USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 782 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 89 GLN : amide:sc= -0.172 K(o=-0.11,f=-1.1) USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0.0416 USER MOD Set 1.3: A 96 THR OG1 : rot 91:sc= 0.0216 USER MOD Set 2.1: A 39 THR OG1 : rot 79:sc= -1.83! USER MOD Set 2.2: A 69 THR OG1 : rot 105:sc= 0.736 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -2.66! USER MOD Single : A 8 THR OG1 : rot 79:sc= -0.0436 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -8.72! C(o=-8.7!,f=-20!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=-0.006) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.2!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 95:sc= -11.2! USER MOD Single : A 36 THR OG1 : rot -50:sc= -2.65 USER MOD Single : A 41 ASN : amide:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 43 THR OG1 : rot -55:sc= -0.269! USER MOD Single : A 49 GLN : amide:sc= -3.14! C(o=-3.1!,f=-2.7!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 169:sc= -3.18! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.614 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 62:sc= -0.705! USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 68 SER OG : rot 180:sc= -1.84! USER MOD Single : A 70 GLN : amide:sc= -0.061 K(o=-0.061,f=-1.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.000969 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00596 K(o=-0.006,f=-1.9!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-1.9!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 86 TYR OH : rot 39:sc= -0.255! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 92 TYR OH : rot 164:sc= -3.13! USER MOD Single : A 93 GLN : amide:sc= -2.46! C(o=-2.5!,f=-3.1!) USER MOD Single : A 95 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.11) USER MOD Single : A 100 SER OG : rot 130:sc= -2.05! USER MOD Single : A 101 THR OG1 : rot 150:sc= -0.294 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.12) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.038 29.276 -3.884 1.00 0.00 N ATOM 2 CA SER A 1 1.193 28.402 -2.733 1.00 0.00 C ATOM 3 C SER A 1 0.765 26.978 -3.096 1.00 0.00 C ATOM 4 O SER A 1 -0.346 26.764 -3.575 1.00 0.00 O ATOM 5 CB SER A 1 0.381 28.913 -1.542 1.00 0.00 C ATOM 6 OG SER A 1 1.212 29.505 -0.545 1.00 0.00 O ATOM 0 H1 SER A 1 1.331 30.241 -3.629 1.00 0.00 H new ATOM 0 H2 SER A 1 1.630 28.929 -4.665 1.00 0.00 H new ATOM 0 H3 SER A 1 0.042 29.284 -4.182 1.00 0.00 H new ATOM 0 HA SER A 1 2.245 28.396 -2.446 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.349 29.645 -1.888 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.179 28.087 -1.104 1.00 0.00 H new ATOM 0 HG SER A 1 0.657 29.821 0.198 1.00 0.00 H new ATOM 13 N ARG A 2 1.670 26.042 -2.850 1.00 0.00 N ATOM 14 CA ARG A 2 1.400 24.645 -3.144 1.00 0.00 C ATOM 15 C ARG A 2 2.454 23.751 -2.484 1.00 0.00 C ATOM 16 O ARG A 2 3.382 23.288 -3.142 1.00 0.00 O ATOM 17 CB ARG A 2 1.400 24.389 -4.653 1.00 0.00 C ATOM 18 CG ARG A 2 2.666 24.952 -5.305 1.00 0.00 C ATOM 19 CD ARG A 2 2.462 25.158 -6.807 1.00 0.00 C ATOM 20 NE ARG A 2 2.972 26.488 -7.209 1.00 0.00 N ATOM 21 CZ ARG A 2 2.862 26.997 -8.454 1.00 0.00 C ATOM 22 NH1 ARG A 2 2.256 26.290 -9.431 1.00 0.00 N ATOM 23 NH2 ARG A 2 3.357 28.195 -8.702 1.00 0.00 N ATOM 0 H ARG A 2 2.591 26.224 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 2 0.413 24.407 -2.746 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.334 23.318 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.520 24.848 -5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.930 25.900 -4.837 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.500 24.270 -5.137 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.981 24.377 -7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.403 25.076 -7.053 1.00 0.00 H new ATOM 0 HE ARG A 2 3.436 27.056 -6.500 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.877 25.364 -9.231 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.177 26.681 -10.370 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.814 28.722 -7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.282 28.594 -9.638 1.00 0.00 H new ATOM 37 N ASP A 3 2.270 23.534 -1.187 1.00 0.00 N ATOM 38 CA ASP A 3 3.190 22.704 -0.432 1.00 0.00 C ATOM 39 C ASP A 3 2.862 21.230 -0.678 1.00 0.00 C ATOM 40 O ASP A 3 1.820 20.910 -1.246 1.00 0.00 O ATOM 41 CB ASP A 3 3.067 22.972 1.071 1.00 0.00 C ATOM 42 CG ASP A 3 4.371 22.848 1.860 1.00 0.00 C ATOM 43 OD1 ASP A 3 5.403 22.415 1.324 1.00 0.00 O ATOM 44 OD2 ASP A 3 4.303 23.229 3.090 1.00 0.00 O ATOM 0 H ASP A 3 1.498 23.919 -0.643 1.00 0.00 H new ATOM 0 HA ASP A 3 4.203 22.940 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.668 23.976 1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.339 22.277 1.490 1.00 0.00 H new ATOM 50 N PHE A 4 3.771 20.375 -0.235 1.00 0.00 N ATOM 51 CA PHE A 4 3.592 18.941 -0.402 1.00 0.00 C ATOM 52 C PHE A 4 3.442 18.573 -1.880 1.00 0.00 C ATOM 53 O PHE A 4 3.540 19.438 -2.750 1.00 0.00 O ATOM 54 CB PHE A 4 2.307 18.564 0.338 1.00 0.00 C ATOM 55 CG PHE A 4 2.535 18.046 1.760 1.00 0.00 C ATOM 56 CD1 PHE A 4 2.806 16.730 1.969 1.00 0.00 C ATOM 57 CD2 PHE A 4 2.469 18.902 2.813 1.00 0.00 C ATOM 58 CE1 PHE A 4 3.018 16.250 3.288 1.00 0.00 C ATOM 59 CE2 PHE A 4 2.682 18.423 4.132 1.00 0.00 C ATOM 60 CZ PHE A 4 2.951 17.106 4.341 1.00 0.00 C ATOM 0 H PHE A 4 4.633 20.646 0.239 1.00 0.00 H new ATOM 0 HA PHE A 4 4.460 18.410 -0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.655 19.437 0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.781 17.801 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.860 16.050 1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.254 19.947 2.646 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.232 15.205 3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.631 19.104 4.969 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.111 16.741 5.345 1.00 0.00 H new ATOM 70 N THR A 5 3.209 17.292 -2.117 1.00 0.00 N ATOM 71 CA THR A 5 3.045 16.801 -3.476 1.00 0.00 C ATOM 72 C THR A 5 1.973 15.709 -3.521 1.00 0.00 C ATOM 73 O THR A 5 1.538 15.217 -2.482 1.00 0.00 O ATOM 74 CB THR A 5 4.412 16.331 -3.975 1.00 0.00 C ATOM 75 OG1 THR A 5 4.502 16.865 -5.292 1.00 0.00 O ATOM 76 CG2 THR A 5 4.470 14.815 -4.183 1.00 0.00 C ATOM 0 H THR A 5 3.130 16.578 -1.393 1.00 0.00 H new ATOM 0 HA THR A 5 2.692 17.588 -4.143 1.00 0.00 H new ATOM 0 HB THR A 5 5.181 16.629 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.360 16.610 -5.691 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.462 14.534 -4.538 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.266 14.310 -3.239 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.724 14.520 -4.921 1.00 0.00 H new ATOM 84 N PRO A 6 1.567 15.357 -4.769 1.00 0.00 N ATOM 85 CA PRO A 6 0.554 14.332 -4.967 1.00 0.00 C ATOM 86 C PRO A 6 1.130 12.937 -4.720 1.00 0.00 C ATOM 87 O PRO A 6 2.049 12.508 -5.417 1.00 0.00 O ATOM 88 CB PRO A 6 0.065 14.532 -6.392 1.00 0.00 C ATOM 89 CG PRO A 6 1.141 15.347 -7.092 1.00 0.00 C ATOM 90 CD PRO A 6 2.060 15.917 -6.024 1.00 0.00 C ATOM 0 HA PRO A 6 -0.273 14.416 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.086 13.575 -6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.892 15.054 -6.407 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.703 14.722 -7.786 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.692 16.149 -7.678 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.097 15.634 -6.203 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.024 17.006 -6.012 1.00 0.00 H new ATOM 98 N PRO A 7 0.551 12.247 -3.702 1.00 0.00 N ATOM 99 CA PRO A 7 0.996 10.909 -3.355 1.00 0.00 C ATOM 100 C PRO A 7 0.499 9.885 -4.376 1.00 0.00 C ATOM 101 O PRO A 7 -0.541 10.081 -5.002 1.00 0.00 O ATOM 102 CB PRO A 7 0.456 10.664 -1.955 1.00 0.00 C ATOM 103 CG PRO A 7 -0.657 11.680 -1.755 1.00 0.00 C ATOM 104 CD PRO A 7 -0.540 12.723 -2.856 1.00 0.00 C ATOM 0 HA PRO A 7 2.081 10.809 -3.371 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.079 9.646 -1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.239 10.789 -1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.631 11.192 -1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.574 12.149 -0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.469 12.810 -3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.322 13.709 -2.446 1.00 0.00 H new ATOM 112 N THR A 8 1.267 8.813 -4.513 1.00 0.00 N ATOM 113 CA THR A 8 0.918 7.757 -5.449 1.00 0.00 C ATOM 114 C THR A 8 1.404 6.402 -4.928 1.00 0.00 C ATOM 115 O THR A 8 2.560 6.264 -4.531 1.00 0.00 O ATOM 116 CB THR A 8 1.495 8.126 -6.815 1.00 0.00 C ATOM 117 OG1 THR A 8 2.157 9.367 -6.589 1.00 0.00 O ATOM 118 CG2 THR A 8 0.410 8.463 -7.838 1.00 0.00 C ATOM 0 H THR A 8 2.129 8.653 -3.992 1.00 0.00 H new ATOM 0 HA THR A 8 -0.163 7.661 -5.553 1.00 0.00 H new ATOM 0 HB THR A 8 2.100 7.300 -7.188 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.023 9.203 -6.161 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.875 8.718 -8.791 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.244 7.601 -7.972 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.175 9.311 -7.482 1.00 0.00 H new ATOM 126 N VAL A 9 0.496 5.438 -4.946 1.00 0.00 N ATOM 127 CA VAL A 9 0.818 4.099 -4.482 1.00 0.00 C ATOM 128 C VAL A 9 0.398 3.079 -5.545 1.00 0.00 C ATOM 129 O VAL A 9 -0.602 3.274 -6.234 1.00 0.00 O ATOM 130 CB VAL A 9 0.165 3.847 -3.121 1.00 0.00 C ATOM 131 CG1 VAL A 9 -1.302 3.445 -3.282 1.00 0.00 C ATOM 132 CG2 VAL A 9 0.940 2.789 -2.329 1.00 0.00 C ATOM 0 H VAL A 9 -0.462 5.557 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 9 1.893 3.993 -4.338 1.00 0.00 H new ATOM 0 HB VAL A 9 0.196 4.779 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.742 3.272 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.845 4.244 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.366 2.532 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.456 2.628 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.954 1.854 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.962 3.131 -2.168 1.00 0.00 H new ATOM 142 N LYS A 10 1.181 2.017 -5.642 1.00 0.00 N ATOM 143 CA LYS A 10 0.903 0.969 -6.607 1.00 0.00 C ATOM 144 C LYS A 10 1.037 -0.395 -5.926 1.00 0.00 C ATOM 145 O LYS A 10 1.564 -0.491 -4.819 1.00 0.00 O ATOM 146 CB LYS A 10 1.795 1.127 -7.841 1.00 0.00 C ATOM 147 CG LYS A 10 0.967 1.516 -9.068 1.00 0.00 C ATOM 148 CD LYS A 10 1.479 2.820 -9.684 1.00 0.00 C ATOM 149 CE LYS A 10 2.267 2.547 -10.967 1.00 0.00 C ATOM 150 NZ LYS A 10 2.880 3.796 -11.472 1.00 0.00 N ATOM 0 H LYS A 10 2.009 1.859 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.122 1.048 -6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.552 1.888 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.323 0.193 -8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.011 0.718 -9.809 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.079 1.630 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.638 3.478 -9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.114 3.341 -8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.043 1.806 -10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.606 2.127 -11.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.411 3.594 -12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.134 4.492 -11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.526 4.181 -10.754 1.00 0.00 H new ATOM 164 N ILE A 11 0.548 -1.415 -6.615 1.00 0.00 N ATOM 165 CA ILE A 11 0.605 -2.769 -6.090 1.00 0.00 C ATOM 166 C ILE A 11 1.185 -3.703 -7.155 1.00 0.00 C ATOM 167 O ILE A 11 0.632 -3.821 -8.248 1.00 0.00 O ATOM 168 CB ILE A 11 -0.769 -3.203 -5.576 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.635 -4.135 -4.369 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.599 -3.833 -6.697 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.665 -4.936 -4.439 1.00 0.00 C ATOM 0 H ILE A 11 0.110 -1.331 -7.533 1.00 0.00 H new ATOM 0 HA ILE A 11 1.272 -2.814 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.303 -2.315 -5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.657 -3.551 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.485 -4.816 -4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.571 -4.133 -6.305 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.739 -3.107 -7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.079 -4.708 -7.087 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.736 -5.590 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.673 -5.537 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.514 -4.252 -4.449 1.00 0.00 H new ATOM 183 N LEU A 12 2.291 -4.336 -6.801 1.00 0.00 N ATOM 184 CA LEU A 12 2.953 -5.253 -7.713 1.00 0.00 C ATOM 185 C LEU A 12 3.076 -6.628 -7.048 1.00 0.00 C ATOM 186 O LEU A 12 3.548 -6.735 -5.918 1.00 0.00 O ATOM 187 CB LEU A 12 4.291 -4.676 -8.179 1.00 0.00 C ATOM 188 CG LEU A 12 4.255 -3.237 -8.700 1.00 0.00 C ATOM 189 CD1 LEU A 12 5.670 -2.678 -8.865 1.00 0.00 C ATOM 190 CD2 LEU A 12 3.445 -3.142 -9.996 1.00 0.00 C ATOM 0 H LEU A 12 2.747 -4.233 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 12 2.357 -5.385 -8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.994 -4.723 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.686 -5.317 -8.967 1.00 0.00 H new ATOM 0 HG LEU A 12 3.749 -2.618 -7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.616 -1.655 -9.236 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.180 -2.688 -7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.224 -3.293 -9.575 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.436 -2.109 -10.344 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.899 -3.777 -10.756 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.423 -3.472 -9.811 1.00 0.00 H new ATOM 202 N GLN A 13 2.642 -7.644 -7.781 1.00 0.00 N ATOM 203 CA GLN A 13 2.697 -9.005 -7.277 1.00 0.00 C ATOM 204 C GLN A 13 3.802 -9.789 -7.986 1.00 0.00 C ATOM 205 O GLN A 13 4.001 -9.639 -9.190 1.00 0.00 O ATOM 206 CB GLN A 13 1.344 -9.703 -7.433 1.00 0.00 C ATOM 207 CG GLN A 13 0.259 -8.707 -7.851 1.00 0.00 C ATOM 208 CD GLN A 13 0.032 -7.655 -6.766 1.00 0.00 C ATOM 209 OE1 GLN A 13 0.862 -7.429 -5.900 1.00 0.00 O ATOM 210 NE2 GLN A 13 -1.137 -7.028 -6.857 1.00 0.00 N ATOM 0 H GLN A 13 2.251 -7.551 -8.719 1.00 0.00 H new ATOM 0 HA GLN A 13 2.929 -8.968 -6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.423 -10.495 -8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.065 -10.177 -6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.548 -8.218 -8.781 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.672 -9.239 -8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.786 -7.266 -7.607 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.385 -6.309 -6.177 1.00 0.00 H new ATOM 219 N SER A 14 4.496 -10.609 -7.208 1.00 0.00 N ATOM 220 CA SER A 14 5.575 -11.418 -7.747 1.00 0.00 C ATOM 221 C SER A 14 5.461 -12.854 -7.234 1.00 0.00 C ATOM 222 O SER A 14 6.216 -13.265 -6.355 1.00 0.00 O ATOM 223 CB SER A 14 6.939 -10.829 -7.379 1.00 0.00 C ATOM 224 OG SER A 14 7.769 -10.650 -8.521 1.00 0.00 O ATOM 0 H SER A 14 4.331 -10.730 -6.209 1.00 0.00 H new ATOM 0 HA SER A 14 5.491 -11.421 -8.834 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.797 -9.870 -6.880 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.438 -11.487 -6.668 1.00 0.00 H new ATOM 0 HG SER A 14 8.629 -10.271 -8.244 1.00 0.00 H new ATOM 230 N SER A 15 4.508 -13.578 -7.806 1.00 0.00 N ATOM 231 CA SER A 15 4.285 -14.960 -7.417 1.00 0.00 C ATOM 232 C SER A 15 4.668 -15.894 -8.567 1.00 0.00 C ATOM 233 O SER A 15 5.268 -16.944 -8.343 1.00 0.00 O ATOM 234 CB SER A 15 2.828 -15.189 -7.010 1.00 0.00 C ATOM 235 OG SER A 15 1.917 -14.704 -7.992 1.00 0.00 O ATOM 0 H SER A 15 3.883 -13.233 -8.535 1.00 0.00 H new ATOM 0 HA SER A 15 4.914 -15.179 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.659 -16.254 -6.853 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.635 -14.692 -6.059 1.00 0.00 H new ATOM 0 HG SER A 15 0.998 -14.870 -7.696 1.00 0.00 H new ATOM 241 N SER A 16 4.305 -15.480 -9.771 1.00 0.00 N ATOM 242 CA SER A 16 4.603 -16.268 -10.955 1.00 0.00 C ATOM 243 C SER A 16 6.005 -15.931 -11.469 1.00 0.00 C ATOM 244 O SER A 16 6.184 -15.644 -12.650 1.00 0.00 O ATOM 245 CB SER A 16 3.566 -16.025 -12.053 1.00 0.00 C ATOM 246 OG SER A 16 3.119 -17.244 -12.642 1.00 0.00 O ATOM 0 H SER A 16 3.807 -14.609 -9.953 1.00 0.00 H new ATOM 0 HA SER A 16 4.565 -17.323 -10.682 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.713 -15.490 -11.635 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.997 -15.386 -12.824 1.00 0.00 H new ATOM 0 HG SER A 16 2.457 -17.048 -13.337 1.00 0.00 H new ATOM 252 N ASP A 17 6.962 -15.979 -10.553 1.00 0.00 N ATOM 253 CA ASP A 17 8.343 -15.681 -10.898 1.00 0.00 C ATOM 254 C ASP A 17 9.267 -16.648 -10.156 1.00 0.00 C ATOM 255 O ASP A 17 10.478 -16.440 -10.106 1.00 0.00 O ATOM 256 CB ASP A 17 8.719 -14.257 -10.486 1.00 0.00 C ATOM 257 CG ASP A 17 9.463 -13.451 -11.554 1.00 0.00 C ATOM 258 OD1 ASP A 17 10.677 -13.219 -11.448 1.00 0.00 O ATOM 259 OD2 ASP A 17 8.734 -13.049 -12.538 1.00 0.00 O ATOM 0 H ASP A 17 6.809 -16.219 -9.574 1.00 0.00 H new ATOM 0 HA ASP A 17 8.451 -15.783 -11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.809 -13.721 -10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.339 -14.305 -9.591 1.00 0.00 H new ATOM 265 N GLY A 18 8.662 -17.688 -9.599 1.00 0.00 N ATOM 266 CA GLY A 18 9.416 -18.689 -8.865 1.00 0.00 C ATOM 267 C GLY A 18 10.067 -19.695 -9.817 1.00 0.00 C ATOM 268 O GLY A 18 9.988 -19.545 -11.034 1.00 0.00 O ATOM 0 H GLY A 18 7.657 -17.858 -9.642 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.184 -18.202 -8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.755 -19.212 -8.174 1.00 0.00 H new ATOM 272 N GLY A 19 10.695 -20.700 -9.224 1.00 0.00 N ATOM 273 CA GLY A 19 11.358 -21.732 -10.003 1.00 0.00 C ATOM 274 C GLY A 19 11.519 -23.017 -9.188 1.00 0.00 C ATOM 275 O GLY A 19 11.281 -23.023 -7.981 1.00 0.00 O ATOM 0 H GLY A 19 10.759 -20.821 -8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.781 -21.939 -10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.337 -21.377 -10.325 1.00 0.00 H new ATOM 279 N GLY A 20 11.923 -24.071 -9.881 1.00 0.00 N ATOM 280 CA GLY A 20 12.119 -25.359 -9.235 1.00 0.00 C ATOM 281 C GLY A 20 12.862 -25.198 -7.909 1.00 0.00 C ATOM 282 O GLY A 20 13.589 -24.225 -7.712 1.00 0.00 O ATOM 0 H GLY A 20 12.120 -24.061 -10.882 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.153 -25.833 -9.060 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.683 -26.019 -9.894 1.00 0.00 H new ATOM 286 N HIS A 21 12.654 -26.169 -7.029 1.00 0.00 N ATOM 287 CA HIS A 21 13.295 -26.149 -5.727 1.00 0.00 C ATOM 288 C HIS A 21 12.789 -24.949 -4.924 1.00 0.00 C ATOM 289 O HIS A 21 11.975 -24.168 -5.417 1.00 0.00 O ATOM 290 CB HIS A 21 14.818 -26.166 -5.870 1.00 0.00 C ATOM 291 CG HIS A 21 15.378 -27.501 -6.303 1.00 0.00 C ATOM 292 ND1 HIS A 21 16.296 -27.631 -7.330 1.00 0.00 N ATOM 293 CD2 HIS A 21 15.142 -28.760 -5.836 1.00 0.00 C ATOM 294 CE1 HIS A 21 16.590 -28.915 -7.467 1.00 0.00 C ATOM 295 NE2 HIS A 21 15.875 -29.613 -6.542 1.00 0.00 N ATOM 0 H HIS A 21 12.050 -26.974 -7.194 1.00 0.00 H new ATOM 0 HA HIS A 21 13.030 -27.050 -5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 21 15.113 -25.407 -6.594 1.00 0.00 H new ATOM 0 HB3 HIS A 21 15.266 -25.888 -4.916 1.00 0.00 H new ATOM 0 HD2 HIS A 21 14.473 -29.019 -5.029 1.00 0.00 H new ATOM 0 HE1 HIS A 21 17.277 -29.335 -8.187 1.00 0.00 H new ATOM 0 HE2 HIS A 21 15.899 -30.624 -6.413 1.00 0.00 H new ATOM 303 N PHE A 22 13.291 -24.838 -3.704 1.00 0.00 N ATOM 304 CA PHE A 22 12.901 -23.745 -2.829 1.00 0.00 C ATOM 305 C PHE A 22 11.387 -23.733 -2.611 1.00 0.00 C ATOM 306 O PHE A 22 10.626 -24.120 -3.497 1.00 0.00 O ATOM 307 CB PHE A 22 13.317 -22.446 -3.522 1.00 0.00 C ATOM 308 CG PHE A 22 14.680 -21.913 -3.079 1.00 0.00 C ATOM 309 CD1 PHE A 22 15.820 -22.492 -3.542 1.00 0.00 C ATOM 310 CD2 PHE A 22 14.752 -20.858 -2.223 1.00 0.00 C ATOM 311 CE1 PHE A 22 17.085 -21.997 -3.129 1.00 0.00 C ATOM 312 CE2 PHE A 22 16.018 -20.365 -1.811 1.00 0.00 C ATOM 313 CZ PHE A 22 17.157 -20.944 -2.274 1.00 0.00 C ATOM 0 H PHE A 22 13.965 -25.488 -3.300 1.00 0.00 H new ATOM 0 HA PHE A 22 13.380 -23.857 -1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 22 13.336 -22.611 -4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 22 12.561 -21.685 -3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 22 15.763 -23.328 -4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 22 13.847 -20.396 -1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 22 17.991 -22.458 -3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 22 16.076 -19.529 -1.129 1.00 0.00 H new ATOM 0 HZ PHE A 22 18.120 -20.567 -1.962 1.00 0.00 H new ATOM 323 N PRO A 23 10.986 -23.268 -1.397 1.00 0.00 N ATOM 324 CA PRO A 23 9.574 -23.200 -1.053 1.00 0.00 C ATOM 325 C PRO A 23 8.892 -22.029 -1.766 1.00 0.00 C ATOM 326 O PRO A 23 9.504 -20.980 -1.967 1.00 0.00 O ATOM 327 CB PRO A 23 9.545 -23.073 0.461 1.00 0.00 C ATOM 328 CG PRO A 23 10.934 -22.609 0.867 1.00 0.00 C ATOM 329 CD PRO A 23 11.858 -22.800 -0.326 1.00 0.00 C ATOM 0 HA PRO A 23 9.018 -24.080 -1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.786 -22.358 0.778 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.300 -24.027 0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.913 -21.562 1.170 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.292 -23.181 1.723 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.353 -21.867 -0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.642 -23.525 -0.108 1.00 0.00 H new ATOM 337 N PRO A 24 7.602 -22.252 -2.134 1.00 0.00 N ATOM 338 CA PRO A 24 6.831 -21.228 -2.818 1.00 0.00 C ATOM 339 C PRO A 24 6.399 -20.128 -1.849 1.00 0.00 C ATOM 340 O PRO A 24 6.055 -20.407 -0.700 1.00 0.00 O ATOM 341 CB PRO A 24 5.657 -21.969 -3.437 1.00 0.00 C ATOM 342 CG PRO A 24 5.560 -23.293 -2.694 1.00 0.00 C ATOM 343 CD PRO A 24 6.846 -23.481 -1.910 1.00 0.00 C ATOM 0 HA PRO A 24 7.407 -20.709 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.736 -21.396 -3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.815 -22.130 -4.503 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.701 -23.293 -2.024 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.417 -24.115 -3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.644 -23.634 -0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.398 -24.354 -2.258 1.00 0.00 H new ATOM 351 N THR A 25 6.432 -18.899 -2.346 1.00 0.00 N ATOM 352 CA THR A 25 6.048 -17.754 -1.537 1.00 0.00 C ATOM 353 C THR A 25 5.350 -16.700 -2.400 1.00 0.00 C ATOM 354 O THR A 25 4.979 -16.977 -3.540 1.00 0.00 O ATOM 355 CB THR A 25 7.302 -17.231 -0.834 1.00 0.00 C ATOM 356 OG1 THR A 25 8.123 -16.760 -1.897 1.00 0.00 O ATOM 357 CG2 THR A 25 8.124 -18.349 -0.192 1.00 0.00 C ATOM 0 H THR A 25 6.719 -18.672 -3.298 1.00 0.00 H new ATOM 0 HA THR A 25 5.322 -18.035 -0.773 1.00 0.00 H new ATOM 0 HB THR A 25 7.015 -16.509 -0.069 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.958 -16.401 -1.531 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.002 -17.923 0.293 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.516 -18.868 0.549 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.440 -19.055 -0.960 1.00 0.00 H new ATOM 365 N ILE A 26 5.194 -15.520 -1.824 1.00 0.00 N ATOM 366 CA ILE A 26 4.548 -14.424 -2.526 1.00 0.00 C ATOM 367 C ILE A 26 5.373 -13.148 -2.343 1.00 0.00 C ATOM 368 O ILE A 26 5.764 -12.814 -1.227 1.00 0.00 O ATOM 369 CB ILE A 26 3.092 -14.283 -2.076 1.00 0.00 C ATOM 370 CG1 ILE A 26 2.162 -14.111 -3.280 1.00 0.00 C ATOM 371 CG2 ILE A 26 2.938 -13.147 -1.064 1.00 0.00 C ATOM 372 CD1 ILE A 26 0.876 -13.383 -2.876 1.00 0.00 C ATOM 0 H ILE A 26 5.504 -15.297 -0.878 1.00 0.00 H new ATOM 0 HA ILE A 26 4.509 -14.629 -3.596 1.00 0.00 H new ATOM 0 HB ILE A 26 2.799 -15.203 -1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.673 -13.549 -4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.916 -15.087 -3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.894 -13.069 -0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.555 -13.353 -0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.255 -12.209 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.231 -13.273 -3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.356 -13.960 -2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.124 -12.398 -2.481 1.00 0.00 H new ATOM 384 N GLN A 27 5.614 -12.474 -3.458 1.00 0.00 N ATOM 385 CA GLN A 27 6.387 -11.243 -3.435 1.00 0.00 C ATOM 386 C GLN A 27 5.531 -10.070 -3.919 1.00 0.00 C ATOM 387 O GLN A 27 5.616 -9.674 -5.081 1.00 0.00 O ATOM 388 CB GLN A 27 7.657 -11.377 -4.276 1.00 0.00 C ATOM 389 CG GLN A 27 8.903 -11.401 -3.387 1.00 0.00 C ATOM 390 CD GLN A 27 9.940 -12.389 -3.923 1.00 0.00 C ATOM 391 OE1 GLN A 27 9.633 -13.317 -4.658 1.00 0.00 O ATOM 392 NE2 GLN A 27 11.182 -12.143 -3.516 1.00 0.00 N ATOM 0 H GLN A 27 5.288 -12.756 -4.382 1.00 0.00 H new ATOM 0 HA GLN A 27 6.691 -11.047 -2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.611 -12.291 -4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.722 -10.545 -4.978 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.338 -10.403 -3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.623 -11.678 -2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.370 -11.351 -2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.947 -12.747 -3.818 1.00 0.00 H new ATOM 401 N LEU A 28 4.727 -9.548 -3.003 1.00 0.00 N ATOM 402 CA LEU A 28 3.857 -8.430 -3.323 1.00 0.00 C ATOM 403 C LEU A 28 4.534 -7.125 -2.897 1.00 0.00 C ATOM 404 O LEU A 28 4.567 -6.797 -1.713 1.00 0.00 O ATOM 405 CB LEU A 28 2.472 -8.634 -2.704 1.00 0.00 C ATOM 406 CG LEU A 28 1.899 -10.048 -2.797 1.00 0.00 C ATOM 407 CD1 LEU A 28 1.002 -10.358 -1.594 1.00 0.00 C ATOM 408 CD2 LEU A 28 1.168 -10.259 -4.124 1.00 0.00 C ATOM 0 H LEU A 28 4.661 -9.879 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 28 3.694 -8.370 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.520 -8.351 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.775 -7.948 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 28 2.729 -10.754 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.608 -11.370 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.584 -10.277 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.176 -9.648 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.771 -11.273 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.349 -9.545 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.863 -10.110 -4.950 1.00 0.00 H new ATOM 420 N LEU A 29 5.059 -6.418 -3.886 1.00 0.00 N ATOM 421 CA LEU A 29 5.733 -5.157 -3.630 1.00 0.00 C ATOM 422 C LEU A 29 4.903 -4.011 -4.215 1.00 0.00 C ATOM 423 O LEU A 29 4.565 -4.027 -5.397 1.00 0.00 O ATOM 424 CB LEU A 29 7.172 -5.203 -4.150 1.00 0.00 C ATOM 425 CG LEU A 29 7.355 -5.767 -5.561 1.00 0.00 C ATOM 426 CD1 LEU A 29 7.285 -4.656 -6.610 1.00 0.00 C ATOM 427 CD2 LEU A 29 8.653 -6.571 -5.663 1.00 0.00 C ATOM 0 H LEU A 29 5.031 -6.695 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 29 5.812 -4.978 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.578 -4.192 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.768 -5.801 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 29 6.533 -6.453 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.418 -5.085 -7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.314 -4.164 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.073 -3.927 -6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.761 -6.961 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.500 -5.925 -5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.624 -7.400 -4.956 1.00 0.00 H new ATOM 439 N CYS A 30 4.601 -3.046 -3.359 1.00 0.00 N ATOM 440 CA CYS A 30 3.816 -1.895 -3.776 1.00 0.00 C ATOM 441 C CYS A 30 4.782 -0.793 -4.220 1.00 0.00 C ATOM 442 O CYS A 30 5.933 -0.764 -3.794 1.00 0.00 O ATOM 443 CB CYS A 30 2.877 -1.419 -2.665 1.00 0.00 C ATOM 444 SG CYS A 30 1.359 -2.416 -2.466 1.00 0.00 S ATOM 0 H CYS A 30 4.885 -3.037 -2.379 1.00 0.00 H new ATOM 0 HA CYS A 30 3.172 -2.171 -4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.423 -1.421 -1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.593 -0.386 -2.866 1.00 0.00 H new ATOM 449 N LEU A 31 4.274 0.084 -5.072 1.00 0.00 N ATOM 450 CA LEU A 31 5.076 1.185 -5.578 1.00 0.00 C ATOM 451 C LEU A 31 4.475 2.511 -5.104 1.00 0.00 C ATOM 452 O LEU A 31 3.459 2.960 -5.633 1.00 0.00 O ATOM 453 CB LEU A 31 5.221 1.088 -7.099 1.00 0.00 C ATOM 454 CG LEU A 31 5.618 2.377 -7.819 1.00 0.00 C ATOM 455 CD1 LEU A 31 4.394 3.068 -8.423 1.00 0.00 C ATOM 456 CD2 LEU A 31 6.400 3.306 -6.888 1.00 0.00 C ATOM 0 H LEU A 31 3.317 0.055 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 31 6.089 1.131 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.966 0.325 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.274 0.741 -7.513 1.00 0.00 H new ATOM 0 HG LEU A 31 6.280 2.117 -8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.705 3.982 -8.929 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.916 2.401 -9.140 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.687 3.314 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.670 4.215 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.782 3.563 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.305 2.803 -6.548 1.00 0.00 H new ATOM 468 N VAL A 32 5.127 3.096 -4.110 1.00 0.00 N ATOM 469 CA VAL A 32 4.669 4.359 -3.558 1.00 0.00 C ATOM 470 C VAL A 32 5.826 5.359 -3.553 1.00 0.00 C ATOM 471 O VAL A 32 6.833 5.145 -2.879 1.00 0.00 O ATOM 472 CB VAL A 32 4.068 4.136 -2.168 1.00 0.00 C ATOM 473 CG1 VAL A 32 5.157 4.122 -1.095 1.00 0.00 C ATOM 474 CG2 VAL A 32 3.003 5.190 -1.854 1.00 0.00 C ATOM 0 H VAL A 32 5.968 2.719 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 32 3.877 4.780 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 32 3.584 3.160 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.702 3.962 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.863 3.318 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.683 5.076 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.593 5.008 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.453 6.182 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.204 5.131 -2.593 1.00 0.00 H new ATOM 484 N SER A 33 5.647 6.428 -4.313 1.00 0.00 N ATOM 485 CA SER A 33 6.664 7.462 -4.405 1.00 0.00 C ATOM 486 C SER A 33 6.015 8.812 -4.716 1.00 0.00 C ATOM 487 O SER A 33 4.792 8.905 -4.831 1.00 0.00 O ATOM 488 CB SER A 33 7.703 7.116 -5.473 1.00 0.00 C ATOM 489 OG SER A 33 7.107 6.877 -6.743 1.00 0.00 O ATOM 0 H SER A 33 4.812 6.601 -4.872 1.00 0.00 H new ATOM 0 HA SER A 33 7.174 7.525 -3.444 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.421 7.932 -5.558 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.261 6.232 -5.163 1.00 0.00 H new ATOM 0 HG SER A 33 7.805 6.661 -7.396 1.00 0.00 H new ATOM 495 N GLY A 34 6.859 9.824 -4.841 1.00 0.00 N ATOM 496 CA GLY A 34 6.382 11.164 -5.136 1.00 0.00 C ATOM 497 C GLY A 34 5.932 11.879 -3.858 1.00 0.00 C ATOM 498 O GLY A 34 6.333 13.014 -3.604 1.00 0.00 O ATOM 0 H GLY A 34 7.871 9.743 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.173 11.738 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.551 11.112 -5.840 1.00 0.00 H new ATOM 502 N TYR A 35 5.103 11.186 -3.092 1.00 0.00 N ATOM 503 CA TYR A 35 4.594 11.740 -1.849 1.00 0.00 C ATOM 504 C TYR A 35 5.734 12.017 -0.864 1.00 0.00 C ATOM 505 O TYR A 35 6.777 11.368 -0.921 1.00 0.00 O ATOM 506 CB TYR A 35 3.674 10.670 -1.256 1.00 0.00 C ATOM 507 CG TYR A 35 4.399 9.391 -0.834 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.282 9.416 0.227 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.170 8.212 -1.512 1.00 0.00 C ATOM 510 CE1 TYR A 35 5.964 8.212 0.625 1.00 0.00 C ATOM 511 CE2 TYR A 35 4.851 7.007 -1.114 1.00 0.00 C ATOM 512 CZ TYR A 35 5.716 7.067 -0.065 1.00 0.00 C ATOM 513 OH TYR A 35 6.359 5.930 0.311 1.00 0.00 O ATOM 0 H TYR A 35 4.771 10.246 -3.308 1.00 0.00 H new ATOM 0 HA TYR A 35 4.077 12.682 -2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.160 11.087 -0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.909 10.416 -1.989 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.461 10.339 0.759 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.479 8.192 -2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.657 8.218 1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.679 6.077 -1.636 1.00 0.00 H new ATOM 0 HH TYR A 35 5.788 5.418 0.921 1.00 0.00 H new ATOM 523 N THR A 36 5.495 12.983 0.009 1.00 0.00 N ATOM 524 CA THR A 36 6.487 13.355 1.002 1.00 0.00 C ATOM 525 C THR A 36 7.847 13.589 0.338 1.00 0.00 C ATOM 526 O THR A 36 8.193 12.909 -0.626 1.00 0.00 O ATOM 527 CB THR A 36 6.515 12.265 2.075 1.00 0.00 C ATOM 528 OG1 THR A 36 5.144 11.916 2.252 1.00 0.00 O ATOM 529 CG2 THR A 36 6.943 12.799 3.443 1.00 0.00 C ATOM 0 H THR A 36 4.629 13.520 0.049 1.00 0.00 H new ATOM 0 HA THR A 36 6.229 14.298 1.483 1.00 0.00 H new ATOM 0 HB THR A 36 7.195 11.471 1.767 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.614 12.729 2.387 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.946 11.984 4.167 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.944 13.224 3.371 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.244 13.570 3.767 1.00 0.00 H new ATOM 537 N PRO A 37 8.596 14.578 0.895 1.00 0.00 N ATOM 538 CA PRO A 37 9.907 14.910 0.367 1.00 0.00 C ATOM 539 C PRO A 37 10.942 13.855 0.765 1.00 0.00 C ATOM 540 O PRO A 37 12.019 13.780 0.172 1.00 0.00 O ATOM 541 CB PRO A 37 10.221 16.287 0.926 1.00 0.00 C ATOM 542 CG PRO A 37 9.287 16.477 2.112 1.00 0.00 C ATOM 543 CD PRO A 37 8.216 15.404 2.037 1.00 0.00 C ATOM 0 HA PRO A 37 9.929 14.923 -0.723 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.264 16.355 1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.060 17.060 0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.839 16.401 3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.836 17.469 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.179 14.817 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.227 15.841 1.898 1.00 0.00 H new ATOM 551 N GLY A 38 10.578 13.063 1.764 1.00 0.00 N ATOM 552 CA GLY A 38 11.460 12.016 2.248 1.00 0.00 C ATOM 553 C GLY A 38 10.795 10.643 2.134 1.00 0.00 C ATOM 554 O GLY A 38 11.391 9.701 1.617 1.00 0.00 O ATOM 0 H GLY A 38 9.684 13.126 2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.388 12.023 1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.725 12.210 3.287 1.00 0.00 H new ATOM 558 N THR A 39 9.569 10.572 2.632 1.00 0.00 N ATOM 559 CA THR A 39 8.816 9.329 2.593 1.00 0.00 C ATOM 560 C THR A 39 7.701 9.349 3.643 1.00 0.00 C ATOM 561 O THR A 39 7.642 10.254 4.472 1.00 0.00 O ATOM 562 CB THR A 39 9.802 8.174 2.777 1.00 0.00 C ATOM 563 OG1 THR A 39 10.153 7.803 1.448 1.00 0.00 O ATOM 564 CG2 THR A 39 9.135 6.923 3.351 1.00 0.00 C ATOM 0 H THR A 39 9.078 11.355 3.065 1.00 0.00 H new ATOM 0 HA THR A 39 8.315 9.199 1.634 1.00 0.00 H new ATOM 0 HB THR A 39 10.612 8.488 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.813 8.435 1.095 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.878 6.133 3.462 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.704 7.155 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.348 6.588 2.676 1.00 0.00 H new ATOM 572 N ILE A 40 6.845 8.341 3.568 1.00 0.00 N ATOM 573 CA ILE A 40 5.735 8.231 4.498 1.00 0.00 C ATOM 574 C ILE A 40 5.961 7.026 5.414 1.00 0.00 C ATOM 575 O ILE A 40 7.081 6.783 5.859 1.00 0.00 O ATOM 576 CB ILE A 40 4.405 8.192 3.743 1.00 0.00 C ATOM 577 CG1 ILE A 40 4.363 7.011 2.772 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.131 9.523 3.043 1.00 0.00 C ATOM 579 CD1 ILE A 40 3.414 7.296 1.606 1.00 0.00 C ATOM 0 H ILE A 40 6.898 7.593 2.877 1.00 0.00 H new ATOM 0 HA ILE A 40 5.684 9.112 5.138 1.00 0.00 H new ATOM 0 HB ILE A 40 3.604 8.042 4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.365 6.813 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.039 6.113 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.179 9.467 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.088 10.322 3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.930 9.731 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.402 6.441 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.409 7.470 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.755 8.180 1.067 1.00 0.00 H new ATOM 591 N ASN A 41 4.878 6.307 5.668 1.00 0.00 N ATOM 592 CA ASN A 41 4.943 5.132 6.521 1.00 0.00 C ATOM 593 C ASN A 41 4.712 3.879 5.676 1.00 0.00 C ATOM 594 O ASN A 41 4.082 3.944 4.620 1.00 0.00 O ATOM 595 CB ASN A 41 3.864 5.178 7.604 1.00 0.00 C ATOM 596 CG ASN A 41 4.485 5.337 8.993 1.00 0.00 C ATOM 597 OD1 ASN A 41 4.302 6.331 9.676 1.00 0.00 O ATOM 598 ND2 ASN A 41 5.234 4.302 9.372 1.00 0.00 N ATOM 0 H ASN A 41 3.950 6.515 5.298 1.00 0.00 H new ATOM 0 HA ASN A 41 5.926 5.111 6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.184 6.007 7.409 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.271 4.264 7.570 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.695 4.312 10.282 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.347 3.500 8.752 1.00 0.00 H new ATOM 605 N ILE A 42 5.232 2.766 6.172 1.00 0.00 N ATOM 606 CA ILE A 42 5.091 1.498 5.475 1.00 0.00 C ATOM 607 C ILE A 42 4.399 0.490 6.394 1.00 0.00 C ATOM 608 O ILE A 42 4.887 0.202 7.484 1.00 0.00 O ATOM 609 CB ILE A 42 6.446 1.019 4.949 1.00 0.00 C ATOM 610 CG1 ILE A 42 7.325 2.204 4.544 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.269 0.020 3.805 1.00 0.00 C ATOM 612 CD1 ILE A 42 6.707 2.972 3.371 1.00 0.00 C ATOM 0 H ILE A 42 5.752 2.715 7.048 1.00 0.00 H new ATOM 0 HA ILE A 42 4.458 1.617 4.596 1.00 0.00 H new ATOM 0 HB ILE A 42 6.960 0.496 5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.453 2.874 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.317 1.847 4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.247 -0.304 3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.707 -0.844 4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.726 0.495 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.352 3.809 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.603 2.306 2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.725 3.348 3.659 1.00 0.00 H new ATOM 624 N THR A 43 3.270 -0.017 5.921 1.00 0.00 N ATOM 625 CA THR A 43 2.505 -0.988 6.685 1.00 0.00 C ATOM 626 C THR A 43 1.644 -1.843 5.755 1.00 0.00 C ATOM 627 O THR A 43 1.334 -1.432 4.637 1.00 0.00 O ATOM 628 CB THR A 43 1.693 -0.227 7.736 1.00 0.00 C ATOM 629 OG1 THR A 43 2.575 0.805 8.174 1.00 0.00 O ATOM 630 CG2 THR A 43 1.437 -1.057 8.994 1.00 0.00 C ATOM 0 H THR A 43 2.866 0.227 5.017 1.00 0.00 H new ATOM 0 HA THR A 43 3.161 -1.689 7.202 1.00 0.00 H new ATOM 0 HB THR A 43 0.740 0.080 7.305 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.416 0.408 8.481 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.857 -0.469 9.706 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.882 -1.957 8.729 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.389 -1.337 9.445 1.00 0.00 H new ATOM 638 N TRP A 44 1.281 -3.017 6.247 1.00 0.00 N ATOM 639 CA TRP A 44 0.463 -3.935 5.475 1.00 0.00 C ATOM 640 C TRP A 44 -0.552 -4.578 6.423 1.00 0.00 C ATOM 641 O TRP A 44 -0.180 -5.111 7.467 1.00 0.00 O ATOM 642 CB TRP A 44 1.331 -4.960 4.742 1.00 0.00 C ATOM 643 CG TRP A 44 2.374 -4.342 3.811 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.346 -3.474 4.124 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.514 -4.578 2.395 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.098 -3.135 3.017 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.575 -3.829 1.932 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.765 -5.400 1.533 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.986 -3.826 0.594 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.188 -5.385 0.198 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.255 -4.637 -0.284 1.00 0.00 C ATOM 0 H TRP A 44 1.539 -3.355 7.174 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.080 -3.403 4.694 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.840 -5.582 5.478 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.685 -5.618 4.161 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.519 -3.088 5.118 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.891 -2.494 2.999 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.931 -5.995 1.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.822 -3.231 0.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.646 -5.998 -0.507 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.520 -4.680 -1.330 1.00 0.00 H new ATOM 662 N LEU A 45 -1.813 -4.507 6.025 1.00 0.00 N ATOM 663 CA LEU A 45 -2.884 -5.076 6.827 1.00 0.00 C ATOM 664 C LEU A 45 -3.049 -6.554 6.473 1.00 0.00 C ATOM 665 O LEU A 45 -3.503 -6.888 5.379 1.00 0.00 O ATOM 666 CB LEU A 45 -4.167 -4.257 6.665 1.00 0.00 C ATOM 667 CG LEU A 45 -4.920 -3.929 7.956 1.00 0.00 C ATOM 668 CD1 LEU A 45 -6.067 -2.951 7.688 1.00 0.00 C ATOM 669 CD2 LEU A 45 -5.402 -5.205 8.651 1.00 0.00 C ATOM 0 H LEU A 45 -2.118 -4.064 5.158 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.634 -5.028 7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.916 -3.321 6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.841 -4.801 6.003 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.229 -3.435 8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.586 -2.734 8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.667 -2.026 7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.766 -3.395 6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.934 -4.943 9.566 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.071 -5.751 7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.545 -5.831 8.897 1.00 0.00 H new ATOM 681 N GLU A 46 -2.674 -7.402 7.419 1.00 0.00 N ATOM 682 CA GLU A 46 -2.776 -8.838 7.222 1.00 0.00 C ATOM 683 C GLU A 46 -4.035 -9.380 7.900 1.00 0.00 C ATOM 684 O GLU A 46 -4.385 -8.952 8.999 1.00 0.00 O ATOM 685 CB GLU A 46 -1.522 -9.553 7.736 1.00 0.00 C ATOM 686 CG GLU A 46 -1.178 -10.756 6.855 1.00 0.00 C ATOM 687 CD GLU A 46 -1.685 -12.055 7.481 1.00 0.00 C ATOM 688 OE1 GLU A 46 -1.062 -12.579 8.415 1.00 0.00 O ATOM 689 OE2 GLU A 46 -2.770 -12.523 6.963 1.00 0.00 O ATOM 0 H GLU A 46 -2.299 -7.122 8.325 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.852 -9.034 6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.683 -8.857 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.682 -9.883 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.621 -10.627 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.098 -10.812 6.715 1.00 0.00 H new ATOM 697 N ASP A 47 -4.681 -10.315 7.217 1.00 0.00 N ATOM 698 CA ASP A 47 -5.893 -10.919 7.742 1.00 0.00 C ATOM 699 C ASP A 47 -5.880 -12.422 7.445 1.00 0.00 C ATOM 700 O ASP A 47 -6.258 -12.844 6.353 1.00 0.00 O ATOM 701 CB ASP A 47 -7.138 -10.318 7.085 1.00 0.00 C ATOM 702 CG ASP A 47 -7.949 -9.378 7.978 1.00 0.00 C ATOM 703 OD1 ASP A 47 -8.832 -9.815 8.729 1.00 0.00 O ATOM 704 OD2 ASP A 47 -7.639 -8.129 7.877 1.00 0.00 O ATOM 0 H ASP A 47 -4.388 -10.668 6.306 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.925 -10.731 8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.832 -9.773 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.785 -11.131 6.756 1.00 0.00 H new ATOM 710 N GLY A 48 -5.436 -13.184 8.433 1.00 0.00 N ATOM 711 CA GLY A 48 -5.368 -14.628 8.289 1.00 0.00 C ATOM 712 C GLY A 48 -4.550 -15.252 9.421 1.00 0.00 C ATOM 713 O GLY A 48 -5.037 -16.128 10.135 1.00 0.00 O ATOM 0 H GLY A 48 -5.120 -12.829 9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.375 -15.045 8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.919 -14.881 7.328 1.00 0.00 H new ATOM 717 N GLN A 49 -3.319 -14.779 9.548 1.00 0.00 N ATOM 718 CA GLN A 49 -2.425 -15.281 10.580 1.00 0.00 C ATOM 719 C GLN A 49 -0.996 -14.806 10.322 1.00 0.00 C ATOM 720 O GLN A 49 -0.208 -15.510 9.691 1.00 0.00 O ATOM 721 CB GLN A 49 -2.491 -16.806 10.667 1.00 0.00 C ATOM 722 CG GLN A 49 -2.876 -17.261 12.076 1.00 0.00 C ATOM 723 CD GLN A 49 -4.364 -17.613 12.151 1.00 0.00 C ATOM 724 OE1 GLN A 49 -4.791 -18.699 11.797 1.00 0.00 O ATOM 725 NE2 GLN A 49 -5.127 -16.633 12.630 1.00 0.00 N ATOM 0 H GLN A 49 -2.919 -14.053 8.954 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.750 -14.882 11.541 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.218 -17.183 9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.525 -17.231 10.396 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.279 -18.128 12.358 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.649 -16.471 12.792 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.704 -15.747 12.908 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.134 -16.768 12.719 1.00 0.00 H new ATOM 734 N VAL A 50 -0.701 -13.616 10.824 1.00 0.00 N ATOM 735 CA VAL A 50 0.621 -13.039 10.655 1.00 0.00 C ATOM 736 C VAL A 50 1.545 -13.557 11.758 1.00 0.00 C ATOM 737 O VAL A 50 2.307 -12.792 12.347 1.00 0.00 O ATOM 738 CB VAL A 50 0.525 -11.511 10.623 1.00 0.00 C ATOM 739 CG1 VAL A 50 0.344 -10.945 12.034 1.00 0.00 C ATOM 740 CG2 VAL A 50 1.748 -10.899 9.938 1.00 0.00 C ATOM 0 H VAL A 50 -1.356 -13.035 11.348 1.00 0.00 H new ATOM 0 HA VAL A 50 1.052 -13.345 9.701 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.355 -11.241 10.038 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.278 -9.858 11.984 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.571 -11.344 12.472 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.196 -11.229 12.652 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.654 -9.813 9.929 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.649 -11.181 10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.813 -11.266 8.914 1.00 0.00 H new ATOM 750 N MET A 51 1.446 -14.855 12.006 1.00 0.00 N ATOM 751 CA MET A 51 2.261 -15.486 13.030 1.00 0.00 C ATOM 752 C MET A 51 3.621 -15.903 12.466 1.00 0.00 C ATOM 753 O MET A 51 4.640 -15.791 13.144 1.00 0.00 O ATOM 754 CB MET A 51 1.534 -16.716 13.577 1.00 0.00 C ATOM 755 CG MET A 51 1.837 -17.955 12.730 1.00 0.00 C ATOM 756 SD MET A 51 0.868 -19.339 13.305 1.00 0.00 S ATOM 757 CE MET A 51 1.993 -20.676 12.939 1.00 0.00 C ATOM 0 H MET A 51 0.813 -15.487 11.515 1.00 0.00 H new ATOM 0 HA MET A 51 2.426 -14.767 13.832 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.838 -16.893 14.609 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.460 -16.533 13.588 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.613 -17.753 11.683 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.899 -18.195 12.788 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.542 -21.623 13.237 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.201 -20.694 11.869 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.924 -20.529 13.487 1.00 0.00 H new ATOM 767 N ASP A 52 3.591 -16.381 11.230 1.00 0.00 N ATOM 768 CA ASP A 52 4.808 -16.815 10.566 1.00 0.00 C ATOM 769 C ASP A 52 5.740 -15.617 10.378 1.00 0.00 C ATOM 770 O ASP A 52 5.709 -14.672 11.167 1.00 0.00 O ATOM 771 CB ASP A 52 4.504 -17.401 9.184 1.00 0.00 C ATOM 772 CG ASP A 52 5.434 -18.530 8.742 1.00 0.00 C ATOM 773 OD1 ASP A 52 6.374 -18.316 7.961 1.00 0.00 O ATOM 774 OD2 ASP A 52 5.159 -19.689 9.241 1.00 0.00 O ATOM 0 H ASP A 52 2.743 -16.477 10.672 1.00 0.00 H new ATOM 0 HA ASP A 52 5.275 -17.580 11.187 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.479 -17.773 9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.555 -16.599 8.447 1.00 0.00 H new ATOM 780 N VAL A 53 6.547 -15.692 9.331 1.00 0.00 N ATOM 781 CA VAL A 53 7.485 -14.625 9.028 1.00 0.00 C ATOM 782 C VAL A 53 7.048 -13.915 7.744 1.00 0.00 C ATOM 783 O VAL A 53 7.884 -13.440 6.979 1.00 0.00 O ATOM 784 CB VAL A 53 8.906 -15.185 8.948 1.00 0.00 C ATOM 785 CG1 VAL A 53 9.839 -14.208 8.228 1.00 0.00 C ATOM 786 CG2 VAL A 53 9.441 -15.530 10.339 1.00 0.00 C ATOM 0 H VAL A 53 6.571 -16.477 8.680 1.00 0.00 H new ATOM 0 HA VAL A 53 7.487 -13.881 9.825 1.00 0.00 H new ATOM 0 HB VAL A 53 8.870 -16.106 8.367 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.843 -14.629 8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.474 -14.035 7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.865 -13.263 8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.453 -15.926 10.252 1.00 0.00 H new ATOM 0 HG22 VAL A 53 9.455 -14.632 10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.797 -16.278 10.801 1.00 0.00 H new ATOM 796 N ASP A 54 5.738 -13.864 7.552 1.00 0.00 N ATOM 797 CA ASP A 54 5.180 -13.221 6.375 1.00 0.00 C ATOM 798 C ASP A 54 4.898 -11.751 6.690 1.00 0.00 C ATOM 799 O ASP A 54 3.882 -11.425 7.302 1.00 0.00 O ATOM 800 CB ASP A 54 3.862 -13.876 5.961 1.00 0.00 C ATOM 801 CG ASP A 54 2.969 -14.325 7.121 1.00 0.00 C ATOM 802 OD1 ASP A 54 3.365 -14.254 8.296 1.00 0.00 O ATOM 803 OD2 ASP A 54 1.809 -14.771 6.777 1.00 0.00 O ATOM 0 H ASP A 54 5.047 -14.257 8.191 1.00 0.00 H new ATOM 0 HA ASP A 54 5.901 -13.319 5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.303 -13.173 5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.084 -14.742 5.337 1.00 0.00 H new ATOM 809 N LEU A 55 5.817 -10.899 6.254 1.00 0.00 N ATOM 810 CA LEU A 55 5.680 -9.471 6.482 1.00 0.00 C ATOM 811 C LEU A 55 6.070 -8.717 5.209 1.00 0.00 C ATOM 812 O LEU A 55 6.770 -9.256 4.353 1.00 0.00 O ATOM 813 CB LEU A 55 6.478 -9.046 7.717 1.00 0.00 C ATOM 814 CG LEU A 55 7.617 -8.055 7.471 1.00 0.00 C ATOM 815 CD1 LEU A 55 8.591 -8.589 6.418 1.00 0.00 C ATOM 816 CD2 LEU A 55 7.072 -6.674 7.099 1.00 0.00 C ATOM 0 H LEU A 55 6.658 -11.171 5.745 1.00 0.00 H new ATOM 0 HA LEU A 55 4.642 -9.218 6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.788 -8.605 8.437 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.895 -9.940 8.181 1.00 0.00 H new ATOM 0 HG LEU A 55 8.177 -7.941 8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.391 -7.865 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.017 -9.532 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.060 -8.751 5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.902 -5.989 6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.474 -6.751 6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.451 -6.297 7.911 1.00 0.00 H new ATOM 828 N SER A 56 5.599 -7.481 5.123 1.00 0.00 N ATOM 829 CA SER A 56 5.888 -6.646 3.969 1.00 0.00 C ATOM 830 C SER A 56 6.556 -5.345 4.417 1.00 0.00 C ATOM 831 O SER A 56 6.070 -4.676 5.329 1.00 0.00 O ATOM 832 CB SER A 56 4.617 -6.345 3.173 1.00 0.00 C ATOM 833 OG SER A 56 3.439 -6.613 3.930 1.00 0.00 O ATOM 0 H SER A 56 5.018 -7.037 5.835 1.00 0.00 H new ATOM 0 HA SER A 56 6.571 -7.190 3.317 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.621 -5.299 2.865 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.608 -6.945 2.263 1.00 0.00 H new ATOM 0 HG SER A 56 2.659 -6.247 3.462 1.00 0.00 H new ATOM 839 N THR A 57 7.660 -5.025 3.758 1.00 0.00 N ATOM 840 CA THR A 57 8.399 -3.815 4.078 1.00 0.00 C ATOM 841 C THR A 57 8.699 -3.022 2.805 1.00 0.00 C ATOM 842 O THR A 57 8.706 -3.578 1.708 1.00 0.00 O ATOM 843 CB THR A 57 9.655 -4.219 4.853 1.00 0.00 C ATOM 844 OG1 THR A 57 9.412 -5.574 5.228 1.00 0.00 O ATOM 845 CG2 THR A 57 9.783 -3.480 6.187 1.00 0.00 C ATOM 0 H THR A 57 8.061 -5.583 3.004 1.00 0.00 H new ATOM 0 HA THR A 57 7.812 -3.147 4.709 1.00 0.00 H new ATOM 0 HB THR A 57 10.537 -4.022 4.243 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.179 -5.916 5.734 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.691 -3.803 6.696 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.832 -2.406 6.005 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.918 -3.703 6.811 1.00 0.00 H new ATOM 853 N ALA A 58 8.938 -1.732 2.992 1.00 0.00 N ATOM 854 CA ALA A 58 9.238 -0.856 1.874 1.00 0.00 C ATOM 855 C ALA A 58 10.515 -0.070 2.174 1.00 0.00 C ATOM 856 O ALA A 58 10.845 0.163 3.336 1.00 0.00 O ATOM 857 CB ALA A 58 8.040 0.057 1.605 1.00 0.00 C ATOM 0 H ALA A 58 8.930 -1.273 3.903 1.00 0.00 H new ATOM 0 HA ALA A 58 9.415 -1.437 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.265 0.715 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.166 -0.550 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.834 0.657 2.491 1.00 0.00 H new ATOM 863 N SER A 59 11.199 0.317 1.108 1.00 0.00 N ATOM 864 CA SER A 59 12.435 1.072 1.243 1.00 0.00 C ATOM 865 C SER A 59 12.191 2.540 0.886 1.00 0.00 C ATOM 866 O SER A 59 11.174 2.875 0.281 1.00 0.00 O ATOM 867 CB SER A 59 13.537 0.485 0.360 1.00 0.00 C ATOM 868 OG SER A 59 13.933 1.388 -0.669 1.00 0.00 O ATOM 0 H SER A 59 10.922 0.122 0.146 1.00 0.00 H new ATOM 0 HA SER A 59 12.766 1.007 2.280 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.401 0.236 0.976 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.186 -0.444 -0.088 1.00 0.00 H new ATOM 0 HG SER A 59 14.639 0.977 -1.211 1.00 0.00 H new ATOM 874 N THR A 60 13.144 3.375 1.272 1.00 0.00 N ATOM 875 CA THR A 60 13.046 4.799 0.999 1.00 0.00 C ATOM 876 C THR A 60 14.036 5.201 -0.096 1.00 0.00 C ATOM 877 O THR A 60 15.159 4.700 -0.136 1.00 0.00 O ATOM 878 CB THR A 60 13.260 5.548 2.318 1.00 0.00 C ATOM 879 OG1 THR A 60 12.589 4.746 3.285 1.00 0.00 O ATOM 880 CG2 THR A 60 12.515 6.884 2.358 1.00 0.00 C ATOM 0 H THR A 60 13.988 3.093 1.771 1.00 0.00 H new ATOM 0 HA THR A 60 12.061 5.062 0.615 1.00 0.00 H new ATOM 0 HB THR A 60 14.325 5.722 2.469 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.679 5.157 4.170 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.700 7.375 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.868 7.522 1.548 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.446 6.708 2.241 1.00 0.00 H new ATOM 888 N THR A 61 13.585 6.102 -0.954 1.00 0.00 N ATOM 889 CA THR A 61 14.416 6.578 -2.046 1.00 0.00 C ATOM 890 C THR A 61 14.154 8.063 -2.310 1.00 0.00 C ATOM 891 O THR A 61 13.118 8.594 -1.915 1.00 0.00 O ATOM 892 CB THR A 61 14.151 5.690 -3.265 1.00 0.00 C ATOM 893 OG1 THR A 61 12.994 4.944 -2.903 1.00 0.00 O ATOM 894 CG2 THR A 61 15.236 4.627 -3.459 1.00 0.00 C ATOM 0 H THR A 61 12.654 6.516 -0.915 1.00 0.00 H new ATOM 0 HA THR A 61 15.474 6.506 -1.796 1.00 0.00 H new ATOM 0 HB THR A 61 14.084 6.309 -4.160 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.245 5.557 -2.747 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.002 4.024 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.201 5.114 -3.601 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.279 3.986 -2.579 1.00 0.00 H new ATOM 902 N GLN A 62 15.110 8.692 -2.978 1.00 0.00 N ATOM 903 CA GLN A 62 14.995 10.104 -3.298 1.00 0.00 C ATOM 904 C GLN A 62 14.659 10.283 -4.781 1.00 0.00 C ATOM 905 O GLN A 62 15.313 9.703 -5.645 1.00 0.00 O ATOM 906 CB GLN A 62 16.278 10.854 -2.931 1.00 0.00 C ATOM 907 CG GLN A 62 17.446 10.409 -3.816 1.00 0.00 C ATOM 908 CD GLN A 62 18.748 11.083 -3.380 1.00 0.00 C ATOM 909 OE1 GLN A 62 19.066 11.181 -2.206 1.00 0.00 O ATOM 910 NE2 GLN A 62 19.484 11.543 -4.391 1.00 0.00 N ATOM 0 H GLN A 62 15.968 8.249 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 62 14.184 10.529 -2.707 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.121 11.927 -3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.522 10.675 -1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.557 9.326 -3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.234 10.656 -4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.160 11.428 -5.351 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.372 12.010 -4.205 1.00 0.00 H new ATOM 919 N GLU A 63 13.639 11.093 -5.027 1.00 0.00 N ATOM 920 CA GLU A 63 13.206 11.360 -6.388 1.00 0.00 C ATOM 921 C GLU A 63 13.149 12.866 -6.641 1.00 0.00 C ATOM 922 O GLU A 63 12.090 13.408 -6.952 1.00 0.00 O ATOM 923 CB GLU A 63 11.855 10.705 -6.672 1.00 0.00 C ATOM 924 CG GLU A 63 11.968 9.672 -7.796 1.00 0.00 C ATOM 925 CD GLU A 63 11.354 10.206 -9.094 1.00 0.00 C ATOM 926 OE1 GLU A 63 11.947 11.074 -9.751 1.00 0.00 O ATOM 927 OE2 GLU A 63 10.218 9.683 -9.412 1.00 0.00 O ATOM 0 H GLU A 63 13.100 11.573 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 63 13.934 10.924 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.484 10.223 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.128 11.469 -6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.016 9.422 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.463 8.752 -7.502 1.00 0.00 H new ATOM 935 N GLY A 64 14.303 13.503 -6.501 1.00 0.00 N ATOM 936 CA GLY A 64 14.398 14.939 -6.712 1.00 0.00 C ATOM 937 C GLY A 64 13.728 15.703 -5.569 1.00 0.00 C ATOM 938 O GLY A 64 14.271 15.786 -4.469 1.00 0.00 O ATOM 0 H GLY A 64 15.181 13.051 -6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.445 15.231 -6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.926 15.204 -7.658 1.00 0.00 H new ATOM 942 N GLU A 65 12.558 16.247 -5.870 1.00 0.00 N ATOM 943 CA GLU A 65 11.806 17.005 -4.883 1.00 0.00 C ATOM 944 C GLU A 65 10.716 16.131 -4.260 1.00 0.00 C ATOM 945 O GLU A 65 9.979 16.583 -3.385 1.00 0.00 O ATOM 946 CB GLU A 65 11.210 18.271 -5.502 1.00 0.00 C ATOM 947 CG GLU A 65 10.697 19.221 -4.418 1.00 0.00 C ATOM 948 CD GLU A 65 9.352 19.833 -4.817 1.00 0.00 C ATOM 949 OE1 GLU A 65 9.306 20.707 -5.695 1.00 0.00 O ATOM 950 OE2 GLU A 65 8.333 19.370 -4.177 1.00 0.00 O ATOM 0 H GLU A 65 12.111 16.178 -6.784 1.00 0.00 H new ATOM 0 HA GLU A 65 12.490 17.315 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.965 18.775 -6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.393 18.003 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.590 18.681 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.426 20.014 -4.250 1.00 0.00 H new ATOM 958 N LEU A 66 10.648 14.896 -4.737 1.00 0.00 N ATOM 959 CA LEU A 66 9.661 13.957 -4.237 1.00 0.00 C ATOM 960 C LEU A 66 10.370 12.844 -3.461 1.00 0.00 C ATOM 961 O LEU A 66 11.594 12.842 -3.348 1.00 0.00 O ATOM 962 CB LEU A 66 8.783 13.443 -5.380 1.00 0.00 C ATOM 963 CG LEU A 66 8.893 14.205 -6.703 1.00 0.00 C ATOM 964 CD1 LEU A 66 8.321 13.380 -7.859 1.00 0.00 C ATOM 965 CD2 LEU A 66 8.232 15.583 -6.599 1.00 0.00 C ATOM 0 H LEU A 66 11.260 14.526 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 66 8.983 14.452 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.034 12.398 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.743 13.469 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 66 9.949 14.370 -6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.411 13.944 -8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.874 12.445 -7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.270 13.164 -7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.324 16.104 -7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.177 15.463 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.724 16.164 -5.819 1.00 0.00 H new ATOM 977 N ALA A 67 9.567 11.925 -2.941 1.00 0.00 N ATOM 978 CA ALA A 67 10.101 10.810 -2.179 1.00 0.00 C ATOM 979 C ALA A 67 9.539 9.499 -2.734 1.00 0.00 C ATOM 980 O ALA A 67 8.324 9.297 -2.741 1.00 0.00 O ATOM 981 CB ALA A 67 9.777 11.003 -0.695 1.00 0.00 C ATOM 0 H ALA A 67 8.551 11.931 -3.033 1.00 0.00 H new ATOM 0 HA ALA A 67 11.186 10.767 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.178 10.166 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.226 11.932 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.696 11.049 -0.562 1.00 0.00 H new ATOM 987 N SER A 68 10.447 8.645 -3.183 1.00 0.00 N ATOM 988 CA SER A 68 10.054 7.361 -3.739 1.00 0.00 C ATOM 989 C SER A 68 10.336 6.249 -2.730 1.00 0.00 C ATOM 990 O SER A 68 11.480 6.050 -2.323 1.00 0.00 O ATOM 991 CB SER A 68 10.783 7.085 -5.054 1.00 0.00 C ATOM 992 OG SER A 68 10.288 5.917 -5.705 1.00 0.00 O ATOM 0 H SER A 68 11.452 8.817 -3.173 1.00 0.00 H new ATOM 0 HA SER A 68 8.985 7.390 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.673 7.943 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.849 6.967 -4.860 1.00 0.00 H new ATOM 0 HG SER A 68 10.778 5.776 -6.542 1.00 0.00 H new ATOM 998 N THR A 69 9.275 5.549 -2.354 1.00 0.00 N ATOM 999 CA THR A 69 9.395 4.461 -1.400 1.00 0.00 C ATOM 1000 C THR A 69 8.859 3.161 -2.003 1.00 0.00 C ATOM 1001 O THR A 69 7.682 3.071 -2.350 1.00 0.00 O ATOM 1002 CB THR A 69 8.674 4.874 -0.116 1.00 0.00 C ATOM 1003 OG1 THR A 69 9.730 5.198 0.786 1.00 0.00 O ATOM 1004 CG2 THR A 69 7.956 3.704 0.558 1.00 0.00 C ATOM 0 H THR A 69 8.328 5.715 -2.694 1.00 0.00 H new ATOM 0 HA THR A 69 10.439 4.265 -1.156 1.00 0.00 H new ATOM 0 HB THR A 69 7.953 5.659 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.798 6.172 0.874 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.462 4.054 1.464 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.213 3.291 -0.124 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.681 2.932 0.815 1.00 0.00 H new ATOM 1012 N GLN A 70 9.748 2.185 -2.113 1.00 0.00 N ATOM 1013 CA GLN A 70 9.380 0.895 -2.670 1.00 0.00 C ATOM 1014 C GLN A 70 8.936 -0.056 -1.556 1.00 0.00 C ATOM 1015 O GLN A 70 9.660 -0.265 -0.586 1.00 0.00 O ATOM 1016 CB GLN A 70 10.535 0.294 -3.475 1.00 0.00 C ATOM 1017 CG GLN A 70 11.601 -0.295 -2.549 1.00 0.00 C ATOM 1018 CD GLN A 70 12.933 -0.467 -3.284 1.00 0.00 C ATOM 1019 OE1 GLN A 70 13.217 0.198 -4.266 1.00 0.00 O ATOM 1020 NE2 GLN A 70 13.725 -1.394 -2.756 1.00 0.00 N ATOM 0 H GLN A 70 10.724 2.262 -1.825 1.00 0.00 H new ATOM 0 HA GLN A 70 8.543 1.042 -3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.155 -0.483 -4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.981 1.062 -4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.739 0.357 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.264 -1.259 -2.169 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.423 -1.914 -1.932 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.635 -1.586 -3.175 1.00 0.00 H new ATOM 1029 N SER A 71 7.744 -0.607 -1.734 1.00 0.00 N ATOM 1030 CA SER A 71 7.193 -1.531 -0.759 1.00 0.00 C ATOM 1031 C SER A 71 7.236 -2.959 -1.304 1.00 0.00 C ATOM 1032 O SER A 71 6.987 -3.181 -2.488 1.00 0.00 O ATOM 1033 CB SER A 71 5.759 -1.150 -0.383 1.00 0.00 C ATOM 1034 OG SER A 71 5.499 0.234 -0.614 1.00 0.00 O ATOM 0 H SER A 71 7.144 -0.431 -2.540 1.00 0.00 H new ATOM 0 HA SER A 71 7.803 -1.475 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.059 -1.753 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.585 -1.382 0.668 1.00 0.00 H new ATOM 0 HG SER A 71 4.574 0.439 -0.364 1.00 0.00 H new ATOM 1040 N GLU A 72 7.554 -3.891 -0.417 1.00 0.00 N ATOM 1041 CA GLU A 72 7.633 -5.291 -0.797 1.00 0.00 C ATOM 1042 C GLU A 72 6.910 -6.162 0.233 1.00 0.00 C ATOM 1043 O GLU A 72 6.768 -5.771 1.391 1.00 0.00 O ATOM 1044 CB GLU A 72 9.088 -5.733 -0.964 1.00 0.00 C ATOM 1045 CG GLU A 72 10.018 -4.523 -1.086 1.00 0.00 C ATOM 1046 CD GLU A 72 11.450 -4.962 -1.400 1.00 0.00 C ATOM 1047 OE1 GLU A 72 12.258 -5.146 -0.477 1.00 0.00 O ATOM 1048 OE2 GLU A 72 11.712 -5.115 -2.652 1.00 0.00 O ATOM 0 H GLU A 72 7.760 -3.703 0.564 1.00 0.00 H new ATOM 0 HA GLU A 72 7.138 -5.414 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.387 -6.342 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.182 -6.359 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.657 -3.860 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.004 -3.954 -0.157 1.00 0.00 H new ATOM 1056 N LEU A 73 6.472 -7.324 -0.226 1.00 0.00 N ATOM 1057 CA LEU A 73 5.768 -8.254 0.641 1.00 0.00 C ATOM 1058 C LEU A 73 6.325 -9.662 0.433 1.00 0.00 C ATOM 1059 O LEU A 73 6.582 -10.072 -0.699 1.00 0.00 O ATOM 1060 CB LEU A 73 4.256 -8.151 0.421 1.00 0.00 C ATOM 1061 CG LEU A 73 3.379 -8.895 1.430 1.00 0.00 C ATOM 1062 CD1 LEU A 73 2.032 -8.190 1.610 1.00 0.00 C ATOM 1063 CD2 LEU A 73 3.212 -10.364 1.035 1.00 0.00 C ATOM 0 H LEU A 73 6.591 -7.644 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 73 5.933 -7.998 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.978 -7.097 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.027 -8.527 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 73 3.882 -8.879 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.428 -8.739 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.198 -7.175 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.510 -8.153 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.584 -10.869 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.743 -10.426 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.190 -10.845 1.001 1.00 0.00 H new ATOM 1075 N THR A 74 6.497 -10.368 1.542 1.00 0.00 N ATOM 1076 CA THR A 74 7.019 -11.722 1.495 1.00 0.00 C ATOM 1077 C THR A 74 6.234 -12.631 2.442 1.00 0.00 C ATOM 1078 O THR A 74 6.249 -12.429 3.654 1.00 0.00 O ATOM 1079 CB THR A 74 8.517 -11.662 1.812 1.00 0.00 C ATOM 1080 OG1 THR A 74 8.765 -10.278 2.051 1.00 0.00 O ATOM 1081 CG2 THR A 74 9.386 -11.991 0.598 1.00 0.00 C ATOM 0 H THR A 74 6.283 -10.026 2.479 1.00 0.00 H new ATOM 0 HA THR A 74 6.898 -12.158 0.503 1.00 0.00 H new ATOM 0 HB THR A 74 8.745 -12.357 2.620 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.712 -10.148 2.266 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.438 -11.934 0.877 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.157 -12.998 0.249 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.183 -11.276 -0.199 1.00 0.00 H new ATOM 1089 N LEU A 75 5.565 -13.609 1.852 1.00 0.00 N ATOM 1090 CA LEU A 75 4.775 -14.550 2.627 1.00 0.00 C ATOM 1091 C LEU A 75 4.892 -15.942 2.006 1.00 0.00 C ATOM 1092 O LEU A 75 4.989 -16.078 0.788 1.00 0.00 O ATOM 1093 CB LEU A 75 3.332 -14.055 2.758 1.00 0.00 C ATOM 1094 CG LEU A 75 2.333 -14.627 1.750 1.00 0.00 C ATOM 1095 CD1 LEU A 75 1.777 -15.968 2.231 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.221 -13.620 1.451 1.00 0.00 C ATOM 0 H LEU A 75 5.553 -13.771 0.845 1.00 0.00 H new ATOM 0 HA LEU A 75 5.159 -14.622 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.979 -14.288 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.331 -12.969 2.664 1.00 0.00 H new ATOM 0 HG LEU A 75 2.860 -14.814 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.069 -16.353 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.595 -16.678 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.270 -15.830 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.524 -14.050 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.690 -13.380 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.656 -12.711 1.035 1.00 0.00 H new ATOM 1108 N SER A 76 4.882 -16.944 2.874 1.00 0.00 N ATOM 1109 CA SER A 76 4.987 -18.324 2.426 1.00 0.00 C ATOM 1110 C SER A 76 3.741 -18.710 1.627 1.00 0.00 C ATOM 1111 O SER A 76 2.621 -18.389 2.021 1.00 0.00 O ATOM 1112 CB SER A 76 5.174 -19.273 3.610 1.00 0.00 C ATOM 1113 OG SER A 76 5.714 -20.528 3.207 1.00 0.00 O ATOM 0 H SER A 76 4.803 -16.828 3.884 1.00 0.00 H new ATOM 0 HA SER A 76 5.863 -18.411 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.836 -18.812 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.215 -19.432 4.102 1.00 0.00 H new ATOM 0 HG SER A 76 5.820 -21.106 3.992 1.00 0.00 H new ATOM 1119 N GLN A 77 3.978 -19.396 0.519 1.00 0.00 N ATOM 1120 CA GLN A 77 2.889 -19.832 -0.338 1.00 0.00 C ATOM 1121 C GLN A 77 1.908 -20.703 0.449 1.00 0.00 C ATOM 1122 O GLN A 77 0.708 -20.691 0.178 1.00 0.00 O ATOM 1123 CB GLN A 77 3.419 -20.574 -1.566 1.00 0.00 C ATOM 1124 CG GLN A 77 2.272 -21.143 -2.404 1.00 0.00 C ATOM 1125 CD GLN A 77 1.723 -20.090 -3.367 1.00 0.00 C ATOM 1126 OE1 GLN A 77 1.922 -18.896 -3.203 1.00 0.00 O ATOM 1127 NE2 GLN A 77 1.025 -20.596 -4.381 1.00 0.00 N ATOM 0 H GLN A 77 4.908 -19.661 0.195 1.00 0.00 H new ATOM 0 HA GLN A 77 2.356 -18.949 -0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.016 -19.895 -2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.078 -21.382 -1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.622 -22.008 -2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.475 -21.491 -1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.897 -21.605 -4.459 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.619 -19.975 -5.081 1.00 0.00 H new ATOM 1136 N LYS A 78 2.455 -21.436 1.405 1.00 0.00 N ATOM 1137 CA LYS A 78 1.644 -22.312 2.233 1.00 0.00 C ATOM 1138 C LYS A 78 0.487 -21.510 2.835 1.00 0.00 C ATOM 1139 O LYS A 78 -0.670 -21.914 2.736 1.00 0.00 O ATOM 1140 CB LYS A 78 2.512 -23.019 3.276 1.00 0.00 C ATOM 1141 CG LYS A 78 1.918 -24.379 3.654 1.00 0.00 C ATOM 1142 CD LYS A 78 2.950 -25.244 4.381 1.00 0.00 C ATOM 1143 CE LYS A 78 2.264 -26.331 5.212 1.00 0.00 C ATOM 1144 NZ LYS A 78 2.250 -27.614 4.476 1.00 0.00 N ATOM 0 H LYS A 78 3.451 -21.442 1.626 1.00 0.00 H new ATOM 0 HA LYS A 78 1.202 -23.106 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.520 -23.155 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.598 -22.396 4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.045 -24.235 4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.575 -24.893 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.620 -25.704 3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.563 -24.618 5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.786 -26.455 6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.243 -26.028 5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.781 -28.341 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.732 -27.496 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.227 -27.909 4.274 1.00 0.00 H new ATOM 1158 N HIS A 79 0.843 -20.389 3.448 1.00 0.00 N ATOM 1159 CA HIS A 79 -0.150 -19.530 4.064 1.00 0.00 C ATOM 1160 C HIS A 79 -1.166 -19.079 3.014 1.00 0.00 C ATOM 1161 O HIS A 79 -2.363 -19.011 3.289 1.00 0.00 O ATOM 1162 CB HIS A 79 0.519 -18.354 4.782 1.00 0.00 C ATOM 1163 CG HIS A 79 0.835 -18.622 6.235 1.00 0.00 C ATOM 1164 ND1 HIS A 79 1.214 -19.869 6.704 1.00 0.00 N ATOM 1165 CD2 HIS A 79 0.823 -17.791 7.318 1.00 0.00 C ATOM 1166 CE1 HIS A 79 1.418 -19.780 8.009 1.00 0.00 C ATOM 1167 NE2 HIS A 79 1.175 -18.491 8.388 1.00 0.00 N ATOM 0 H HIS A 79 1.804 -20.058 3.530 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.692 -20.088 4.827 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.442 -18.101 4.261 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.133 -17.483 4.717 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.570 -16.741 7.306 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.723 -20.586 8.660 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.252 -18.127 9.338 1.00 0.00 H new ATOM 1175 N TRP A 80 -0.652 -18.784 1.829 1.00 0.00 N ATOM 1176 CA TRP A 80 -1.499 -18.343 0.733 1.00 0.00 C ATOM 1177 C TRP A 80 -2.496 -19.460 0.428 1.00 0.00 C ATOM 1178 O TRP A 80 -3.635 -19.194 0.047 1.00 0.00 O ATOM 1179 CB TRP A 80 -0.659 -17.942 -0.482 1.00 0.00 C ATOM 1180 CG TRP A 80 -1.484 -17.460 -1.675 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -2.130 -18.202 -2.587 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -1.730 -16.090 -2.055 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -2.769 -17.414 -3.520 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -2.518 -16.088 -3.187 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -1.300 -14.890 -1.461 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -2.945 -14.916 -3.823 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -1.734 -13.727 -2.108 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -2.528 -13.709 -3.248 1.00 0.00 C ATOM 0 H TRP A 80 0.341 -18.842 1.603 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.054 -17.447 1.011 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.032 -17.152 -0.188 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.055 -18.795 -0.791 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -2.147 -19.282 -2.590 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -3.324 -17.743 -4.310 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.683 -14.867 -0.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.562 -14.941 -4.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.431 -12.778 -1.692 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.822 -12.768 -3.689 1.00 0.00 H new ATOM 1199 N LEU A 81 -2.032 -20.690 0.605 1.00 0.00 N ATOM 1200 CA LEU A 81 -2.870 -21.850 0.351 1.00 0.00 C ATOM 1201 C LEU A 81 -4.024 -21.870 1.356 1.00 0.00 C ATOM 1202 O LEU A 81 -5.151 -22.216 1.005 1.00 0.00 O ATOM 1203 CB LEU A 81 -2.032 -23.129 0.354 1.00 0.00 C ATOM 1204 CG LEU A 81 -2.654 -24.343 -0.335 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -1.582 -25.197 -1.018 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -3.497 -25.157 0.645 1.00 0.00 C ATOM 0 H LEU A 81 -1.087 -20.908 0.921 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.312 -21.789 -0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.077 -22.914 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.816 -23.395 1.389 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.325 -23.985 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.052 -26.054 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.063 -24.599 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.867 -25.547 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.928 -26.015 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.868 -25.505 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.298 -24.533 1.042 1.00 0.00 H new ATOM 1218 N SER A 82 -3.700 -21.493 2.584 1.00 0.00 N ATOM 1219 CA SER A 82 -4.697 -21.464 3.645 1.00 0.00 C ATOM 1220 C SER A 82 -5.570 -20.215 3.506 1.00 0.00 C ATOM 1221 O SER A 82 -6.407 -19.940 4.363 1.00 0.00 O ATOM 1222 CB SER A 82 -4.035 -21.496 5.023 1.00 0.00 C ATOM 1223 OG SER A 82 -3.763 -22.829 5.452 1.00 0.00 O ATOM 0 H SER A 82 -2.764 -21.205 2.869 1.00 0.00 H new ATOM 0 HA SER A 82 -5.323 -22.351 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.105 -20.928 4.992 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.684 -21.006 5.749 1.00 0.00 H new ATOM 0 HG SER A 82 -3.339 -22.808 6.335 1.00 0.00 H new ATOM 1229 N ASP A 83 -5.348 -19.494 2.415 1.00 0.00 N ATOM 1230 CA ASP A 83 -6.104 -18.283 2.154 1.00 0.00 C ATOM 1231 C ASP A 83 -5.746 -17.224 3.199 1.00 0.00 C ATOM 1232 O ASP A 83 -5.381 -17.560 4.325 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.610 -18.544 2.242 1.00 0.00 C ATOM 1234 CG ASP A 83 -8.259 -18.141 3.567 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -8.710 -18.996 4.344 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -8.293 -16.871 3.793 1.00 0.00 O ATOM 0 H ASP A 83 -4.655 -19.727 1.703 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.854 -17.941 1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.105 -18.006 1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.790 -19.606 2.075 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.862 -15.971 2.789 1.00 0.00 N ATOM 1243 CA ARG A 84 -5.555 -14.862 3.676 1.00 0.00 C ATOM 1244 C ARG A 84 -5.932 -13.535 3.018 1.00 0.00 C ATOM 1245 O ARG A 84 -6.524 -13.518 1.940 1.00 0.00 O ATOM 1246 CB ARG A 84 -4.067 -14.840 4.035 1.00 0.00 C ATOM 1247 CG ARG A 84 -3.795 -15.667 5.292 1.00 0.00 C ATOM 1248 CD ARG A 84 -2.806 -16.800 4.999 1.00 0.00 C ATOM 1249 NE ARG A 84 -2.060 -17.149 6.229 1.00 0.00 N ATOM 1250 CZ ARG A 84 -2.592 -17.823 7.272 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -3.882 -18.225 7.242 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -1.834 -18.083 8.321 1.00 0.00 N ATOM 0 H ARG A 84 -6.164 -15.698 1.854 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.136 -14.997 4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.483 -15.233 3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.743 -13.812 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.395 -15.024 6.076 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.730 -16.083 5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.341 -17.674 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.111 -16.495 4.216 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.083 -16.863 6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.461 -18.020 6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.276 -18.733 8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.861 -17.776 8.336 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.221 -18.591 9.116 1.00 0.00 H new ATOM 1266 N THR A 85 -5.575 -12.452 3.693 1.00 0.00 N ATOM 1267 CA THR A 85 -5.868 -11.121 3.187 1.00 0.00 C ATOM 1268 C THR A 85 -4.677 -10.190 3.412 1.00 0.00 C ATOM 1269 O THR A 85 -4.447 -9.730 4.529 1.00 0.00 O ATOM 1270 CB THR A 85 -7.155 -10.635 3.857 1.00 0.00 C ATOM 1271 OG1 THR A 85 -8.179 -10.971 2.925 1.00 0.00 O ATOM 1272 CG2 THR A 85 -7.224 -9.110 3.953 1.00 0.00 C ATOM 0 H THR A 85 -5.085 -12.469 4.587 1.00 0.00 H new ATOM 0 HA THR A 85 -6.029 -11.134 2.109 1.00 0.00 H new ATOM 0 HB THR A 85 -7.230 -11.065 4.856 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.049 -10.693 3.280 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.156 -8.818 4.436 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.381 -8.744 4.539 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.184 -8.680 2.952 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.949 -9.940 2.332 1.00 0.00 N ATOM 1281 CA TYR A 86 -2.785 -9.071 2.398 1.00 0.00 C ATOM 1282 C TYR A 86 -3.062 -7.734 1.712 1.00 0.00 C ATOM 1283 O TYR A 86 -3.630 -7.695 0.622 1.00 0.00 O ATOM 1284 CB TYR A 86 -1.672 -9.800 1.641 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.988 -11.263 1.329 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.828 -11.580 0.281 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -1.429 -12.268 2.094 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -3.123 -12.960 -0.012 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -1.726 -13.647 1.801 1.00 0.00 C ATOM 1290 CZ TYR A 86 -2.557 -13.923 0.761 1.00 0.00 C ATOM 1291 OH TYR A 86 -2.838 -15.224 0.484 1.00 0.00 O ATOM 0 H TYR A 86 -4.143 -10.324 1.407 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.518 -8.863 3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -1.477 -9.274 0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.756 -9.754 2.230 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.264 -10.795 -0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.769 -12.020 2.912 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.780 -13.223 -0.828 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.299 -14.443 2.393 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.865 -15.353 -0.487 1.00 0.00 H new ATOM 1301 N THR A 87 -2.648 -6.666 2.378 1.00 0.00 N ATOM 1302 CA THR A 87 -2.844 -5.328 1.846 1.00 0.00 C ATOM 1303 C THR A 87 -1.718 -4.400 2.307 1.00 0.00 C ATOM 1304 O THR A 87 -1.471 -4.266 3.506 1.00 0.00 O ATOM 1305 CB THR A 87 -4.236 -4.851 2.267 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.940 -6.053 2.565 1.00 0.00 O ATOM 1307 CG2 THR A 87 -5.021 -4.240 1.104 1.00 0.00 C ATOM 0 H THR A 87 -2.177 -6.700 3.282 1.00 0.00 H new ATOM 0 HA THR A 87 -2.799 -5.325 0.757 1.00 0.00 H new ATOM 0 HB THR A 87 -4.141 -4.118 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.853 -5.836 2.848 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.001 -3.918 1.456 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.477 -3.382 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.145 -4.985 0.318 1.00 0.00 H new ATOM 1315 N CYS A 88 -1.067 -3.783 1.335 1.00 0.00 N ATOM 1316 CA CYS A 88 0.027 -2.871 1.625 1.00 0.00 C ATOM 1317 C CYS A 88 -0.567 -1.498 1.953 1.00 0.00 C ATOM 1318 O CYS A 88 -0.885 -0.725 1.048 1.00 0.00 O ATOM 1319 CB CYS A 88 1.028 -2.798 0.471 1.00 0.00 C ATOM 1320 SG CYS A 88 0.512 -1.741 -0.928 1.00 0.00 S ATOM 0 H CYS A 88 -1.275 -3.896 0.343 1.00 0.00 H new ATOM 0 HA CYS A 88 0.590 -3.238 2.483 1.00 0.00 H new ATOM 0 HB2 CYS A 88 1.978 -2.428 0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.206 -3.807 0.099 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.695 -1.236 3.244 1.00 0.00 N ATOM 1326 CA GLN A 89 -1.244 0.030 3.700 1.00 0.00 C ATOM 1327 C GLN A 89 -0.128 1.062 3.870 1.00 0.00 C ATOM 1328 O GLN A 89 0.617 1.019 4.847 1.00 0.00 O ATOM 1329 CB GLN A 89 -2.029 -0.151 5.003 1.00 0.00 C ATOM 1330 CG GLN A 89 -3.051 0.973 5.185 1.00 0.00 C ATOM 1331 CD GLN A 89 -3.495 1.076 6.646 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -3.178 0.242 7.478 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -4.243 2.143 6.911 1.00 0.00 N ATOM 0 H GLN A 89 -0.428 -1.879 3.990 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.938 0.397 2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.539 -1.114 4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.341 -0.163 5.848 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.617 1.920 4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.917 0.789 4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.472 2.803 6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.588 2.302 7.858 1.00 0.00 H new ATOM 1342 N VAL A 90 -0.049 1.963 2.903 1.00 0.00 N ATOM 1343 CA VAL A 90 0.965 3.005 2.934 1.00 0.00 C ATOM 1344 C VAL A 90 0.374 4.266 3.565 1.00 0.00 C ATOM 1345 O VAL A 90 -0.662 4.761 3.121 1.00 0.00 O ATOM 1346 CB VAL A 90 1.512 3.242 1.525 1.00 0.00 C ATOM 1347 CG1 VAL A 90 2.129 4.638 1.406 1.00 0.00 C ATOM 1348 CG2 VAL A 90 2.524 2.160 1.141 1.00 0.00 C ATOM 0 H VAL A 90 -0.669 1.994 2.094 1.00 0.00 H new ATOM 0 HA VAL A 90 1.810 2.699 3.550 1.00 0.00 H new ATOM 0 HB VAL A 90 0.678 3.183 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.511 4.782 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.370 5.391 1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.947 4.736 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.898 2.352 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.356 2.173 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.041 1.183 1.169 1.00 0.00 H new ATOM 1358 N THR A 91 1.056 4.753 4.591 1.00 0.00 N ATOM 1359 CA THR A 91 0.613 5.948 5.288 1.00 0.00 C ATOM 1360 C THR A 91 1.368 7.175 4.776 1.00 0.00 C ATOM 1361 O THR A 91 2.346 7.045 4.043 1.00 0.00 O ATOM 1362 CB THR A 91 0.784 5.709 6.790 1.00 0.00 C ATOM 1363 OG1 THR A 91 -0.506 5.292 7.226 1.00 0.00 O ATOM 1364 CG2 THR A 91 1.038 7.006 7.563 1.00 0.00 C ATOM 0 H THR A 91 1.914 4.340 4.957 1.00 0.00 H new ATOM 0 HA THR A 91 -0.440 6.152 5.095 1.00 0.00 H new ATOM 0 HB THR A 91 1.611 5.019 6.955 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.484 5.114 8.190 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.152 6.781 8.623 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.948 7.478 7.192 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.195 7.683 7.424 1.00 0.00 H new ATOM 1372 N TYR A 92 0.883 8.339 5.182 1.00 0.00 N ATOM 1373 CA TYR A 92 1.500 9.590 4.774 1.00 0.00 C ATOM 1374 C TYR A 92 1.404 10.639 5.884 1.00 0.00 C ATOM 1375 O TYR A 92 0.559 10.530 6.774 1.00 0.00 O ATOM 1376 CB TYR A 92 0.705 10.076 3.560 1.00 0.00 C ATOM 1377 CG TYR A 92 0.807 9.157 2.343 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.216 7.908 2.368 1.00 0.00 C ATOM 1379 CD2 TYR A 92 1.486 9.574 1.216 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.311 7.044 1.220 1.00 0.00 C ATOM 1381 CE2 TYR A 92 1.582 8.708 0.070 1.00 0.00 C ATOM 1382 CZ TYR A 92 0.989 7.486 0.129 1.00 0.00 C ATOM 1383 OH TYR A 92 1.078 6.669 -0.953 1.00 0.00 O ATOM 0 H TYR A 92 0.070 8.442 5.789 1.00 0.00 H new ATOM 0 HA TYR A 92 2.556 9.441 4.551 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.343 10.175 3.841 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.056 11.070 3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.317 7.580 3.248 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.946 10.551 1.194 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.147 6.066 1.226 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.113 9.022 -0.816 1.00 0.00 H new ATOM 0 HH TYR A 92 1.356 7.191 -1.735 1.00 0.00 H new ATOM 1393 N GLN A 93 2.278 11.627 5.798 1.00 0.00 N ATOM 1394 CA GLN A 93 2.303 12.695 6.786 1.00 0.00 C ATOM 1395 C GLN A 93 0.884 13.193 7.063 1.00 0.00 C ATOM 1396 O GLN A 93 0.598 13.685 8.153 1.00 0.00 O ATOM 1397 CB GLN A 93 3.207 13.842 6.332 1.00 0.00 C ATOM 1398 CG GLN A 93 4.437 13.311 5.591 1.00 0.00 C ATOM 1399 CD GLN A 93 5.671 14.160 5.900 1.00 0.00 C ATOM 1400 OE1 GLN A 93 6.600 13.729 6.566 1.00 0.00 O ATOM 1401 NE2 GLN A 93 5.634 15.383 5.381 1.00 0.00 N ATOM 0 H GLN A 93 2.976 11.713 5.059 1.00 0.00 H new ATOM 0 HA GLN A 93 2.716 12.297 7.713 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.648 14.514 5.681 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.523 14.425 7.197 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.621 12.276 5.880 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.249 13.314 4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.826 15.680 4.834 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.413 16.024 5.530 1.00 0.00 H new ATOM 1410 N GLY A 94 0.031 13.046 6.058 1.00 0.00 N ATOM 1411 CA GLY A 94 -1.352 13.475 6.180 1.00 0.00 C ATOM 1412 C GLY A 94 -2.243 12.741 5.178 1.00 0.00 C ATOM 1413 O GLY A 94 -3.191 13.316 4.646 1.00 0.00 O ATOM 0 H GLY A 94 0.272 12.636 5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.707 13.287 7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.419 14.550 6.013 1.00 0.00 H new ATOM 1417 N HIS A 95 -1.910 11.478 4.950 1.00 0.00 N ATOM 1418 CA HIS A 95 -2.668 10.660 4.023 1.00 0.00 C ATOM 1419 C HIS A 95 -2.416 9.179 4.320 1.00 0.00 C ATOM 1420 O HIS A 95 -1.573 8.846 5.149 1.00 0.00 O ATOM 1421 CB HIS A 95 -2.346 11.039 2.576 1.00 0.00 C ATOM 1422 CG HIS A 95 -3.490 10.822 1.614 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -3.395 10.004 0.502 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -4.760 11.325 1.612 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -4.555 10.023 -0.134 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -5.401 10.842 0.554 1.00 0.00 N ATOM 0 H HIS A 95 -1.124 11.003 5.393 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.734 10.844 4.157 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.051 12.088 2.543 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.488 10.456 2.241 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.173 12.001 2.346 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.791 9.484 -1.040 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -6.366 11.049 0.298 1.00 0.00 H new ATOM 1434 N THR A 96 -3.162 8.334 3.623 1.00 0.00 N ATOM 1435 CA THR A 96 -3.030 6.898 3.801 1.00 0.00 C ATOM 1436 C THR A 96 -3.610 6.155 2.597 1.00 0.00 C ATOM 1437 O THR A 96 -4.318 6.745 1.781 1.00 0.00 O ATOM 1438 CB THR A 96 -3.700 6.523 5.127 1.00 0.00 C ATOM 1439 OG1 THR A 96 -3.212 5.213 5.402 1.00 0.00 O ATOM 1440 CG2 THR A 96 -5.211 6.335 4.986 1.00 0.00 C ATOM 0 H THR A 96 -3.859 8.616 2.934 1.00 0.00 H new ATOM 0 HA THR A 96 -1.983 6.601 3.852 1.00 0.00 H new ATOM 0 HB THR A 96 -3.498 7.296 5.868 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.392 5.275 5.935 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.637 6.070 5.954 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.662 7.262 4.633 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.413 5.538 4.271 1.00 0.00 H new ATOM 1448 N PHE A 97 -3.288 4.874 2.521 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.768 4.044 1.428 1.00 0.00 C ATOM 1450 C PHE A 97 -3.491 2.563 1.701 1.00 0.00 C ATOM 1451 O PHE A 97 -2.743 2.226 2.620 1.00 0.00 O ATOM 1452 CB PHE A 97 -3.003 4.469 0.174 1.00 0.00 C ATOM 1453 CG PHE A 97 -3.811 4.347 -1.118 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -3.931 3.141 -1.733 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -4.410 5.447 -1.652 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -4.683 3.028 -2.934 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -5.161 5.332 -2.852 1.00 0.00 C ATOM 1458 CZ PHE A 97 -5.281 4.126 -3.469 1.00 0.00 C ATOM 0 H PHE A 97 -2.700 4.389 3.198 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.844 4.170 1.311 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.679 5.503 0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.103 3.861 0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.455 2.269 -1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.314 6.406 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.780 2.069 -3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.638 6.204 -3.275 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.850 4.040 -4.383 1.00 0.00 H new ATOM 1468 N GLU A 98 -4.108 1.719 0.890 1.00 0.00 N ATOM 1469 CA GLU A 98 -3.938 0.283 1.032 1.00 0.00 C ATOM 1470 C GLU A 98 -4.241 -0.422 -0.293 1.00 0.00 C ATOM 1471 O GLU A 98 -5.289 -0.189 -0.898 1.00 0.00 O ATOM 1472 CB GLU A 98 -4.816 -0.262 2.157 1.00 0.00 C ATOM 1473 CG GLU A 98 -4.156 -1.469 2.831 1.00 0.00 C ATOM 1474 CD GLU A 98 -4.878 -1.837 4.129 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -4.694 -1.161 5.152 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -5.653 -2.863 4.051 1.00 0.00 O ATOM 0 H GLU A 98 -4.728 2.002 0.131 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.900 0.083 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.994 0.520 2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.788 -0.550 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.167 -2.321 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.111 -1.244 3.043 1.00 0.00 H new ATOM 1484 N ASP A 99 -3.308 -1.267 -0.705 1.00 0.00 N ATOM 1485 CA ASP A 99 -3.466 -2.007 -1.945 1.00 0.00 C ATOM 1486 C ASP A 99 -2.646 -3.295 -1.872 1.00 0.00 C ATOM 1487 O ASP A 99 -1.450 -3.261 -1.586 1.00 0.00 O ATOM 1488 CB ASP A 99 -2.961 -1.193 -3.138 1.00 0.00 C ATOM 1489 CG ASP A 99 -3.961 -0.180 -3.702 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -5.136 -0.157 -3.306 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -3.483 0.619 -4.593 1.00 0.00 O ATOM 0 H ASP A 99 -2.441 -1.456 -0.203 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.526 -2.223 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.058 -0.661 -2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.677 -1.881 -3.934 1.00 0.00 H new ATOM 1497 N SER A 100 -3.321 -4.406 -2.135 1.00 0.00 N ATOM 1498 CA SER A 100 -2.670 -5.704 -2.103 1.00 0.00 C ATOM 1499 C SER A 100 -3.566 -6.756 -2.758 1.00 0.00 C ATOM 1500 O SER A 100 -4.233 -6.476 -3.752 1.00 0.00 O ATOM 1501 CB SER A 100 -2.330 -6.113 -0.669 1.00 0.00 C ATOM 1502 OG SER A 100 -1.680 -7.381 -0.616 1.00 0.00 O ATOM 0 H SER A 100 -4.313 -4.433 -2.371 1.00 0.00 H new ATOM 0 HA SER A 100 -1.737 -5.633 -2.663 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.687 -5.357 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.244 -6.149 -0.076 1.00 0.00 H new ATOM 0 HG SER A 100 -0.869 -7.310 -0.071 1.00 0.00 H new ATOM 1508 N THR A 101 -3.554 -7.945 -2.174 1.00 0.00 N ATOM 1509 CA THR A 101 -4.359 -9.041 -2.688 1.00 0.00 C ATOM 1510 C THR A 101 -5.105 -9.735 -1.548 1.00 0.00 C ATOM 1511 O THR A 101 -4.925 -9.386 -0.382 1.00 0.00 O ATOM 1512 CB THR A 101 -3.435 -9.978 -3.472 1.00 0.00 C ATOM 1513 OG1 THR A 101 -4.302 -11.007 -3.936 1.00 0.00 O ATOM 1514 CG2 THR A 101 -2.437 -10.707 -2.569 1.00 0.00 C ATOM 0 H THR A 101 -2.999 -8.174 -1.349 1.00 0.00 H new ATOM 0 HA THR A 101 -5.132 -8.681 -3.367 1.00 0.00 H new ATOM 0 HB THR A 101 -2.891 -9.408 -4.225 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.965 -11.361 -4.785 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.806 -11.358 -3.175 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.814 -9.977 -2.052 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.979 -11.306 -1.837 1.00 0.00 H new ATOM 1522 N LYS A 102 -5.923 -10.706 -1.924 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.696 -11.453 -0.948 1.00 0.00 C ATOM 1524 C LYS A 102 -7.324 -12.674 -1.625 1.00 0.00 C ATOM 1525 O LYS A 102 -7.704 -12.613 -2.792 1.00 0.00 O ATOM 1526 CB LYS A 102 -7.715 -10.542 -0.258 1.00 0.00 C ATOM 1527 CG LYS A 102 -8.722 -9.985 -1.265 1.00 0.00 C ATOM 1528 CD LYS A 102 -8.399 -8.530 -1.614 1.00 0.00 C ATOM 1529 CE LYS A 102 -9.628 -7.821 -2.189 1.00 0.00 C ATOM 1530 NZ LYS A 102 -9.286 -6.435 -2.583 1.00 0.00 N ATOM 0 H LYS A 102 -6.067 -10.993 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 102 -6.047 -11.825 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -8.241 -11.100 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.197 -9.720 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.710 -10.592 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.729 -10.049 -0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.055 -8.005 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.584 -8.497 -2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.001 -8.370 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.428 -7.809 -1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.129 -5.966 -2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.951 -5.910 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.537 -6.454 -3.305 1.00 0.00 H new ATOM 1544 N LYS A 103 -7.412 -13.754 -0.863 1.00 0.00 N ATOM 1545 CA LYS A 103 -7.987 -14.986 -1.374 1.00 0.00 C ATOM 1546 C LYS A 103 -8.630 -15.762 -0.222 1.00 0.00 C ATOM 1547 O LYS A 103 -8.336 -15.507 0.943 1.00 0.00 O ATOM 1548 CB LYS A 103 -6.936 -15.788 -2.145 1.00 0.00 C ATOM 1549 CG LYS A 103 -6.951 -17.261 -1.724 1.00 0.00 C ATOM 1550 CD LYS A 103 -5.891 -18.060 -2.482 1.00 0.00 C ATOM 1551 CE LYS A 103 -6.414 -18.509 -3.847 1.00 0.00 C ATOM 1552 NZ LYS A 103 -5.515 -19.525 -4.438 1.00 0.00 N ATOM 0 H LYS A 103 -7.094 -13.801 0.105 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.778 -14.768 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.127 -15.710 -3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.947 -15.365 -1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.771 -17.338 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.936 -17.687 -1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.997 -17.451 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.599 -18.931 -1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.418 -18.921 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.490 -17.650 -4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.611 -19.513 -5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.531 -19.310 -4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.770 -20.466 -4.077 1.00 0.00 H new ATOM 1566 N SER A 104 -9.499 -16.692 -0.591 1.00 0.00 N ATOM 1567 CA SER A 104 -10.187 -17.506 0.396 1.00 0.00 C ATOM 1568 C SER A 104 -10.018 -18.990 0.062 1.00 0.00 C ATOM 1569 O SER A 104 -10.977 -19.757 0.125 1.00 0.00 O ATOM 1570 CB SER A 104 -11.671 -17.145 0.470 1.00 0.00 C ATOM 1571 OG SER A 104 -12.258 -17.544 1.705 1.00 0.00 O ATOM 0 H SER A 104 -9.742 -16.900 -1.560 1.00 0.00 H new ATOM 0 HA SER A 104 -9.743 -17.307 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.789 -16.069 0.344 1.00 0.00 H new ATOM 0 HB3 SER A 104 -12.201 -17.622 -0.354 1.00 0.00 H new ATOM 0 HG SER A 104 -13.206 -17.294 1.713 1.00 0.00 H new ATOM 1577 N ALA A 105 -8.789 -19.350 -0.286 1.00 0.00 N ATOM 1578 CA ALA A 105 -8.481 -20.726 -0.629 1.00 0.00 C ATOM 1579 C ALA A 105 -9.670 -21.337 -1.376 1.00 0.00 C ATOM 1580 O ALA A 105 -9.524 -22.350 -2.059 1.00 0.00 O ATOM 1581 CB ALA A 105 -8.127 -21.502 0.638 1.00 0.00 C ATOM 0 H ALA A 105 -7.996 -18.710 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.616 -20.773 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.896 -22.535 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.260 -21.045 1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.972 -21.481 1.326 1.00 0.00 H new TER 1588 ALA A 105