USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 681 hydrogens (55 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 55 ASN : amide:sc= 0.139 K(o=-4.8,f=-5.7) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 173:sc= -4.9! (180deg=-4.41!) USER MOD Single : A 1 ALA N :NH3+ -149:sc= 0.77 (180deg=-0.936!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= -0.205 (180deg=-0.79) USER MOD Single : A 10 SER OG : rot 80:sc= -2.98! USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0824) USER MOD Single : A 16 LYS NZ :NH3+ -121:sc= -12.6! (180deg=-15.1!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 29 SER OG : rot -111:sc= 0.161 USER MOD Single : A 32 SER OG : rot 180:sc= -0.183 USER MOD Single : A 33 LYS NZ :NH3+ 164:sc=-0.00751 (180deg=-0.346) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -2.59 K(o=-2.6,f=-1.9) USER MOD Single : A 60 LYS NZ :NH3+ -135:sc= -0.202 (180deg=-2.13!) USER MOD Single : A 62 GLN : amide:sc= -1.65 K(o=-1.7,f=-0.17) USER MOD Single : A 65 SER OG : rot 180:sc= -2.06! USER MOD Single : A 66 THR OG1 : rot -112:sc= 1.1 USER MOD Single : A 68 GLN : amide:sc= -5.13! K(o=-5.1!,f=-1.6) USER MOD Single : A 69 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.99) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot 108:sc= -0.0137 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.092 -3.479 7.121 1.00 1.00 N ATOM 2 CA ALA A 1 -10.164 -3.649 5.643 1.00 1.00 C ATOM 3 C ALA A 1 -10.340 -5.131 5.313 1.00 1.00 C ATOM 4 O ALA A 1 -10.121 -5.996 6.161 1.00 1.00 O ATOM 5 CB ALA A 1 -8.876 -3.111 5.005 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.489 -2.554 7.384 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.637 -4.234 7.584 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.100 -3.530 7.428 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.014 -3.094 5.246 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.927 -3.235 3.923 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.765 -2.053 5.245 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -8.020 -3.662 5.393 1.00 1.00 H new ATOM 13 N LYS A 2 -10.730 -5.413 4.075 1.00 1.00 N ATOM 14 CA LYS A 2 -10.929 -6.788 3.637 1.00 1.00 C ATOM 15 C LYS A 2 -9.587 -7.448 3.343 1.00 1.00 C ATOM 16 O LYS A 2 -8.626 -6.781 2.965 1.00 1.00 O ATOM 17 CB LYS A 2 -11.800 -6.816 2.380 1.00 1.00 C ATOM 18 CG LYS A 2 -13.204 -6.318 2.724 1.00 1.00 C ATOM 19 CD LYS A 2 -14.073 -6.334 1.464 1.00 1.00 C ATOM 20 CE LYS A 2 -15.477 -5.833 1.805 1.00 1.00 C ATOM 21 NZ LYS A 2 -16.320 -5.844 0.578 1.00 1.00 N ATOM 0 H LYS A 2 -10.914 -4.710 3.359 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.429 -7.338 4.434 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -11.359 -6.189 1.605 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.849 -7.829 1.981 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.648 -6.950 3.493 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -13.154 -5.308 3.132 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.628 -5.704 0.694 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -14.125 -7.344 1.058 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.924 -6.466 2.572 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.425 -4.824 2.214 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -17.275 -5.503 0.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -15.896 -5.223 -0.140 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -16.379 -6.813 0.206 1.00 1.00 H new ATOM 35 N LYS A 3 -9.527 -8.759 3.523 1.00 1.00 N ATOM 36 CA LYS A 3 -8.293 -9.500 3.284 1.00 1.00 C ATOM 37 C LYS A 3 -7.869 -9.383 1.825 1.00 1.00 C ATOM 38 O LYS A 3 -6.682 -9.280 1.520 1.00 1.00 O ATOM 39 CB LYS A 3 -8.495 -10.970 3.632 1.00 1.00 C ATOM 40 CG LYS A 3 -8.786 -11.106 5.127 1.00 1.00 C ATOM 41 CD LYS A 3 -8.838 -12.587 5.514 1.00 1.00 C ATOM 42 CE LYS A 3 -10.037 -13.267 4.841 1.00 1.00 C ATOM 43 NZ LYS A 3 -10.349 -14.538 5.554 1.00 1.00 N ATOM 0 H LYS A 3 -10.313 -9.331 3.832 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.512 -9.076 3.915 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.320 -11.382 3.051 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.605 -11.542 3.371 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.014 -10.597 5.705 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.734 -10.625 5.367 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -7.914 -13.082 5.214 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -8.915 -12.685 6.597 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -10.902 -12.605 4.860 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -9.813 -13.470 3.794 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -11.162 -15.001 5.099 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.524 -15.170 5.514 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -10.579 -14.332 6.547 1.00 1.00 H new ATOM 57 N GLU A 4 -8.843 -9.416 0.923 1.00 1.00 N ATOM 58 CA GLU A 4 -8.552 -9.325 -0.500 1.00 1.00 C ATOM 59 C GLU A 4 -7.790 -8.038 -0.813 1.00 1.00 C ATOM 60 O GLU A 4 -6.807 -8.050 -1.551 1.00 1.00 O ATOM 61 CB GLU A 4 -9.860 -9.361 -1.299 1.00 1.00 C ATOM 62 CG GLU A 4 -10.653 -8.071 -1.054 1.00 1.00 C ATOM 63 CD GLU A 4 -12.089 -8.241 -1.534 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.292 -8.966 -2.492 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.967 -7.642 -0.933 1.00 1.00 O ATOM 0 H GLU A 4 -9.833 -9.504 1.151 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.930 -10.174 -0.783 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.645 -9.470 -2.362 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.454 -10.226 -1.003 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.643 -7.825 0.008 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -10.182 -7.240 -1.579 1.00 1.00 H new ATOM 72 N THR A 5 -8.263 -6.926 -0.253 1.00 1.00 N ATOM 73 CA THR A 5 -7.630 -5.635 -0.484 1.00 1.00 C ATOM 74 C THR A 5 -6.266 -5.582 0.190 1.00 1.00 C ATOM 75 O THR A 5 -5.298 -5.098 -0.381 1.00 1.00 O ATOM 76 CB THR A 5 -8.517 -4.503 0.047 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.867 -4.760 -0.318 1.00 1.00 O ATOM 78 CG2 THR A 5 -8.078 -3.181 -0.586 1.00 1.00 C ATOM 0 H THR A 5 -9.078 -6.896 0.360 1.00 1.00 H new ATOM 0 HA THR A 5 -7.497 -5.507 -1.558 1.00 1.00 H new ATOM 0 HB THR A 5 -8.427 -4.444 1.132 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.440 -4.040 0.020 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.706 -2.372 -0.212 1.00 1.00 H new ATOM 0 HG22 THR A 5 -7.038 -2.982 -0.328 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.177 -3.246 -1.670 1.00 1.00 H new ATOM 86 N ILE A 6 -6.201 -6.086 1.417 1.00 1.00 N ATOM 87 CA ILE A 6 -4.956 -6.085 2.169 1.00 1.00 C ATOM 88 C ILE A 6 -3.879 -6.872 1.432 1.00 1.00 C ATOM 89 O ILE A 6 -2.728 -6.439 1.355 1.00 1.00 O ATOM 90 CB ILE A 6 -5.186 -6.709 3.556 1.00 1.00 C ATOM 91 CG1 ILE A 6 -6.066 -5.775 4.399 1.00 1.00 C ATOM 92 CG2 ILE A 6 -3.841 -6.936 4.267 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.545 -6.514 5.653 1.00 1.00 C ATOM 0 H ILE A 6 -6.994 -6.499 1.909 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.622 -5.053 2.280 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.686 -7.670 3.434 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.503 -4.885 4.682 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -6.922 -5.438 3.814 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -4.018 -7.378 5.248 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.224 -7.609 3.672 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.327 -5.982 4.386 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -7.170 -5.850 6.250 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -7.124 -7.390 5.360 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.683 -6.828 6.242 1.00 1.00 H new ATOM 105 N ASP A 7 -4.248 -8.026 0.899 1.00 1.00 N ATOM 106 CA ASP A 7 -3.293 -8.859 0.183 1.00 1.00 C ATOM 107 C ASP A 7 -2.783 -8.116 -1.051 1.00 1.00 C ATOM 108 O ASP A 7 -1.611 -8.223 -1.413 1.00 1.00 O ATOM 109 CB ASP A 7 -3.977 -10.172 -0.233 1.00 1.00 C ATOM 110 CG ASP A 7 -3.942 -11.188 0.909 1.00 1.00 C ATOM 111 OD1 ASP A 7 -3.321 -10.905 1.921 1.00 1.00 O ATOM 112 OD2 ASP A 7 -4.550 -12.235 0.760 1.00 1.00 O ATOM 0 H ASP A 7 -5.194 -8.405 0.947 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.446 -9.085 0.830 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -5.010 -9.974 -0.518 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -3.478 -10.586 -1.109 1.00 1.00 H new ATOM 117 N LYS A 8 -3.665 -7.362 -1.687 1.00 1.00 N ATOM 118 CA LYS A 8 -3.289 -6.603 -2.872 1.00 1.00 C ATOM 119 C LYS A 8 -2.281 -5.517 -2.522 1.00 1.00 C ATOM 120 O LYS A 8 -1.285 -5.336 -3.216 1.00 1.00 O ATOM 121 CB LYS A 8 -4.537 -5.961 -3.477 1.00 1.00 C ATOM 122 CG LYS A 8 -5.378 -7.017 -4.216 1.00 1.00 C ATOM 123 CD LYS A 8 -4.886 -7.170 -5.670 1.00 1.00 C ATOM 124 CE LYS A 8 -5.610 -6.162 -6.569 1.00 1.00 C ATOM 125 NZ LYS A 8 -7.052 -6.526 -6.644 1.00 1.00 N ATOM 0 H LYS A 8 -4.640 -7.258 -1.406 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.831 -7.283 -3.591 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -5.133 -5.497 -2.691 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -4.248 -5.169 -4.167 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.309 -7.974 -3.699 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.428 -6.726 -4.209 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.809 -7.008 -5.719 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -5.072 -8.185 -6.022 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -5.497 -5.154 -6.171 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -5.169 -6.163 -7.566 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -7.429 -6.261 -7.577 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -7.159 -7.551 -6.506 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -7.577 -6.020 -5.902 1.00 1.00 H new ATOM 139 N VAL A 9 -2.548 -4.794 -1.445 1.00 1.00 N ATOM 140 CA VAL A 9 -1.654 -3.723 -1.029 1.00 1.00 C ATOM 141 C VAL A 9 -0.270 -4.276 -0.725 1.00 1.00 C ATOM 142 O VAL A 9 0.739 -3.737 -1.181 1.00 1.00 O ATOM 143 CB VAL A 9 -2.213 -3.038 0.218 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.226 -1.977 0.702 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.544 -2.375 -0.122 1.00 1.00 C ATOM 0 H VAL A 9 -3.365 -4.926 -0.849 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.576 -2.999 -1.840 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.364 -3.779 1.003 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.624 -1.488 1.591 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.274 -2.449 0.943 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -1.075 -1.236 -0.083 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.944 -1.886 0.766 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.391 -1.634 -0.907 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.249 -3.131 -0.469 1.00 1.00 H new ATOM 155 N SER A 10 -0.231 -5.354 0.039 1.00 1.00 N ATOM 156 CA SER A 10 1.034 -5.972 0.392 1.00 1.00 C ATOM 157 C SER A 10 1.745 -6.492 -0.855 1.00 1.00 C ATOM 158 O SER A 10 2.962 -6.388 -0.969 1.00 1.00 O ATOM 159 CB SER A 10 0.805 -7.134 1.360 1.00 1.00 C ATOM 160 OG SER A 10 0.015 -6.688 2.453 1.00 1.00 O ATOM 0 H SER A 10 -1.055 -5.816 0.424 1.00 1.00 H new ATOM 0 HA SER A 10 1.657 -5.216 0.871 1.00 1.00 H new ATOM 0 HB2 SER A 10 0.305 -7.956 0.847 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.760 -7.516 1.719 1.00 1.00 H new ATOM 0 HG SER A 10 -0.929 -6.672 2.189 1.00 1.00 H new ATOM 166 N ASP A 11 0.972 -7.054 -1.783 1.00 1.00 N ATOM 167 CA ASP A 11 1.530 -7.603 -3.008 1.00 1.00 C ATOM 168 C ASP A 11 2.369 -6.559 -3.730 1.00 1.00 C ATOM 169 O ASP A 11 3.451 -6.855 -4.226 1.00 1.00 O ATOM 170 CB ASP A 11 0.381 -8.086 -3.915 1.00 1.00 C ATOM 171 CG ASP A 11 -0.046 -9.501 -3.542 1.00 1.00 C ATOM 172 OD1 ASP A 11 0.824 -10.318 -3.297 1.00 1.00 O ATOM 173 OD2 ASP A 11 -1.241 -9.746 -3.505 1.00 1.00 O ATOM 0 H ASP A 11 -0.042 -7.139 -1.706 1.00 1.00 H new ATOM 0 HA ASP A 11 2.178 -8.444 -2.761 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -0.469 -7.409 -3.824 1.00 1.00 H new ATOM 0 HB3 ASP A 11 0.699 -8.060 -4.957 1.00 1.00 H new ATOM 178 N ILE A 12 1.876 -5.334 -3.771 1.00 1.00 N ATOM 179 CA ILE A 12 2.607 -4.270 -4.437 1.00 1.00 C ATOM 180 C ILE A 12 4.012 -4.166 -3.852 1.00 1.00 C ATOM 181 O ILE A 12 4.990 -4.037 -4.587 1.00 1.00 O ATOM 182 CB ILE A 12 1.847 -2.929 -4.265 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.869 -2.701 -5.429 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.813 -1.741 -4.188 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.269 -3.714 -5.378 1.00 1.00 C ATOM 0 H ILE A 12 0.987 -5.053 -3.358 1.00 1.00 H new ATOM 0 HA ILE A 12 2.688 -4.494 -5.501 1.00 1.00 H new ATOM 0 HB ILE A 12 1.293 -2.996 -3.329 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.466 -1.690 -5.380 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.398 -2.787 -6.378 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.246 -0.818 -4.068 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.481 -1.870 -3.337 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.400 -1.689 -5.105 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.951 -3.537 -6.210 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.138 -4.723 -5.451 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.809 -3.608 -4.437 1.00 1.00 H new ATOM 197 N VAL A 13 4.105 -4.204 -2.539 1.00 1.00 N ATOM 198 CA VAL A 13 5.398 -4.089 -1.895 1.00 1.00 C ATOM 199 C VAL A 13 6.282 -5.272 -2.261 1.00 1.00 C ATOM 200 O VAL A 13 7.444 -5.107 -2.612 1.00 1.00 O ATOM 201 CB VAL A 13 5.210 -4.046 -0.376 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.577 -3.969 0.310 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.364 -2.824 0.013 1.00 1.00 C ATOM 0 H VAL A 13 3.314 -4.312 -1.904 1.00 1.00 H new ATOM 0 HA VAL A 13 5.878 -3.172 -2.235 1.00 1.00 H new ATOM 0 HB VAL A 13 4.695 -4.951 -0.054 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.440 -3.938 1.391 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.168 -4.845 0.043 1.00 1.00 H new ATOM 0 HG13 VAL A 13 7.097 -3.068 -0.016 1.00 1.00 H new ATOM 0 HG21 VAL A 13 4.235 -2.801 1.095 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.868 -1.914 -0.312 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.388 -2.889 -0.468 1.00 1.00 H new ATOM 213 N LYS A 14 5.725 -6.466 -2.166 1.00 1.00 N ATOM 214 CA LYS A 14 6.484 -7.670 -2.472 1.00 1.00 C ATOM 215 C LYS A 14 6.874 -7.709 -3.944 1.00 1.00 C ATOM 216 O LYS A 14 7.983 -8.110 -4.295 1.00 1.00 O ATOM 217 CB LYS A 14 5.664 -8.909 -2.136 1.00 1.00 C ATOM 218 CG LYS A 14 5.127 -8.799 -0.698 1.00 1.00 C ATOM 219 CD LYS A 14 4.840 -10.200 -0.118 1.00 1.00 C ATOM 220 CE LYS A 14 6.044 -10.713 0.691 1.00 1.00 C ATOM 221 NZ LYS A 14 5.837 -10.386 2.127 1.00 1.00 N ATOM 0 H LYS A 14 4.759 -6.630 -1.882 1.00 1.00 H new ATOM 0 HA LYS A 14 7.391 -7.657 -1.868 1.00 1.00 H new ATOM 0 HB2 LYS A 14 4.836 -9.010 -2.837 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.279 -9.803 -2.238 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.853 -8.282 -0.071 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.215 -8.202 -0.689 1.00 1.00 H new ATOM 0 HD2 LYS A 14 3.957 -10.161 0.520 1.00 1.00 H new ATOM 0 HD3 LYS A 14 4.617 -10.895 -0.927 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.153 -11.790 0.562 1.00 1.00 H new ATOM 0 HE3 LYS A 14 6.964 -10.254 0.329 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 6.731 -10.509 2.643 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.519 -9.400 2.216 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 5.116 -11.020 2.527 1.00 1.00 H new ATOM 235 N GLU A 15 5.943 -7.304 -4.796 1.00 1.00 N ATOM 236 CA GLU A 15 6.177 -7.305 -6.236 1.00 1.00 C ATOM 237 C GLU A 15 7.273 -6.330 -6.625 1.00 1.00 C ATOM 238 O GLU A 15 8.006 -6.554 -7.586 1.00 1.00 O ATOM 239 CB GLU A 15 4.888 -6.949 -6.974 1.00 1.00 C ATOM 240 CG GLU A 15 3.898 -8.124 -6.894 1.00 1.00 C ATOM 241 CD GLU A 15 4.404 -9.296 -7.731 1.00 1.00 C ATOM 242 OE1 GLU A 15 5.209 -9.066 -8.617 1.00 1.00 O ATOM 243 OE2 GLU A 15 3.972 -10.410 -7.475 1.00 1.00 O ATOM 0 H GLU A 15 5.020 -6.971 -4.518 1.00 1.00 H new ATOM 0 HA GLU A 15 6.500 -8.307 -6.519 1.00 1.00 H new ATOM 0 HB2 GLU A 15 4.442 -6.056 -6.536 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.107 -6.717 -8.016 1.00 1.00 H new ATOM 0 HG2 GLU A 15 3.774 -8.435 -5.857 1.00 1.00 H new ATOM 0 HG3 GLU A 15 2.918 -7.808 -7.251 1.00 1.00 H new ATOM 250 N LYS A 16 7.379 -5.246 -5.880 1.00 1.00 N ATOM 251 CA LYS A 16 8.386 -4.238 -6.163 1.00 1.00 C ATOM 252 C LYS A 16 9.791 -4.829 -6.082 1.00 1.00 C ATOM 253 O LYS A 16 10.666 -4.485 -6.871 1.00 1.00 O ATOM 254 CB LYS A 16 8.225 -3.090 -5.171 1.00 1.00 C ATOM 255 CG LYS A 16 7.177 -2.117 -5.708 1.00 1.00 C ATOM 256 CD LYS A 16 6.835 -1.117 -4.630 1.00 1.00 C ATOM 257 CE LYS A 16 6.118 0.101 -5.239 1.00 1.00 C ATOM 258 NZ LYS A 16 6.299 1.282 -4.351 1.00 1.00 N ATOM 0 H LYS A 16 6.784 -5.040 -5.078 1.00 1.00 H new ATOM 0 HA LYS A 16 8.248 -3.866 -7.178 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.920 -3.473 -4.197 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.177 -2.578 -5.029 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.558 -1.603 -6.591 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.283 -2.659 -6.016 1.00 1.00 H new ATOM 0 HD2 LYS A 16 6.198 -1.585 -3.879 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.744 -0.796 -4.121 1.00 1.00 H new ATOM 0 HE2 LYS A 16 6.519 0.314 -6.230 1.00 1.00 H new ATOM 0 HE3 LYS A 16 5.057 -0.114 -5.364 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 5.369 1.634 -4.048 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 6.854 1.007 -3.516 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.801 2.032 -4.868 1.00 1.00 H new ATOM 272 N LEU A 17 10.002 -5.705 -5.104 1.00 1.00 N ATOM 273 CA LEU A 17 11.311 -6.330 -4.898 1.00 1.00 C ATOM 274 C LEU A 17 11.291 -7.760 -5.411 1.00 1.00 C ATOM 275 O LEU A 17 12.299 -8.458 -5.352 1.00 1.00 O ATOM 276 CB LEU A 17 11.688 -6.310 -3.394 1.00 1.00 C ATOM 277 CG LEU A 17 10.442 -5.984 -2.531 1.00 1.00 C ATOM 278 CD1 LEU A 17 10.636 -6.506 -1.109 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.229 -4.463 -2.484 1.00 1.00 C ATOM 0 H LEU A 17 9.286 -6.000 -4.440 1.00 1.00 H new ATOM 0 HA LEU A 17 12.059 -5.764 -5.453 1.00 1.00 H new ATOM 0 HB2 LEU A 17 12.098 -7.277 -3.102 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.466 -5.567 -3.217 1.00 1.00 H new ATOM 0 HG LEU A 17 9.571 -6.465 -2.976 1.00 1.00 H new ATOM 0 HD11 LEU A 17 9.755 -6.271 -0.512 1.00 1.00 H new ATOM 0 HD12 LEU A 17 10.780 -7.586 -1.134 1.00 1.00 H new ATOM 0 HD13 LEU A 17 11.512 -6.034 -0.664 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.353 -4.237 -1.877 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.106 -3.986 -2.047 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.077 -4.085 -3.495 1.00 1.00 H new ATOM 291 N ALA A 18 10.142 -8.183 -5.917 1.00 1.00 N ATOM 292 CA ALA A 18 10.008 -9.532 -6.448 1.00 1.00 C ATOM 293 C ALA A 18 9.931 -10.572 -5.331 1.00 1.00 C ATOM 294 O ALA A 18 10.719 -11.517 -5.295 1.00 1.00 O ATOM 295 CB ALA A 18 11.196 -9.840 -7.368 1.00 1.00 C ATOM 0 H ALA A 18 9.295 -7.617 -5.971 1.00 1.00 H new ATOM 0 HA ALA A 18 9.077 -9.584 -7.013 1.00 1.00 H new ATOM 0 HB1 ALA A 18 11.096 -10.850 -7.766 1.00 1.00 H new ATOM 0 HB2 ALA A 18 11.213 -9.126 -8.191 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.124 -9.763 -6.802 1.00 1.00 H new ATOM 301 N LEU A 19 8.973 -10.400 -4.426 1.00 1.00 N ATOM 302 CA LEU A 19 8.786 -11.332 -3.317 1.00 1.00 C ATOM 303 C LEU A 19 7.428 -12.020 -3.432 1.00 1.00 C ATOM 304 O LEU A 19 6.785 -11.979 -4.482 1.00 1.00 O ATOM 305 CB LEU A 19 8.893 -10.567 -1.992 1.00 1.00 C ATOM 306 CG LEU A 19 10.331 -10.604 -1.465 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.274 -9.980 -2.506 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.404 -9.834 -0.129 1.00 1.00 C ATOM 0 H LEU A 19 8.313 -9.623 -4.438 1.00 1.00 H new ATOM 0 HA LEU A 19 9.559 -12.099 -3.350 1.00 1.00 H new ATOM 0 HB2 LEU A 19 8.579 -9.533 -2.136 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.219 -11.006 -1.257 1.00 1.00 H new ATOM 0 HG LEU A 19 10.639 -11.635 -1.292 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.297 -10.006 -2.132 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.213 -10.545 -3.436 1.00 1.00 H new ATOM 0 HD13 LEU A 19 10.981 -8.946 -2.689 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.426 -9.858 0.249 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.100 -8.799 -0.288 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.737 -10.300 0.597 1.00 1.00 H new ATOM 320 N GLY A 20 7.007 -12.654 -2.344 1.00 1.00 N ATOM 321 CA GLY A 20 5.734 -13.360 -2.308 1.00 1.00 C ATOM 322 C GLY A 20 5.940 -14.850 -2.546 1.00 1.00 C ATOM 323 O GLY A 20 4.976 -15.603 -2.685 1.00 1.00 O ATOM 0 H GLY A 20 7.533 -12.693 -1.471 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.253 -13.204 -1.343 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.065 -12.954 -3.067 1.00 1.00 H new ATOM 327 N ALA A 21 7.201 -15.275 -2.588 1.00 1.00 N ATOM 328 CA ALA A 21 7.511 -16.682 -2.806 1.00 1.00 C ATOM 329 C ALA A 21 7.363 -17.464 -1.509 1.00 1.00 C ATOM 330 O ALA A 21 6.336 -18.099 -1.268 1.00 1.00 O ATOM 331 CB ALA A 21 8.941 -16.827 -3.332 1.00 1.00 C ATOM 0 H ALA A 21 8.015 -14.671 -2.475 1.00 1.00 H new ATOM 0 HA ALA A 21 6.813 -17.081 -3.542 1.00 1.00 H new ATOM 0 HB1 ALA A 21 9.165 -17.882 -3.492 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.038 -16.288 -4.274 1.00 1.00 H new ATOM 0 HB3 ALA A 21 9.640 -16.414 -2.604 1.00 1.00 H new ATOM 337 N ASP A 22 8.398 -17.411 -0.668 1.00 1.00 N ATOM 338 CA ASP A 22 8.381 -18.115 0.616 1.00 1.00 C ATOM 339 C ASP A 22 8.377 -17.121 1.772 1.00 1.00 C ATOM 340 O ASP A 22 8.519 -17.505 2.935 1.00 1.00 O ATOM 341 CB ASP A 22 9.604 -19.026 0.729 1.00 1.00 C ATOM 342 CG ASP A 22 9.483 -20.179 -0.262 1.00 1.00 C ATOM 343 OD1 ASP A 22 8.416 -20.334 -0.833 1.00 1.00 O ATOM 344 OD2 ASP A 22 10.460 -20.890 -0.435 1.00 1.00 O ATOM 0 H ASP A 22 9.255 -16.890 -0.852 1.00 1.00 H new ATOM 0 HA ASP A 22 7.474 -18.717 0.666 1.00 1.00 H new ATOM 0 HB2 ASP A 22 10.512 -18.457 0.530 1.00 1.00 H new ATOM 0 HB3 ASP A 22 9.687 -19.414 1.744 1.00 1.00 H new ATOM 349 N VAL A 23 8.221 -15.842 1.448 1.00 1.00 N ATOM 350 CA VAL A 23 8.206 -14.799 2.469 1.00 1.00 C ATOM 351 C VAL A 23 6.798 -14.610 3.024 1.00 1.00 C ATOM 352 O VAL A 23 5.833 -14.490 2.270 1.00 1.00 O ATOM 353 CB VAL A 23 8.704 -13.481 1.874 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.944 -12.469 2.998 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.011 -13.726 1.111 1.00 1.00 C ATOM 0 H VAL A 23 8.104 -15.503 0.493 1.00 1.00 H new ATOM 0 HA VAL A 23 8.865 -15.103 3.282 1.00 1.00 H new ATOM 0 HB VAL A 23 7.955 -13.086 1.188 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.299 -11.530 2.573 1.00 1.00 H new ATOM 0 HG12 VAL A 23 8.012 -12.294 3.536 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.692 -12.861 3.687 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.366 -12.787 0.687 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.762 -14.123 1.794 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.835 -14.443 0.309 1.00 1.00 H new ATOM 365 N VAL A 24 6.691 -14.583 4.348 1.00 1.00 N ATOM 366 CA VAL A 24 5.399 -14.405 4.996 1.00 1.00 C ATOM 367 C VAL A 24 4.933 -12.961 4.857 1.00 1.00 C ATOM 368 O VAL A 24 5.703 -12.026 5.078 1.00 1.00 O ATOM 369 CB VAL A 24 5.499 -14.769 6.479 1.00 1.00 C ATOM 370 CG1 VAL A 24 4.160 -14.491 7.166 1.00 1.00 C ATOM 371 CG2 VAL A 24 5.842 -16.254 6.614 1.00 1.00 C ATOM 0 H VAL A 24 7.478 -14.681 4.989 1.00 1.00 H new ATOM 0 HA VAL A 24 4.676 -15.062 4.512 1.00 1.00 H new ATOM 0 HB VAL A 24 6.278 -14.169 6.949 1.00 1.00 H new ATOM 0 HG11 VAL A 24 4.232 -14.751 8.222 1.00 1.00 H new ATOM 0 HG12 VAL A 24 3.913 -13.434 7.068 1.00 1.00 H new ATOM 0 HG13 VAL A 24 3.379 -15.090 6.698 1.00 1.00 H new ATOM 0 HG21 VAL A 24 5.914 -16.516 7.670 1.00 1.00 H new ATOM 0 HG22 VAL A 24 5.061 -16.852 6.144 1.00 1.00 H new ATOM 0 HG23 VAL A 24 6.796 -16.453 6.125 1.00 1.00 H new ATOM 381 N VAL A 25 3.665 -12.782 4.488 1.00 1.00 N ATOM 382 CA VAL A 25 3.094 -11.445 4.316 1.00 1.00 C ATOM 383 C VAL A 25 2.114 -11.138 5.441 1.00 1.00 C ATOM 384 O VAL A 25 1.216 -11.929 5.731 1.00 1.00 O ATOM 385 CB VAL A 25 2.367 -11.362 2.977 1.00 1.00 C ATOM 386 CG1 VAL A 25 1.209 -12.365 2.950 1.00 1.00 C ATOM 387 CG2 VAL A 25 1.821 -9.946 2.796 1.00 1.00 C ATOM 0 H VAL A 25 3.014 -13.545 4.302 1.00 1.00 H new ATOM 0 HA VAL A 25 3.904 -10.716 4.340 1.00 1.00 H new ATOM 0 HB VAL A 25 3.060 -11.599 2.170 1.00 1.00 H new ATOM 0 HG11 VAL A 25 0.694 -12.301 1.991 1.00 1.00 H new ATOM 0 HG12 VAL A 25 1.598 -13.374 3.086 1.00 1.00 H new ATOM 0 HG13 VAL A 25 0.510 -12.135 3.754 1.00 1.00 H new ATOM 0 HG21 VAL A 25 1.299 -9.876 1.841 1.00 1.00 H new ATOM 0 HG22 VAL A 25 1.128 -9.717 3.606 1.00 1.00 H new ATOM 0 HG23 VAL A 25 2.646 -9.233 2.812 1.00 1.00 H new ATOM 397 N THR A 26 2.289 -9.977 6.072 1.00 1.00 N ATOM 398 CA THR A 26 1.414 -9.557 7.167 1.00 1.00 C ATOM 399 C THR A 26 0.945 -8.121 6.949 1.00 1.00 C ATOM 400 O THR A 26 1.675 -7.290 6.415 1.00 1.00 O ATOM 401 CB THR A 26 2.165 -9.662 8.507 1.00 1.00 C ATOM 402 OG1 THR A 26 3.517 -9.268 8.324 1.00 1.00 O ATOM 403 CG2 THR A 26 2.122 -11.103 9.021 1.00 1.00 C ATOM 0 H THR A 26 3.028 -9.311 5.844 1.00 1.00 H new ATOM 0 HA THR A 26 0.543 -10.212 7.190 1.00 1.00 H new ATOM 0 HB THR A 26 1.686 -9.008 9.235 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.995 -9.333 9.177 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.656 -11.167 9.969 1.00 1.00 H new ATOM 0 HG22 THR A 26 1.085 -11.406 9.167 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.594 -11.763 8.293 1.00 1.00 H new ATOM 411 N ALA A 27 -0.282 -7.845 7.371 1.00 1.00 N ATOM 412 CA ALA A 27 -0.848 -6.513 7.228 1.00 1.00 C ATOM 413 C ALA A 27 -0.167 -5.534 8.178 1.00 1.00 C ATOM 414 O ALA A 27 0.097 -4.384 7.837 1.00 1.00 O ATOM 415 CB ALA A 27 -2.353 -6.567 7.521 1.00 1.00 C ATOM 0 H ALA A 27 -0.901 -8.524 7.813 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.686 -6.167 6.207 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.780 -5.570 7.415 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -2.836 -7.246 6.818 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.513 -6.924 8.538 1.00 1.00 H new ATOM 421 N ASP A 28 0.113 -5.998 9.379 1.00 1.00 N ATOM 422 CA ASP A 28 0.757 -5.155 10.378 1.00 1.00 C ATOM 423 C ASP A 28 2.264 -5.112 10.153 1.00 1.00 C ATOM 424 O ASP A 28 3.026 -4.763 11.052 1.00 1.00 O ATOM 425 CB ASP A 28 0.457 -5.684 11.781 1.00 1.00 C ATOM 426 CG ASP A 28 1.160 -7.018 12.002 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.745 -7.521 11.058 1.00 1.00 O ATOM 428 OD2 ASP A 28 1.100 -7.519 13.114 1.00 1.00 O ATOM 0 H ASP A 28 -0.092 -6.948 9.690 1.00 1.00 H new ATOM 0 HA ASP A 28 0.362 -4.144 10.283 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.788 -4.962 12.528 1.00 1.00 H new ATOM 0 HB3 ASP A 28 -0.619 -5.806 11.909 1.00 1.00 H new ATOM 433 N SER A 29 2.683 -5.487 8.951 1.00 1.00 N ATOM 434 CA SER A 29 4.102 -5.507 8.628 1.00 1.00 C ATOM 435 C SER A 29 4.668 -4.097 8.544 1.00 1.00 C ATOM 436 O SER A 29 5.875 -3.914 8.388 1.00 1.00 O ATOM 437 CB SER A 29 4.331 -6.228 7.301 1.00 1.00 C ATOM 438 OG SER A 29 3.819 -5.435 6.240 1.00 1.00 O ATOM 0 H SER A 29 2.067 -5.778 8.192 1.00 1.00 H new ATOM 0 HA SER A 29 4.618 -6.040 9.427 1.00 1.00 H new ATOM 0 HB2 SER A 29 5.395 -6.411 7.153 1.00 1.00 H new ATOM 0 HB3 SER A 29 3.839 -7.201 7.313 1.00 1.00 H new ATOM 0 HG SER A 29 3.027 -5.869 5.860 1.00 1.00 H new ATOM 444 N GLU A 30 3.792 -3.107 8.643 1.00 1.00 N ATOM 445 CA GLU A 30 4.217 -1.716 8.579 1.00 1.00 C ATOM 446 C GLU A 30 4.942 -1.436 7.271 1.00 1.00 C ATOM 447 O GLU A 30 5.970 -0.763 7.258 1.00 1.00 O ATOM 448 CB GLU A 30 5.132 -1.387 9.760 1.00 1.00 C ATOM 449 CG GLU A 30 4.366 -1.583 11.071 1.00 1.00 C ATOM 450 CD GLU A 30 5.275 -1.274 12.253 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.427 -0.947 12.019 1.00 1.00 O ATOM 452 OE2 GLU A 30 4.808 -1.369 13.377 1.00 1.00 O ATOM 0 H GLU A 30 2.788 -3.240 8.767 1.00 1.00 H new ATOM 0 HA GLU A 30 3.329 -1.085 8.629 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.012 -2.030 9.741 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.486 -0.359 9.684 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.492 -0.932 11.093 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.001 -2.608 11.140 1.00 1.00 H new ATOM 459 N PHE A 31 4.398 -1.960 6.173 1.00 1.00 N ATOM 460 CA PHE A 31 5.005 -1.761 4.861 1.00 1.00 C ATOM 461 C PHE A 31 6.490 -2.109 4.905 1.00 1.00 C ATOM 462 O PHE A 31 6.886 -3.228 4.577 1.00 1.00 O ATOM 463 CB PHE A 31 4.823 -0.301 4.413 1.00 1.00 C ATOM 464 CG PHE A 31 3.437 -0.101 3.849 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.170 -0.462 2.526 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.422 0.434 4.648 1.00 1.00 C ATOM 467 CE1 PHE A 31 1.889 -0.284 2.000 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.143 0.609 4.125 1.00 1.00 C ATOM 469 CZ PHE A 31 0.873 0.249 2.799 1.00 1.00 C ATOM 0 H PHE A 31 3.546 -2.520 6.167 1.00 1.00 H new ATOM 0 HA PHE A 31 4.512 -2.419 4.145 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.981 0.369 5.258 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.570 -0.047 3.661 1.00 1.00 H new ATOM 0 HD1 PHE A 31 3.954 -0.878 1.911 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.630 0.712 5.671 1.00 1.00 H new ATOM 0 HE1 PHE A 31 1.683 -0.558 0.976 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.359 1.022 4.742 1.00 1.00 H new ATOM 0 HZ PHE A 31 -0.119 0.383 2.394 1.00 1.00 H new ATOM 479 N SER A 32 7.308 -1.143 5.310 1.00 1.00 N ATOM 480 CA SER A 32 8.750 -1.354 5.394 1.00 1.00 C ATOM 481 C SER A 32 9.363 -0.445 6.452 1.00 1.00 C ATOM 482 O SER A 32 8.715 0.477 6.945 1.00 1.00 O ATOM 483 CB SER A 32 9.393 -1.071 4.037 1.00 1.00 C ATOM 484 OG SER A 32 8.794 -1.902 3.051 1.00 1.00 O ATOM 0 H SER A 32 7.000 -0.210 5.584 1.00 1.00 H new ATOM 0 HA SER A 32 8.934 -2.391 5.675 1.00 1.00 H new ATOM 0 HB2 SER A 32 9.264 -0.022 3.772 1.00 1.00 H new ATOM 0 HB3 SER A 32 10.466 -1.258 4.084 1.00 1.00 H new ATOM 0 HG SER A 32 9.203 -1.722 2.179 1.00 1.00 H new ATOM 490 N LYS A 33 10.617 -0.717 6.798 1.00 1.00 N ATOM 491 CA LYS A 33 11.310 0.078 7.804 1.00 1.00 C ATOM 492 C LYS A 33 11.491 1.512 7.319 1.00 1.00 C ATOM 493 O LYS A 33 11.677 1.754 6.125 1.00 1.00 O ATOM 494 CB LYS A 33 12.681 -0.536 8.098 1.00 1.00 C ATOM 495 CG LYS A 33 12.496 -1.898 8.770 1.00 1.00 C ATOM 496 CD LYS A 33 13.867 -2.513 9.061 1.00 1.00 C ATOM 497 CE LYS A 33 13.684 -3.838 9.802 1.00 1.00 C ATOM 498 NZ LYS A 33 13.001 -4.817 8.910 1.00 1.00 N ATOM 0 H LYS A 33 11.170 -1.476 6.400 1.00 1.00 H new ATOM 0 HA LYS A 33 10.709 0.085 8.714 1.00 1.00 H new ATOM 0 HB2 LYS A 33 13.247 -0.649 7.173 1.00 1.00 H new ATOM 0 HB3 LYS A 33 13.257 0.126 8.745 1.00 1.00 H new ATOM 0 HG2 LYS A 33 11.932 -1.785 9.696 1.00 1.00 H new ATOM 0 HG3 LYS A 33 11.919 -2.559 8.124 1.00 1.00 H new ATOM 0 HD2 LYS A 33 14.409 -2.677 8.130 1.00 1.00 H new ATOM 0 HD3 LYS A 33 14.465 -1.828 9.662 1.00 1.00 H new ATOM 0 HE2 LYS A 33 14.652 -4.229 10.114 1.00 1.00 H new ATOM 0 HE3 LYS A 33 13.096 -3.683 10.707 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 13.115 -5.776 9.295 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 11.989 -4.586 8.851 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 13.422 -4.773 7.960 1.00 1.00 H new ATOM 512 N LEU A 34 11.428 2.457 8.249 1.00 1.00 N ATOM 513 CA LEU A 34 11.579 3.866 7.904 1.00 1.00 C ATOM 514 C LEU A 34 13.003 4.150 7.442 1.00 1.00 C ATOM 515 O LEU A 34 13.963 3.592 7.975 1.00 1.00 O ATOM 516 CB LEU A 34 11.255 4.736 9.118 1.00 1.00 C ATOM 517 CG LEU A 34 9.870 4.365 9.664 1.00 1.00 C ATOM 518 CD1 LEU A 34 9.565 5.220 10.898 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.799 4.606 8.587 1.00 1.00 C ATOM 0 H LEU A 34 11.275 2.276 9.241 1.00 1.00 H new ATOM 0 HA LEU A 34 10.889 4.100 7.093 1.00 1.00 H new ATOM 0 HB2 LEU A 34 12.011 4.595 9.891 1.00 1.00 H new ATOM 0 HB3 LEU A 34 11.277 5.789 8.839 1.00 1.00 H new ATOM 0 HG LEU A 34 9.862 3.311 9.940 1.00 1.00 H new ATOM 0 HD11 LEU A 34 8.581 4.958 11.288 1.00 1.00 H new ATOM 0 HD12 LEU A 34 10.319 5.037 11.663 1.00 1.00 H new ATOM 0 HD13 LEU A 34 9.577 6.274 10.622 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.819 4.340 8.983 1.00 1.00 H new ATOM 0 HD22 LEU A 34 8.802 5.658 8.300 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.017 3.991 7.714 1.00 1.00 H new ATOM 531 N GLY A 35 13.132 5.023 6.446 1.00 1.00 N ATOM 532 CA GLY A 35 14.445 5.380 5.910 1.00 1.00 C ATOM 533 C GLY A 35 14.466 6.833 5.451 1.00 1.00 C ATOM 534 O GLY A 35 13.660 7.244 4.617 1.00 1.00 O ATOM 0 H GLY A 35 12.348 5.495 5.995 1.00 1.00 H new ATOM 0 HA2 GLY A 35 15.208 5.224 6.672 1.00 1.00 H new ATOM 0 HA3 GLY A 35 14.691 4.726 5.073 1.00 1.00 H new ATOM 538 N ALA A 36 15.398 7.605 6.000 1.00 1.00 N ATOM 539 CA ALA A 36 15.521 9.012 5.640 1.00 1.00 C ATOM 540 C ALA A 36 16.222 9.159 4.293 1.00 1.00 C ATOM 541 O ALA A 36 16.231 10.240 3.703 1.00 1.00 O ATOM 542 CB ALA A 36 16.314 9.757 6.715 1.00 1.00 C ATOM 0 H ALA A 36 16.075 7.282 6.691 1.00 1.00 H new ATOM 0 HA ALA A 36 14.521 9.439 5.565 1.00 1.00 H new ATOM 0 HB1 ALA A 36 16.402 10.808 6.439 1.00 1.00 H new ATOM 0 HB2 ALA A 36 15.797 9.675 7.671 1.00 1.00 H new ATOM 0 HB3 ALA A 36 17.309 9.320 6.802 1.00 1.00 H new ATOM 548 N ASP A 37 16.811 8.068 3.815 1.00 1.00 N ATOM 549 CA ASP A 37 17.516 8.092 2.538 1.00 1.00 C ATOM 550 C ASP A 37 16.565 8.462 1.403 1.00 1.00 C ATOM 551 O ASP A 37 16.876 9.315 0.574 1.00 1.00 O ATOM 552 CB ASP A 37 18.133 6.721 2.259 1.00 1.00 C ATOM 553 CG ASP A 37 18.846 6.734 0.910 1.00 1.00 C ATOM 554 OD1 ASP A 37 19.819 7.459 0.785 1.00 1.00 O ATOM 555 OD2 ASP A 37 18.407 6.019 0.024 1.00 1.00 O ATOM 0 H ASP A 37 16.815 7.164 4.287 1.00 1.00 H new ATOM 0 HA ASP A 37 18.304 8.843 2.595 1.00 1.00 H new ATOM 0 HB2 ASP A 37 18.838 6.463 3.049 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.356 5.956 2.262 1.00 1.00 H new ATOM 560 N SER A 38 15.407 7.814 1.375 1.00 1.00 N ATOM 561 CA SER A 38 14.417 8.084 0.340 1.00 1.00 C ATOM 562 C SER A 38 13.042 7.603 0.784 1.00 1.00 C ATOM 563 O SER A 38 12.926 6.757 1.671 1.00 1.00 O ATOM 564 CB SER A 38 14.813 7.379 -0.957 1.00 1.00 C ATOM 0 H SER A 38 15.131 7.103 2.052 1.00 1.00 H new ATOM 0 HA SER A 38 14.377 9.160 0.169 1.00 1.00 H new ATOM 569 N LEU A 39 11.997 8.146 0.160 1.00 1.00 N ATOM 570 CA LEU A 39 10.621 7.771 0.494 1.00 1.00 C ATOM 571 C LEU A 39 9.985 7.012 -0.662 1.00 1.00 C ATOM 572 O LEU A 39 10.041 7.447 -1.812 1.00 1.00 O ATOM 573 CB LEU A 39 9.800 9.024 0.793 1.00 1.00 C ATOM 574 CG LEU A 39 10.497 9.849 1.880 1.00 1.00 C ATOM 575 CD1 LEU A 39 9.694 11.126 2.140 1.00 1.00 C ATOM 576 CD2 LEU A 39 10.601 9.028 3.179 1.00 1.00 C ATOM 0 H LEU A 39 12.075 8.846 -0.578 1.00 1.00 H new ATOM 0 HA LEU A 39 10.639 7.129 1.374 1.00 1.00 H new ATOM 0 HB2 LEU A 39 9.685 9.620 -0.112 1.00 1.00 H new ATOM 0 HB3 LEU A 39 8.798 8.745 1.120 1.00 1.00 H new ATOM 0 HG LEU A 39 11.501 10.110 1.545 1.00 1.00 H new ATOM 0 HD11 LEU A 39 10.187 11.715 2.913 1.00 1.00 H new ATOM 0 HD12 LEU A 39 9.633 11.711 1.222 1.00 1.00 H new ATOM 0 HD13 LEU A 39 8.689 10.863 2.470 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.098 9.622 3.946 1.00 1.00 H new ATOM 0 HD22 LEU A 39 9.601 8.758 3.520 1.00 1.00 H new ATOM 0 HD23 LEU A 39 11.178 8.122 2.992 1.00 1.00 H new ATOM 588 N ASP A 40 9.381 5.868 -0.348 1.00 1.00 N ATOM 589 CA ASP A 40 8.727 5.042 -1.360 1.00 1.00 C ATOM 590 C ASP A 40 7.231 5.335 -1.406 1.00 1.00 C ATOM 591 O ASP A 40 6.472 4.632 -2.073 1.00 1.00 O ATOM 592 CB ASP A 40 8.951 3.562 -1.054 1.00 1.00 C ATOM 593 CG ASP A 40 10.421 3.207 -1.252 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.152 4.051 -1.745 1.00 1.00 O ATOM 595 OD2 ASP A 40 10.794 2.098 -0.908 1.00 1.00 O ATOM 0 H ASP A 40 9.331 5.492 0.599 1.00 1.00 H new ATOM 0 HA ASP A 40 9.162 5.280 -2.331 1.00 1.00 H new ATOM 0 HB2 ASP A 40 8.650 3.344 -0.029 1.00 1.00 H new ATOM 0 HB3 ASP A 40 8.329 2.949 -1.706 1.00 1.00 H new ATOM 600 N THR A 41 6.814 6.371 -0.684 1.00 1.00 N ATOM 601 CA THR A 41 5.402 6.741 -0.645 1.00 1.00 C ATOM 602 C THR A 41 4.901 7.071 -2.046 1.00 1.00 C ATOM 603 O THR A 41 3.819 6.645 -2.441 1.00 1.00 O ATOM 604 CB THR A 41 5.203 7.954 0.267 1.00 1.00 C ATOM 605 OG1 THR A 41 5.626 7.625 1.583 1.00 1.00 O ATOM 606 CG2 THR A 41 3.722 8.344 0.295 1.00 1.00 C ATOM 0 H THR A 41 7.426 6.964 -0.123 1.00 1.00 H new ATOM 0 HA THR A 41 4.834 5.897 -0.254 1.00 1.00 H new ATOM 0 HB THR A 41 5.789 8.791 -0.112 1.00 1.00 H new ATOM 0 HG1 THR A 41 5.502 8.400 2.170 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.585 9.208 0.946 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.392 8.593 -0.714 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.133 7.508 0.673 1.00 1.00 H new ATOM 614 N VAL A 42 5.700 7.830 -2.791 1.00 1.00 N ATOM 615 CA VAL A 42 5.336 8.211 -4.153 1.00 1.00 C ATOM 616 C VAL A 42 5.254 6.973 -5.042 1.00 1.00 C ATOM 617 O VAL A 42 4.363 6.849 -5.878 1.00 1.00 O ATOM 618 CB VAL A 42 6.366 9.188 -4.720 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.018 9.506 -6.178 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.346 10.478 -3.899 1.00 1.00 C ATOM 0 H VAL A 42 6.600 8.192 -2.477 1.00 1.00 H new ATOM 0 HA VAL A 42 4.361 8.697 -4.130 1.00 1.00 H new ATOM 0 HB VAL A 42 7.359 8.740 -4.673 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.752 10.203 -6.584 1.00 1.00 H new ATOM 0 HG12 VAL A 42 6.028 8.587 -6.763 1.00 1.00 H new ATOM 0 HG13 VAL A 42 5.026 9.955 -6.226 1.00 1.00 H new ATOM 0 HG21 VAL A 42 7.080 11.177 -4.301 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.353 10.926 -3.949 1.00 1.00 H new ATOM 0 HG23 VAL A 42 6.591 10.253 -2.861 1.00 1.00 H new ATOM 630 N GLU A 43 6.200 6.063 -4.872 1.00 1.00 N ATOM 631 CA GLU A 43 6.210 4.843 -5.668 1.00 1.00 C ATOM 632 C GLU A 43 5.087 3.908 -5.228 1.00 1.00 C ATOM 633 O GLU A 43 4.386 3.331 -6.060 1.00 1.00 O ATOM 634 CB GLU A 43 7.554 4.134 -5.521 1.00 1.00 C ATOM 635 CG GLU A 43 8.638 4.964 -6.206 1.00 1.00 C ATOM 636 CD GLU A 43 10.001 4.321 -5.992 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.051 3.284 -5.349 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.978 4.872 -6.475 1.00 1.00 O ATOM 0 H GLU A 43 6.963 6.142 -4.199 1.00 1.00 H new ATOM 0 HA GLU A 43 6.056 5.112 -6.713 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.794 4.000 -4.466 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.505 3.140 -5.966 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.428 5.043 -7.273 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.638 5.978 -5.806 1.00 1.00 H new ATOM 645 N ILE A 44 4.933 3.749 -3.917 1.00 1.00 N ATOM 646 CA ILE A 44 3.902 2.861 -3.387 1.00 1.00 C ATOM 647 C ILE A 44 2.506 3.380 -3.692 1.00 1.00 C ATOM 648 O ILE A 44 1.660 2.644 -4.189 1.00 1.00 O ATOM 649 CB ILE A 44 4.068 2.723 -1.862 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.366 1.959 -1.538 1.00 1.00 C ATOM 651 CG2 ILE A 44 2.864 1.984 -1.258 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.170 0.442 -1.709 1.00 1.00 C ATOM 0 H ILE A 44 5.500 4.216 -3.210 1.00 1.00 H new ATOM 0 HA ILE A 44 4.020 1.890 -3.869 1.00 1.00 H new ATOM 0 HB ILE A 44 4.123 3.721 -1.427 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.167 2.302 -2.193 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.675 2.177 -0.516 1.00 1.00 H new ATOM 0 HG21 ILE A 44 2.996 1.894 -0.180 1.00 1.00 H new ATOM 0 HG22 ILE A 44 1.952 2.543 -1.467 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.789 0.990 -1.698 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.101 -0.074 -1.474 1.00 1.00 H new ATOM 0 HD12 ILE A 44 4.385 0.098 -1.035 1.00 1.00 H new ATOM 0 HD13 ILE A 44 4.885 0.226 -2.739 1.00 1.00 H new ATOM 664 N VAL A 45 2.265 4.643 -3.389 1.00 1.00 N ATOM 665 CA VAL A 45 0.950 5.221 -3.620 1.00 1.00 C ATOM 666 C VAL A 45 0.568 5.090 -5.088 1.00 1.00 C ATOM 667 O VAL A 45 -0.574 4.769 -5.418 1.00 1.00 O ATOM 668 CB VAL A 45 0.963 6.700 -3.220 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.786 7.498 -4.231 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.469 7.239 -3.187 1.00 1.00 C ATOM 0 H VAL A 45 2.951 5.282 -2.988 1.00 1.00 H new ATOM 0 HA VAL A 45 0.216 4.687 -3.016 1.00 1.00 H new ATOM 0 HB VAL A 45 1.409 6.800 -2.230 1.00 1.00 H new ATOM 0 HG11 VAL A 45 1.794 8.550 -3.945 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.808 7.119 -4.248 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.344 7.395 -5.222 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.455 8.291 -2.902 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.919 7.136 -4.174 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -1.054 6.674 -2.461 1.00 1.00 H new ATOM 680 N MET A 46 1.528 5.353 -5.963 1.00 1.00 N ATOM 681 CA MET A 46 1.279 5.274 -7.392 1.00 1.00 C ATOM 682 C MET A 46 0.915 3.846 -7.793 1.00 1.00 C ATOM 683 O MET A 46 0.026 3.630 -8.615 1.00 1.00 O ATOM 684 CB MET A 46 2.521 5.729 -8.162 1.00 1.00 C ATOM 685 CG MET A 46 2.138 6.053 -9.600 1.00 1.00 C ATOM 686 SD MET A 46 1.237 7.627 -9.643 1.00 1.00 S ATOM 687 CE MET A 46 -0.329 7.009 -10.314 1.00 1.00 C ATOM 0 H MET A 46 2.479 5.621 -5.710 1.00 1.00 H new ATOM 0 HA MET A 46 0.443 5.929 -7.637 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.957 6.606 -7.684 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.280 4.947 -8.144 1.00 1.00 H new ATOM 0 HG2 MET A 46 3.032 6.116 -10.221 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.519 5.256 -10.012 1.00 1.00 H new ATOM 0 HE1 MET A 46 -1.031 7.836 -10.419 1.00 1.00 H new ATOM 0 HE2 MET A 46 -0.153 6.556 -11.290 1.00 1.00 H new ATOM 0 HE3 MET A 46 -0.745 6.263 -9.638 1.00 1.00 H new ATOM 697 N ASN A 47 1.607 2.869 -7.207 1.00 1.00 N ATOM 698 CA ASN A 47 1.343 1.471 -7.517 1.00 1.00 C ATOM 699 C ASN A 47 -0.081 1.091 -7.116 1.00 1.00 C ATOM 700 O ASN A 47 -0.811 0.478 -7.891 1.00 1.00 O ATOM 701 CB ASN A 47 2.357 0.587 -6.766 1.00 1.00 C ATOM 702 CG ASN A 47 3.665 0.495 -7.545 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.571 1.302 -7.342 1.00 1.00 O ATOM 704 ND2 ASN A 47 3.813 -0.452 -8.427 1.00 1.00 N ATOM 0 H ASN A 47 2.347 3.021 -6.522 1.00 1.00 H new ATOM 0 HA ASN A 47 1.447 1.318 -8.591 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.545 1.001 -5.775 1.00 1.00 H new ATOM 0 HB3 ASN A 47 1.942 -0.410 -6.621 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.683 -0.527 -8.953 1.00 1.00 H new ATOM 0 HD22 ASN A 47 3.058 -1.118 -8.591 1.00 1.00 H new ATOM 711 N LEU A 48 -0.470 1.466 -5.905 1.00 1.00 N ATOM 712 CA LEU A 48 -1.809 1.160 -5.418 1.00 1.00 C ATOM 713 C LEU A 48 -2.849 1.942 -6.208 1.00 1.00 C ATOM 714 O LEU A 48 -3.870 1.399 -6.627 1.00 1.00 O ATOM 715 CB LEU A 48 -1.908 1.511 -3.926 1.00 1.00 C ATOM 716 CG LEU A 48 -0.739 0.865 -3.154 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.567 1.569 -1.808 1.00 1.00 C ATOM 718 CD2 LEU A 48 -1.033 -0.615 -2.898 1.00 1.00 C ATOM 0 H LEU A 48 0.117 1.978 -5.246 1.00 1.00 H new ATOM 0 HA LEU A 48 -2.000 0.095 -5.550 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.887 2.593 -3.796 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.858 1.160 -3.524 1.00 1.00 H new ATOM 0 HG LEU A 48 0.170 0.960 -3.748 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.259 1.113 -1.262 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -0.353 2.625 -1.974 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.484 1.472 -1.227 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.202 -1.062 -2.353 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.945 -0.708 -2.309 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.161 -1.130 -3.850 1.00 1.00 H new ATOM 730 N GLU A 49 -2.578 3.219 -6.422 1.00 1.00 N ATOM 731 CA GLU A 49 -3.501 4.059 -7.166 1.00 1.00 C ATOM 732 C GLU A 49 -3.629 3.557 -8.597 1.00 1.00 C ATOM 733 O GLU A 49 -4.708 3.595 -9.188 1.00 1.00 O ATOM 734 CB GLU A 49 -3.006 5.505 -7.164 1.00 1.00 C ATOM 735 CG GLU A 49 -4.078 6.414 -7.771 1.00 1.00 C ATOM 736 CD GLU A 49 -3.576 7.853 -7.810 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.613 8.142 -7.116 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.149 8.642 -8.540 1.00 1.00 O ATOM 0 H GLU A 49 -1.736 3.692 -6.095 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.480 4.016 -6.688 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.780 5.822 -6.146 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.081 5.584 -7.735 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.324 6.078 -8.778 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -4.993 6.355 -7.182 1.00 1.00 H new ATOM 745 N GLU A 50 -2.517 3.086 -9.151 1.00 1.00 N ATOM 746 CA GLU A 50 -2.513 2.571 -10.515 1.00 1.00 C ATOM 747 C GLU A 50 -3.181 1.200 -10.578 1.00 1.00 C ATOM 748 O GLU A 50 -3.975 0.928 -11.479 1.00 1.00 O ATOM 749 CB GLU A 50 -1.077 2.466 -11.035 1.00 1.00 C ATOM 750 CG GLU A 50 -1.090 2.011 -12.497 1.00 1.00 C ATOM 751 CD GLU A 50 0.330 1.991 -13.052 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.204 2.548 -12.408 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.523 1.417 -14.112 1.00 1.00 O ATOM 0 H GLU A 50 -1.613 3.050 -8.680 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.075 3.264 -11.141 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.577 3.431 -10.949 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.511 1.759 -10.429 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.532 1.018 -12.573 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.711 2.683 -13.090 1.00 1.00 H new ATOM 760 N GLU A 51 -2.846 0.335 -9.623 1.00 1.00 N ATOM 761 CA GLU A 51 -3.414 -1.007 -9.590 1.00 1.00 C ATOM 762 C GLU A 51 -4.919 -0.948 -9.347 1.00 1.00 C ATOM 763 O GLU A 51 -5.709 -1.431 -10.159 1.00 1.00 O ATOM 764 CB GLU A 51 -2.752 -1.820 -8.476 1.00 1.00 C ATOM 765 CG GLU A 51 -3.171 -3.288 -8.583 1.00 1.00 C ATOM 766 CD GLU A 51 -2.506 -3.929 -9.797 1.00 1.00 C ATOM 767 OE1 GLU A 51 -1.664 -3.281 -10.394 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.848 -5.057 -10.108 1.00 1.00 O ATOM 0 H GLU A 51 -2.190 0.538 -8.869 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.231 -1.484 -10.553 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.668 -1.736 -8.548 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.039 -1.421 -7.503 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -2.888 -3.823 -7.677 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -4.255 -3.361 -8.670 1.00 1.00 H new ATOM 775 N PHE A 52 -5.308 -0.348 -8.228 1.00 1.00 N ATOM 776 CA PHE A 52 -6.721 -0.226 -7.886 1.00 1.00 C ATOM 777 C PHE A 52 -7.439 0.655 -8.899 1.00 1.00 C ATOM 778 O PHE A 52 -8.599 0.413 -9.233 1.00 1.00 O ATOM 779 CB PHE A 52 -6.877 0.359 -6.481 1.00 1.00 C ATOM 780 CG PHE A 52 -6.453 -0.666 -5.454 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.183 -1.855 -5.308 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.331 -0.433 -4.649 1.00 1.00 C ATOM 783 CE1 PHE A 52 -6.788 -2.803 -4.356 1.00 1.00 C ATOM 784 CE2 PHE A 52 -4.942 -1.379 -3.701 1.00 1.00 C ATOM 785 CZ PHE A 52 -5.668 -2.562 -3.554 1.00 1.00 C ATOM 0 H PHE A 52 -4.669 0.060 -7.545 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.168 -1.220 -7.907 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.271 1.260 -6.382 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.913 0.652 -6.311 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -8.048 -2.039 -5.928 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.766 0.481 -4.762 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -7.348 -3.719 -4.241 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.078 -1.196 -3.080 1.00 1.00 H new ATOM 0 HZ PHE A 52 -5.364 -3.293 -2.819 1.00 1.00 H new ATOM 795 N GLY A 53 -6.744 1.681 -9.383 1.00 1.00 N ATOM 796 CA GLY A 53 -7.329 2.595 -10.357 1.00 1.00 C ATOM 797 C GLY A 53 -8.103 3.707 -9.664 1.00 1.00 C ATOM 798 O GLY A 53 -9.068 4.240 -10.212 1.00 1.00 O ATOM 0 H GLY A 53 -5.783 1.899 -9.119 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.542 3.026 -10.976 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.993 2.045 -11.024 1.00 1.00 H new ATOM 802 N ILE A 54 -7.677 4.053 -8.451 1.00 1.00 N ATOM 803 CA ILE A 54 -8.336 5.109 -7.683 1.00 1.00 C ATOM 804 C ILE A 54 -7.548 6.411 -7.789 1.00 1.00 C ATOM 805 O ILE A 54 -6.738 6.585 -8.698 1.00 1.00 O ATOM 806 CB ILE A 54 -8.457 4.688 -6.218 1.00 1.00 C ATOM 807 CG1 ILE A 54 -7.063 4.356 -5.665 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.373 3.469 -6.113 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.136 4.031 -4.172 1.00 1.00 C ATOM 0 H ILE A 54 -6.882 3.620 -7.980 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.334 5.271 -8.091 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.885 5.503 -5.634 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.644 3.508 -6.207 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.392 5.200 -5.826 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.460 3.168 -5.069 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.360 3.721 -6.501 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.953 2.647 -6.694 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.138 3.799 -3.801 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.533 4.890 -3.632 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.789 3.172 -4.018 1.00 1.00 H new ATOM 821 N ASN A 55 -7.792 7.327 -6.852 1.00 1.00 N ATOM 822 CA ASN A 55 -7.102 8.617 -6.842 1.00 1.00 C ATOM 823 C ASN A 55 -6.699 8.987 -5.420 1.00 1.00 C ATOM 824 O ASN A 55 -7.480 9.577 -4.673 1.00 1.00 O ATOM 825 CB ASN A 55 -8.018 9.700 -7.422 1.00 1.00 C ATOM 826 CG ASN A 55 -9.446 9.495 -6.925 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.358 9.291 -7.725 1.00 1.00 O ATOM 828 ND2 ASN A 55 -9.695 9.534 -5.645 1.00 1.00 N ATOM 0 H ASN A 55 -8.460 7.200 -6.092 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.203 8.541 -7.454 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.660 10.687 -7.128 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.994 9.663 -8.511 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.647 9.395 -5.306 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -8.938 9.703 -4.983 1.00 1.00 H new ATOM 835 N VAL A 56 -5.469 8.639 -5.051 1.00 1.00 N ATOM 836 CA VAL A 56 -4.971 8.939 -3.713 1.00 1.00 C ATOM 837 C VAL A 56 -4.366 10.339 -3.676 1.00 1.00 C ATOM 838 O VAL A 56 -3.519 10.682 -4.500 1.00 1.00 O ATOM 839 CB VAL A 56 -3.908 7.917 -3.310 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.339 8.291 -1.932 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.530 6.511 -3.254 1.00 1.00 C ATOM 0 H VAL A 56 -4.805 8.154 -5.654 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.805 8.891 -3.013 1.00 1.00 H new ATOM 0 HB VAL A 56 -3.105 7.919 -4.047 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.581 7.564 -1.642 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -2.891 9.283 -1.981 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.142 8.292 -1.195 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.768 5.787 -2.966 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.337 6.499 -2.521 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -4.927 6.249 -4.235 1.00 1.00 H new ATOM 851 N ASP A 57 -4.806 11.140 -2.710 1.00 1.00 N ATOM 852 CA ASP A 57 -4.304 12.503 -2.562 1.00 1.00 C ATOM 853 C ASP A 57 -3.083 12.524 -1.647 1.00 1.00 C ATOM 854 O ASP A 57 -2.988 11.735 -0.707 1.00 1.00 O ATOM 855 CB ASP A 57 -5.398 13.401 -1.978 1.00 1.00 C ATOM 856 CG ASP A 57 -6.525 13.570 -2.991 1.00 1.00 C ATOM 857 OD1 ASP A 57 -6.294 13.295 -4.158 1.00 1.00 O ATOM 858 OD2 ASP A 57 -7.606 13.967 -2.586 1.00 1.00 O ATOM 0 H ASP A 57 -5.507 10.870 -2.020 1.00 1.00 H new ATOM 0 HA ASP A 57 -4.016 12.875 -3.545 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.787 12.964 -1.058 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.982 14.374 -1.718 1.00 1.00 H new ATOM 863 N GLU A 58 -2.157 13.433 -1.923 1.00 1.00 N ATOM 864 CA GLU A 58 -0.948 13.552 -1.117 1.00 1.00 C ATOM 865 C GLU A 58 -1.306 13.752 0.352 1.00 1.00 C ATOM 866 O GLU A 58 -0.469 13.574 1.235 1.00 1.00 O ATOM 867 CB GLU A 58 -0.115 14.738 -1.609 1.00 1.00 C ATOM 868 CG GLU A 58 -0.965 16.012 -1.575 1.00 1.00 C ATOM 869 CD GLU A 58 -0.152 17.195 -2.088 1.00 1.00 C ATOM 870 OE1 GLU A 58 1.040 17.027 -2.293 1.00 1.00 O ATOM 871 OE2 GLU A 58 -0.732 18.253 -2.272 1.00 1.00 O ATOM 0 H GLU A 58 -2.219 14.096 -2.695 1.00 1.00 H new ATOM 0 HA GLU A 58 -0.369 12.634 -1.216 1.00 1.00 H new ATOM 0 HB2 GLU A 58 0.768 14.861 -0.981 1.00 1.00 H new ATOM 0 HB3 GLU A 58 0.238 14.551 -2.623 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -1.857 15.880 -2.187 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -1.303 16.206 -0.557 1.00 1.00 H new ATOM 878 N ASP A 59 -2.559 14.122 0.605 1.00 1.00 N ATOM 879 CA ASP A 59 -3.017 14.339 1.975 1.00 1.00 C ATOM 880 C ASP A 59 -3.418 13.023 2.616 1.00 1.00 C ATOM 881 O ASP A 59 -3.401 12.885 3.839 1.00 1.00 O ATOM 882 CB ASP A 59 -4.211 15.296 1.982 1.00 1.00 C ATOM 883 CG ASP A 59 -3.746 16.705 1.629 1.00 1.00 C ATOM 884 OD1 ASP A 59 -2.551 16.943 1.683 1.00 1.00 O ATOM 885 OD2 ASP A 59 -4.590 17.525 1.308 1.00 1.00 O ATOM 0 H ASP A 59 -3.268 14.276 -0.111 1.00 1.00 H new ATOM 0 HA ASP A 59 -2.199 14.776 2.547 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -4.962 14.961 1.266 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -4.684 15.295 2.964 1.00 1.00 H new ATOM 890 N LYS A 60 -3.778 12.050 1.782 1.00 1.00 N ATOM 891 CA LYS A 60 -4.181 10.738 2.275 1.00 1.00 C ATOM 892 C LYS A 60 -3.004 9.777 2.263 1.00 1.00 C ATOM 893 O LYS A 60 -3.098 8.667 2.778 1.00 1.00 O ATOM 894 CB LYS A 60 -5.331 10.190 1.404 1.00 1.00 C ATOM 895 CG LYS A 60 -6.677 10.307 2.140 1.00 1.00 C ATOM 896 CD LYS A 60 -6.722 9.333 3.333 1.00 1.00 C ATOM 897 CE LYS A 60 -8.171 8.991 3.671 1.00 1.00 C ATOM 898 NZ LYS A 60 -8.227 8.406 5.037 1.00 1.00 N ATOM 0 H LYS A 60 -3.799 12.146 0.767 1.00 1.00 H new ATOM 0 HA LYS A 60 -4.527 10.837 3.304 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.376 10.741 0.465 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -5.138 9.147 1.153 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -6.819 11.329 2.491 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.495 10.089 1.453 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.171 8.424 3.092 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -6.234 9.781 4.198 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.790 9.886 3.620 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -8.570 8.285 2.943 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -8.840 7.566 5.030 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -7.269 8.133 5.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -8.611 9.109 5.700 1.00 1.00 H new ATOM 912 N ALA A 61 -1.899 10.200 1.670 1.00 1.00 N ATOM 913 CA ALA A 61 -0.707 9.359 1.597 1.00 1.00 C ATOM 914 C ALA A 61 0.480 10.072 2.219 1.00 1.00 C ATOM 915 O ALA A 61 1.581 10.040 1.680 1.00 1.00 O ATOM 916 CB ALA A 61 -0.398 9.032 0.137 1.00 1.00 C ATOM 0 H ALA A 61 -1.799 11.116 1.233 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.894 8.437 2.147 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.492 8.404 0.085 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -1.242 8.502 -0.304 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -0.223 9.956 -0.414 1.00 1.00 H new ATOM 922 N GLN A 62 0.251 10.719 3.359 1.00 1.00 N ATOM 923 CA GLN A 62 1.318 11.442 4.057 1.00 1.00 C ATOM 924 C GLN A 62 1.558 10.844 5.438 1.00 1.00 C ATOM 925 O GLN A 62 2.691 10.804 5.919 1.00 1.00 O ATOM 926 CB GLN A 62 0.942 12.916 4.197 1.00 1.00 C ATOM 927 CG GLN A 62 -0.415 13.034 4.889 1.00 1.00 C ATOM 928 CD GLN A 62 -0.840 14.496 4.952 1.00 1.00 C ATOM 929 OE1 GLN A 62 -2.034 14.800 4.922 1.00 1.00 O ATOM 930 NE2 GLN A 62 0.070 15.428 5.038 1.00 1.00 N ATOM 0 H GLN A 62 -0.658 10.759 3.820 1.00 1.00 H new ATOM 0 HA GLN A 62 2.234 11.353 3.472 1.00 1.00 H new ATOM 0 HB2 GLN A 62 1.703 13.443 4.773 1.00 1.00 H new ATOM 0 HB3 GLN A 62 0.903 13.387 3.215 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -1.161 12.452 4.347 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -0.357 12.619 5.895 1.00 1.00 H new ATOM 0 HE21 GLN A 62 1.058 15.175 5.063 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -0.207 16.409 5.080 1.00 1.00 H new ATOM 939 N ASP A 63 0.485 10.384 6.077 1.00 1.00 N ATOM 940 CA ASP A 63 0.585 9.792 7.413 1.00 1.00 C ATOM 941 C ASP A 63 -0.265 8.529 7.511 1.00 1.00 C ATOM 942 O ASP A 63 -1.036 8.360 8.460 1.00 1.00 O ATOM 943 CB ASP A 63 0.122 10.802 8.460 1.00 1.00 C ATOM 944 CG ASP A 63 1.157 11.913 8.600 1.00 1.00 C ATOM 945 OD1 ASP A 63 2.249 11.748 8.082 1.00 1.00 O ATOM 946 OD2 ASP A 63 0.842 12.913 9.224 1.00 1.00 O ATOM 0 H ASP A 63 -0.461 10.408 5.695 1.00 1.00 H new ATOM 0 HA ASP A 63 1.626 9.525 7.595 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -0.841 11.224 8.171 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -0.023 10.305 9.419 1.00 1.00 H new ATOM 951 N ILE A 64 -0.114 7.638 6.536 1.00 1.00 N ATOM 952 CA ILE A 64 -0.864 6.385 6.526 1.00 1.00 C ATOM 953 C ILE A 64 -0.139 5.319 7.336 1.00 1.00 C ATOM 954 O ILE A 64 1.055 5.080 7.151 1.00 1.00 O ATOM 955 CB ILE A 64 -1.063 5.898 5.086 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.956 6.893 4.323 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.707 4.509 5.080 1.00 1.00 C ATOM 958 CD1 ILE A 64 -3.350 7.007 4.976 1.00 1.00 C ATOM 0 H ILE A 64 0.518 7.759 5.745 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.838 6.566 6.980 1.00 1.00 H new ATOM 0 HB ILE A 64 -0.092 5.835 4.596 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -1.479 7.873 4.304 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -2.062 6.570 3.287 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.843 4.175 4.051 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.062 3.806 5.607 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.676 4.555 5.577 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.958 7.717 4.415 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.835 6.031 4.971 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -3.243 7.354 6.004 1.00 1.00 H new ATOM 970 N SER A 65 -0.881 4.683 8.232 1.00 1.00 N ATOM 971 CA SER A 65 -0.322 3.636 9.077 1.00 1.00 C ATOM 972 C SER A 65 0.056 2.434 8.217 1.00 1.00 C ATOM 973 O SER A 65 0.061 2.516 6.992 1.00 1.00 O ATOM 974 CB SER A 65 -1.336 3.211 10.158 1.00 1.00 C ATOM 975 OG SER A 65 -1.718 1.853 9.957 1.00 1.00 O ATOM 0 H SER A 65 -1.870 4.873 8.393 1.00 1.00 H new ATOM 0 HA SER A 65 0.568 4.023 9.573 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.897 3.332 11.148 1.00 1.00 H new ATOM 0 HB3 SER A 65 -2.215 3.855 10.118 1.00 1.00 H new ATOM 0 HG SER A 65 -2.361 1.588 10.648 1.00 1.00 H new ATOM 981 N THR A 66 0.380 1.331 8.874 1.00 1.00 N ATOM 982 CA THR A 66 0.754 0.109 8.177 1.00 1.00 C ATOM 983 C THR A 66 -0.251 -0.217 7.077 1.00 1.00 C ATOM 984 O THR A 66 -1.132 0.579 6.761 1.00 1.00 O ATOM 985 CB THR A 66 0.824 -1.059 9.166 1.00 1.00 C ATOM 986 OG1 THR A 66 1.326 -2.210 8.501 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.563 -1.373 9.718 1.00 1.00 C ATOM 0 H THR A 66 0.392 1.257 9.891 1.00 1.00 H new ATOM 0 HA THR A 66 1.733 0.263 7.723 1.00 1.00 H new ATOM 0 HB THR A 66 1.483 -0.781 9.989 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.615 -2.880 8.425 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.496 -2.205 10.419 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.957 -0.496 10.232 1.00 1.00 H new ATOM 0 HG23 THR A 66 -1.229 -1.642 8.898 1.00 1.00 H new ATOM 995 N ILE A 67 -0.113 -1.396 6.488 1.00 1.00 N ATOM 996 CA ILE A 67 -1.008 -1.802 5.416 1.00 1.00 C ATOM 997 C ILE A 67 -2.458 -1.780 5.899 1.00 1.00 C ATOM 998 O ILE A 67 -3.350 -1.329 5.183 1.00 1.00 O ATOM 999 CB ILE A 67 -0.645 -3.214 4.944 1.00 1.00 C ATOM 1000 CG1 ILE A 67 0.723 -3.193 4.251 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.700 -3.725 3.967 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.272 -4.624 4.120 1.00 1.00 C ATOM 0 H ILE A 67 0.602 -2.081 6.731 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.901 -1.103 4.587 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.605 -3.876 5.809 1.00 1.00 H new ATOM 0 HG12 ILE A 67 0.633 -2.738 3.265 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.419 -2.579 4.822 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.434 -4.729 3.637 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.671 -3.751 4.461 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.749 -3.060 3.104 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.244 -4.597 3.627 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.380 -5.064 5.111 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.582 -5.226 3.529 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.686 -2.268 7.111 1.00 1.00 N ATOM 1015 CA GLN A 68 -4.035 -2.296 7.670 1.00 1.00 C ATOM 1016 C GLN A 68 -4.769 -0.989 7.374 1.00 1.00 C ATOM 1017 O GLN A 68 -5.875 -1.002 6.831 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.959 -2.510 9.185 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.460 -3.925 9.481 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.597 -4.931 9.300 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.223 -5.337 10.280 1.00 1.00 O ATOM 1022 NE2 GLN A 68 -4.922 -5.337 8.104 1.00 1.00 N ATOM 0 H GLN A 68 -1.963 -2.647 7.723 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.585 -3.116 7.209 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.288 -1.776 9.632 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.941 -2.359 9.633 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.634 -4.174 8.815 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.076 -3.978 10.500 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.403 -5.001 7.293 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -5.695 -5.991 7.980 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.157 0.135 7.726 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.770 1.427 7.485 1.00 1.00 C ATOM 1033 C GLN A 69 -4.858 1.711 5.992 1.00 1.00 C ATOM 1034 O GLN A 69 -5.859 2.238 5.510 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.933 2.507 8.158 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.604 3.862 8.019 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.926 3.872 8.777 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -6.035 3.266 9.844 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -6.938 4.528 8.289 1.00 1.00 N ATOM 0 H GLN A 69 -3.243 0.174 8.176 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.779 1.422 7.896 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.799 2.267 9.213 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -2.940 2.538 7.710 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.948 4.642 8.405 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -4.778 4.084 6.966 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -6.843 5.028 7.405 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -7.826 4.542 8.790 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.797 1.374 5.267 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.770 1.618 3.830 1.00 1.00 C ATOM 1050 C ALA A 70 -4.917 0.893 3.142 1.00 1.00 C ATOM 1051 O ALA A 70 -5.622 1.467 2.314 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.444 1.143 3.242 1.00 1.00 C ATOM 0 H ALA A 70 -2.956 0.937 5.644 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.878 2.690 3.664 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.434 1.330 2.168 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.623 1.684 3.712 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.326 0.075 3.425 1.00 1.00 H new ATOM 1058 N ALA A 71 -5.100 -0.373 3.495 1.00 1.00 N ATOM 1059 CA ALA A 71 -6.166 -1.165 2.906 1.00 1.00 C ATOM 1060 C ALA A 71 -7.521 -0.514 3.158 1.00 1.00 C ATOM 1061 O ALA A 71 -8.342 -0.401 2.250 1.00 1.00 O ATOM 1062 CB ALA A 71 -6.160 -2.570 3.512 1.00 1.00 C ATOM 0 H ALA A 71 -4.529 -0.868 4.180 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.998 -1.225 1.831 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.961 -3.161 3.068 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -5.201 -3.049 3.311 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -6.313 -2.502 4.589 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.746 -0.080 4.395 1.00 1.00 N ATOM 1069 CA ASP A 72 -9.009 0.556 4.748 1.00 1.00 C ATOM 1070 C ASP A 72 -9.192 1.848 3.952 1.00 1.00 C ATOM 1071 O ASP A 72 -10.286 2.143 3.474 1.00 1.00 O ATOM 1072 CB ASP A 72 -9.037 0.864 6.255 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.500 -0.356 7.044 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.600 -0.819 6.784 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.750 -0.814 7.888 1.00 1.00 O ATOM 0 H ASP A 72 -7.077 -0.156 5.162 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.824 -0.126 4.506 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.044 1.164 6.589 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.705 1.703 6.448 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.114 2.612 3.814 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.180 3.866 3.070 1.00 1.00 C ATOM 1082 C VAL A 73 -8.558 3.601 1.616 1.00 1.00 C ATOM 1083 O VAL A 73 -9.385 4.307 1.040 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.825 4.587 3.143 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.729 5.662 2.052 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.675 5.253 4.515 1.00 1.00 C ATOM 0 H VAL A 73 -7.197 2.391 4.201 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.945 4.501 3.516 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.032 3.855 2.992 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.763 6.163 2.118 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.829 5.196 1.072 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.526 6.392 2.190 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.714 5.765 4.568 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -7.479 5.975 4.659 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.725 4.494 5.295 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.936 2.592 1.026 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.206 2.257 -0.365 1.00 1.00 C ATOM 1098 C ILE A 74 -9.664 1.867 -0.548 1.00 1.00 C ATOM 1099 O ILE A 74 -10.307 2.274 -1.514 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.290 1.115 -0.813 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.847 1.626 -0.904 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.739 0.580 -2.182 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.878 0.440 -0.917 1.00 1.00 C ATOM 0 H ILE A 74 -7.247 1.995 1.483 1.00 1.00 H new ATOM 0 HA ILE A 74 -8.007 3.134 -0.981 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.346 0.306 -0.085 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.719 2.222 -1.807 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.628 2.278 -0.058 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -7.080 -0.232 -2.490 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.762 0.209 -2.110 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.695 1.382 -2.919 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.854 0.808 -0.982 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.999 -0.138 -0.001 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -5.091 -0.194 -1.777 1.00 1.00 H new ATOM 1115 N GLU A 75 -10.178 1.072 0.378 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.565 0.637 0.299 1.00 1.00 C ATOM 1117 C GLU A 75 -12.491 1.832 0.111 1.00 1.00 C ATOM 1118 O GLU A 75 -13.445 1.773 -0.665 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.944 -0.124 1.573 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.330 -1.522 1.539 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.663 -2.260 2.826 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.287 -1.662 3.687 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.288 -3.412 2.934 1.00 1.00 O ATOM 0 H GLU A 75 -9.663 0.718 1.184 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.675 -0.024 -0.561 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.591 0.418 2.450 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -13.028 -0.194 1.657 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.712 -2.076 0.682 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.249 -1.452 1.418 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.205 2.917 0.819 1.00 1.00 N ATOM 1131 CA GLY A 76 -13.018 4.123 0.712 1.00 1.00 C ATOM 1132 C GLY A 76 -12.762 4.833 -0.604 1.00 1.00 C ATOM 1133 O GLY A 76 -13.610 5.580 -1.093 1.00 1.00 O ATOM 0 H GLY A 76 -11.422 2.988 1.469 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -14.074 3.863 0.790 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.792 4.793 1.541 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.584 4.606 -1.176 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.226 5.243 -2.439 1.00 1.00 C ATOM 1139 C LEU A 77 -11.719 4.416 -3.615 1.00 1.00 C ATOM 1140 O LEU A 77 -11.628 4.836 -4.765 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.710 5.411 -2.526 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.244 6.409 -1.457 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.717 6.375 -1.363 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.697 7.838 -1.823 1.00 1.00 C ATOM 0 H LEU A 77 -10.867 3.992 -0.790 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.702 6.223 -2.478 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.218 4.449 -2.380 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.429 5.766 -3.518 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.684 6.131 -0.499 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.383 7.083 -0.604 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.392 5.371 -1.091 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.287 6.647 -2.327 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.359 8.535 -1.056 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.268 8.121 -2.784 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.785 7.869 -1.888 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.243 3.237 -3.324 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.759 2.353 -4.368 1.00 1.00 C ATOM 1158 C LEU A 78 -14.261 2.548 -4.544 1.00 1.00 C ATOM 1159 O LEU A 78 -14.862 2.008 -5.475 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.465 0.895 -3.998 1.00 1.00 C ATOM 1161 CG LEU A 78 -11.022 0.519 -4.375 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.629 -0.779 -3.663 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.896 0.317 -5.897 1.00 1.00 C ATOM 0 H LEU A 78 -12.324 2.866 -2.377 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.266 2.598 -5.309 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.617 0.748 -2.929 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.164 0.236 -4.513 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.360 1.329 -4.068 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.606 -1.045 -3.930 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.697 -0.637 -2.584 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.304 -1.579 -3.967 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.868 0.052 -6.145 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.564 -0.484 -6.214 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.166 1.240 -6.410 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.858 3.294 -3.636 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.297 3.523 -3.680 1.00 1.00 C ATOM 1177 C GLU A 79 -16.699 4.246 -4.945 1.00 1.00 C ATOM 1178 O GLU A 79 -17.536 3.771 -5.707 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.724 4.354 -2.479 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.257 3.672 -1.200 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.693 4.484 0.019 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -17.320 5.513 -0.172 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.392 4.066 1.126 1.00 1.00 O ATOM 0 H GLU A 79 -14.377 3.751 -2.862 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.791 2.551 -3.660 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.299 5.355 -2.546 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.808 4.468 -2.469 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -16.672 2.666 -1.143 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.172 3.569 -1.209 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.095 5.391 -5.163 1.00 1.00 N ATOM 1191 CA LYS A 80 -16.409 6.175 -6.355 1.00 1.00 C ATOM 1192 C LYS A 80 -16.112 5.377 -7.623 1.00 1.00 C ATOM 1193 O LYS A 80 -16.830 5.470 -8.615 1.00 1.00 O ATOM 1194 CB LYS A 80 -15.602 7.485 -6.346 1.00 1.00 C ATOM 1195 CG LYS A 80 -14.184 7.296 -6.922 1.00 1.00 C ATOM 1196 CD LYS A 80 -13.343 6.424 -5.989 1.00 1.00 C ATOM 1197 CE LYS A 80 -12.956 7.215 -4.729 1.00 1.00 C ATOM 1198 NZ LYS A 80 -11.478 7.221 -4.609 1.00 1.00 N ATOM 0 H LYS A 80 -15.394 5.803 -4.548 1.00 1.00 H new ATOM 0 HA LYS A 80 -17.473 6.412 -6.345 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -16.131 8.240 -6.927 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -15.531 7.860 -5.325 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -14.243 6.834 -7.907 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -13.705 8.266 -7.053 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -13.904 5.532 -5.709 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -12.445 6.087 -6.506 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -13.334 8.235 -4.792 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -13.405 6.762 -3.845 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -11.195 7.850 -3.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -11.142 6.256 -4.414 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -11.059 7.561 -5.498 1.00 1.00 H new ATOM 1212 N LYS A 81 -15.003 4.636 -7.589 1.00 1.00 N ATOM 1213 CA LYS A 81 -14.565 3.852 -8.740 1.00 1.00 C ATOM 1214 C LYS A 81 -14.022 2.502 -8.296 1.00 1.00 C ATOM 1215 O LYS A 81 -13.119 2.427 -7.461 1.00 1.00 O ATOM 1216 CB LYS A 81 -13.481 4.613 -9.519 1.00 1.00 C ATOM 1217 CG LYS A 81 -13.115 3.828 -10.778 1.00 1.00 C ATOM 1218 CD LYS A 81 -12.115 4.629 -11.613 1.00 1.00 C ATOM 1219 CE LYS A 81 -11.766 3.848 -12.881 1.00 1.00 C ATOM 1220 NZ LYS A 81 -10.817 4.643 -13.709 1.00 1.00 N ATOM 0 H LYS A 81 -14.393 4.564 -6.775 1.00 1.00 H new ATOM 0 HA LYS A 81 -15.426 3.688 -9.388 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -13.841 5.606 -9.788 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -12.599 4.752 -8.894 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -12.686 2.864 -10.505 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -14.011 3.623 -11.364 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -12.539 5.598 -11.876 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -11.213 4.822 -11.032 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -11.321 2.888 -12.619 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -12.671 3.635 -13.450 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -10.580 4.112 -14.571 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -11.258 5.548 -13.970 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -9.950 4.825 -13.165 1.00 1.00 H new ATOM 1234 N ALA A 82 -14.572 1.438 -8.862 1.00 1.00 N ATOM 1235 CA ALA A 82 -14.136 0.094 -8.519 1.00 1.00 C ATOM 1236 C ALA A 82 -12.696 -0.136 -8.971 1.00 1.00 C ATOM 1237 O ALA A 82 -12.236 0.611 -9.817 1.00 1.00 O ATOM 1238 CB ALA A 82 -15.053 -0.934 -9.183 1.00 1.00 C ATOM 1239 OXT ALA A 82 -12.078 -1.056 -8.463 1.00 1.00 O ATOM 0 H ALA A 82 -15.317 1.479 -9.557 1.00 1.00 H new ATOM 0 HA ALA A 82 -14.185 -0.020 -7.436 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -14.722 -1.939 -8.923 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -16.076 -0.788 -8.835 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -15.016 -0.809 -10.265 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 14.029 7.889 -2.029 1.00 1.00 O HETATM 1247 P24 PNS A 101 14.439 7.592 -3.556 1.00 1.00 P HETATM 1248 O25 PNS A 101 13.304 7.976 -4.425 1.00 1.00 O HETATM 1249 O26 PNS A 101 15.780 8.168 -3.795 1.00 1.00 O HETATM 1250 O27 PNS A 101 14.570 5.986 -3.579 1.00 1.00 O HETATM 1251 C28 PNS A 101 15.088 5.320 -4.724 1.00 1.00 C HETATM 1252 C29 PNS A 101 15.675 3.969 -4.296 1.00 1.00 C HETATM 1253 C30 PNS A 101 16.725 4.181 -3.206 1.00 1.00 C HETATM 1254 C31 PNS A 101 16.315 3.296 -5.517 1.00 1.00 C HETATM 1255 C32 PNS A 101 14.569 3.079 -3.732 1.00 1.00 C HETATM 1256 O33 PNS A 101 13.677 2.756 -4.785 1.00 1.00 O HETATM 1257 C34 PNS A 101 15.159 1.795 -3.154 1.00 1.00 C HETATM 1258 O35 PNS A 101 15.428 0.839 -3.881 1.00 1.00 O HETATM 1259 N36 PNS A 101 15.361 1.785 -1.842 1.00 1.00 N HETATM 1260 C37 PNS A 101 15.924 0.618 -1.175 1.00 1.00 C HETATM 1261 C38 PNS A 101 14.930 -0.542 -1.215 1.00 1.00 C HETATM 1262 C39 PNS A 101 15.391 -1.654 -0.278 1.00 1.00 C HETATM 1263 O40 PNS A 101 16.554 -2.056 -0.303 1.00 1.00 O HETATM 1264 N41 PNS A 101 14.474 -2.145 0.547 1.00 1.00 N HETATM 1265 C42 PNS A 101 14.799 -3.209 1.491 1.00 1.00 C HETATM 1266 C43 PNS A 101 15.469 -2.627 2.737 1.00 1.00 C HETATM 1267 S44 PNS A 101 14.506 -1.247 3.343 1.00 1.00 S HETATM 0 H432 PNS A 101 15.553 -3.392 3.509 1.00 1.00 H new HETATM 0 H431 PNS A 101 16.482 -2.301 2.500 1.00 1.00 H new HETATM 0 H422 PNS A 101 15.462 -3.934 1.018 1.00 1.00 H new HETATM 0 H421 PNS A 101 13.892 -3.743 1.774 1.00 1.00 H new HETATM 0 H382 PNS A 101 14.844 -0.924 -2.232 1.00 1.00 H new HETATM 0 H381 PNS A 101 13.940 -0.194 -0.921 1.00 1.00 H new HETATM 0 H372 PNS A 101 16.167 0.863 -0.141 1.00 1.00 H new HETATM 0 H371 PNS A 101 16.855 0.326 -1.661 1.00 1.00 H new HETATM 0 H313 PNS A 101 16.736 2.334 -5.224 1.00 1.00 H new HETATM 0 H312 PNS A 101 17.107 3.933 -5.910 1.00 1.00 H new HETATM 0 H311 PNS A 101 15.558 3.142 -6.286 1.00 1.00 H new HETATM 0 H303 PNS A 101 17.138 3.218 -2.906 1.00 1.00 H new HETATM 0 H302 PNS A 101 16.263 4.661 -2.344 1.00 1.00 H new HETATM 0 H301 PNS A 101 17.524 4.815 -3.589 1.00 1.00 H new HETATM 0 H282 PNS A 101 15.856 5.930 -5.199 1.00 1.00 H new HETATM 0 H281 PNS A 101 14.299 5.171 -5.461 1.00 1.00 H new HETATM 0 H41 PNS A 101 13.525 -1.772 0.520 1.00 1.00 H new HETATM 0 H36 PNS A 101 15.118 2.608 -1.291 1.00 1.00 H new HETATM 0 H33 PNS A 101 13.789 1.814 -5.031 1.00 1.00 H new HETATM 0 H32 PNS A 101 14.046 3.607 -2.935 1.00 1.00 H new HETATM 1288 C1 STE A 102 15.075 0.335 2.896 1.00 1.00 C HETATM 1289 O1 STE A 102 16.059 0.518 2.215 1.00 1.00 O HETATM 1290 C2 STE A 102 14.200 1.416 3.449 1.00 1.00 C HETATM 1291 C3 STE A 102 12.899 1.488 2.652 1.00 1.00 C HETATM 1292 C4 STE A 102 12.167 2.781 3.003 1.00 1.00 C HETATM 1293 C5 STE A 102 10.795 2.798 2.325 1.00 1.00 C HETATM 1294 C6 STE A 102 9.906 3.873 2.977 1.00 1.00 C HETATM 1295 C7 STE A 102 9.169 3.279 4.195 1.00 1.00 C HETATM 1296 C8 STE A 102 7.869 2.587 3.739 1.00 1.00 C HETATM 1297 C9 STE A 102 6.734 3.610 3.690 1.00 1.00 C HETATM 1298 C10 STE A 102 5.458 2.935 3.195 1.00 1.00 C HETATM 1299 C11 STE A 102 4.436 4.003 2.804 1.00 1.00 C HETATM 1300 C12 STE A 102 3.053 3.369 2.697 1.00 1.00 C HETATM 1301 C13 STE A 102 2.071 4.387 2.119 1.00 1.00 C HETATM 1302 C14 STE A 102 0.700 3.730 1.950 1.00 1.00 C HETATM 1303 C15 STE A 102 -0.169 4.593 1.036 1.00 1.00 C HETATM 1304 C16 STE A 102 -1.521 3.908 0.821 1.00 1.00 C HETATM 1305 C17 STE A 102 -2.223 4.524 -0.391 1.00 1.00 C HETATM 1306 C18 STE A 102 -3.542 3.793 -0.652 1.00 1.00 C HETATM 0 H183 STE A 102 -3.342 2.740 -0.848 1.00 1.00 H new HETATM 0 H182 STE A 102 -4.187 3.883 0.222 1.00 1.00 H new HETATM 0 H181 STE A 102 -4.038 4.235 -1.516 1.00 1.00 H new HETATM 0 H172 STE A 102 -2.412 5.583 -0.214 1.00 1.00 H new HETATM 0 H171 STE A 102 -1.580 4.457 -1.268 1.00 1.00 H new HETATM 0 H162 STE A 102 -1.377 2.839 0.666 1.00 1.00 H new HETATM 0 H161 STE A 102 -2.142 4.021 1.710 1.00 1.00 H new HETATM 0 H152 STE A 102 -0.315 5.578 1.479 1.00 1.00 H new HETATM 0 H151 STE A 102 0.330 4.745 0.079 1.00 1.00 H new HETATM 0 H142 STE A 102 0.813 2.732 1.526 1.00 1.00 H new HETATM 0 H141 STE A 102 0.219 3.612 2.921 1.00 1.00 H new HETATM 0 H132 STE A 102 1.994 5.250 2.780 1.00 1.00 H new HETATM 0 H131 STE A 102 2.432 4.753 1.158 1.00 1.00 H new HETATM 0 H122 STE A 102 3.094 2.485 2.060 1.00 1.00 H new HETATM 0 H121 STE A 102 2.715 3.039 3.679 1.00 1.00 H new HETATM 0 H112 STE A 102 4.426 4.801 3.547 1.00 1.00 H new HETATM 0 H111 STE A 102 4.714 4.457 1.853 1.00 1.00 H new HETATM 0 H102 STE A 102 5.679 2.298 2.339 1.00 1.00 H new HETATM 0 H101 STE A 102 5.048 2.292 3.974 1.00 1.00 H new HETATM 0 H92 STE A 102 6.572 4.036 4.680 1.00 1.00 H new HETATM 0 H91 STE A 102 7.002 4.434 3.029 1.00 1.00 H new HETATM 0 H82 STE A 102 8.010 2.138 2.756 1.00 1.00 H new HETATM 0 H81 STE A 102 7.615 1.779 4.425 1.00 1.00 H new HETATM 0 H72 STE A 102 9.812 2.562 4.706 1.00 1.00 H new HETATM 0 H71 STE A 102 8.939 4.068 4.911 1.00 1.00 H new HETATM 0 H62 STE A 102 10.516 4.721 3.288 1.00 1.00 H new HETATM 0 H61 STE A 102 9.184 4.249 2.252 1.00 1.00 H new HETATM 0 H52 STE A 102 10.908 3.002 1.260 1.00 1.00 H new HETATM 0 H51 STE A 102 10.323 1.820 2.414 1.00 1.00 H new HETATM 0 H42 STE A 102 12.050 2.862 4.084 1.00 1.00 H new HETATM 0 H41 STE A 102 12.753 3.641 2.680 1.00 1.00 H new HETATM 0 H32 STE A 102 13.111 1.454 1.583 1.00 1.00 H new HETATM 0 H31 STE A 102 12.271 0.627 2.880 1.00 1.00 H new HETATM 0 H22 STE A 102 13.983 1.219 4.499 1.00 1.00 H new HETATM 0 H21 STE A 102 14.718 2.374 3.404 1.00 1.00 H new