 654 CB VAL A 43 0.983 -7.377 -2.984 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.309 -7.217 -3.714 1.00 0.00 C ATOM 656 CG2 VAL A 43 -0.143 -7.652 -3.970 1.00 0.00 C ATOM 0 H VAL A 43 1.443 -9.750 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 43 1.891 -8.298 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 43 0.769 -6.442 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.226 -6.416 -4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.092 -6.972 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.560 -8.149 -4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.189 -6.847 -4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.042 -8.598 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.090 -7.708 -3.434 1.00 0.00 H new ATOM 666 N LYS A 44 -1.224 -9.238 -1.728 1.00 0.00 N ATOM 667 CA LYS A 44 -2.543 -9.365 -1.120 1.00 0.00 C ATOM 668 C LYS A 44 -2.446 -9.802 0.335 1.00 0.00 C ATOM 669 O LYS A 44 -3.299 -9.461 1.146 1.00 0.00 O ATOM 670 CB LYS A 44 -3.398 -10.359 -1.907 1.00 0.00 C ATOM 671 CG LYS A 44 -4.236 -9.714 -2.999 1.00 0.00 C ATOM 672 CD LYS A 44 -4.944 -10.756 -3.846 1.00 0.00 C ATOM 673 CE LYS A 44 -5.822 -10.109 -4.907 1.00 0.00 C ATOM 674 NZ LYS A 44 -6.503 -11.122 -5.759 1.00 0.00 N ATOM 0 H LYS A 44 -1.128 -9.724 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.016 -8.383 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.747 -11.109 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.059 -10.883 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.972 -9.048 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.598 -9.100 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.206 -11.399 -4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.554 -11.393 -3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.569 -9.479 -4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.213 -9.458 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.091 -10.640 -6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.790 -11.707 -6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.104 -11.728 -5.165 1.00 0.00 H new ATOM 688 N LYS A 45 -1.411 -10.559 0.662 1.00 0.00 N ATOM 689 CA LYS A 45 -1.241 -11.047 2.021 1.00 0.00 C ATOM 690 C LYS A 45 -1.160 -9.881 2.988 1.00 0.00 C ATOM 691 O LYS A 45 -1.934 -9.793 3.950 1.00 0.00 O ATOM 692 CB LYS A 45 0.015 -11.917 2.128 1.00 0.00 C ATOM 693 CG LYS A 45 -0.179 -13.333 1.608 1.00 0.00 C ATOM 694 CD LYS A 45 -0.459 -13.352 0.114 1.00 0.00 C ATOM 695 CE LYS A 45 -0.771 -14.758 -0.374 1.00 0.00 C ATOM 696 NZ LYS A 45 0.324 -15.714 -0.055 1.00 0.00 N ATOM 0 H LYS A 45 -0.681 -10.847 0.011 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.105 -11.659 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.824 -11.443 1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.328 -11.962 3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.713 -13.923 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.006 -13.805 2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.298 -12.693 -0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.404 -12.961 -0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.698 -15.103 0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.934 -14.740 -1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.153 -16.614 -0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.233 -15.316 -0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.351 -15.881 0.971 1.00 0.00 H new ATOM 710 N VAL A 46 -0.251 -8.949 2.699 1.00 0.00 N ATOM 711 CA VAL A 46 -0.068 -7.786 3.552 1.00 0.00 C ATOM 712 C VAL A 46 -1.404 -7.106 3.796 1.00 0.00 C ATOM 713 O VAL A 46 -1.597 -6.421 4.799 1.00 0.00 O ATOM 714 CB VAL A 46 0.950 -6.777 2.956 1.00 0.00 C ATOM 715 CG1 VAL A 46 0.314 -5.859 1.918 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.599 -5.964 4.065 1.00 0.00 C ATOM 0 H VAL A 46 0.364 -8.981 1.886 1.00 0.00 H new ATOM 0 HA VAL A 46 0.341 -8.135 4.500 1.00 0.00 H new ATOM 0 HB VAL A 46 1.718 -7.355 2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.066 -5.172 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.086 -6.457 1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.493 -5.291 2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.310 -5.261 3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.832 -5.414 4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.121 -6.633 4.749 1.00 0.00 H new ATOM 726 N PHE A 47 -2.329 -7.290 2.858 1.00 0.00 N ATOM 727 CA PHE A 47 -3.640 -6.693 2.988 1.00 0.00 C ATOM 728 C PHE A 47 -4.243 -7.029 4.335 1.00 0.00 C ATOM 729 O PHE A 47 -4.439 -6.162 5.162 1.00 0.00 O ATOM 730 CB PHE A 47 -4.586 -7.185 1.906 1.00 0.00 C ATOM 731 CG PHE A 47 -5.904 -6.466 1.904 1.00 0.00 C ATOM 732 CD1 PHE A 47 -5.956 -5.095 1.747 1.00 0.00 C ATOM 733 CD2 PHE A 47 -7.090 -7.164 2.066 1.00 0.00 C ATOM 734 CE1 PHE A 47 -7.167 -4.428 1.747 1.00 0.00 C ATOM 735 CE2 PHE A 47 -8.303 -6.502 2.068 1.00 0.00 C ATOM 736 CZ PHE A 47 -8.342 -5.131 1.908 1.00 0.00 C ATOM 0 H PHE A 47 -2.191 -7.842 2.012 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.511 -5.615 2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.111 -7.062 0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.761 -8.252 2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.040 -4.537 1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.066 -8.236 2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.193 -3.356 1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.221 -7.057 2.195 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.289 -4.612 1.909 1.00 0.00 H new ATOM 746 N HIS A 48 -4.450 -8.308 4.586 1.00 0.00 N ATOM 747 CA HIS A 48 -5.061 -8.723 5.837 1.00 0.00 C ATOM 748 C HIS A 48 -4.143 -8.366 6.990 1.00 0.00 C ATOM 749 O HIS A 48 -4.598 -8.047 8.089 1.00 0.00 O ATOM 750 CB HIS A 48 -5.357 -10.224 5.828 1.00 0.00 C ATOM 751 CG HIS A 48 -6.259 -10.651 4.709 1.00 0.00 C ATOM 752 ND1 HIS A 48 -5.792 -11.195 3.531 1.00 0.00 N ATOM 753 CD2 HIS A 48 -7.607 -10.613 4.596 1.00 0.00 C ATOM 754 CE1 HIS A 48 -6.815 -11.472 2.741 1.00 0.00 C ATOM 755 NE2 HIS A 48 -7.926 -11.130 3.364 1.00 0.00 N ATOM 0 H HIS A 48 -4.209 -9.069 3.951 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.009 -8.199 5.958 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.417 -10.771 5.755 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.814 -10.502 6.778 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.302 -10.245 5.336 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.752 -11.905 1.753 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.870 -11.233 2.991 1.00 0.00 H new ATOM 764 N ILE A 49 -2.840 -8.425 6.730 1.00 0.00 N ATOM 765 CA ILE A 49 -1.852 -8.075 7.736 1.00 0.00 C ATOM 766 C ILE A 49 -2.151 -6.692 8.284 1.00 0.00 C ATOM 767 O ILE A 49 -2.186 -6.479 9.496 1.00 0.00 O ATOM 768 CB ILE A 49 -0.431 -8.076 7.147 1.00 0.00 C ATOM 769 CG1 ILE A 49 -0.093 -9.472 6.610 1.00 0.00 C ATOM 770 CG2 ILE A 49 0.586 -7.618 8.192 1.00 0.00 C ATOM 771 CD1 ILE A 49 1.381 -9.699 6.367 1.00 0.00 C ATOM 0 H ILE A 49 -2.448 -8.711 5.833 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.904 -8.820 8.530 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.387 -7.370 6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.453 -10.219 7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.633 -9.631 5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.585 -7.626 7.756 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.341 -6.608 8.520 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.558 -8.293 9.047 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.536 -10.709 5.988 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.744 -8.977 5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.927 -9.574 7.302 1.00 0.00 H new ATOM 783 N LEU A 50 -2.362 -5.755 7.370 1.00 0.00 N ATOM 784 CA LEU A 50 -2.651 -4.390 7.739 1.00 0.00 C ATOM 785 C LEU A 50 -4.158 -4.159 7.952 1.00 0.00 C ATOM 786 O LEU A 50 -4.545 -3.317 8.763 1.00 0.00 O ATOM 787 CB LEU A 50 -2.068 -3.468 6.675 1.00 0.00 C ATOM 788 CG LEU A 50 -2.762 -3.496 5.319 1.00 0.00 C ATOM 789 CD1 LEU A 50 -3.974 -2.583 5.321 1.00 0.00 C ATOM 790 CD2 LEU A 50 -1.794 -3.096 4.217 1.00 0.00 C ATOM 0 H LEU A 50 -2.337 -5.924 6.364 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.185 -4.166 8.698 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.093 -2.446 7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.020 -3.729 6.531 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.100 -4.514 5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.456 -2.616 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.678 -2.914 6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.660 -1.562 5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.307 -3.122 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.425 -2.088 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.955 -3.792 4.199 1.00 0.00 H new ATOM 802 N ASP A 51 -5.010 -4.906 7.238 1.00 0.00 N ATOM 803 CA ASP A 51 -6.463 -4.774 7.414 1.00 0.00 C ATOM 804 C ASP A 51 -7.082 -6.096 7.858 1.00 0.00 C ATOM 805 O ASP A 51 -7.954 -6.640 7.182 1.00 0.00 O ATOM 806 CB ASP A 51 -7.181 -4.282 6.148 1.00 0.00 C ATOM 807 CG ASP A 51 -6.576 -4.771 4.854 1.00 0.00 C ATOM 808 OD1 ASP A 51 -6.767 -5.960 4.523 1.00 0.00 O ATOM 809 OD2 ASP A 51 -5.921 -3.966 4.163 1.00 0.00 O ATOM 0 H ASP A 51 -4.725 -5.597 6.544 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.600 -4.019 8.188 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.223 -4.600 6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.180 -3.192 6.146 1.00 0.00 H new ATOM 814 N LYS A 52 -6.622 -6.604 8.993 1.00 0.00 N ATOM 815 CA LYS A 52 -7.128 -7.860 9.532 1.00 0.00 C ATOM 816 C LYS A 52 -8.548 -7.708 10.072 1.00 0.00 C ATOM 817 O LYS A 52 -9.360 -8.628 9.970 1.00 0.00 O ATOM 818 CB LYS A 52 -6.200 -8.378 10.636 1.00 0.00 C ATOM 819 CG LYS A 52 -6.320 -7.630 11.955 1.00 0.00 C ATOM 820 CD LYS A 52 -5.679 -6.253 11.881 1.00 0.00 C ATOM 821 CE LYS A 52 -5.470 -5.663 13.266 1.00 0.00 C ATOM 822 NZ LYS A 52 -4.485 -6.446 14.059 1.00 0.00 N ATOM 0 H LYS A 52 -5.897 -6.165 9.560 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.154 -8.582 8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.413 -9.433 10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.169 -8.314 10.288 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.372 -7.528 12.221 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.846 -8.210 12.747 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.721 -6.323 11.366 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.310 -5.588 11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.125 -4.633 13.174 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.422 -5.634 13.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.090 -5.847 14.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.957 -7.269 14.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.718 -6.770 13.437 1.00 0.00 H new ATOM 836 N ASP A 53 -8.845 -6.545 10.647 1.00 0.00 N ATOM 837 CA ASP A 53 -10.166 -6.290 11.214 1.00 0.00 C ATOM 838 C ASP A 53 -10.910 -5.196 10.448 1.00 0.00 C ATOM 839 O ASP A 53 -11.776 -4.520 11.005 1.00 0.00 O ATOM 840 CB ASP A 53 -10.037 -5.900 12.688 1.00 0.00 C ATOM 841 CG ASP A 53 -11.386 -5.723 13.360 1.00 0.00 C ATOM 842 OD1 ASP A 53 -11.960 -6.733 13.815 1.00 0.00 O ATOM 843 OD2 ASP A 53 -11.866 -4.572 13.430 1.00 0.00 O ATOM 0 H ASP A 53 -8.191 -5.767 10.732 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.746 -7.209 11.129 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.469 -6.667 13.215 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.470 -4.972 12.767 1.00 0.00 H new ATOM 848 N LYS A 54 -10.575 -5.024 9.173 1.00 0.00 N ATOM 849 CA LYS A 54 -11.232 -4.011 8.348 1.00 0.00 C ATOM 850 C LYS A 54 -12.357 -4.612 7.504 1.00 0.00 C ATOM 851 O LYS A 54 -13.047 -3.891 6.785 1.00 0.00 O ATOM 852 CB LYS A 54 -10.224 -3.315 7.451 1.00 0.00 C ATOM 853 CG LYS A 54 -8.978 -2.852 8.187 1.00 0.00 C ATOM 854 CD LYS A 54 -9.321 -1.860 9.285 1.00 0.00 C ATOM 855 CE LYS A 54 -8.099 -1.502 10.117 1.00 0.00 C ATOM 856 NZ LYS A 54 -8.414 -0.489 11.161 1.00 0.00 N ATOM 0 H LYS A 54 -9.859 -5.567 8.690 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.673 -3.278 9.024 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.932 -3.994 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.700 -2.454 6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.467 -3.713 8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.286 -2.392 7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.738 -0.956 8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.091 -2.283 9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.707 -2.402 10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.315 -1.118 9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.555 -0.273 11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.764 0.379 10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.143 -0.864 11.800 1.00 0.00 H new ATOM 870 N SER A 55 -12.531 -5.933 7.585 1.00 0.00 N ATOM 871 CA SER A 55 -13.584 -6.626 6.840 1.00 0.00 C ATOM 872 C SER A 55 -13.233 -6.782 5.359 1.00 0.00 C ATOM 873 O SER A 55 -14.089 -7.145 4.552 1.00 0.00 O ATOM 874 CB SER A 55 -14.920 -5.890 6.983 1.00 0.00 C ATOM 875 OG SER A 55 -15.991 -6.681 6.499 1.00 0.00 O ATOM 0 H SER A 55 -11.954 -6.546 8.161 1.00 0.00 H new ATOM 0 HA SER A 55 -13.674 -7.624 7.269 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.092 -5.641 8.030 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.881 -4.949 6.434 1.00 0.00 H new ATOM 0 HG SER A 55 -15.759 -7.041 5.618 1.00 0.00 H new ATOM 881 N GLY A 56 -11.982 -6.509 5.003 1.00 0.00 N ATOM 882 CA GLY A 56 -11.566 -6.647 3.616 1.00 0.00 C ATOM 883 C GLY A 56 -11.588 -5.339 2.848 1.00 0.00 C ATOM 884 O GLY A 56 -11.556 -5.336 1.618 1.00 0.00 O ATOM 0 H GLY A 56 -11.252 -6.197 5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.558 -7.061 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.219 -7.363 3.118 1.00 0.00 H new ATOM 888 N PHE A 57 -11.643 -4.224 3.569 1.00 0.00 N ATOM 889 CA PHE A 57 -11.665 -2.909 2.937 1.00 0.00 C ATOM 890 C PHE A 57 -11.137 -1.846 3.893 1.00 0.00 C ATOM 891 O PHE A 57 -11.500 -1.819 5.069 1.00 0.00 O ATOM 892 CB PHE A 57 -13.085 -2.550 2.488 1.00 0.00 C ATOM 893 CG PHE A 57 -13.732 -3.614 1.647 1.00 0.00 C ATOM 894 CD1 PHE A 57 -14.459 -4.634 2.240 1.00 0.00 C ATOM 895 CD2 PHE A 57 -13.610 -3.595 0.267 1.00 0.00 C ATOM 896 CE1 PHE A 57 -15.053 -5.616 1.471 1.00 0.00 C ATOM 897 CE2 PHE A 57 -14.201 -4.575 -0.507 1.00 0.00 C ATOM 898 CZ PHE A 57 -14.924 -5.587 0.095 1.00 0.00 C ATOM 0 H PHE A 57 -11.673 -4.204 4.588 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.019 -2.944 2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -13.701 -2.368 3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.055 -1.619 1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.562 -4.661 3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.047 -2.806 -0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.618 -6.406 1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.098 -4.550 -1.582 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.387 -6.354 -0.508 1.00 0.00 H new ATOM 908 N ILE A 58 -10.279 -0.972 3.382 1.00 0.00 N ATOM 909 CA ILE A 58 -9.699 0.088 4.196 1.00 0.00 C ATOM 910 C ILE A 58 -10.336 1.426 3.875 1.00 0.00 C ATOM 911 O ILE A 58 -10.556 1.767 2.717 1.00 0.00 O ATOM 912 CB ILE A 58 -8.177 0.202 3.998 1.00 0.00 C ATOM 913 CG1 ILE A 58 -7.556 -1.177 3.762 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.545 0.869 5.208 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.101 -1.116 3.355 1.00 0.00 C ATOM 0 H ILE A 58 -9.970 -0.976 2.410 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.896 -0.177 5.235 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.986 0.815 3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.647 -1.769 4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.121 -1.695 2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.468 0.946 5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.966 1.866 5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.747 0.274 6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.723 -2.127 3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.006 -0.550 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.524 -0.626 4.139 1.00 0.00 H new ATOM 927 N GLU A 59 -10.604 2.188 4.916 1.00 0.00 N ATOM 928 CA GLU A 59 -11.236 3.481 4.779 1.00 0.00 C ATOM 929 C GLU A 59 -10.237 4.608 4.992 1.00 0.00 C ATOM 930 O GLU A 59 -9.513 4.643 5.983 1.00 0.00 O ATOM 931 CB GLU A 59 -12.373 3.568 5.782 1.00 0.00 C ATOM 932 CG GLU A 59 -13.730 3.235 5.183 1.00 0.00 C ATOM 933 CD GLU A 59 -14.382 4.431 4.519 1.00 0.00 C ATOM 934 OE1 GLU A 59 -15.028 5.228 5.232 1.00 0.00 O ATOM 935 OE2 GLU A 59 -14.248 4.571 3.286 1.00 0.00 O ATOM 0 H GLU A 59 -10.390 1.927 5.879 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.626 3.590 3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.172 2.887 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.405 4.575 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.614 2.436 4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.386 2.856 5.967 1.00 0.00 H new ATOM 942 N GLU A 60 -10.224 5.532 4.033 1.00 0.00 N ATOM 943 CA GLU A 60 -9.329 6.693 4.045 1.00 0.00 C ATOM 944 C GLU A 60 -9.079 7.221 5.452 1.00 0.00 C ATOM 945 O GLU A 60 -8.000 7.737 5.742 1.00 0.00 O ATOM 946 CB GLU A 60 -9.922 7.801 3.185 1.00 0.00 C ATOM 947 CG GLU A 60 -11.337 8.133 3.589 1.00 0.00 C ATOM 948 CD GLU A 60 -11.448 9.480 4.277 1.00 0.00 C ATOM 949 OE1 GLU A 60 -11.606 10.496 3.568 1.00 0.00 O ATOM 950 OE2 GLU A 60 -11.377 9.519 5.523 1.00 0.00 O ATOM 0 H GLU A 60 -10.838 5.498 3.219 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.369 6.369 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.303 8.694 3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.906 7.496 2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.974 8.128 2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.712 7.357 4.256 1.00 0.00 H new ATOM 957 N ASP A 61 -10.079 7.105 6.318 1.00 0.00 N ATOM 958 CA ASP A 61 -9.941 7.574 7.690 1.00 0.00 C ATOM 959 C ASP A 61 -8.912 6.729 8.428 1.00 0.00 C ATOM 960 O ASP A 61 -7.993 7.256 9.056 1.00 0.00 O ATOM 961 CB ASP A 61 -11.288 7.524 8.413 1.00 0.00 C ATOM 962 CG ASP A 61 -12.316 8.442 7.784 1.00 0.00 C ATOM 963 OD1 ASP A 61 -12.373 9.626 8.178 1.00 0.00 O ATOM 964 OD2 ASP A 61 -13.064 7.978 6.899 1.00 0.00 O ATOM 0 H ASP A 61 -10.986 6.694 6.097 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.600 8.609 7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.664 6.501 8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.147 7.802 9.457 1.00 0.00 H new ATOM 969 N GLU A 62 -9.075 5.413 8.346 1.00 0.00 N ATOM 970 CA GLU A 62 -8.151 4.487 8.986 1.00 0.00 C ATOM 971 C GLU A 62 -6.959 4.205 8.075 1.00 0.00 C ATOM 972 O GLU A 62 -5.908 3.755 8.533 1.00 0.00 O ATOM 973 CB GLU A 62 -8.865 3.179 9.336 1.00 0.00 C ATOM 974 CG GLU A 62 -9.999 3.349 10.334 1.00 0.00 C ATOM 975 CD GLU A 62 -9.534 3.953 11.645 1.00 0.00 C ATOM 976 OE1 GLU A 62 -9.117 3.187 12.538 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.586 5.193 11.778 1.00 0.00 O ATOM 0 H GLU A 62 -9.840 4.964 7.842 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.787 4.946 9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.261 2.736 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.138 2.476 9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.770 3.985 9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.457 2.379 10.527 1.00 0.00 H new ATOM 984 N LEU A 63 -7.127 4.474 6.780 1.00 0.00 N ATOM 985 CA LEU A 63 -6.072 4.251 5.804 1.00 0.00 C ATOM 986 C LEU A 63 -4.787 4.927 6.249 1.00 0.00 C ATOM 987 O LEU A 63 -3.741 4.291 6.357 1.00 0.00 O ATOM 988 CB LEU A 63 -6.500 4.799 4.437 1.00 0.00 C ATOM 989 CG LEU A 63 -5.865 4.128 3.207 1.00 0.00 C ATOM 990 CD1 LEU A 63 -4.445 3.661 3.496 1.00 0.00 C ATOM 991 CD2 LEU A 63 -6.720 2.963 2.735 1.00 0.00 C ATOM 0 H LEU A 63 -7.990 4.848 6.386 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.894 3.179 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.583 4.709 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.266 5.863 4.406 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.815 4.873 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.028 3.192 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.831 4.516 3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.458 2.940 4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.256 2.500 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.806 2.227 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.713 3.325 2.467 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.887 6.209 6.538 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.730 6.969 6.969 1.00 0.00 C ATOM 1005 C GLY A 64 -3.137 6.428 8.249 1.00 0.00 C ATOM 1006 O GLY A 64 -1.970 6.669 8.554 1.00 0.00 O ATOM 0 H GLY A 64 -5.753 6.745 6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.973 6.952 6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.015 8.011 7.115 1.00 0.00 H new ATOM 1010 N SER A 65 -3.945 5.691 8.998 1.00 0.00 N ATOM 1011 CA SER A 65 -3.493 5.098 10.244 1.00 0.00 C ATOM 1012 C SER A 65 -2.763 3.800 9.945 1.00 0.00 C ATOM 1013 O SER A 65 -1.573 3.671 10.193 1.00 0.00 O ATOM 1014 CB SER A 65 -4.676 4.831 11.174 1.00 0.00 C ATOM 1015 OG SER A 65 -5.386 6.026 11.454 1.00 0.00 O ATOM 0 H SER A 65 -4.917 5.491 8.763 1.00 0.00 H new ATOM 0 HA SER A 65 -2.817 5.792 10.743 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.347 4.105 10.715 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.319 4.390 12.105 1.00 0.00 H new ATOM 0 HG SER A 65 -6.139 5.827 12.049 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.483 2.860 9.355 1.00 0.00 N ATOM 1022 CA ILE A 66 -2.917 1.562 9.012 1.00 0.00 C ATOM 1023 C ILE A 66 -1.653 1.710 8.160 1.00 0.00 C ATOM 1024 O ILE A 66 -0.850 0.782 8.054 1.00 0.00 O ATOM 1025 CB ILE A 66 -3.939 0.695 8.261 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -3.378 -0.695 8.042 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.319 1.338 6.937 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -2.838 -1.337 9.301 1.00 0.00 C ATOM 0 H ILE A 66 -4.465 2.971 9.102 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.653 1.072 9.949 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.842 0.615 8.866 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.159 -1.331 7.626 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.581 -0.643 7.300 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.044 0.708 6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.757 2.319 7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.429 1.449 6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.453 -2.330 9.067 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.034 -0.723 9.707 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.637 -1.422 10.038 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.488 2.882 7.556 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.330 3.188 6.726 1.00 0.00 C ATOM 1042 C LEU A 67 0.970 2.725 7.359 1.00 0.00 C ATOM 1043 O LEU A 67 1.784 2.070 6.710 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.278 4.704 6.533 1.00 0.00 C ATOM 1045 CG LEU A 67 -0.445 5.224 5.098 1.00 0.00 C ATOM 1046 CD1 LEU A 67 0.908 5.349 4.418 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -1.367 4.333 4.276 1.00 0.00 C ATOM 0 H LEU A 67 -2.157 3.649 7.629 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.435 2.662 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.057 5.152 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.677 5.063 6.916 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.906 6.210 5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.772 5.719 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.533 6.046 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.391 4.372 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.458 4.736 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.952 3.326 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.351 4.298 4.743 1.00 0.00 H new ATOM 1059 N LYS A 68 1.167 3.063 8.624 1.00 0.00 N ATOM 1060 CA LYS A 68 2.396 2.696 9.300 1.00 0.00 C ATOM 1061 C LYS A 68 2.716 1.211 9.162 1.00 0.00 C ATOM 1062 O LYS A 68 3.851 0.808 9.403 1.00 0.00 O ATOM 1063 CB LYS A 68 2.353 3.119 10.758 1.00 0.00 C ATOM 1064 CG LYS A 68 1.034 2.846 11.441 1.00 0.00 C ATOM 1065 CD LYS A 68 0.607 1.395 11.295 1.00 0.00 C ATOM 1066 CE LYS A 68 -0.354 0.985 12.399 1.00 0.00 C ATOM 1067 NZ LYS A 68 -1.515 1.911 12.497 1.00 0.00 N ATOM 0 H LYS A 68 0.501 3.583 9.194 1.00 0.00 H new ATOM 0 HA LYS A 68 3.207 3.234 8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.144 2.600 11.299 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.569 4.185 10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.115 3.095 12.499 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.266 3.494 11.019 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.132 1.250 10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.486 0.751 11.319 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.712 -0.027 12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.175 0.964 13.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.461 2.443 13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.498 2.575 11.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.399 1.363 12.474 1.00 0.00 H new ATOM 1081 N GLY A 69 1.734 0.384 8.776 1.00 0.00 N ATOM 1082 CA GLY A 69 2.015 -1.037 8.585 1.00 0.00 C ATOM 1083 C GLY A 69 3.286 -1.219 7.777 1.00 0.00 C ATOM 1084 O GLY A 69 4.177 -1.981 8.156 1.00 0.00 O ATOM 0 H GLY A 69 0.770 0.666 8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.118 -1.527 9.553 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.179 -1.514 8.073 1.00 0.00 H new ATOM 1088 N PHE A 70 3.356 -0.508 6.655 1.00 0.00 N ATOM 1089 CA PHE A 70 4.534 -0.523 5.810 1.00 0.00 C ATOM 1090 C PHE A 70 5.400 0.689 6.152 1.00 0.00 C ATOM 1091 O PHE A 70 6.580 0.569 6.477 1.00 0.00 O ATOM 1092 CB PHE A 70 4.151 -0.512 4.315 1.00 0.00 C ATOM 1093 CG PHE A 70 3.721 0.826 3.755 1.00 0.00 C ATOM 1094 CD1 PHE A 70 4.671 1.771 3.397 1.00 0.00 C ATOM 1095 CD2 PHE A 70 2.378 1.131 3.554 1.00 0.00 C ATOM 1096 CE1 PHE A 70 4.300 2.989 2.863 1.00 0.00 C ATOM 1097 CE2 PHE A 70 2.002 2.355 3.011 1.00 0.00 C ATOM 1098 CZ PHE A 70 2.966 3.281 2.670 1.00 0.00 C ATOM 0 H PHE A 70 2.602 0.088 6.313 1.00 0.00 H new ATOM 0 HA PHE A 70 5.093 -1.440 5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.004 -0.869 3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.342 -1.226 4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.719 1.550 3.538 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.620 0.410 3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.055 3.714 2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.957 2.580 2.857 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.676 4.234 2.252 1.00 0.00 H new ATOM 1108 N SER A 71 4.739 1.843 6.152 1.00 0.00 N ATOM 1109 CA SER A 71 5.342 3.149 6.412 1.00 0.00 C ATOM 1110 C SER A 71 5.835 3.346 7.850 1.00 0.00 C ATOM 1111 O SER A 71 6.277 4.439 8.194 1.00 0.00 O ATOM 1112 CB SER A 71 4.357 4.257 6.054 1.00 0.00 C ATOM 1113 OG SER A 71 3.162 4.146 6.809 1.00 0.00 O ATOM 0 H SER A 71 3.738 1.898 5.965 1.00 0.00 H new ATOM 0 HA SER A 71 6.229 3.195 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.817 5.228 6.237 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.124 4.210 4.990 1.00 0.00 H new ATOM 0 HG SER A 71 2.950 5.012 7.215 1.00 0.00 H new ATOM 1119 N SER A 72 5.737 2.330 8.705 1.00 0.00 N ATOM 1120 CA SER A 72 6.179 2.476 10.096 1.00 0.00 C ATOM 1121 C SER A 72 7.538 3.182 10.183 1.00 0.00 C ATOM 1122 O SER A 72 7.862 3.787 11.205 1.00 0.00 O ATOM 1123 CB SER A 72 6.272 1.107 10.777 1.00 0.00 C ATOM 1124 OG SER A 72 6.901 0.159 9.933 1.00 0.00 O ATOM 0 H SER A 72 5.363 1.411 8.468 1.00 0.00 H new ATOM 0 HA SER A 72 5.438 3.088 10.610 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.832 1.198 11.708 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.273 0.759 11.039 1.00 0.00 H new ATOM 0 HG SER A 72 6.949 -0.706 10.391 1.00 0.00 H new ATOM 1130 N ASP A 73 8.330 3.104 9.114 1.00 0.00 N ATOM 1131 CA ASP A 73 9.628 3.768 9.081 1.00 0.00 C ATOM 1132 C ASP A 73 9.516 5.139 8.408 1.00 0.00 C ATOM 1133 O ASP A 73 10.311 6.041 8.676 1.00 0.00 O ATOM 1134 CB ASP A 73 10.654 2.896 8.362 1.00 0.00 C ATOM 1135 CG ASP A 73 11.970 3.614 8.120 1.00 0.00 C ATOM 1136 OD1 ASP A 73 12.077 4.331 7.103 1.00 0.00 O ATOM 1137 OD2 ASP A 73 12.893 3.457 8.948 1.00 0.00 O ATOM 0 H ASP A 73 8.095 2.590 8.265 1.00 0.00 H new ATOM 0 HA ASP A 73 9.964 3.920 10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.838 1.998 8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.242 2.571 7.407 1.00 0.00 H new ATOM 1142 N ALA A 74 8.522 5.285 7.532 1.00 0.00 N ATOM 1143 CA ALA A 74 8.290 6.541 6.821 1.00 0.00 C ATOM 1144 C ALA A 74 7.032 7.243 7.341 1.00 0.00 C ATOM 1145 O ALA A 74 6.498 6.877 8.388 1.00 0.00 O ATOM 1146 CB ALA A 74 8.179 6.282 5.325 1.00 0.00 C ATOM 0 H ALA A 74 7.861 4.544 7.297 1.00 0.00 H new ATOM 0 HA ALA A 74 9.139 7.200 7.002 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.006 7.224 4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.104 5.832 4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.347 5.604 5.134 1.00 0.00 H new ATOM 1152 N ARG A 75 6.562 8.250 6.606 1.00 0.00 N ATOM 1153 CA ARG A 75 5.371 9.003 7.004 1.00 0.00 C ATOM 1154 C ARG A 75 4.086 8.305 6.561 1.00 0.00 C ATOM 1155 O ARG A 75 4.123 7.245 5.942 1.00 0.00 O ATOM 1156 CB ARG A 75 5.421 10.418 6.425 1.00 0.00 C ATOM 1157 CG ARG A 75 6.596 11.241 6.927 1.00 0.00 C ATOM 1158 CD ARG A 75 6.630 12.615 6.278 1.00 0.00 C ATOM 1159 NE ARG A 75 7.742 13.425 6.767 1.00 0.00 N ATOM 1160 CZ ARG A 75 8.006 14.651 6.330 1.00 0.00 C ATOM 1161 NH1 ARG A 75 7.241 15.207 5.402 1.00 0.00 N ATOM 1162 NH2 ARG A 75 9.038 15.323 6.824 1.00 0.00 N ATOM 0 H ARG A 75 6.986 8.564 5.733 1.00 0.00 H new ATOM 0 HA ARG A 75 5.365 9.056 8.093 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.471 10.355 5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.494 10.935 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.529 11.350 8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.527 10.715 6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.711 12.503 5.197 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.691 13.132 6.475 1.00 0.00 H new ATOM 0 HE ARG A 75 8.349 13.027 7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.446 14.693 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.447 16.149 5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.628 14.898 7.539 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.241 16.265 6.489 1.00 0.00 H new ATOM 1176 N ASP A 76 2.948 8.921 6.881 1.00 0.00 N ATOM 1177 CA ASP A 76 1.642 8.364 6.533 1.00 0.00 C ATOM 1178 C ASP A 76 1.141 8.910 5.196 1.00 0.00 C ATOM 1179 O ASP A 76 1.880 9.570 4.467 1.00 0.00 O ATOM 1180 CB ASP A 76 0.632 8.683 7.639 1.00 0.00 C ATOM 1181 CG ASP A 76 1.156 8.336 9.017 1.00 0.00 C ATOM 1182 OD1 ASP A 76 1.069 7.152 9.407 1.00 0.00 O ATOM 1183 OD2 ASP A 76 1.652 9.248 9.711 1.00 0.00 O ATOM 0 H ASP A 76 2.905 9.808 7.382 1.00 0.00 H new ATOM 0 HA ASP A 76 1.749 7.284 6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.383 9.744 7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.290 8.132 7.455 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.125 8.626 4.880 1.00 0.00 N ATOM 1189 CA LEU A 77 -0.731 9.084 3.634 1.00 0.00 C ATOM 1190 C LEU A 77 -1.450 10.416 3.844 1.00 0.00 C ATOM 1191 O LEU A 77 -2.144 10.607 4.842 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.689 8.005 3.085 1.00 0.00 C ATOM 1193 CG LEU A 77 -3.185 8.187 3.380 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -3.901 8.706 2.153 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -3.807 6.877 3.819 1.00 0.00 C ATOM 0 H LEU A 77 -0.749 8.079 5.474 1.00 0.00 H new ATOM 0 HA LEU A 77 0.054 9.248 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.560 7.956 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.379 7.040 3.487 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.287 8.912 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.961 8.831 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.476 9.667 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.783 7.995 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.867 7.028 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.692 6.136 3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.310 6.523 4.722 1.00 0.00 H new ATOM 1207 N SER A 78 -1.269 11.337 2.905 1.00 0.00 N ATOM 1208 CA SER A 78 -1.901 12.648 2.991 1.00 0.00 C ATOM 1209 C SER A 78 -3.062 12.749 2.010 1.00 0.00 C ATOM 1210 O SER A 78 -3.400 11.781 1.333 1.00 0.00 O ATOM 1211 CB SER A 78 -0.880 13.751 2.708 1.00 0.00 C ATOM 1212 OG SER A 78 -0.355 13.637 1.396 1.00 0.00 O ATOM 0 H SER A 78 -0.690 11.201 2.076 1.00 0.00 H new ATOM 0 HA SER A 78 -2.287 12.775 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.351 14.726 2.831 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.069 13.695 3.434 1.00 0.00 H new ATOM 0 HG SER A 78 0.294 14.355 1.240 1.00 0.00 H new ATOM 1218 N ALA A 79 -3.666 13.929 1.931 1.00 0.00 N ATOM 1219 CA ALA A 79 -4.790 14.155 1.026 1.00 0.00 C ATOM 1220 C ALA A 79 -4.480 13.620 -0.366 1.00 0.00 C ATOM 1221 O ALA A 79 -5.270 12.881 -0.955 1.00 0.00 O ATOM 1222 CB ALA A 79 -5.101 15.639 0.950 1.00 0.00 C ATOM 0 H ALA A 79 -3.398 14.744 2.482 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.658 13.622 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.940 15.801 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.359 16.008 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.227 16.175 0.579 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.321 14.007 -0.880 1.00 0.00 N ATOM 1229 CA LYS A 80 -2.879 13.577 -2.201 1.00 0.00 C ATOM 1230 C LYS A 80 -2.978 12.059 -2.360 1.00 0.00 C ATOM 1231 O LYS A 80 -3.567 11.574 -3.321 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.439 14.033 -2.446 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.260 15.542 -2.371 1.00 0.00 C ATOM 1234 CD LYS A 80 0.209 15.936 -2.421 1.00 0.00 C ATOM 1235 CE LYS A 80 0.697 16.119 -3.849 1.00 0.00 C ATOM 1236 NZ LYS A 80 0.554 14.876 -4.654 1.00 0.00 N ATOM 0 H LYS A 80 -2.665 14.622 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.537 14.036 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.787 13.561 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.118 13.685 -3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.792 16.013 -3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.706 15.916 -1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.356 16.862 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.808 15.170 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.135 16.924 -4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.743 16.424 -3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.171 14.930 -5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.825 14.055 -4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.435 14.772 -4.960 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.400 11.318 -1.417 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.417 9.865 -1.469 1.00 0.00 C ATOM 1252 C GLU A 81 -3.797 9.303 -1.180 1.00 0.00 C ATOM 1253 O GLU A 81 -4.158 8.256 -1.705 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.418 9.273 -0.489 1.00 0.00 C ATOM 1255 CG GLU A 81 -0.081 9.992 -0.441 1.00 0.00 C ATOM 1256 CD GLU A 81 0.658 9.923 -1.756 1.00 0.00 C ATOM 1257 OE1 GLU A 81 0.267 10.646 -2.696 1.00 0.00 O ATOM 1258 OE2 GLU A 81 1.628 9.144 -1.847 1.00 0.00 O ATOM 0 H GLU A 81 -1.914 11.705 -0.608 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.137 9.586 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.857 9.283 0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.246 8.229 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.243 11.036 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.536 9.553 0.343 1.00 0.00 H new ATOM 1265 N THR A 82 -4.580 9.964 -0.334 1.00 0.00 N ATOM 1266 CA THR A 82 -5.917 9.459 -0.059 1.00 0.00 C ATOM 1267 C THR A 82 -6.656 9.317 -1.379 1.00 0.00 C ATOM 1268 O THR A 82 -7.263 8.290 -1.672 1.00 0.00 O ATOM 1269 CB THR A 82 -6.720 10.392 0.866 1.00 0.00 C ATOM 1270 OG1 THR A 82 -5.977 10.658 2.063 1.00 0.00 O ATOM 1271 CG2 THR A 82 -8.056 9.761 1.222 1.00 0.00 C ATOM 0 H THR A 82 -4.324 10.820 0.157 1.00 0.00 H new ATOM 0 HA THR A 82 -5.818 8.501 0.451 1.00 0.00 H new ATOM 0 HB THR A 82 -6.900 11.330 0.340 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.169 11.165 1.840 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.612 10.432 1.876 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.629 9.584 0.312 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.886 8.814 1.734 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.599 10.380 -2.164 1.00 0.00 N ATOM 1280 CA LYS A 83 -7.194 10.397 -3.485 1.00 0.00 C ATOM 1281 C LYS A 83 -6.328 9.635 -4.488 1.00 0.00 C ATOM 1282 O LYS A 83 -6.828 8.838 -5.274 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.395 11.838 -3.959 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.440 12.607 -3.166 1.00 0.00 C ATOM 1285 CD LYS A 83 -9.823 12.481 -3.788 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.257 11.030 -3.903 1.00 0.00 C ATOM 1287 NZ LYS A 83 -11.643 10.904 -4.430 1.00 0.00 N ATOM 0 H LYS A 83 -6.140 11.252 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.163 9.903 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.444 12.367 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.685 11.827 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.466 12.235 -2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.158 13.659 -3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.545 13.030 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.821 12.940 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.569 10.497 -4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.196 10.555 -2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.900 9.898 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.303 11.391 -3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.695 11.335 -5.375 1.00 0.00 H new ATOM 1301 N THR A 84 -5.013 9.853 -4.417 1.00 0.00 N ATOM 1302 CA THR A 84 -4.080 9.263 -5.368 1.00 0.00 C ATOM 1303 C THR A 84 -3.841 7.779 -5.139 1.00 0.00 C ATOM 1304 O THR A 84 -4.040 6.958 -6.038 1.00 0.00 O ATOM 1305 CB THR A 84 -2.723 9.999 -5.341 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.913 11.387 -5.643 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.751 9.392 -6.344 1.00 0.00 C ATOM 0 H THR A 84 -4.573 10.437 -3.706 1.00 0.00 H new ATOM 0 HA THR A 84 -4.551 9.375 -6.345 1.00 0.00 H new ATOM 0 HB THR A 84 -2.302 9.894 -4.341 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.984 11.897 -4.809 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.804 9.930 -6.304 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.584 8.343 -6.099 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.169 9.468 -7.348 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.441 7.437 -3.933 1.00 0.00 N ATOM 1316 CA LEU A 85 -3.136 6.051 -3.605 1.00 0.00 C ATOM 1317 C LEU A 85 -4.383 5.188 -3.467 1.00 0.00 C ATOM 1318 O LEU A 85 -4.410 4.062 -3.965 1.00 0.00 O ATOM 1319 CB LEU A 85 -2.277 5.966 -2.349 1.00 0.00 C ATOM 1320 CG LEU A 85 -0.777 5.853 -2.627 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.470 4.554 -3.360 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.300 7.046 -3.440 1.00 0.00 C ATOM 0 H LEU A 85 -3.318 8.093 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.570 5.650 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.457 6.850 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.593 5.103 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.246 5.847 -1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.601 4.488 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.782 3.708 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.009 4.535 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.769 6.952 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.836 7.078 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.491 7.964 -2.885 1.00 0.00 H new ATOM 1334 N MET A 86 -5.415 5.693 -2.804 1.00 0.00 N ATOM 1335 CA MET A 86 -6.635 4.906 -2.640 1.00 0.00 C ATOM 1336 C MET A 86 -7.414 4.807 -3.950 1.00 0.00 C ATOM 1337 O MET A 86 -7.762 3.709 -4.376 1.00 0.00 O ATOM 1338 CB MET A 86 -7.533 5.470 -1.540 1.00 0.00 C ATOM 1339 CG MET A 86 -6.769 5.911 -0.301 1.00 0.00 C ATOM 1340 SD MET A 86 -7.864 6.310 1.070 1.00 0.00 S ATOM 1341 CE MET A 86 -8.903 4.853 1.089 1.00 0.00 C ATOM 0 H MET A 86 -5.436 6.620 -2.380 1.00 0.00 H new ATOM 0 HA MET A 86 -6.323 3.905 -2.343 1.00 0.00 H new ATOM 0 HB2 MET A 86 -8.089 6.320 -1.936 1.00 0.00 H new ATOM 0 HB3 MET A 86 -8.265 4.714 -1.256 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.084 5.119 0.002 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.161 6.783 -0.543 1.00 0.00 H new ATOM 0 HE1 MET A 86 -9.041 4.518 2.117 1.00 0.00 H new ATOM 0 HE2 MET A 86 -9.873 5.092 0.652 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.429 4.061 0.509 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.671 5.943 -4.600 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.423 5.932 -5.851 1.00 0.00 C ATOM 1353 C ALA A 87 -7.676 5.155 -6.929 1.00 0.00 C ATOM 1354 O ALA A 87 -8.291 4.558 -7.813 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.720 7.347 -6.313 1.00 0.00 C ATOM 0 H ALA A 87 -7.374 6.867 -4.286 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.372 5.428 -5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.281 7.315 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.309 7.862 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.784 7.882 -6.471 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.346 5.162 -6.855 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.530 4.443 -7.823 1.00 0.00 C ATOM 1363 C ALA A 88 -5.667 2.934 -7.630 1.00 0.00 C ATOM 1364 O ALA A 88 -6.067 2.216 -8.546 1.00 0.00 O ATOM 1365 CB ALA A 88 -4.073 4.863 -7.707 1.00 0.00 C ATOM 0 H ALA A 88 -5.816 5.656 -6.137 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.885 4.694 -8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.477 4.316 -8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.987 5.933 -7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.709 4.642 -6.704 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.336 2.463 -6.431 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.433 1.044 -6.139 1.00 0.00 C ATOM 1373 C GLY A 89 -6.828 0.500 -6.384 1.00 0.00 C ATOM 1374 O GLY A 89 -6.996 -0.636 -6.828 1.00 0.00 O ATOM 0 H GLY A 89 -5.003 3.038 -5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.719 0.499 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.155 0.869 -5.100 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.830 1.323 -6.092 1.00 0.00 N ATOM 1379 CA ASP A 90 -9.230 0.949 -6.278 1.00 0.00 C ATOM 1380 C ASP A 90 -9.743 1.437 -7.624 1.00 0.00 C ATOM 1381 O ASP A 90 -10.876 1.879 -7.734 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.115 1.471 -5.139 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.214 2.984 -5.099 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.367 3.602 -6.172 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -10.143 3.552 -3.988 1.00 0.00 O ATOM 0 H ASP A 90 -7.697 2.264 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.282 -0.140 -6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.115 1.051 -5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.719 1.115 -4.188 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.880 1.342 -8.632 1.00 0.00 N ATOM 1391 CA LYS A 91 -9.163 1.784 -10.003 1.00 0.00 C ATOM 1392 C LYS A 91 -10.646 1.723 -10.373 1.00 0.00 C ATOM 1393 O LYS A 91 -11.140 2.582 -11.104 1.00 0.00 O ATOM 1394 CB LYS A 91 -8.374 0.882 -10.944 1.00 0.00 C ATOM 1395 CG LYS A 91 -8.296 1.377 -12.367 1.00 0.00 C ATOM 1396 CD LYS A 91 -9.640 1.315 -13.065 1.00 0.00 C ATOM 1397 CE LYS A 91 -9.505 0.801 -14.489 1.00 0.00 C ATOM 1398 NZ LYS A 91 -8.507 1.582 -15.268 1.00 0.00 N ATOM 0 H LYS A 91 -7.945 0.949 -8.521 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.872 2.831 -10.087 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.362 0.770 -10.556 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.828 -0.109 -10.942 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.931 2.404 -12.374 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.572 0.778 -12.920 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.312 0.665 -12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.091 2.307 -13.076 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.210 -0.248 -14.470 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.474 0.851 -14.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.676 1.445 -16.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.598 2.592 -15.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.549 1.257 -15.029 1.00 0.00 H new ATOM 1412 N ASP A 92 -11.349 0.721 -9.880 1.00 0.00 N ATOM 1413 CA ASP A 92 -12.776 0.581 -10.170 1.00 0.00 C ATOM 1414 C ASP A 92 -13.560 1.829 -9.742 1.00 0.00 C ATOM 1415 O ASP A 92 -14.685 2.049 -10.190 1.00 0.00 O ATOM 1416 CB ASP A 92 -13.343 -0.653 -9.468 1.00 0.00 C ATOM 1417 CG ASP A 92 -14.806 -0.884 -9.797 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -15.666 -0.240 -9.161 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -15.089 -1.708 -10.693 1.00 0.00 O ATOM 0 H ASP A 92 -10.964 -0.008 -9.279 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.884 0.464 -11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.765 -1.530 -9.758 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.229 -0.539 -8.390 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.956 2.639 -8.871 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.590 3.858 -8.398 1.00 0.00 C ATOM 1426 C GLY A 93 -14.550 3.616 -7.247 1.00 0.00 C ATOM 1427 O GLY A 93 -15.738 3.915 -7.354 1.00 0.00 O ATOM 0 H GLY A 93 -12.029 2.468 -8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.821 4.562 -8.081 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.129 4.325 -9.222 1.00 0.00 H new ATOM 1431 N ASP A 94 -14.036 3.081 -6.143 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.870 2.809 -4.976 1.00 0.00 C ATOM 1433 C ASP A 94 -14.488 3.691 -3.784 1.00 0.00 C ATOM 1434 O ASP A 94 -15.197 3.718 -2.777 1.00 0.00 O ATOM 1435 CB ASP A 94 -14.760 1.336 -4.585 1.00 0.00 C ATOM 1436 CG ASP A 94 -15.111 0.404 -5.728 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -16.307 0.081 -5.884 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -14.190 -0.001 -6.468 1.00 0.00 O ATOM 0 H ASP A 94 -13.054 2.829 -6.032 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.900 3.042 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.744 1.127 -4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.422 1.137 -3.742 1.00 0.00 H new ATOM 1443 N GLY A 95 -13.368 4.412 -3.893 1.00 0.00 N ATOM 1444 CA GLY A 95 -12.937 5.278 -2.805 1.00 0.00 C ATOM 1445 C GLY A 95 -12.044 4.574 -1.797 1.00 0.00 C ATOM 1446 O GLY A 95 -11.234 5.209 -1.124 1.00 0.00 O ATOM 0 H GLY A 95 -12.757 4.411 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.402 6.133 -3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.815 5.670 -2.291 1.00 0.00 H new ATOM 1450 N LYS A 96 -12.198 3.261 -1.697 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.418 2.447 -0.769 1.00 0.00 C ATOM 1452 C LYS A 96 -10.739 1.302 -1.513 1.00 0.00 C ATOM 1453 O LYS A 96 -11.184 0.903 -2.589 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.324 1.891 0.336 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.004 2.969 1.165 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.472 3.113 0.797 1.00 0.00 C ATOM 1457 CE LYS A 96 -14.816 4.546 0.416 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.275 4.722 0.182 1.00 0.00 N ATOM 0 H LYS A 96 -12.866 2.729 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.651 3.074 -0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.087 1.257 -0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.731 1.257 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.916 2.725 2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.495 3.921 1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.706 2.449 -0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.091 2.801 1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.491 5.220 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.268 4.824 -0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.469 5.711 -0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.580 4.097 -0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.797 4.481 1.049 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.661 0.771 -0.940 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.935 -0.324 -1.573 1.00 0.00 C ATOM 1474 C ILE A 97 -9.187 -1.651 -0.862 1.00 0.00 C ATOM 1475 O ILE A 97 -8.763 -1.852 0.277 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.415 -0.051 -1.606 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -7.121 1.239 -2.370 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.671 -1.221 -2.239 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.643 1.498 -2.565 1.00 0.00 C ATOM 0 H ILE A 97 -9.275 1.078 -0.047 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.308 -0.392 -2.595 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.067 0.064 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.606 1.194 -3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.562 2.079 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.602 -1.008 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.854 -2.125 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.024 -1.368 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.506 2.429 -3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.156 1.575 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.201 0.676 -3.128 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.879 -2.552 -1.551 1.00 0.00 N ATOM 1492 CA GLY A 98 -10.159 -3.864 -0.998 1.00 0.00 C ATOM 1493 C GLY A 98 -9.155 -4.898 -1.469 1.00 0.00 C ATOM 1494 O GLY A 98 -8.370 -4.636 -2.381 1.00 0.00 O ATOM 0 H GLY A 98 -10.253 -2.396 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.143 -3.811 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.163 -4.174 -1.287 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.176 -6.072 -0.852 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.250 -7.141 -1.216 1.00 0.00 C ATOM 1500 C VAL A 99 -8.198 -7.351 -2.729 1.00 0.00 C ATOM 1501 O VAL A 99 -7.141 -7.658 -3.282 1.00 0.00 O ATOM 1502 CB VAL A 99 -8.625 -8.473 -0.534 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -9.943 -9.006 -1.071 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -7.512 -9.495 -0.719 1.00 0.00 C ATOM 0 H VAL A 99 -9.821 -6.310 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.266 -6.827 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.749 -8.288 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.185 -9.946 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.734 -8.280 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.857 -9.175 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.791 -10.429 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.355 -9.673 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.592 -9.115 -0.275 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.339 -7.189 -3.395 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.402 -7.369 -4.848 1.00 0.00 C ATOM 1516 C GLU A 100 -8.722 -6.207 -5.549 1.00 0.00 C ATOM 1517 O GLU A 100 -7.820 -6.389 -6.369 1.00 0.00 O ATOM 1518 CB GLU A 100 -10.847 -7.464 -5.359 1.00 0.00 C ATOM 1519 CG GLU A 100 -11.885 -7.728 -4.295 1.00 0.00 C ATOM 1520 CD GLU A 100 -11.645 -9.024 -3.546 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -10.846 -9.851 -4.033 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -12.259 -9.213 -2.476 1.00 0.00 O ATOM 0 H GLU A 100 -10.226 -6.936 -2.959 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.892 -8.306 -5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.098 -6.533 -5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.902 -8.258 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.890 -6.900 -3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.872 -7.758 -4.757 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.174 -5.009 -5.208 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.646 -3.782 -5.783 1.00 0.00 C ATOM 1531 C GLU A 101 -7.154 -3.620 -5.518 1.00 0.00 C ATOM 1532 O GLU A 101 -6.424 -3.058 -6.339 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.403 -2.596 -5.215 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.761 -2.382 -5.859 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.595 -3.648 -5.891 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -12.318 -3.908 -4.905 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -11.525 -4.378 -6.900 1.00 0.00 O ATOM 0 H GLU A 101 -9.917 -4.861 -4.525 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.780 -3.833 -6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.536 -2.739 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.802 -1.696 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.301 -1.609 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.623 -2.016 -6.876 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.696 -4.112 -4.371 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.287 -4.004 -4.021 1.00 0.00 C ATOM 1546 C PHE A 102 -4.420 -4.539 -5.156 1.00 0.00 C ATOM 1547 O PHE A 102 -3.262 -4.146 -5.306 1.00 0.00 O ATOM 1548 CB PHE A 102 -4.991 -4.767 -2.730 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.761 -4.284 -2.027 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -3.818 -3.234 -1.126 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.547 -4.885 -2.273 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -2.676 -2.793 -0.484 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.398 -4.451 -1.637 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.464 -3.403 -0.741 1.00 0.00 C ATOM 0 H PHE A 102 -7.274 -4.584 -3.676 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.053 -2.951 -3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.845 -4.676 -2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.878 -5.826 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -4.764 -2.755 -0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.491 -5.706 -2.972 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.731 -1.973 0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.452 -4.931 -1.841 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.569 -3.061 -0.242 1.00 0.00 H new ATOM 1564 N SER A 103 -4.991 -5.437 -5.954 1.00 0.00 N ATOM 1565 CA SER A 103 -4.280 -6.014 -7.084 1.00 0.00 C ATOM 1566 C SER A 103 -4.085 -4.970 -8.177 1.00 0.00 C ATOM 1567 O SER A 103 -2.997 -4.843 -8.739 1.00 0.00 O ATOM 1568 CB SER A 103 -5.046 -7.214 -7.642 1.00 0.00 C ATOM 1569 OG SER A 103 -6.286 -6.816 -8.198 1.00 0.00 O ATOM 0 H SER A 103 -5.945 -5.779 -5.836 1.00 0.00 H new ATOM 0 HA SER A 103 -3.303 -6.351 -6.738 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.445 -7.710 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.217 -7.941 -6.848 1.00 0.00 H new ATOM 0 HG SER A 103 -7.016 -7.118 -7.619 1.00 0.00 H new ATOM 1575 N THR A 104 -5.144 -4.220 -8.476 1.00 0.00 N ATOM 1576 CA THR A 104 -5.070 -3.185 -9.497 1.00 0.00 C ATOM 1577 C THR A 104 -3.986 -2.175 -9.145 1.00 0.00 C ATOM 1578 O THR A 104 -3.264 -1.692 -10.018 1.00 0.00 O ATOM 1579 CB THR A 104 -6.413 -2.444 -9.685 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.436 -3.375 -10.054 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.279 -1.373 -10.763 1.00 0.00 C ATOM 0 H THR A 104 -6.056 -4.311 -8.028 1.00 0.00 H new ATOM 0 HA THR A 104 -4.829 -3.685 -10.435 1.00 0.00 H new ATOM 0 HB THR A 104 -6.684 -1.966 -8.743 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.285 -2.899 -10.170 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.232 -0.859 -10.885 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.514 -0.654 -10.469 1.00 0.00 H new ATOM 0 HG23 THR A 104 -5.995 -1.840 -11.706 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.876 -1.863 -7.858 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.873 -0.915 -7.390 1.00 0.00 C ATOM 1591 C LEU A 105 -1.488 -1.320 -7.882 1.00 0.00 C ATOM 1592 O LEU A 105 -0.662 -0.472 -8.218 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.889 -0.838 -5.864 1.00 0.00 C ATOM 1594 CG LEU A 105 -2.386 0.479 -5.274 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -2.209 0.359 -3.770 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -1.089 0.902 -5.942 1.00 0.00 C ATOM 0 H LEU A 105 -4.467 -2.252 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.111 0.069 -7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.909 -1.007 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.280 -1.651 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.132 1.250 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.850 1.307 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.165 0.109 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.484 -0.425 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.746 1.842 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.332 0.133 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.257 1.035 -7.011 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.242 -2.627 -7.924 1.00 0.00 N ATOM 1609 CA VAL A 106 0.037 -3.149 -8.384 1.00 0.00 C ATOM 1610 C VAL A 106 0.297 -2.738 -9.828 1.00 0.00 C ATOM 1611 O VAL A 106 1.411 -2.356 -10.187 1.00 0.00 O ATOM 1612 CB VAL A 106 0.090 -4.685 -8.282 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.459 -5.204 -8.691 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.263 -5.139 -6.874 1.00 0.00 C ATOM 0 H VAL A 106 -1.913 -3.342 -7.644 1.00 0.00 H new ATOM 0 HA VAL A 106 0.807 -2.727 -7.738 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.647 -5.101 -8.969 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.475 -6.291 -8.612 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.666 -4.912 -9.721 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.219 -4.781 -8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.220 -6.227 -6.821 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.447 -4.713 -6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.270 -4.803 -6.625 1.00 0.00 H new ATOM 1624 N ALA A 107 -0.744 -2.819 -10.652 1.00 0.00 N ATOM 1625 CA ALA A 107 -0.636 -2.450 -12.055 1.00 0.00 C ATOM 1626 C ALA A 107 -0.673 -0.935 -12.214 1.00 0.00 C ATOM 1627 O ALA A 107 -0.138 -0.387 -13.177 1.00 0.00 O ATOM 1628 CB ALA A 107 -1.753 -3.099 -12.859 1.00 0.00 C ATOM 0 H ALA A 107 -1.671 -3.137 -10.370 1.00 0.00 H new ATOM 0 HA ALA A 107 0.320 -2.810 -12.436 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.660 -2.814 -13.907 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.683 -4.183 -12.770 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.718 -2.765 -12.477 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.314 -0.266 -11.261 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.419 1.186 -11.283 1.00 0.00 C ATOM 1636 C GLU A 108 -0.041 1.825 -11.318 1.00 0.00 C ATOM 1637 O GLU A 108 0.361 2.415 -12.320 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.179 1.676 -10.058 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.660 1.363 -10.121 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.446 2.419 -10.873 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.833 3.428 -10.249 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.672 2.237 -12.087 1.00 0.00 O ATOM 0 H GLU A 108 -1.769 -0.709 -10.463 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.961 1.474 -12.183 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.753 1.218 -9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.044 2.753 -9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.803 0.396 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.053 1.275 -9.108 1.00 0.00 H new ATOM 1649 N SER A 109 0.678 1.700 -10.208 1.00 0.00 N ATOM 1650 CA SER A 109 2.017 2.261 -10.098 1.00 0.00 C ATOM 1651 C SER A 109 2.875 1.870 -11.299 1.00 0.00 C ATOM 1652 O SER A 109 2.878 2.626 -12.294 1.00 0.00 O ATOM 1653 CB SER A 109 2.688 1.790 -8.806 1.00 0.00 C ATOM 1654 OG SER A 109 4.087 1.983 -8.868 1.00 0.00 O ATOM 1655 OXT SER A 109 3.532 0.809 -11.235 1.00 0.00 O ATOM 0 H SER A 109 0.354 1.214 -9.371 1.00 0.00 H new ATOM 0 HA SER A 109 1.925 3.347 -10.078 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.278 2.338 -7.957 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.469 0.735 -8.641 1.00 0.00 H new ATOM 0 HG SER A 109 4.438 2.128 -7.964 1.00 0.00 H new TER 1661 SER A 109