USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 669 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 38 TYR OH : rot -176:sc= 0.00212 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.064 K(o=-0.062,f=-0.68) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.246 K(o=0.25,f=-0.85!) USER MOD Set 2.2: A 63 CYS SG : rot -18:sc= 0.493 USER MOD Set 3.1: A 57 MET CE :methyl -113:sc= -1.18 (180deg=-3.1!) USER MOD Set 3.2: A 65 CYS SG : rot 81:sc= -0.707 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -14:sc= 0.356! USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc=-0.00592 USER MOD Single : A 14 THR OG1 : rot 55:sc= 0.0681 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.00091 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.77 K(o=-1.8,f=-2.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.8! C(o=-2.8!,f=-7.1!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.41) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -15:sc= -0.658 USER MOD Single : A 48 SER OG : rot 129:sc= 0.0994 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 127:sc= 0.294 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.216 K(o=-0.22,f=-0.73) USER MOD Single : A 80 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.27) USER MOD Single : A 82 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.29) USER MOD Single : A 89 THR OG1 : rot -82:sc= 0.448 USER MOD Single : A 90 SER OG : rot 15:sc= 1.34 USER MOD Single : A 91 SER OG : rot 180:sc= -0.0349 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0529 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.809 -1.096 34.027 1.00 0.00 N ATOM 2 CA GLY A 1 23.030 -2.062 35.088 1.00 0.00 C ATOM 3 C GLY A 1 23.027 -3.491 34.581 1.00 0.00 C ATOM 4 O GLY A 1 23.993 -3.940 33.964 1.00 0.00 O ATOM 0 H1 GLY A 1 22.820 -0.135 34.425 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.561 -1.185 33.315 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.887 -1.275 33.581 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.984 -1.853 35.572 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.256 -1.947 35.847 1.00 0.00 H new ATOM 8 N SER A 2 21.939 -4.207 34.843 1.00 0.00 N ATOM 9 CA SER A 2 21.816 -5.596 34.414 1.00 0.00 C ATOM 10 C SER A 2 20.436 -5.861 33.822 1.00 0.00 C ATOM 11 O SER A 2 20.292 -6.044 32.613 1.00 0.00 O ATOM 12 CB SER A 2 22.068 -6.540 35.592 1.00 0.00 C ATOM 13 OG SER A 2 23.451 -6.626 35.890 1.00 0.00 O ATOM 0 H SER A 2 21.130 -3.849 35.350 1.00 0.00 H new ATOM 0 HA SER A 2 22.564 -5.780 33.643 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.525 -6.186 36.468 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.681 -7.532 35.357 1.00 0.00 H new ATOM 0 HG SER A 2 23.585 -7.234 36.647 1.00 0.00 H new ATOM 19 N SER A 3 19.423 -5.881 34.682 1.00 0.00 N ATOM 20 CA SER A 3 18.054 -6.128 34.245 1.00 0.00 C ATOM 21 C SER A 3 17.374 -4.828 33.826 1.00 0.00 C ATOM 22 O SER A 3 17.649 -3.764 34.380 1.00 0.00 O ATOM 23 CB SER A 3 17.252 -6.798 35.363 1.00 0.00 C ATOM 24 OG SER A 3 17.240 -8.206 35.208 1.00 0.00 O ATOM 0 H SER A 3 19.524 -5.729 35.686 1.00 0.00 H new ATOM 0 HA SER A 3 18.089 -6.794 33.383 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.684 -6.539 36.330 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.230 -6.420 35.359 1.00 0.00 H new ATOM 0 HG SER A 3 16.723 -8.611 35.935 1.00 0.00 H new ATOM 30 N GLY A 4 16.485 -4.922 32.842 1.00 0.00 N ATOM 31 CA GLY A 4 15.780 -3.748 32.364 1.00 0.00 C ATOM 32 C GLY A 4 15.583 -3.760 30.861 1.00 0.00 C ATOM 33 O GLY A 4 16.212 -4.547 30.153 1.00 0.00 O ATOM 0 H GLY A 4 16.241 -5.791 32.367 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.808 -3.687 32.854 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.336 -2.854 32.647 1.00 0.00 H new ATOM 37 N SER A 5 14.707 -2.888 30.373 1.00 0.00 N ATOM 38 CA SER A 5 14.426 -2.806 28.945 1.00 0.00 C ATOM 39 C SER A 5 14.138 -1.367 28.529 1.00 0.00 C ATOM 40 O SER A 5 13.349 -0.670 29.169 1.00 0.00 O ATOM 41 CB SER A 5 13.237 -3.700 28.585 1.00 0.00 C ATOM 42 OG SER A 5 12.009 -3.068 28.904 1.00 0.00 O ATOM 0 H SER A 5 14.180 -2.229 30.945 1.00 0.00 H new ATOM 0 HA SER A 5 15.308 -3.152 28.407 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.263 -3.934 27.521 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.313 -4.646 29.122 1.00 0.00 H new ATOM 0 HG SER A 5 11.265 -3.658 28.663 1.00 0.00 H new ATOM 48 N SER A 6 14.782 -0.927 27.453 1.00 0.00 N ATOM 49 CA SER A 6 14.599 0.430 26.954 1.00 0.00 C ATOM 50 C SER A 6 14.927 0.511 25.466 1.00 0.00 C ATOM 51 O SER A 6 16.005 0.106 25.034 1.00 0.00 O ATOM 52 CB SER A 6 15.481 1.407 27.735 1.00 0.00 C ATOM 53 OG SER A 6 16.719 1.615 27.077 1.00 0.00 O ATOM 0 H SER A 6 15.436 -1.491 26.910 1.00 0.00 H new ATOM 0 HA SER A 6 13.553 0.703 27.094 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.962 2.359 27.849 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.659 1.019 28.738 1.00 0.00 H new ATOM 0 HG SER A 6 16.846 0.925 26.393 1.00 0.00 H new ATOM 59 N GLY A 7 13.987 1.037 24.687 1.00 0.00 N ATOM 60 CA GLY A 7 14.193 1.161 23.256 1.00 0.00 C ATOM 61 C GLY A 7 13.192 2.094 22.604 1.00 0.00 C ATOM 62 O GLY A 7 12.007 2.071 22.936 1.00 0.00 O ATOM 0 H GLY A 7 13.086 1.380 25.021 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.202 1.527 23.068 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.120 0.176 22.795 1.00 0.00 H new ATOM 66 N GLN A 8 13.669 2.917 21.677 1.00 0.00 N ATOM 67 CA GLN A 8 12.806 3.863 20.979 1.00 0.00 C ATOM 68 C GLN A 8 12.056 4.748 21.969 1.00 0.00 C ATOM 69 O GLN A 8 10.900 4.484 22.301 1.00 0.00 O ATOM 70 CB GLN A 8 11.811 3.118 20.088 1.00 0.00 C ATOM 71 CG GLN A 8 12.303 2.915 18.664 1.00 0.00 C ATOM 72 CD GLN A 8 12.075 4.132 17.789 1.00 0.00 C ATOM 73 OE1 GLN A 8 10.950 4.616 17.659 1.00 0.00 O ATOM 74 NE2 GLN A 8 13.144 4.634 17.183 1.00 0.00 N ATOM 0 H GLN A 8 14.648 2.948 21.391 1.00 0.00 H new ATOM 0 HA GLN A 8 13.436 4.498 20.356 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.596 2.146 20.531 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.872 3.672 20.064 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.367 2.679 18.681 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.793 2.057 18.226 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.058 4.201 17.319 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.052 5.453 16.582 1.00 0.00 H new ATOM 83 N MET A 9 12.721 5.799 22.438 1.00 0.00 N ATOM 84 CA MET A 9 12.116 6.723 23.390 1.00 0.00 C ATOM 85 C MET A 9 12.564 8.155 23.117 1.00 0.00 C ATOM 86 O MET A 9 13.721 8.508 23.345 1.00 0.00 O ATOM 87 CB MET A 9 12.482 6.326 24.822 1.00 0.00 C ATOM 88 CG MET A 9 11.401 5.520 25.524 1.00 0.00 C ATOM 89 SD MET A 9 11.979 4.775 27.061 1.00 0.00 S ATOM 90 CE MET A 9 11.141 3.192 27.006 1.00 0.00 C ATOM 0 H MET A 9 13.678 6.032 22.174 1.00 0.00 H new ATOM 0 HA MET A 9 11.034 6.671 23.271 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.404 5.745 24.805 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.685 7.228 25.400 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.550 6.168 25.736 1.00 0.00 H new ATOM 0 HG3 MET A 9 11.046 4.736 24.855 1.00 0.00 H new ATOM 0 HE1 MET A 9 11.399 2.613 27.893 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.063 3.352 26.977 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.451 2.647 26.114 1.00 0.00 H new ATOM 100 N SER A 10 11.640 8.977 22.628 1.00 0.00 N ATOM 101 CA SER A 10 11.941 10.370 22.321 1.00 0.00 C ATOM 102 C SER A 10 11.104 11.310 23.183 1.00 0.00 C ATOM 103 O SER A 10 9.898 11.116 23.343 1.00 0.00 O ATOM 104 CB SER A 10 11.684 10.654 20.839 1.00 0.00 C ATOM 105 OG SER A 10 12.431 11.774 20.398 1.00 0.00 O ATOM 0 H SER A 10 10.677 8.702 22.436 1.00 0.00 H new ATOM 0 HA SER A 10 12.994 10.545 22.541 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.950 9.779 20.246 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.621 10.836 20.679 1.00 0.00 H new ATOM 0 HG SER A 10 12.251 11.934 19.448 1.00 0.00 H new ATOM 111 N LEU A 11 11.752 12.329 23.736 1.00 0.00 N ATOM 112 CA LEU A 11 11.070 13.301 24.583 1.00 0.00 C ATOM 113 C LEU A 11 10.444 12.621 25.797 1.00 0.00 C ATOM 114 O LEU A 11 10.448 11.395 25.903 1.00 0.00 O ATOM 115 CB LEU A 11 9.992 14.035 23.783 1.00 0.00 C ATOM 116 CG LEU A 11 10.462 14.732 22.506 1.00 0.00 C ATOM 117 CD1 LEU A 11 9.974 13.979 21.277 1.00 0.00 C ATOM 118 CD2 LEU A 11 9.979 16.174 22.476 1.00 0.00 C ATOM 0 H LEU A 11 12.749 12.504 23.613 1.00 0.00 H new ATOM 0 HA LEU A 11 11.808 14.022 24.934 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.214 13.319 23.517 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.531 14.780 24.431 1.00 0.00 H new ATOM 0 HG LEU A 11 11.552 14.735 22.497 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.318 14.489 20.377 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.370 12.963 21.292 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.885 13.944 21.280 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.323 16.654 21.560 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.890 16.194 22.509 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.378 16.709 23.338 1.00 0.00 H new ATOM 130 N GLU A 12 9.905 13.426 26.707 1.00 0.00 N ATOM 131 CA GLU A 12 9.274 12.901 27.912 1.00 0.00 C ATOM 132 C GLU A 12 8.267 13.898 28.477 1.00 0.00 C ATOM 133 O GLU A 12 8.415 15.108 28.313 1.00 0.00 O ATOM 134 CB GLU A 12 10.332 12.575 28.968 1.00 0.00 C ATOM 135 CG GLU A 12 10.215 11.170 29.534 1.00 0.00 C ATOM 136 CD GLU A 12 11.346 10.827 30.484 1.00 0.00 C ATOM 137 OE1 GLU A 12 11.547 11.576 31.463 1.00 0.00 O ATOM 138 OE2 GLU A 12 12.030 9.809 30.248 1.00 0.00 O ATOM 0 H GLU A 12 9.893 14.443 26.633 1.00 0.00 H new ATOM 0 HA GLU A 12 8.744 11.987 27.645 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.322 12.699 28.529 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.253 13.294 29.784 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.264 11.071 30.057 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.204 10.452 28.714 1.00 0.00 H new ATOM 145 N GLY A 13 7.239 13.380 29.144 1.00 0.00 N ATOM 146 CA GLY A 13 6.222 14.237 29.723 1.00 0.00 C ATOM 147 C GLY A 13 4.917 14.191 28.952 1.00 0.00 C ATOM 148 O GLY A 13 4.095 15.102 29.052 1.00 0.00 O ATOM 0 H GLY A 13 7.093 12.382 29.293 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.042 13.936 30.755 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.588 15.263 29.750 1.00 0.00 H new ATOM 152 N THR A 14 4.727 13.127 28.178 1.00 0.00 N ATOM 153 CA THR A 14 3.515 12.966 27.384 1.00 0.00 C ATOM 154 C THR A 14 2.753 11.710 27.792 1.00 0.00 C ATOM 155 O THR A 14 2.886 10.661 27.164 1.00 0.00 O ATOM 156 CB THR A 14 3.834 12.892 25.879 1.00 0.00 C ATOM 157 OG1 THR A 14 4.963 12.040 25.659 1.00 0.00 O ATOM 158 CG2 THR A 14 4.122 14.277 25.319 1.00 0.00 C ATOM 0 H THR A 14 5.397 12.364 28.084 1.00 0.00 H new ATOM 0 HA THR A 14 2.895 13.842 27.574 1.00 0.00 H new ATOM 0 HB THR A 14 2.964 12.482 25.365 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.797 11.165 26.067 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.345 14.200 24.255 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.250 14.916 25.462 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.978 14.709 25.838 1.00 0.00 H new ATOM 166 N GLU A 15 1.953 11.826 28.848 1.00 0.00 N ATOM 167 CA GLU A 15 1.170 10.698 29.339 1.00 0.00 C ATOM 168 C GLU A 15 -0.318 10.918 29.085 1.00 0.00 C ATOM 169 O GLU A 15 -0.866 11.973 29.406 1.00 0.00 O ATOM 170 CB GLU A 15 1.418 10.489 30.835 1.00 0.00 C ATOM 171 CG GLU A 15 0.871 9.174 31.364 1.00 0.00 C ATOM 172 CD GLU A 15 1.929 8.342 32.064 1.00 0.00 C ATOM 173 OE1 GLU A 15 3.046 8.222 31.519 1.00 0.00 O ATOM 174 OE2 GLU A 15 1.639 7.812 33.157 1.00 0.00 O ATOM 0 H GLU A 15 1.830 12.688 29.379 1.00 0.00 H new ATOM 0 HA GLU A 15 1.486 9.806 28.798 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.490 10.530 31.026 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.964 11.311 31.388 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.055 9.377 32.058 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.451 8.601 30.538 1.00 0.00 H new ATOM 181 N LYS A 16 -0.968 9.914 28.507 1.00 0.00 N ATOM 182 CA LYS A 16 -2.393 9.994 28.210 1.00 0.00 C ATOM 183 C LYS A 16 -2.696 11.192 27.315 1.00 0.00 C ATOM 184 O LYS A 16 -1.786 11.890 26.868 1.00 0.00 O ATOM 185 CB LYS A 16 -3.201 10.096 29.506 1.00 0.00 C ATOM 186 CG LYS A 16 -3.053 8.885 30.411 1.00 0.00 C ATOM 187 CD LYS A 16 -4.394 8.223 30.679 1.00 0.00 C ATOM 188 CE LYS A 16 -4.259 7.066 31.658 1.00 0.00 C ATOM 189 NZ LYS A 16 -4.649 5.768 31.040 1.00 0.00 N ATOM 0 H LYS A 16 -0.530 9.034 28.235 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.679 9.085 27.681 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.888 10.987 30.051 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.254 10.228 29.258 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.377 8.165 29.950 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.601 9.188 31.355 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.091 8.960 31.078 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.816 7.860 29.742 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.229 7.006 32.009 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.883 7.255 32.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.543 5.005 31.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.640 5.816 30.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.037 5.575 30.222 1.00 0.00 H new ATOM 203 N ALA A 17 -3.979 11.425 27.058 1.00 0.00 N ATOM 204 CA ALA A 17 -4.400 12.540 26.220 1.00 0.00 C ATOM 205 C ALA A 17 -4.800 13.743 27.067 1.00 0.00 C ATOM 206 O ALA A 17 -5.503 13.604 28.068 1.00 0.00 O ATOM 207 CB ALA A 17 -5.553 12.119 25.321 1.00 0.00 C ATOM 0 H ALA A 17 -4.745 10.856 27.419 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.555 12.832 25.596 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.857 12.962 24.701 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.234 11.295 24.683 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.395 11.798 25.935 1.00 0.00 H new ATOM 213 N SER A 18 -4.347 14.925 26.660 1.00 0.00 N ATOM 214 CA SER A 18 -4.654 16.152 27.385 1.00 0.00 C ATOM 215 C SER A 18 -6.158 16.405 27.412 1.00 0.00 C ATOM 216 O SER A 18 -6.655 17.170 28.239 1.00 0.00 O ATOM 217 CB SER A 18 -3.936 17.341 26.744 1.00 0.00 C ATOM 218 OG SER A 18 -2.581 17.032 26.470 1.00 0.00 O ATOM 0 H SER A 18 -3.766 15.058 25.832 1.00 0.00 H new ATOM 0 HA SER A 18 -4.305 16.036 28.411 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.442 17.620 25.820 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.988 18.203 27.409 1.00 0.00 H new ATOM 0 HG SER A 18 -2.145 17.808 26.059 1.00 0.00 H new ATOM 224 N TRP A 19 -6.876 15.759 26.502 1.00 0.00 N ATOM 225 CA TRP A 19 -8.325 15.913 26.420 1.00 0.00 C ATOM 226 C TRP A 19 -9.034 14.634 26.850 1.00 0.00 C ATOM 227 O TRP A 19 -10.211 14.433 26.549 1.00 0.00 O ATOM 228 CB TRP A 19 -8.739 16.287 24.996 1.00 0.00 C ATOM 229 CG TRP A 19 -8.048 15.473 23.944 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.888 15.788 23.295 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.475 14.212 23.417 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.568 14.798 22.397 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.525 13.820 22.454 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.565 13.375 23.667 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.636 12.629 21.741 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.674 12.194 22.960 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.714 11.829 22.007 1.00 0.00 C ATOM 0 H TRP A 19 -6.480 15.123 25.810 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.619 16.714 27.098 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.817 16.161 24.893 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.524 17.342 24.828 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.308 16.683 23.463 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.750 14.793 21.787 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.310 13.647 24.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.898 12.347 21.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.514 11.540 23.145 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.827 10.898 21.472 1.00 0.00 H new ATOM 248 N LEU A 20 -8.311 13.770 27.555 1.00 0.00 N ATOM 249 CA LEU A 20 -8.872 12.509 28.027 1.00 0.00 C ATOM 250 C LEU A 20 -9.157 12.566 29.524 1.00 0.00 C ATOM 251 O LEU A 20 -8.259 12.809 30.329 1.00 0.00 O ATOM 252 CB LEU A 20 -7.913 11.356 27.722 1.00 0.00 C ATOM 253 CG LEU A 20 -8.314 10.438 26.567 1.00 0.00 C ATOM 254 CD1 LEU A 20 -7.279 9.341 26.374 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.690 9.837 26.816 1.00 0.00 C ATOM 0 H LEU A 20 -7.335 13.920 27.812 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.813 12.340 27.503 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.931 11.775 27.503 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.807 10.750 28.622 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.359 11.032 25.654 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.581 8.697 25.548 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.311 9.789 26.150 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.202 8.749 27.286 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.959 9.186 25.984 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.672 9.257 27.739 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.426 10.636 26.904 1.00 0.00 H new ATOM 267 N GLY A 21 -10.415 12.339 29.891 1.00 0.00 N ATOM 268 CA GLY A 21 -10.796 12.367 31.291 1.00 0.00 C ATOM 269 C GLY A 21 -11.720 13.523 31.617 1.00 0.00 C ATOM 270 O GLY A 21 -12.404 13.509 32.640 1.00 0.00 O ATOM 0 H GLY A 21 -11.177 12.136 29.244 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.287 11.429 31.549 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.900 12.438 31.907 1.00 0.00 H new ATOM 274 N GLU A 22 -11.740 14.527 30.746 1.00 0.00 N ATOM 275 CA GLU A 22 -12.585 15.697 30.949 1.00 0.00 C ATOM 276 C GLU A 22 -13.547 15.884 29.779 1.00 0.00 C ATOM 277 O GLU A 22 -13.194 15.631 28.627 1.00 0.00 O ATOM 278 CB GLU A 22 -11.726 16.951 31.123 1.00 0.00 C ATOM 279 CG GLU A 22 -12.487 18.136 31.694 1.00 0.00 C ATOM 280 CD GLU A 22 -12.836 17.955 33.158 1.00 0.00 C ATOM 281 OE1 GLU A 22 -12.054 17.298 33.877 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.891 18.469 33.585 1.00 0.00 O ATOM 0 H GLU A 22 -11.181 14.553 29.893 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.169 15.538 31.855 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.887 16.718 31.779 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.307 17.231 30.157 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.888 19.039 31.576 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.403 18.285 31.122 1.00 0.00 H new ATOM 289 N GLN A 23 -14.762 16.327 30.084 1.00 0.00 N ATOM 290 CA GLN A 23 -15.775 16.545 29.058 1.00 0.00 C ATOM 291 C GLN A 23 -15.298 17.569 28.032 1.00 0.00 C ATOM 292 O GLN A 23 -14.384 18.355 28.282 1.00 0.00 O ATOM 293 CB GLN A 23 -17.083 17.015 29.695 1.00 0.00 C ATOM 294 CG GLN A 23 -17.991 15.876 30.131 1.00 0.00 C ATOM 295 CD GLN A 23 -19.260 16.365 30.801 1.00 0.00 C ATOM 296 OE1 GLN A 23 -20.252 16.664 30.135 1.00 0.00 O ATOM 297 NE2 GLN A 23 -19.235 16.449 32.126 1.00 0.00 N ATOM 0 H GLN A 23 -15.069 16.542 31.033 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.948 15.598 28.546 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.853 17.637 30.560 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.619 17.644 28.984 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -18.253 15.272 29.262 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.449 15.227 30.818 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -18.391 16.191 32.638 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.060 16.772 32.632 1.00 0.00 H new ATOM 306 N PRO A 24 -15.931 17.561 26.850 1.00 0.00 N ATOM 307 CA PRO A 24 -15.588 18.483 25.763 1.00 0.00 C ATOM 308 C PRO A 24 -15.985 19.922 26.076 1.00 0.00 C ATOM 309 O PRO A 24 -15.630 20.846 25.344 1.00 0.00 O ATOM 310 CB PRO A 24 -16.399 17.951 24.578 1.00 0.00 C ATOM 311 CG PRO A 24 -17.548 17.234 25.197 1.00 0.00 C ATOM 312 CD PRO A 24 -17.030 16.652 26.483 1.00 0.00 C ATOM 0 HA PRO A 24 -14.514 18.517 25.582 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.739 18.763 23.935 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.802 17.282 23.958 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.378 17.915 25.384 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.921 16.451 24.537 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.802 16.624 27.252 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.678 15.629 26.348 1.00 0.00 H new ATOM 320 N GLN A 25 -16.722 20.103 27.167 1.00 0.00 N ATOM 321 CA GLN A 25 -17.166 21.430 27.576 1.00 0.00 C ATOM 322 C GLN A 25 -16.098 22.130 28.409 1.00 0.00 C ATOM 323 O GLN A 25 -16.060 23.358 28.485 1.00 0.00 O ATOM 324 CB GLN A 25 -18.468 21.332 28.373 1.00 0.00 C ATOM 325 CG GLN A 25 -19.496 20.403 27.748 1.00 0.00 C ATOM 326 CD GLN A 25 -20.879 21.021 27.683 1.00 0.00 C ATOM 327 OE1 GLN A 25 -21.023 22.236 27.546 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.906 20.185 27.781 1.00 0.00 N ATOM 0 H GLN A 25 -17.024 19.348 27.783 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.342 22.019 26.676 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.242 20.984 29.381 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.901 22.328 28.469 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.174 20.136 26.741 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.542 19.479 28.324 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.740 19.185 27.894 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.860 20.543 27.744 1.00 0.00 H new ATOM 337 N PHE A 26 -15.230 21.340 29.034 1.00 0.00 N ATOM 338 CA PHE A 26 -14.161 21.883 29.863 1.00 0.00 C ATOM 339 C PHE A 26 -12.801 21.666 29.208 1.00 0.00 C ATOM 340 O PHE A 26 -11.845 21.248 29.861 1.00 0.00 O ATOM 341 CB PHE A 26 -14.182 21.234 31.249 1.00 0.00 C ATOM 342 CG PHE A 26 -15.484 21.414 31.975 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.537 20.539 31.763 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.655 22.457 32.871 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.737 20.702 32.430 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.852 22.625 33.542 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.894 21.746 33.321 1.00 0.00 C ATOM 0 H PHE A 26 -15.247 20.321 28.982 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.326 22.955 29.969 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.977 20.168 31.146 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.378 21.656 31.851 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.419 19.720 31.069 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.843 23.147 33.047 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.551 20.014 32.255 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.972 23.442 34.238 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.830 21.875 33.844 1.00 0.00 H new ATOM 357 N TRP A 27 -12.722 21.954 27.914 1.00 0.00 N ATOM 358 CA TRP A 27 -11.479 21.790 27.169 1.00 0.00 C ATOM 359 C TRP A 27 -10.736 23.116 27.050 1.00 0.00 C ATOM 360 O TRP A 27 -11.327 24.185 27.209 1.00 0.00 O ATOM 361 CB TRP A 27 -11.765 21.225 25.777 1.00 0.00 C ATOM 362 CG TRP A 27 -11.905 19.732 25.759 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.929 18.898 26.840 1.00 0.00 C ATOM 364 CD2 TRP A 27 -12.038 18.898 24.603 1.00 0.00 C ATOM 365 NE1 TRP A 27 -12.069 17.596 26.426 1.00 0.00 N ATOM 366 CE2 TRP A 27 -12.139 17.569 25.058 1.00 0.00 C ATOM 367 CE3 TRP A 27 -12.084 19.145 23.228 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.282 16.493 24.186 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.225 18.075 22.364 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.324 16.763 22.845 1.00 0.00 C ATOM 0 H TRP A 27 -13.504 22.302 27.359 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.848 21.089 27.715 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.681 21.673 25.392 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.960 21.515 25.102 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.850 19.216 27.869 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -12.114 16.781 27.038 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -12.011 20.153 22.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.357 15.481 24.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.259 18.254 21.299 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.436 15.949 22.144 1.00 0.00 H new ATOM 381 N SER A 28 -9.439 23.041 26.769 1.00 0.00 N ATOM 382 CA SER A 28 -8.616 24.236 26.632 1.00 0.00 C ATOM 383 C SER A 28 -8.262 24.488 25.169 1.00 0.00 C ATOM 384 O SER A 28 -8.398 23.603 24.324 1.00 0.00 O ATOM 385 CB SER A 28 -7.338 24.099 27.462 1.00 0.00 C ATOM 386 OG SER A 28 -7.470 24.749 28.713 1.00 0.00 O ATOM 0 H SER A 28 -8.936 22.165 26.632 1.00 0.00 H new ATOM 0 HA SER A 28 -9.190 25.086 27.000 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.114 23.044 27.619 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.498 24.525 26.914 1.00 0.00 H new ATOM 0 HG SER A 28 -6.641 24.645 29.225 1.00 0.00 H new ATOM 392 N LYS A 29 -7.807 25.701 24.878 1.00 0.00 N ATOM 393 CA LYS A 29 -7.431 26.072 23.518 1.00 0.00 C ATOM 394 C LYS A 29 -6.420 25.084 22.945 1.00 0.00 C ATOM 395 O LYS A 29 -6.352 24.883 21.732 1.00 0.00 O ATOM 396 CB LYS A 29 -6.847 27.486 23.496 1.00 0.00 C ATOM 397 CG LYS A 29 -7.901 28.580 23.497 1.00 0.00 C ATOM 398 CD LYS A 29 -7.449 29.789 24.299 1.00 0.00 C ATOM 399 CE LYS A 29 -8.590 30.771 24.516 1.00 0.00 C ATOM 400 NZ LYS A 29 -8.934 30.912 25.958 1.00 0.00 N ATOM 0 H LYS A 29 -7.689 26.445 25.566 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.328 26.047 22.900 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.200 27.616 24.363 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.221 27.598 22.611 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.115 28.882 22.472 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.830 28.191 23.915 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.060 29.463 25.263 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.632 30.288 23.778 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.313 31.745 24.112 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.468 30.435 23.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.716 31.590 26.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.223 29.988 26.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.104 31.257 26.481 1.00 0.00 H new ATOM 414 N THR A 30 -5.636 24.468 23.825 1.00 0.00 N ATOM 415 CA THR A 30 -4.630 23.501 23.406 1.00 0.00 C ATOM 416 C THR A 30 -5.242 22.118 23.215 1.00 0.00 C ATOM 417 O THR A 30 -4.968 21.440 22.225 1.00 0.00 O ATOM 418 CB THR A 30 -3.483 23.405 24.430 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.176 24.705 24.945 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.241 22.798 23.796 1.00 0.00 C ATOM 0 H THR A 30 -5.679 24.622 24.832 1.00 0.00 H new ATOM 0 HA THR A 30 -4.230 23.853 22.455 1.00 0.00 H new ATOM 0 HB THR A 30 -3.807 22.759 25.246 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.447 24.635 25.596 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.445 22.740 24.538 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.471 21.797 23.432 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.916 23.421 22.963 1.00 0.00 H new ATOM 428 N GLN A 31 -6.072 21.706 24.167 1.00 0.00 N ATOM 429 CA GLN A 31 -6.723 20.403 24.102 1.00 0.00 C ATOM 430 C GLN A 31 -7.470 20.233 22.783 1.00 0.00 C ATOM 431 O GLN A 31 -7.367 19.195 22.129 1.00 0.00 O ATOM 432 CB GLN A 31 -7.690 20.233 25.275 1.00 0.00 C ATOM 433 CG GLN A 31 -7.025 20.361 26.636 1.00 0.00 C ATOM 434 CD GLN A 31 -8.010 20.236 27.781 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.989 21.030 28.722 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.881 19.237 27.707 1.00 0.00 N ATOM 0 H GLN A 31 -6.310 22.256 24.993 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.951 19.636 24.163 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.480 20.979 25.195 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.166 19.255 25.203 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.259 19.592 26.735 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.520 21.325 26.700 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.863 18.602 26.909 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.569 19.104 28.448 1.00 0.00 H new ATOM 445 N VAL A 32 -8.222 21.259 22.398 1.00 0.00 N ATOM 446 CA VAL A 32 -8.986 21.224 21.156 1.00 0.00 C ATOM 447 C VAL A 32 -8.097 20.853 19.975 1.00 0.00 C ATOM 448 O VAL A 32 -8.257 19.791 19.372 1.00 0.00 O ATOM 449 CB VAL A 32 -9.659 22.579 20.873 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.426 22.531 19.560 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.578 22.968 22.022 1.00 0.00 C ATOM 0 H VAL A 32 -8.319 22.125 22.928 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.757 20.463 21.279 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.882 23.339 20.785 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.895 23.498 19.377 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.739 22.301 18.746 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.194 21.760 19.615 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.045 23.929 21.805 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.350 22.208 22.144 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.998 23.046 22.941 1.00 0.00 H new ATOM 461 N LEU A 33 -7.159 21.735 19.648 1.00 0.00 N ATOM 462 CA LEU A 33 -6.242 21.502 18.537 1.00 0.00 C ATOM 463 C LEU A 33 -5.513 20.172 18.704 1.00 0.00 C ATOM 464 O LEU A 33 -5.147 19.526 17.721 1.00 0.00 O ATOM 465 CB LEU A 33 -5.228 22.643 18.438 1.00 0.00 C ATOM 466 CG LEU A 33 -5.797 24.016 18.080 1.00 0.00 C ATOM 467 CD1 LEU A 33 -4.894 25.121 18.607 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.976 24.143 16.574 1.00 0.00 C ATOM 0 H LEU A 33 -7.013 22.619 20.136 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.826 21.463 17.618 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.708 22.725 19.393 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.481 22.375 17.691 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.775 24.118 18.551 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.314 26.091 18.343 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.817 25.042 19.691 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.903 25.023 18.165 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.382 25.127 16.338 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.011 24.020 16.081 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.663 23.373 16.223 1.00 0.00 H new ATOM 480 N ASP A 34 -5.308 19.768 19.952 1.00 0.00 N ATOM 481 CA ASP A 34 -4.626 18.513 20.247 1.00 0.00 C ATOM 482 C ASP A 34 -5.516 17.319 19.914 1.00 0.00 C ATOM 483 O ASP A 34 -5.024 16.236 19.597 1.00 0.00 O ATOM 484 CB ASP A 34 -4.217 18.464 21.720 1.00 0.00 C ATOM 485 CG ASP A 34 -2.855 19.085 21.964 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.529 20.082 21.287 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.116 18.572 22.830 1.00 0.00 O ATOM 0 H ASP A 34 -5.604 20.291 20.776 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.731 18.460 19.627 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.963 18.986 22.319 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.206 17.427 22.057 1.00 0.00 H new ATOM 492 N TRP A 35 -6.826 17.525 19.989 1.00 0.00 N ATOM 493 CA TRP A 35 -7.784 16.465 19.696 1.00 0.00 C ATOM 494 C TRP A 35 -7.991 16.319 18.193 1.00 0.00 C ATOM 495 O TRP A 35 -8.257 15.224 17.697 1.00 0.00 O ATOM 496 CB TRP A 35 -9.120 16.754 20.382 1.00 0.00 C ATOM 497 CG TRP A 35 -10.212 15.812 19.975 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.400 14.534 20.417 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.266 16.075 19.041 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.507 13.986 19.815 1.00 0.00 N ATOM 501 CE2 TRP A 35 -12.057 14.911 18.967 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.620 17.180 18.263 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.177 14.824 18.145 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.732 17.091 17.447 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.500 15.921 17.394 1.00 0.00 C ATOM 0 H TRP A 35 -7.249 18.416 20.250 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.381 15.528 20.081 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.985 16.698 21.462 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.426 17.775 20.151 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.771 14.028 21.134 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.862 13.043 19.974 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.035 18.087 18.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.770 13.922 18.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.014 17.938 16.840 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.364 15.884 16.747 1.00 0.00 H new ATOM 516 N ILE A 36 -7.868 17.429 17.472 1.00 0.00 N ATOM 517 CA ILE A 36 -8.040 17.422 16.025 1.00 0.00 C ATOM 518 C ILE A 36 -7.013 16.518 15.353 1.00 0.00 C ATOM 519 O ILE A 36 -7.364 15.646 14.558 1.00 0.00 O ATOM 520 CB ILE A 36 -7.921 18.841 15.437 1.00 0.00 C ATOM 521 CG1 ILE A 36 -8.963 19.767 16.069 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.086 18.804 13.925 1.00 0.00 C ATOM 523 CD1 ILE A 36 -8.899 21.188 15.554 1.00 0.00 C ATOM 0 H ILE A 36 -7.650 18.344 17.867 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.041 17.039 15.829 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.929 19.231 15.665 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.958 19.365 15.879 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.823 19.774 17.150 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.999 19.814 13.525 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.311 18.173 13.490 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.066 18.398 13.676 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.665 21.788 16.045 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.916 21.609 15.768 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.069 21.193 14.477 1.00 0.00 H new ATOM 535 N SER A 37 -5.742 16.731 15.678 1.00 0.00 N ATOM 536 CA SER A 37 -4.662 15.936 15.105 1.00 0.00 C ATOM 537 C SER A 37 -4.946 14.445 15.255 1.00 0.00 C ATOM 538 O SER A 37 -4.611 13.646 14.380 1.00 0.00 O ATOM 539 CB SER A 37 -3.332 16.284 15.776 1.00 0.00 C ATOM 540 OG SER A 37 -2.313 15.379 15.389 1.00 0.00 O ATOM 0 H SER A 37 -5.435 17.448 16.335 1.00 0.00 H new ATOM 0 HA SER A 37 -4.596 16.170 14.042 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.041 17.300 15.509 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.451 16.261 16.859 1.00 0.00 H new ATOM 0 HG SER A 37 -1.473 15.624 15.830 1.00 0.00 H new ATOM 546 N TYR A 38 -5.567 14.077 16.371 1.00 0.00 N ATOM 547 CA TYR A 38 -5.894 12.682 16.639 1.00 0.00 C ATOM 548 C TYR A 38 -6.860 12.138 15.590 1.00 0.00 C ATOM 549 O TYR A 38 -6.670 11.040 15.067 1.00 0.00 O ATOM 550 CB TYR A 38 -6.505 12.538 18.034 1.00 0.00 C ATOM 551 CG TYR A 38 -7.640 11.541 18.098 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.407 10.182 17.930 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.946 11.959 18.325 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.441 9.267 17.987 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.986 11.051 18.385 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.728 9.707 18.216 1.00 0.00 C ATOM 557 OH TYR A 38 -10.761 8.800 18.273 1.00 0.00 O ATOM 0 H TYR A 38 -5.854 14.726 17.104 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.971 12.104 16.592 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.726 12.234 18.733 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.868 13.511 18.365 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.400 9.834 17.752 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.151 13.011 18.457 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.243 8.214 17.853 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.995 11.392 18.563 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.610 9.278 18.379 1.00 0.00 H new ATOM 567 N GLN A 39 -7.895 12.915 15.288 1.00 0.00 N ATOM 568 CA GLN A 39 -8.890 12.512 14.302 1.00 0.00 C ATOM 569 C GLN A 39 -8.360 12.702 12.885 1.00 0.00 C ATOM 570 O GLN A 39 -8.826 12.057 11.945 1.00 0.00 O ATOM 571 CB GLN A 39 -10.178 13.316 14.489 1.00 0.00 C ATOM 572 CG GLN A 39 -11.214 12.612 15.351 1.00 0.00 C ATOM 573 CD GLN A 39 -12.360 12.042 14.538 1.00 0.00 C ATOM 574 OE1 GLN A 39 -13.007 12.755 13.771 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.617 10.750 14.702 1.00 0.00 N ATOM 0 H GLN A 39 -8.066 13.827 15.712 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.105 11.454 14.451 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.934 14.277 14.941 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.612 13.524 13.511 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.732 11.807 15.907 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.609 13.315 16.085 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.055 10.196 15.349 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.376 10.311 14.181 1.00 0.00 H new ATOM 584 N VAL A 40 -7.384 13.592 12.737 1.00 0.00 N ATOM 585 CA VAL A 40 -6.789 13.866 11.434 1.00 0.00 C ATOM 586 C VAL A 40 -5.812 12.766 11.034 1.00 0.00 C ATOM 587 O VAL A 40 -5.596 12.517 9.848 1.00 0.00 O ATOM 588 CB VAL A 40 -6.054 15.219 11.426 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.394 15.460 10.078 1.00 0.00 C ATOM 590 CG2 VAL A 40 -7.014 16.349 11.769 1.00 0.00 C ATOM 0 H VAL A 40 -6.988 14.136 13.504 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.606 13.901 10.714 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.273 15.193 12.186 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.880 16.421 10.091 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.675 14.666 9.878 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.154 15.466 9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.478 17.298 11.759 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.818 16.379 11.034 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.435 16.181 12.760 1.00 0.00 H new ATOM 600 N GLU A 41 -5.225 12.112 12.031 1.00 0.00 N ATOM 601 CA GLU A 41 -4.270 11.039 11.781 1.00 0.00 C ATOM 602 C GLU A 41 -4.978 9.689 11.696 1.00 0.00 C ATOM 603 O GLU A 41 -4.487 8.757 11.060 1.00 0.00 O ATOM 604 CB GLU A 41 -3.210 11.002 12.885 1.00 0.00 C ATOM 605 CG GLU A 41 -2.152 9.932 12.677 1.00 0.00 C ATOM 606 CD GLU A 41 -1.674 9.856 11.240 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.320 10.913 10.676 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.653 8.740 10.679 1.00 0.00 O ATOM 0 H GLU A 41 -5.394 12.306 13.018 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.783 11.236 10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.724 11.976 12.943 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.701 10.834 13.843 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.302 10.135 13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.556 8.964 12.973 1.00 0.00 H new ATOM 615 N LYS A 42 -6.135 9.593 12.342 1.00 0.00 N ATOM 616 CA LYS A 42 -6.912 8.360 12.340 1.00 0.00 C ATOM 617 C LYS A 42 -7.674 8.199 11.028 1.00 0.00 C ATOM 618 O LYS A 42 -7.723 7.110 10.458 1.00 0.00 O ATOM 619 CB LYS A 42 -7.892 8.348 13.516 1.00 0.00 C ATOM 620 CG LYS A 42 -7.763 7.123 14.404 1.00 0.00 C ATOM 621 CD LYS A 42 -6.740 7.339 15.507 1.00 0.00 C ATOM 622 CE LYS A 42 -5.571 6.375 15.380 1.00 0.00 C ATOM 623 NZ LYS A 42 -4.810 6.255 16.655 1.00 0.00 N ATOM 0 H LYS A 42 -6.555 10.355 12.874 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.220 7.524 12.443 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.733 9.242 14.119 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.910 8.401 13.130 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.732 6.889 14.846 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.472 6.264 13.800 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.373 8.365 15.468 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.217 7.208 16.478 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.940 5.393 15.084 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.903 6.716 14.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.021 5.589 16.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.436 7.187 16.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.441 5.905 17.404 1.00 0.00 H new ATOM 637 N ASN A 43 -8.265 9.291 10.555 1.00 0.00 N ATOM 638 CA ASN A 43 -9.023 9.270 9.309 1.00 0.00 C ATOM 639 C ASN A 43 -8.092 9.357 8.104 1.00 0.00 C ATOM 640 O ASN A 43 -8.538 9.324 6.957 1.00 0.00 O ATOM 641 CB ASN A 43 -10.024 10.427 9.278 1.00 0.00 C ATOM 642 CG ASN A 43 -11.330 10.080 9.967 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.392 10.077 9.344 1.00 0.00 O ATOM 644 ND2 ASN A 43 -11.257 9.785 11.259 1.00 0.00 N ATOM 0 H ASN A 43 -8.234 10.201 11.015 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.566 8.326 9.259 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.582 11.299 9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.225 10.703 8.243 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.103 9.543 11.776 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.355 9.800 11.735 1.00 0.00 H new ATOM 651 N LYS A 44 -6.795 9.467 8.372 1.00 0.00 N ATOM 652 CA LYS A 44 -5.799 9.556 7.311 1.00 0.00 C ATOM 653 C LYS A 44 -6.000 10.820 6.481 1.00 0.00 C ATOM 654 O LYS A 44 -5.540 10.906 5.342 1.00 0.00 O ATOM 655 CB LYS A 44 -5.874 8.323 6.408 1.00 0.00 C ATOM 656 CG LYS A 44 -4.682 7.392 6.549 1.00 0.00 C ATOM 657 CD LYS A 44 -5.084 5.939 6.364 1.00 0.00 C ATOM 658 CE LYS A 44 -4.398 5.319 5.157 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.929 3.962 4.852 1.00 0.00 N ATOM 0 H LYS A 44 -6.409 9.497 9.316 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.814 9.600 7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.785 7.770 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.950 8.647 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.923 7.657 5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.231 7.523 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.828 5.373 7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.165 5.872 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.535 5.965 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.326 5.256 5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.435 3.574 4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.776 3.338 5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.947 4.025 4.650 1.00 0.00 H new ATOM 673 N TYR A 45 -6.687 11.799 7.059 1.00 0.00 N ATOM 674 CA TYR A 45 -6.949 13.058 6.372 1.00 0.00 C ATOM 675 C TYR A 45 -5.645 13.772 6.028 1.00 0.00 C ATOM 676 O TYR A 45 -4.753 13.899 6.867 1.00 0.00 O ATOM 677 CB TYR A 45 -7.826 13.963 7.239 1.00 0.00 C ATOM 678 CG TYR A 45 -8.500 15.074 6.465 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.370 14.789 5.420 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.267 16.407 6.779 1.00 0.00 C ATOM 681 CE1 TYR A 45 -9.988 15.800 4.710 1.00 0.00 C ATOM 682 CE2 TYR A 45 -8.882 17.424 6.075 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.741 17.116 5.042 1.00 0.00 C ATOM 684 OH TYR A 45 -10.354 18.127 4.337 1.00 0.00 O ATOM 0 H TYR A 45 -7.073 11.745 8.002 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.475 12.834 5.444 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.589 13.356 7.727 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.214 14.400 8.028 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.566 13.760 5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.594 16.652 7.587 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.661 15.562 3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.691 18.455 6.333 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.728 17.766 3.506 1.00 0.00 H new ATOM 694 N ASP A 46 -5.544 14.238 4.788 1.00 0.00 N ATOM 695 CA ASP A 46 -4.351 14.942 4.331 1.00 0.00 C ATOM 696 C ASP A 46 -4.007 16.094 5.270 1.00 0.00 C ATOM 697 O ASP A 46 -2.842 16.467 5.410 1.00 0.00 O ATOM 698 CB ASP A 46 -4.557 15.470 2.910 1.00 0.00 C ATOM 699 CG ASP A 46 -3.430 15.073 1.976 1.00 0.00 C ATOM 700 OD1 ASP A 46 -3.004 13.900 2.025 1.00 0.00 O ATOM 701 OD2 ASP A 46 -2.976 15.935 1.196 1.00 0.00 O ATOM 0 H ASP A 46 -6.273 14.141 4.082 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.520 14.236 4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.501 15.091 2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.637 16.557 2.937 1.00 0.00 H new ATOM 706 N ALA A 47 -5.028 16.654 5.910 1.00 0.00 N ATOM 707 CA ALA A 47 -4.833 17.763 6.836 1.00 0.00 C ATOM 708 C ALA A 47 -4.289 18.991 6.115 1.00 0.00 C ATOM 709 O ALA A 47 -3.639 19.842 6.723 1.00 0.00 O ATOM 710 CB ALA A 47 -3.896 17.351 7.962 1.00 0.00 C ATOM 0 H ALA A 47 -5.998 16.358 5.804 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.802 18.024 7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.759 18.188 8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.325 16.507 8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.931 17.062 7.545 1.00 0.00 H new ATOM 716 N SER A 48 -4.559 19.077 4.817 1.00 0.00 N ATOM 717 CA SER A 48 -4.093 20.200 4.012 1.00 0.00 C ATOM 718 C SER A 48 -5.256 21.105 3.616 1.00 0.00 C ATOM 719 O SER A 48 -5.222 21.757 2.573 1.00 0.00 O ATOM 720 CB SER A 48 -3.376 19.694 2.759 1.00 0.00 C ATOM 721 OG SER A 48 -2.640 18.515 3.033 1.00 0.00 O ATOM 0 H SER A 48 -5.098 18.382 4.300 1.00 0.00 H new ATOM 0 HA SER A 48 -3.393 20.780 4.613 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.106 19.497 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.705 20.466 2.384 1.00 0.00 H new ATOM 0 HG SER A 48 -2.867 17.827 2.373 1.00 0.00 H new ATOM 727 N ALA A 49 -6.284 21.139 4.458 1.00 0.00 N ATOM 728 CA ALA A 49 -7.457 21.964 4.198 1.00 0.00 C ATOM 729 C ALA A 49 -7.922 22.672 5.466 1.00 0.00 C ATOM 730 O ALA A 49 -8.289 23.847 5.433 1.00 0.00 O ATOM 731 CB ALA A 49 -8.581 21.117 3.622 1.00 0.00 C ATOM 0 H ALA A 49 -6.328 20.605 5.326 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.181 22.725 3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.451 21.746 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.252 20.662 2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.847 20.334 4.332 1.00 0.00 H new ATOM 737 N ILE A 50 -7.903 21.950 6.582 1.00 0.00 N ATOM 738 CA ILE A 50 -8.323 22.510 7.860 1.00 0.00 C ATOM 739 C ILE A 50 -7.571 23.801 8.168 1.00 0.00 C ATOM 740 O ILE A 50 -6.389 23.934 7.850 1.00 0.00 O ATOM 741 CB ILE A 50 -8.100 21.513 9.012 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.870 20.216 8.749 1.00 0.00 C ATOM 743 CG2 ILE A 50 -8.527 22.128 10.336 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.546 19.111 9.730 1.00 0.00 C ATOM 0 H ILE A 50 -7.601 20.977 6.626 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.389 22.723 7.776 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.037 21.279 9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.939 20.424 8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.649 19.870 7.739 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.363 21.411 11.140 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.940 23.026 10.526 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.585 22.388 10.292 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.128 18.223 9.483 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.483 18.876 9.675 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.793 19.437 10.740 1.00 0.00 H new ATOM 756 N ASP A 51 -8.263 24.748 8.792 1.00 0.00 N ATOM 757 CA ASP A 51 -7.660 26.028 9.146 1.00 0.00 C ATOM 758 C ASP A 51 -7.360 26.092 10.640 1.00 0.00 C ATOM 759 O ASP A 51 -8.271 26.077 11.469 1.00 0.00 O ATOM 760 CB ASP A 51 -8.586 27.179 8.750 1.00 0.00 C ATOM 761 CG ASP A 51 -8.228 27.771 7.401 1.00 0.00 C ATOM 762 OD1 ASP A 51 -7.925 26.993 6.473 1.00 0.00 O ATOM 763 OD2 ASP A 51 -8.251 29.014 7.274 1.00 0.00 O ATOM 0 H ASP A 51 -9.242 24.654 9.063 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.721 26.123 8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.615 26.821 8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.538 27.959 9.510 1.00 0.00 H new ATOM 768 N PHE A 52 -6.077 26.161 10.978 1.00 0.00 N ATOM 769 CA PHE A 52 -5.656 26.225 12.373 1.00 0.00 C ATOM 770 C PHE A 52 -5.521 27.673 12.835 1.00 0.00 C ATOM 771 O PHE A 52 -4.538 28.042 13.477 1.00 0.00 O ATOM 772 CB PHE A 52 -4.325 25.493 12.560 1.00 0.00 C ATOM 773 CG PHE A 52 -4.402 24.024 12.257 1.00 0.00 C ATOM 774 CD1 PHE A 52 -4.804 23.122 13.229 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.072 23.545 10.999 1.00 0.00 C ATOM 776 CE1 PHE A 52 -4.876 21.769 12.953 1.00 0.00 C ATOM 777 CE2 PHE A 52 -4.142 22.193 10.717 1.00 0.00 C ATOM 778 CZ PHE A 52 -4.543 21.305 11.695 1.00 0.00 C ATOM 0 H PHE A 52 -5.310 26.174 10.305 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.420 25.738 12.979 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.574 25.950 11.915 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.987 25.627 13.588 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.064 23.480 14.214 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.757 24.235 10.231 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.192 21.076 13.719 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.883 21.832 9.733 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.596 20.249 11.477 1.00 0.00 H new ATOM 788 N SER A 53 -6.516 28.489 12.502 1.00 0.00 N ATOM 789 CA SER A 53 -6.508 29.898 12.878 1.00 0.00 C ATOM 790 C SER A 53 -7.892 30.345 13.339 1.00 0.00 C ATOM 791 O SER A 53 -8.025 31.075 14.321 1.00 0.00 O ATOM 792 CB SER A 53 -6.048 30.759 11.700 1.00 0.00 C ATOM 793 OG SER A 53 -4.676 31.094 11.819 1.00 0.00 O ATOM 0 H SER A 53 -7.338 28.199 11.973 1.00 0.00 H new ATOM 0 HA SER A 53 -5.810 30.024 13.706 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.215 30.222 10.766 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.646 31.670 11.656 1.00 0.00 H new ATOM 0 HG SER A 53 -4.406 31.643 11.053 1.00 0.00 H new ATOM 799 N ARG A 54 -8.920 29.901 12.623 1.00 0.00 N ATOM 800 CA ARG A 54 -10.294 30.256 12.957 1.00 0.00 C ATOM 801 C ARG A 54 -10.773 29.481 14.181 1.00 0.00 C ATOM 802 O ARG A 54 -11.667 29.929 14.901 1.00 0.00 O ATOM 803 CB ARG A 54 -11.218 29.978 11.770 1.00 0.00 C ATOM 804 CG ARG A 54 -10.897 30.811 10.540 1.00 0.00 C ATOM 805 CD ARG A 54 -12.080 31.674 10.128 1.00 0.00 C ATOM 806 NE ARG A 54 -11.657 32.882 9.425 1.00 0.00 N ATOM 807 CZ ARG A 54 -12.498 33.704 8.806 1.00 0.00 C ATOM 808 NH1 ARG A 54 -13.799 33.449 8.804 1.00 0.00 N ATOM 809 NH2 ARG A 54 -12.037 34.783 8.187 1.00 0.00 N ATOM 0 H ARG A 54 -8.827 29.295 11.808 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.322 31.321 13.189 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.153 28.921 11.510 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.248 30.170 12.070 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.035 31.446 10.744 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.620 30.154 9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.745 31.095 9.487 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.652 31.951 11.013 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.662 33.107 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.157 32.620 9.278 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.442 34.082 8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.037 34.982 8.186 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.683 35.414 7.712 1.00 0.00 H new ATOM 823 N CYS A 55 -10.174 28.318 14.410 1.00 0.00 N ATOM 824 CA CYS A 55 -10.541 27.480 15.547 1.00 0.00 C ATOM 825 C CYS A 55 -10.009 28.068 16.850 1.00 0.00 C ATOM 826 O CYS A 55 -9.025 27.580 17.406 1.00 0.00 O ATOM 827 CB CYS A 55 -10.002 26.061 15.356 1.00 0.00 C ATOM 828 SG CYS A 55 -10.538 24.891 16.625 1.00 0.00 S ATOM 0 H CYS A 55 -9.433 27.934 13.824 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.629 27.443 15.604 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.318 25.692 14.380 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.913 26.096 15.346 1.00 0.00 H new ATOM 0 HG CYS A 55 -11.080 23.854 16.058 1.00 0.00 H new ATOM 834 N ASP A 56 -10.665 29.118 17.330 1.00 0.00 N ATOM 835 CA ASP A 56 -10.259 29.773 18.568 1.00 0.00 C ATOM 836 C ASP A 56 -11.064 29.246 19.751 1.00 0.00 C ATOM 837 O ASP A 56 -10.987 29.785 20.855 1.00 0.00 O ATOM 838 CB ASP A 56 -10.434 31.288 18.449 1.00 0.00 C ATOM 839 CG ASP A 56 -9.143 32.042 18.700 1.00 0.00 C ATOM 840 OD1 ASP A 56 -8.168 31.815 17.953 1.00 0.00 O ATOM 841 OD2 ASP A 56 -9.107 32.859 19.643 1.00 0.00 O ATOM 0 H ASP A 56 -11.481 29.534 16.881 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.206 29.549 18.741 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.805 31.531 17.453 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.190 31.620 19.161 1.00 0.00 H new ATOM 846 N MET A 57 -11.836 28.192 19.513 1.00 0.00 N ATOM 847 CA MET A 57 -12.655 27.592 20.560 1.00 0.00 C ATOM 848 C MET A 57 -11.784 26.890 21.596 1.00 0.00 C ATOM 849 O MET A 57 -10.970 26.031 21.257 1.00 0.00 O ATOM 850 CB MET A 57 -13.649 26.599 19.954 1.00 0.00 C ATOM 851 CG MET A 57 -14.566 27.217 18.910 1.00 0.00 C ATOM 852 SD MET A 57 -14.034 26.865 17.224 1.00 0.00 S ATOM 853 CE MET A 57 -15.108 25.493 16.810 1.00 0.00 C ATOM 0 H MET A 57 -11.912 27.735 18.604 1.00 0.00 H new ATOM 0 HA MET A 57 -13.207 28.390 21.057 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.097 25.776 19.499 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.256 26.172 20.752 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.579 26.841 19.053 1.00 0.00 H new ATOM 0 HG3 MET A 57 -14.603 28.296 19.057 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.513 24.588 16.692 1.00 0.00 H new ATOM 0 HE2 MET A 57 -15.836 25.347 17.608 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.630 25.708 15.878 1.00 0.00 H new ATOM 863 N ASP A 58 -11.961 27.260 22.860 1.00 0.00 N ATOM 864 CA ASP A 58 -11.191 26.664 23.946 1.00 0.00 C ATOM 865 C ASP A 58 -11.759 25.301 24.330 1.00 0.00 C ATOM 866 O ASP A 58 -11.015 24.344 24.536 1.00 0.00 O ATOM 867 CB ASP A 58 -11.185 27.590 25.163 1.00 0.00 C ATOM 868 CG ASP A 58 -12.583 27.891 25.668 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.088 27.119 26.510 1.00 0.00 O ATOM 870 OD2 ASP A 58 -13.172 28.897 25.221 1.00 0.00 O ATOM 0 H ASP A 58 -12.631 27.970 23.158 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.167 26.526 23.600 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.604 27.131 25.963 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.687 28.524 24.903 1.00 0.00 H new ATOM 875 N GLY A 59 -13.082 25.223 24.426 1.00 0.00 N ATOM 876 CA GLY A 59 -13.727 23.974 24.786 1.00 0.00 C ATOM 877 C GLY A 59 -15.240 24.069 24.747 1.00 0.00 C ATOM 878 O GLY A 59 -15.899 23.298 24.052 1.00 0.00 O ATOM 0 H GLY A 59 -13.719 26.002 24.261 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.398 23.189 24.105 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.410 23.681 25.787 1.00 0.00 H new ATOM 882 N ALA A 60 -15.790 25.018 25.497 1.00 0.00 N ATOM 883 CA ALA A 60 -17.234 25.212 25.545 1.00 0.00 C ATOM 884 C ALA A 60 -17.760 25.750 24.219 1.00 0.00 C ATOM 885 O ALA A 60 -18.914 25.520 23.856 1.00 0.00 O ATOM 886 CB ALA A 60 -17.603 26.153 26.682 1.00 0.00 C ATOM 0 H ALA A 60 -15.258 25.664 26.080 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.700 24.243 25.724 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.684 26.289 26.706 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.270 25.728 27.629 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.120 27.118 26.527 1.00 0.00 H new ATOM 892 N THR A 61 -16.907 26.471 23.497 1.00 0.00 N ATOM 893 CA THR A 61 -17.286 27.043 22.212 1.00 0.00 C ATOM 894 C THR A 61 -17.319 25.977 21.123 1.00 0.00 C ATOM 895 O THR A 61 -18.035 26.111 20.130 1.00 0.00 O ATOM 896 CB THR A 61 -16.317 28.163 21.789 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.187 29.124 22.843 1.00 0.00 O ATOM 898 CG2 THR A 61 -16.807 28.854 20.525 1.00 0.00 C ATOM 0 H THR A 61 -15.948 26.672 23.782 1.00 0.00 H new ATOM 0 HA THR A 61 -18.284 27.463 22.335 1.00 0.00 H new ATOM 0 HB THR A 61 -15.345 27.713 21.586 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.568 29.831 22.566 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.107 29.641 20.246 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.877 28.127 19.716 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.789 29.290 20.706 1.00 0.00 H new ATOM 906 N LEU A 62 -16.541 24.918 21.315 1.00 0.00 N ATOM 907 CA LEU A 62 -16.482 23.826 20.349 1.00 0.00 C ATOM 908 C LEU A 62 -17.736 22.962 20.427 1.00 0.00 C ATOM 909 O LEU A 62 -18.371 22.679 19.410 1.00 0.00 O ATOM 910 CB LEU A 62 -15.240 22.967 20.596 1.00 0.00 C ATOM 911 CG LEU A 62 -15.015 21.816 19.615 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.611 22.350 18.249 1.00 0.00 C ATOM 913 CD2 LEU A 62 -13.960 20.859 20.149 1.00 0.00 C ATOM 0 H LEU A 62 -15.942 24.792 22.131 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.424 24.259 19.351 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.364 23.615 20.572 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.303 22.553 21.602 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.951 21.269 19.506 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.455 21.517 17.564 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.400 22.995 17.862 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.688 22.922 18.340 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.813 20.046 19.438 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.021 21.394 20.288 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.290 20.450 21.104 1.00 0.00 H new ATOM 925 N CYS A 63 -18.088 22.548 21.639 1.00 0.00 N ATOM 926 CA CYS A 63 -19.268 21.716 21.849 1.00 0.00 C ATOM 927 C CYS A 63 -20.543 22.493 21.538 1.00 0.00 C ATOM 928 O CYS A 63 -21.567 21.909 21.187 1.00 0.00 O ATOM 929 CB CYS A 63 -19.307 21.205 23.290 1.00 0.00 C ATOM 930 SG CYS A 63 -19.517 22.506 24.529 1.00 0.00 S ATOM 0 H CYS A 63 -17.574 22.774 22.490 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.208 20.865 21.171 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -20.123 20.489 23.388 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.383 20.666 23.498 1.00 0.00 H new ATOM 0 HG CYS A 63 -19.224 23.658 24.003 1.00 0.00 H new ATOM 936 N ASN A 64 -20.473 23.813 21.671 1.00 0.00 N ATOM 937 CA ASN A 64 -21.623 24.671 21.406 1.00 0.00 C ATOM 938 C ASN A 64 -21.751 24.963 19.914 1.00 0.00 C ATOM 939 O ASN A 64 -22.845 25.232 19.415 1.00 0.00 O ATOM 940 CB ASN A 64 -21.498 25.981 22.185 1.00 0.00 C ATOM 941 CG ASN A 64 -22.123 25.896 23.564 1.00 0.00 C ATOM 942 OD1 ASN A 64 -23.194 25.315 23.737 1.00 0.00 O ATOM 943 ND2 ASN A 64 -21.454 26.476 24.553 1.00 0.00 N ATOM 0 H ASN A 64 -19.632 24.313 21.961 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.520 24.146 21.734 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.445 26.244 22.282 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -21.976 26.783 21.621 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -21.825 26.451 25.503 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -20.569 26.947 24.363 1.00 0.00 H new ATOM 950 N CYS A 65 -20.628 24.907 19.207 1.00 0.00 N ATOM 951 CA CYS A 65 -20.614 25.166 17.772 1.00 0.00 C ATOM 952 C CYS A 65 -21.653 24.310 17.055 1.00 0.00 C ATOM 953 O CYS A 65 -22.222 23.387 17.638 1.00 0.00 O ATOM 954 CB CYS A 65 -19.224 24.890 17.196 1.00 0.00 C ATOM 955 SG CYS A 65 -18.384 26.359 16.559 1.00 0.00 S ATOM 0 H CYS A 65 -19.715 24.685 19.604 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.863 26.216 17.615 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.605 24.438 17.971 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.314 24.159 16.393 1.00 0.00 H new ATOM 0 HG CYS A 65 -17.836 27.007 17.544 1.00 0.00 H new ATOM 961 N ALA A 66 -21.898 24.624 15.787 1.00 0.00 N ATOM 962 CA ALA A 66 -22.869 23.884 14.990 1.00 0.00 C ATOM 963 C ALA A 66 -22.174 22.909 14.044 1.00 0.00 C ATOM 964 O ALA A 66 -20.997 23.075 13.721 1.00 0.00 O ATOM 965 CB ALA A 66 -23.751 24.844 14.207 1.00 0.00 C ATOM 0 H ALA A 66 -21.437 25.386 15.290 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.495 23.306 15.670 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.471 24.277 13.617 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.283 25.496 14.899 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.132 25.447 13.543 1.00 0.00 H new ATOM 971 N LEU A 67 -22.909 21.894 13.605 1.00 0.00 N ATOM 972 CA LEU A 67 -22.363 20.892 12.696 1.00 0.00 C ATOM 973 C LEU A 67 -21.715 21.552 11.484 1.00 0.00 C ATOM 974 O LEU A 67 -20.518 21.393 11.245 1.00 0.00 O ATOM 975 CB LEU A 67 -23.465 19.934 12.240 1.00 0.00 C ATOM 976 CG LEU A 67 -23.149 19.083 11.010 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.828 18.352 11.192 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.275 18.095 10.740 1.00 0.00 C ATOM 0 H LEU A 67 -23.884 21.743 13.863 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.599 20.329 13.232 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.703 19.266 13.068 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.362 20.517 12.033 1.00 0.00 H new ATOM 0 HG LEU A 67 -23.059 19.744 10.148 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.620 17.751 10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -21.027 19.078 11.335 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.889 17.702 12.065 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -24.032 17.498 9.861 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.398 17.439 11.602 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.203 18.640 10.564 1.00 0.00 H new ATOM 990 N GLU A 68 -22.513 22.294 10.723 1.00 0.00 N ATOM 991 CA GLU A 68 -22.015 22.980 9.536 1.00 0.00 C ATOM 992 C GLU A 68 -20.779 23.812 9.866 1.00 0.00 C ATOM 993 O GLU A 68 -19.837 23.882 9.078 1.00 0.00 O ATOM 994 CB GLU A 68 -23.103 23.877 8.943 1.00 0.00 C ATOM 995 CG GLU A 68 -23.725 24.828 9.952 1.00 0.00 C ATOM 996 CD GLU A 68 -24.901 25.596 9.382 1.00 0.00 C ATOM 997 OE1 GLU A 68 -25.625 25.032 8.535 1.00 0.00 O ATOM 998 OE2 GLU A 68 -25.098 26.762 9.783 1.00 0.00 O ATOM 0 H GLU A 68 -23.506 22.436 10.907 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.737 22.224 8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -22.677 24.457 8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -23.886 23.250 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -24.054 24.262 10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -22.968 25.533 10.296 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.792 24.441 11.037 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.674 25.270 11.472 1.00 0.00 C ATOM 1007 C GLU A 69 -18.373 24.472 11.472 1.00 0.00 C ATOM 1008 O GLU A 69 -17.393 24.860 10.834 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.940 25.833 12.869 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.217 27.327 12.881 1.00 0.00 C ATOM 1011 CD GLU A 69 -19.398 28.064 13.922 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -18.156 28.086 13.792 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -19.997 28.619 14.866 1.00 0.00 O ATOM 0 H GLU A 69 -21.564 24.392 11.701 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.573 26.097 10.769 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.791 25.311 13.306 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -19.079 25.627 13.505 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -20.002 27.740 11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.277 27.495 13.073 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.372 23.355 12.191 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.192 22.501 12.275 1.00 0.00 C ATOM 1022 C LEU A 70 -16.747 22.048 10.888 1.00 0.00 C ATOM 1023 O LEU A 70 -15.574 21.747 10.669 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.482 21.283 13.154 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.094 21.574 14.524 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.438 20.278 15.242 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -17.144 22.415 15.365 1.00 0.00 C ATOM 0 H LEU A 70 -19.174 23.020 12.724 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.385 23.081 12.723 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.156 20.620 12.611 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.550 20.738 13.303 1.00 0.00 H new ATOM 0 HG LEU A 70 -19.014 22.139 14.376 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.872 20.506 16.215 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.155 19.712 14.648 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.533 19.686 15.378 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.596 22.612 16.337 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.207 21.876 15.504 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.948 23.359 14.857 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.692 22.003 9.955 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.398 21.588 8.589 1.00 0.00 C ATOM 1041 C ARG A 71 -16.759 22.727 7.800 1.00 0.00 C ATOM 1042 O ARG A 71 -16.083 22.499 6.796 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.675 21.122 7.888 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.342 19.934 8.563 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.764 19.735 8.063 1.00 0.00 C ATOM 1046 NE ARG A 71 -20.993 18.371 7.594 1.00 0.00 N ATOM 1047 CZ ARG A 71 -22.141 17.957 7.069 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -23.158 18.798 6.946 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -22.272 16.700 6.665 1.00 0.00 N ATOM 0 H ARG A 71 -18.668 22.249 10.120 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.692 20.758 8.633 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.382 21.951 7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.438 20.858 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.759 19.032 8.374 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.353 20.086 9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.466 19.965 8.865 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.965 20.436 7.252 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.230 17.699 7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.060 19.765 7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -24.038 18.478 6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.491 16.051 6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -23.154 16.383 6.262 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.979 23.954 8.260 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.425 25.130 7.597 1.00 0.00 C ATOM 1065 C LEU A 72 -15.080 25.514 8.204 1.00 0.00 C ATOM 1066 O LEU A 72 -14.314 26.274 7.611 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.399 26.305 7.703 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.263 26.573 6.470 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.732 26.654 6.856 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -17.820 27.853 5.776 1.00 0.00 C ATOM 0 H LEU A 72 -17.537 24.160 9.089 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.272 24.886 6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.058 26.129 8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.827 27.206 7.924 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.136 25.744 5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.332 26.845 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.042 25.711 7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.876 27.464 7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.446 28.028 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.917 28.692 6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.780 27.757 5.465 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.797 24.982 9.389 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.542 25.266 10.075 1.00 0.00 C ATOM 1084 C VAL A 73 -12.554 24.117 9.912 1.00 0.00 C ATOM 1085 O VAL A 73 -11.340 24.320 9.930 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.769 25.524 11.576 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.446 25.788 12.279 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.730 26.686 11.778 1.00 0.00 C ATOM 0 H VAL A 73 -15.420 24.352 9.894 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.128 26.165 9.618 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.215 24.632 12.016 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.627 25.968 13.339 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.794 24.922 12.164 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.968 26.663 11.839 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.879 26.854 12.845 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.314 27.585 11.324 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.687 26.452 11.311 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.082 22.908 9.752 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.247 21.724 9.586 1.00 0.00 C ATOM 1100 C PHE A 74 -12.549 21.027 8.263 1.00 0.00 C ATOM 1101 O PHE A 74 -12.304 19.831 8.109 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.464 20.753 10.748 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.567 21.432 12.084 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.517 22.194 12.572 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.713 21.308 12.852 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.609 22.818 13.801 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.811 21.931 14.083 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.758 22.688 14.557 1.00 0.00 C ATOM 0 H PHE A 74 -14.085 22.722 9.734 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.205 22.043 9.579 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.375 20.181 10.568 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.640 20.040 10.774 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.617 22.301 11.985 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.540 20.718 12.485 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.783 23.407 14.171 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.710 21.826 14.673 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.832 23.177 15.517 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.084 21.784 7.309 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.412 21.222 6.012 1.00 0.00 C ATOM 1120 C GLY A 75 -14.415 20.090 6.107 1.00 0.00 C ATOM 1121 O GLY A 75 -15.260 20.054 7.002 1.00 0.00 O ATOM 0 H GLY A 75 -13.296 22.776 7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.814 22.006 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.501 20.857 5.537 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.330 19.138 5.166 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.231 17.983 5.126 1.00 0.00 C ATOM 1127 C PRO A 76 -14.977 17.009 6.272 1.00 0.00 C ATOM 1128 O PRO A 76 -15.726 16.050 6.462 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.904 17.325 3.783 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.503 17.738 3.490 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.348 19.117 4.069 1.00 0.00 C ATOM 0 HA PRO A 76 -16.275 18.277 5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.993 16.240 3.842 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.587 17.659 3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.790 17.045 3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.314 17.742 2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.335 19.289 4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.556 19.890 3.329 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.918 17.262 7.032 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.566 16.408 8.161 1.00 0.00 C ATOM 1141 C LEU A 77 -14.507 16.644 9.338 1.00 0.00 C ATOM 1142 O LEU A 77 -14.700 15.766 10.178 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.120 16.666 8.590 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.580 15.769 9.704 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.798 14.304 9.363 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.103 16.049 9.945 1.00 0.00 C ATOM 0 H LEU A 77 -13.288 18.051 6.887 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.665 15.370 7.843 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.478 16.553 7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.038 17.703 8.914 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.126 15.992 10.621 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.407 13.681 10.168 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.864 14.113 9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.279 14.065 8.435 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.735 15.402 10.741 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.542 15.855 9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.973 17.091 10.236 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.092 17.837 9.391 1.00 0.00 N ATOM 1159 CA GLY A 78 -16.008 18.167 10.467 1.00 0.00 C ATOM 1160 C GLY A 78 -17.099 17.128 10.639 1.00 0.00 C ATOM 1161 O GLY A 78 -17.452 16.769 11.762 1.00 0.00 O ATOM 0 H GLY A 78 -14.948 18.581 8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.450 18.261 11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.463 19.137 10.268 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.635 16.646 9.523 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.693 15.643 9.555 1.00 0.00 C ATOM 1167 C ASP A 79 -18.291 14.456 10.425 1.00 0.00 C ATOM 1168 O ASP A 79 -19.140 13.802 11.029 1.00 0.00 O ATOM 1169 CB ASP A 79 -19.016 15.166 8.138 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.274 14.321 8.084 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -21.033 14.322 9.076 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -20.499 13.659 7.050 1.00 0.00 O ATOM 0 H ASP A 79 -17.354 16.933 8.585 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.582 16.102 9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -19.134 16.031 7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.176 14.588 7.752 1.00 0.00 H new ATOM 1177 N GLN A 80 -16.991 14.185 10.482 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.477 13.075 11.276 1.00 0.00 C ATOM 1179 C GLN A 80 -16.173 13.522 12.702 1.00 0.00 C ATOM 1180 O GLN A 80 -16.340 12.756 13.653 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.216 12.499 10.630 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.477 11.794 9.309 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.605 10.784 9.399 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.568 9.867 10.221 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.615 10.947 8.553 1.00 0.00 N ATOM 0 H GLN A 80 -16.275 14.718 9.988 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.244 12.301 11.312 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.501 13.305 10.467 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.752 11.796 11.322 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.718 12.535 8.547 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.567 11.289 8.985 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.604 11.721 7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.402 10.298 8.567 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.725 14.764 12.845 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.397 15.314 14.156 1.00 0.00 C ATOM 1196 C LEU A 81 -16.655 15.498 14.999 1.00 0.00 C ATOM 1197 O LEU A 81 -16.634 15.303 16.215 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.671 16.651 14.003 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.337 16.609 13.257 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.817 18.018 13.013 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.317 15.789 14.033 1.00 0.00 C ATOM 0 H LEU A 81 -15.580 15.410 12.069 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.741 14.608 14.665 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.333 17.344 13.484 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.496 17.062 14.997 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.498 16.131 12.291 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.867 17.968 12.481 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.539 18.574 12.415 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.672 18.523 13.968 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.374 15.770 13.487 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.160 16.238 15.014 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.686 14.771 14.155 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.750 15.874 14.346 1.00 0.00 N ATOM 1214 CA HIS A 82 -19.018 16.082 15.035 1.00 0.00 C ATOM 1215 C HIS A 82 -19.522 14.780 15.650 1.00 0.00 C ATOM 1216 O HIS A 82 -19.910 14.743 16.818 1.00 0.00 O ATOM 1217 CB HIS A 82 -20.062 16.641 14.068 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.375 16.951 14.719 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.437 16.071 14.729 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.795 18.052 15.386 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.453 16.618 15.372 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -23.089 17.820 15.781 1.00 0.00 N ATOM 0 H HIS A 82 -17.784 16.041 13.340 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.854 16.802 15.837 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.670 17.548 13.608 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.224 15.921 13.266 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.219 18.946 15.573 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.417 16.160 15.535 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.674 18.470 16.305 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.514 13.714 14.856 1.00 0.00 N ATOM 1231 CA ALA A 83 -19.969 12.410 15.323 1.00 0.00 C ATOM 1232 C ALA A 83 -19.274 12.019 16.623 1.00 0.00 C ATOM 1233 O ALA A 83 -19.885 11.424 17.509 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.728 11.354 14.255 1.00 0.00 C ATOM 0 H ALA A 83 -19.197 13.728 13.886 1.00 0.00 H new ATOM 0 HA ALA A 83 -21.039 12.475 15.519 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -20.072 10.385 14.617 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.276 11.619 13.351 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.663 11.300 14.031 1.00 0.00 H new ATOM 1240 N GLN A 84 -17.993 12.358 16.728 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.215 12.040 17.920 1.00 0.00 C ATOM 1242 C GLN A 84 -17.637 12.916 19.095 1.00 0.00 C ATOM 1243 O GLN A 84 -17.972 12.413 20.169 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.721 12.223 17.644 1.00 0.00 C ATOM 1245 CG GLN A 84 -15.069 11.011 16.998 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.104 10.303 17.928 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -13.291 10.939 18.599 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -14.190 8.979 17.974 1.00 0.00 N ATOM 0 H GLN A 84 -17.472 12.852 16.003 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.405 10.998 18.179 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.583 13.088 16.996 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.211 12.443 18.582 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.843 10.311 16.683 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.538 11.325 16.099 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -14.879 8.492 17.400 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.567 8.448 18.583 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.619 14.227 18.886 1.00 0.00 N ATOM 1258 CA LEU A 85 -18.000 15.174 19.929 1.00 0.00 C ATOM 1259 C LEU A 85 -19.394 14.861 20.465 1.00 0.00 C ATOM 1260 O LEU A 85 -19.701 15.140 21.624 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.959 16.604 19.387 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.585 17.273 19.365 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.593 18.479 18.439 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.168 17.681 20.771 1.00 0.00 C ATOM 0 H LEU A 85 -17.345 14.659 18.004 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.286 15.082 20.748 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.354 16.598 18.371 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.631 17.218 19.987 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.858 16.554 18.986 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.606 18.942 18.436 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.847 18.160 17.428 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.332 19.201 18.788 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.187 18.156 20.736 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.897 18.382 21.177 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.121 16.797 21.407 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.233 14.279 19.614 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.593 13.927 20.003 1.00 0.00 C ATOM 1278 C ARG A 86 -21.590 12.814 21.046 1.00 0.00 C ATOM 1279 O ARG A 86 -22.464 12.758 21.912 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.399 13.490 18.778 1.00 0.00 C ATOM 1281 CG ARG A 86 -23.031 14.647 18.021 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.320 14.224 17.333 1.00 0.00 C ATOM 1283 NE ARG A 86 -25.440 15.091 17.690 1.00 0.00 N ATOM 1284 CZ ARG A 86 -26.114 14.990 18.830 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -25.782 14.065 19.720 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -27.121 15.816 19.082 1.00 0.00 N ATOM 0 H ARG A 86 -19.995 14.041 18.651 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.059 14.810 20.441 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.746 12.938 18.102 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.183 12.803 19.096 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -23.237 15.465 18.711 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.328 15.025 17.279 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.177 14.242 16.253 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.556 13.195 17.606 1.00 0.00 H new ATOM 0 HE ARG A 86 -25.720 15.814 17.027 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -25.008 13.429 19.530 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -26.301 13.989 20.595 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -27.378 16.529 18.400 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -27.638 15.738 19.958 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.602 11.930 20.958 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.485 10.818 21.895 1.00 0.00 C ATOM 1302 C ASP A 87 -19.767 11.254 23.168 1.00 0.00 C ATOM 1303 O ASP A 87 -20.028 10.730 24.251 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.736 9.653 21.245 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.609 8.425 21.078 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.269 8.305 20.025 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -20.633 7.584 22.002 1.00 0.00 O ATOM 0 H ASP A 87 -19.871 11.962 20.248 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.490 10.491 22.161 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.362 9.964 20.270 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.868 9.398 21.853 1.00 0.00 H new ATOM 1312 N LEU A 88 -18.860 12.216 23.030 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.103 12.722 24.170 1.00 0.00 C ATOM 1314 C LEU A 88 -19.015 13.455 25.148 1.00 0.00 C ATOM 1315 O LEU A 88 -19.017 13.170 26.346 1.00 0.00 O ATOM 1316 CB LEU A 88 -16.991 13.657 23.692 1.00 0.00 C ATOM 1317 CG LEU A 88 -15.766 12.983 23.073 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -14.923 13.998 22.317 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -14.937 12.294 24.147 1.00 0.00 C ATOM 0 H LEU A 88 -18.631 12.661 22.141 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.658 11.872 24.687 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.412 14.344 22.958 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.661 14.258 24.539 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.109 12.228 22.366 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.056 13.500 21.883 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.519 14.446 21.522 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.589 14.777 23.003 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.069 11.820 23.688 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.604 13.031 24.878 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.543 11.537 24.645 1.00 0.00 H new ATOM 1331 N THR A 89 -19.793 14.400 24.629 1.00 0.00 N ATOM 1332 CA THR A 89 -20.711 15.174 25.455 1.00 0.00 C ATOM 1333 C THR A 89 -21.697 14.265 26.180 1.00 0.00 C ATOM 1334 O THR A 89 -22.182 14.597 27.261 1.00 0.00 O ATOM 1335 CB THR A 89 -21.497 16.198 24.615 1.00 0.00 C ATOM 1336 OG1 THR A 89 -22.035 15.565 23.449 1.00 0.00 O ATOM 1337 CG2 THR A 89 -20.603 17.358 24.202 1.00 0.00 C ATOM 0 H THR A 89 -19.805 14.648 23.640 1.00 0.00 H new ATOM 0 HA THR A 89 -20.104 15.706 26.188 1.00 0.00 H new ATOM 0 HB THR A 89 -22.312 16.587 25.225 1.00 0.00 H new ATOM 0 HG1 THR A 89 -21.344 15.514 22.756 1.00 0.00 H new ATOM 0 HG21 THR A 89 -21.179 18.069 23.610 1.00 0.00 H new ATOM 0 HG22 THR A 89 -20.218 17.856 25.092 1.00 0.00 H new ATOM 0 HG23 THR A 89 -19.770 16.982 23.608 1.00 0.00 H new ATOM 1345 N SER A 90 -21.988 13.116 25.578 1.00 0.00 N ATOM 1346 CA SER A 90 -22.920 12.160 26.165 1.00 0.00 C ATOM 1347 C SER A 90 -22.189 11.180 27.079 1.00 0.00 C ATOM 1348 O SER A 90 -21.648 10.174 26.621 1.00 0.00 O ATOM 1349 CB SER A 90 -23.659 11.395 25.066 1.00 0.00 C ATOM 1350 OG SER A 90 -22.762 10.611 24.298 1.00 0.00 O ATOM 0 H SER A 90 -21.592 12.825 24.684 1.00 0.00 H new ATOM 0 HA SER A 90 -23.644 12.715 26.761 1.00 0.00 H new ATOM 0 HB2 SER A 90 -24.417 10.752 25.513 1.00 0.00 H new ATOM 0 HB3 SER A 90 -24.180 12.098 24.416 1.00 0.00 H new ATOM 0 HG SER A 90 -21.908 10.533 24.772 1.00 0.00 H new ATOM 1356 N SER A 91 -22.177 11.483 28.373 1.00 0.00 N ATOM 1357 CA SER A 91 -21.510 10.633 29.351 1.00 0.00 C ATOM 1358 C SER A 91 -20.017 10.529 29.053 1.00 0.00 C ATOM 1359 O SER A 91 -19.599 9.774 28.176 1.00 0.00 O ATOM 1360 CB SER A 91 -22.138 9.238 29.358 1.00 0.00 C ATOM 1361 OG SER A 91 -23.516 9.297 29.033 1.00 0.00 O ATOM 0 H SER A 91 -22.622 12.311 28.768 1.00 0.00 H new ATOM 0 HA SER A 91 -21.636 11.086 30.334 1.00 0.00 H new ATOM 0 HB2 SER A 91 -21.620 8.599 28.643 1.00 0.00 H new ATOM 0 HB3 SER A 91 -22.012 8.784 30.341 1.00 0.00 H new ATOM 0 HG SER A 91 -23.893 8.393 29.043 1.00 0.00 H new ATOM 1367 N SER A 92 -19.219 11.295 29.789 1.00 0.00 N ATOM 1368 CA SER A 92 -17.772 11.294 29.602 1.00 0.00 C ATOM 1369 C SER A 92 -17.215 9.876 29.685 1.00 0.00 C ATOM 1370 O SER A 92 -16.134 9.592 29.173 1.00 0.00 O ATOM 1371 CB SER A 92 -17.100 12.181 30.652 1.00 0.00 C ATOM 1372 OG SER A 92 -17.884 12.262 31.829 1.00 0.00 O ATOM 0 H SER A 92 -19.549 11.924 30.521 1.00 0.00 H new ATOM 0 HA SER A 92 -17.558 11.692 28.610 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.115 11.781 30.894 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.947 13.180 30.244 1.00 0.00 H new ATOM 0 HG SER A 92 -17.432 12.833 32.485 1.00 0.00 H new TER 1378 SER A 92