USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 758 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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0 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 180:sc= -0.134 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -11.8! C(o=-12!,f=-17!) USER MOD Single : A 30 CYS SG : rot 180:sc= -4.26! USER MOD Single : A 33 SER OG : rot -115:sc= 0.18 USER MOD Single : A 37 THR OG1 : rot -100:sc= -2.14 USER MOD Single : A 40 HIS : no HD1:sc= -4.14! C(o=-4.1!,f=-3.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0254 K(o=-0.025,f=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.417) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 176:sc= 0.0814 USER MOD Single : A 61 THR OG1 : rot 8:sc= 0.459 USER MOD Single : A 62 MET CE :methyl 156:sc= -0.111 (180deg=-0.586) USER MOD Single : A 64 MET CE :methyl 145:sc= -0.0404 (180deg=-1.69) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 162:sc= -0.0293 (180deg=-0.329) USER MOD Single : A 78 TYR OH : rot 100:sc= 0.465 USER MOD Single : A 80 CYS SG : rot 42:sc= -4.49! USER MOD Single : A 85 SER OG : rot -146:sc= -1.31 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -80:sc= -0.0526 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -3.06! K(o=-3.1!,f=-2.4) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.930 30.608 3.024 1.00 0.00 N ATOM 2 CA GLY A 1 14.507 29.946 1.869 1.00 0.00 C ATOM 3 C GLY A 1 14.365 30.765 0.601 1.00 0.00 C ATOM 4 O GLY A 1 13.317 30.747 -0.044 1.00 0.00 O ATOM 0 H1 GLY A 1 14.052 30.008 3.865 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.407 31.519 3.176 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.916 30.771 2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.563 29.751 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.024 28.979 1.729 1.00 0.00 H new ATOM 8 N SER A 2 15.422 31.487 0.243 1.00 0.00 N ATOM 9 CA SER A 2 15.409 32.321 -0.953 1.00 0.00 C ATOM 10 C SER A 2 16.191 31.661 -2.084 1.00 0.00 C ATOM 11 O SER A 2 15.725 31.598 -3.222 1.00 0.00 O ATOM 12 CB SER A 2 15.999 33.699 -0.647 1.00 0.00 C ATOM 13 OG SER A 2 15.199 34.400 0.290 1.00 0.00 O ATOM 0 H SER A 2 16.298 31.511 0.764 1.00 0.00 H new ATOM 0 HA SER A 2 14.373 32.440 -1.271 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.010 33.586 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.077 34.277 -1.568 1.00 0.00 H new ATOM 0 HG SER A 2 15.598 35.277 0.470 1.00 0.00 H new ATOM 19 N SER A 3 17.383 31.169 -1.763 1.00 0.00 N ATOM 20 CA SER A 3 18.233 30.516 -2.752 1.00 0.00 C ATOM 21 C SER A 3 18.080 29.000 -2.684 1.00 0.00 C ATOM 22 O SER A 3 18.866 28.314 -2.032 1.00 0.00 O ATOM 23 CB SER A 3 19.697 30.903 -2.533 1.00 0.00 C ATOM 24 OG SER A 3 19.859 32.311 -2.539 1.00 0.00 O ATOM 0 H SER A 3 17.782 31.210 -0.825 1.00 0.00 H new ATOM 0 HA SER A 3 17.920 30.851 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.045 30.498 -1.583 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.314 30.459 -3.314 1.00 0.00 H new ATOM 0 HG SER A 3 20.803 32.532 -2.395 1.00 0.00 H new ATOM 30 N GLY A 4 17.060 28.483 -3.363 1.00 0.00 N ATOM 31 CA GLY A 4 16.821 27.052 -3.367 1.00 0.00 C ATOM 32 C GLY A 4 15.443 26.695 -3.887 1.00 0.00 C ATOM 33 O GLY A 4 14.595 27.569 -4.067 1.00 0.00 O ATOM 0 H GLY A 4 16.395 29.030 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.576 26.563 -3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.935 26.665 -2.354 1.00 0.00 H new ATOM 37 N SER A 5 15.218 25.408 -4.130 1.00 0.00 N ATOM 38 CA SER A 5 13.934 24.939 -4.637 1.00 0.00 C ATOM 39 C SER A 5 12.793 25.393 -3.732 1.00 0.00 C ATOM 40 O SER A 5 13.019 25.845 -2.610 1.00 0.00 O ATOM 41 CB SER A 5 13.934 23.413 -4.751 1.00 0.00 C ATOM 42 OG SER A 5 14.225 22.808 -3.503 1.00 0.00 O ATOM 0 H SER A 5 15.908 24.671 -3.984 1.00 0.00 H new ATOM 0 HA SER A 5 13.782 25.371 -5.626 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.962 23.072 -5.106 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.671 23.101 -5.491 1.00 0.00 H new ATOM 0 HG SER A 5 14.217 21.833 -3.602 1.00 0.00 H new ATOM 48 N SER A 6 11.567 25.268 -4.229 1.00 0.00 N ATOM 49 CA SER A 6 10.389 25.669 -3.468 1.00 0.00 C ATOM 50 C SER A 6 9.147 24.934 -3.961 1.00 0.00 C ATOM 51 O SER A 6 9.189 24.226 -4.966 1.00 0.00 O ATOM 52 CB SER A 6 10.177 27.181 -3.574 1.00 0.00 C ATOM 53 OG SER A 6 9.173 27.619 -2.676 1.00 0.00 O ATOM 0 H SER A 6 11.363 24.892 -5.155 1.00 0.00 H new ATOM 0 HA SER A 6 10.555 25.405 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.112 27.698 -3.359 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.895 27.441 -4.594 1.00 0.00 H new ATOM 0 HG SER A 6 9.058 28.588 -2.762 1.00 0.00 H new ATOM 59 N GLY A 7 8.040 25.108 -3.245 1.00 0.00 N ATOM 60 CA GLY A 7 6.801 24.456 -3.625 1.00 0.00 C ATOM 61 C GLY A 7 6.386 23.381 -2.640 1.00 0.00 C ATOM 62 O GLY A 7 7.216 22.785 -1.953 1.00 0.00 O ATOM 0 H GLY A 7 7.980 25.689 -2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.009 25.202 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.916 24.013 -4.614 1.00 0.00 H new ATOM 66 N PRO A 8 5.073 23.121 -2.560 1.00 0.00 N ATOM 67 CA PRO A 8 4.519 22.110 -1.653 1.00 0.00 C ATOM 68 C PRO A 8 4.874 20.691 -2.082 1.00 0.00 C ATOM 69 O PRO A 8 5.478 20.482 -3.133 1.00 0.00 O ATOM 70 CB PRO A 8 3.009 22.337 -1.750 1.00 0.00 C ATOM 71 CG PRO A 8 2.803 22.958 -3.088 1.00 0.00 C ATOM 72 CD PRO A 8 4.026 23.793 -3.349 1.00 0.00 C ATOM 0 HA PRO A 8 4.914 22.208 -0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.461 21.399 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.655 22.990 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.679 22.196 -3.857 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.902 23.571 -3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.276 23.819 -4.410 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.883 24.826 -3.030 1.00 0.00 H new ATOM 80 N ALA A 9 4.494 19.717 -1.261 1.00 0.00 N ATOM 81 CA ALA A 9 4.770 18.317 -1.556 1.00 0.00 C ATOM 82 C ALA A 9 3.525 17.612 -2.085 1.00 0.00 C ATOM 83 O ALA A 9 3.461 16.383 -2.114 1.00 0.00 O ATOM 84 CB ALA A 9 5.293 17.609 -0.316 1.00 0.00 C ATOM 0 H ALA A 9 3.994 19.873 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 9 5.535 18.279 -2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.495 16.564 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.213 18.090 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.547 17.665 0.477 1.00 0.00 H new ATOM 90 N ALA A 10 2.538 18.398 -2.502 1.00 0.00 N ATOM 91 CA ALA A 10 1.296 17.848 -3.031 1.00 0.00 C ATOM 92 C ALA A 10 1.558 16.595 -3.859 1.00 0.00 C ATOM 93 O ALA A 10 2.657 16.404 -4.381 1.00 0.00 O ATOM 94 CB ALA A 10 0.570 18.893 -3.866 1.00 0.00 C ATOM 0 H ALA A 10 2.574 19.417 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 10 0.664 17.568 -2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.356 18.469 -4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.340 19.759 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.205 19.201 -4.697 1.00 0.00 H new ATOM 100 N ILE A 11 0.544 15.745 -3.975 1.00 0.00 N ATOM 101 CA ILE A 11 0.666 14.511 -4.740 1.00 0.00 C ATOM 102 C ILE A 11 0.191 14.705 -6.176 1.00 0.00 C ATOM 103 O ILE A 11 -0.966 15.050 -6.417 1.00 0.00 O ATOM 104 CB ILE A 11 -0.139 13.366 -4.096 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.245 13.211 -2.623 1.00 0.00 C ATOM 106 CG2 ILE A 11 0.094 12.065 -4.849 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.882 12.691 -1.757 1.00 0.00 C ATOM 0 H ILE A 11 -0.372 15.888 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 11 1.723 14.245 -4.742 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.200 13.610 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.094 12.532 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.573 14.176 -2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.482 11.266 -4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.223 12.182 -5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.154 11.813 -4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.539 12.606 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.725 13.381 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.195 11.711 -2.117 1.00 0.00 H new ATOM 119 N ILE A 12 1.092 14.480 -7.127 1.00 0.00 N ATOM 120 CA ILE A 12 0.764 14.627 -8.539 1.00 0.00 C ATOM 121 C ILE A 12 0.364 13.290 -9.153 1.00 0.00 C ATOM 122 O ILE A 12 -0.516 13.226 -10.012 1.00 0.00 O ATOM 123 CB ILE A 12 1.947 15.211 -9.334 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.274 14.741 -8.734 1.00 0.00 C ATOM 125 CG2 ILE A 12 1.875 16.730 -9.351 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.797 15.647 -7.642 1.00 0.00 C ATOM 0 H ILE A 12 2.054 14.195 -6.945 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.078 15.317 -8.597 1.00 0.00 H new ATOM 0 HB ILE A 12 1.888 14.853 -10.362 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.146 13.736 -8.331 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.019 14.674 -9.527 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.718 17.128 -9.916 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.943 17.045 -9.819 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.913 17.108 -8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.740 15.253 -7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.957 16.647 -8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.071 15.695 -6.830 1.00 0.00 H new ATOM 138 N LYS A 13 1.015 12.221 -8.706 1.00 0.00 N ATOM 139 CA LYS A 13 0.727 10.883 -9.208 1.00 0.00 C ATOM 140 C LYS A 13 -0.020 10.059 -8.164 1.00 0.00 C ATOM 141 O LYS A 13 0.576 9.456 -7.271 1.00 0.00 O ATOM 142 CB LYS A 13 2.024 10.173 -9.601 1.00 0.00 C ATOM 143 CG LYS A 13 2.812 10.897 -10.679 1.00 0.00 C ATOM 144 CD LYS A 13 3.958 10.046 -11.199 1.00 0.00 C ATOM 145 CE LYS A 13 4.631 10.691 -12.401 1.00 0.00 C ATOM 146 NZ LYS A 13 3.892 10.417 -13.664 1.00 0.00 N ATOM 0 H LYS A 13 1.747 12.256 -7.996 1.00 0.00 H new ATOM 0 HA LYS A 13 0.093 10.982 -10.089 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.651 10.064 -8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.787 9.168 -9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.148 11.157 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.204 11.832 -10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.691 9.898 -10.406 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.584 9.060 -11.476 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.697 11.768 -12.245 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.651 10.318 -12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.383 10.874 -14.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.850 9.391 -13.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.926 10.795 -13.590 1.00 0.00 H new ATOM 160 N PRO A 14 -1.356 10.031 -8.276 1.00 0.00 N ATOM 161 CA PRO A 14 -2.213 9.283 -7.351 1.00 0.00 C ATOM 162 C PRO A 14 -2.068 7.774 -7.519 1.00 0.00 C ATOM 163 O PRO A 14 -1.629 7.295 -8.566 1.00 0.00 O ATOM 164 CB PRO A 14 -3.625 9.731 -7.734 1.00 0.00 C ATOM 165 CG PRO A 14 -3.515 10.153 -9.159 1.00 0.00 C ATOM 166 CD PRO A 14 -2.134 10.727 -9.315 1.00 0.00 C ATOM 0 HA PRO A 14 -1.957 9.479 -6.310 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.343 8.920 -7.616 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.965 10.552 -7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.664 9.306 -9.829 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.276 10.893 -9.407 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.732 10.541 -10.311 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.128 11.807 -9.166 1.00 0.00 H new ATOM 174 N LEU A 15 -2.441 7.030 -6.484 1.00 0.00 N ATOM 175 CA LEU A 15 -2.353 5.574 -6.517 1.00 0.00 C ATOM 176 C LEU A 15 -3.323 4.994 -7.541 1.00 0.00 C ATOM 177 O LEU A 15 -4.018 5.731 -8.239 1.00 0.00 O ATOM 178 CB LEU A 15 -2.648 4.994 -5.133 1.00 0.00 C ATOM 179 CG LEU A 15 -1.962 5.686 -3.955 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.727 5.431 -2.666 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.521 5.214 -3.824 1.00 0.00 C ATOM 0 H LEU A 15 -2.807 7.411 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.339 5.302 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.725 5.026 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.356 3.944 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.956 6.760 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.223 5.931 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.741 5.819 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.766 4.359 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.049 5.717 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.505 4.137 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.024 5.450 -4.738 1.00 0.00 H new ATOM 193 N GLU A 16 -3.366 3.668 -7.623 1.00 0.00 N ATOM 194 CA GLU A 16 -4.253 2.989 -8.561 1.00 0.00 C ATOM 195 C GLU A 16 -4.791 1.694 -7.961 1.00 0.00 C ATOM 196 O GLU A 16 -4.117 1.037 -7.167 1.00 0.00 O ATOM 197 CB GLU A 16 -3.516 2.690 -9.868 1.00 0.00 C ATOM 198 CG GLU A 16 -2.969 3.930 -10.556 1.00 0.00 C ATOM 199 CD GLU A 16 -1.566 4.279 -10.100 1.00 0.00 C ATOM 200 OE1 GLU A 16 -0.935 3.439 -9.425 1.00 0.00 O ATOM 201 OE2 GLU A 16 -1.098 5.392 -10.420 1.00 0.00 O ATOM 0 H GLU A 16 -2.798 3.043 -7.052 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.094 3.650 -8.769 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.693 2.006 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.195 2.177 -10.549 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.968 3.772 -11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.631 4.773 -10.358 1.00 0.00 H new ATOM 208 N ASP A 17 -6.011 1.333 -8.344 1.00 0.00 N ATOM 209 CA ASP A 17 -6.641 0.117 -7.845 1.00 0.00 C ATOM 210 C ASP A 17 -5.773 -1.103 -8.134 1.00 0.00 C ATOM 211 O ASP A 17 -5.474 -1.404 -9.289 1.00 0.00 O ATOM 212 CB ASP A 17 -8.022 -0.064 -8.477 1.00 0.00 C ATOM 213 CG ASP A 17 -9.059 0.866 -7.878 1.00 0.00 C ATOM 214 OD1 ASP A 17 -8.787 2.081 -7.793 1.00 0.00 O ATOM 215 OD2 ASP A 17 -10.143 0.378 -7.493 1.00 0.00 O ATOM 0 H ASP A 17 -6.583 1.866 -8.999 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.754 0.213 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.954 0.115 -9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.346 -1.097 -8.347 1.00 0.00 H new ATOM 220 N GLN A 18 -5.370 -1.801 -7.076 1.00 0.00 N ATOM 221 CA GLN A 18 -4.534 -2.987 -7.217 1.00 0.00 C ATOM 222 C GLN A 18 -5.363 -4.258 -7.068 1.00 0.00 C ATOM 223 O GLN A 18 -6.222 -4.351 -6.191 1.00 0.00 O ATOM 224 CB GLN A 18 -3.411 -2.971 -6.179 1.00 0.00 C ATOM 225 CG GLN A 18 -2.148 -2.276 -6.659 1.00 0.00 C ATOM 226 CD GLN A 18 -2.437 -0.981 -7.394 1.00 0.00 C ATOM 227 OE1 GLN A 18 -3.219 -0.956 -8.345 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.808 0.102 -6.955 1.00 0.00 N ATOM 0 H GLN A 18 -5.609 -1.565 -6.113 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.096 -2.976 -8.215 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.768 -2.474 -5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.168 -3.997 -5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -1.505 -2.068 -5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.596 -2.947 -7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.168 0.035 -6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.964 1.002 -7.409 1.00 0.00 H new ATOM 237 N TRP A 19 -5.101 -5.234 -7.929 1.00 0.00 N ATOM 238 CA TRP A 19 -5.823 -6.500 -7.893 1.00 0.00 C ATOM 239 C TRP A 19 -4.869 -7.666 -7.659 1.00 0.00 C ATOM 240 O TRP A 19 -4.150 -8.084 -8.566 1.00 0.00 O ATOM 241 CB TRP A 19 -6.593 -6.710 -9.198 1.00 0.00 C ATOM 242 CG TRP A 19 -7.773 -5.798 -9.345 1.00 0.00 C ATOM 243 CD1 TRP A 19 -9.043 -6.023 -8.895 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.794 -4.518 -9.986 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.852 -4.960 -9.219 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.109 -4.024 -9.887 1.00 0.00 C ATOM 247 CE3 TRP A 19 -6.829 -3.741 -10.632 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -9.481 -2.789 -10.412 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.199 -2.516 -11.152 1.00 0.00 C ATOM 250 CH2 TRP A 19 -8.516 -2.049 -11.039 1.00 0.00 C ATOM 0 H TRP A 19 -4.393 -5.173 -8.661 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.530 -6.461 -7.064 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.917 -6.556 -10.039 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.934 -7.744 -9.248 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -9.364 -6.906 -8.363 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.845 -4.881 -8.998 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.812 -4.092 -10.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -10.495 -2.428 -10.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.461 -1.908 -11.654 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.774 -1.086 -11.455 1.00 0.00 H new ATOM 261 N VAL A 20 -4.866 -8.187 -6.436 1.00 0.00 N ATOM 262 CA VAL A 20 -4.000 -9.305 -6.083 1.00 0.00 C ATOM 263 C VAL A 20 -4.796 -10.435 -5.440 1.00 0.00 C ATOM 264 O VAL A 20 -6.019 -10.360 -5.325 1.00 0.00 O ATOM 265 CB VAL A 20 -2.881 -8.867 -5.119 1.00 0.00 C ATOM 266 CG1 VAL A 20 -2.056 -7.747 -5.734 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.468 -8.437 -3.783 1.00 0.00 C ATOM 0 H VAL A 20 -5.454 -7.852 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.551 -9.662 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.222 -9.717 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.270 -7.450 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.606 -8.095 -6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.700 -6.892 -5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.664 -8.131 -3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.150 -7.601 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.011 -9.271 -3.339 1.00 0.00 H new ATOM 277 N ALA A 21 -4.094 -11.483 -5.021 1.00 0.00 N ATOM 278 CA ALA A 21 -4.734 -12.628 -4.386 1.00 0.00 C ATOM 279 C ALA A 21 -4.497 -12.625 -2.880 1.00 0.00 C ATOM 280 O ALA A 21 -3.598 -11.955 -2.370 1.00 0.00 O ATOM 281 CB ALA A 21 -4.226 -13.924 -5.000 1.00 0.00 C ATOM 0 H ALA A 21 -3.081 -11.562 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.808 -12.554 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.712 -14.771 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.453 -13.935 -6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.148 -13.996 -4.858 1.00 0.00 H new ATOM 287 N PRO A 22 -5.322 -13.389 -2.149 1.00 0.00 N ATOM 288 CA PRO A 22 -5.221 -13.491 -0.690 1.00 0.00 C ATOM 289 C PRO A 22 -3.971 -14.243 -0.246 1.00 0.00 C ATOM 290 O PRO A 22 -4.005 -15.456 -0.041 1.00 0.00 O ATOM 291 CB PRO A 22 -6.480 -14.270 -0.301 1.00 0.00 C ATOM 292 CG PRO A 22 -6.829 -15.058 -1.516 1.00 0.00 C ATOM 293 CD PRO A 22 -6.415 -14.214 -2.690 1.00 0.00 C ATOM 0 HA PRO A 22 -5.146 -12.512 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.294 -14.921 0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.290 -13.598 -0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.310 -16.016 -1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.897 -15.274 -1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.080 -14.827 -3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.239 -13.600 -3.054 1.00 0.00 H new ATOM 301 N GLY A 23 -2.868 -13.515 -0.099 1.00 0.00 N ATOM 302 CA GLY A 23 -1.623 -14.131 0.320 1.00 0.00 C ATOM 303 C GLY A 23 -0.411 -13.481 -0.317 1.00 0.00 C ATOM 304 O GLY A 23 0.723 -13.742 0.083 1.00 0.00 O ATOM 0 H GLY A 23 -2.815 -12.510 -0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.537 -14.068 1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.641 -15.190 0.063 1.00 0.00 H new ATOM 308 N GLU A 24 -0.651 -12.633 -1.313 1.00 0.00 N ATOM 309 CA GLU A 24 0.431 -11.946 -2.008 1.00 0.00 C ATOM 310 C GLU A 24 0.725 -10.596 -1.358 1.00 0.00 C ATOM 311 O GLU A 24 -0.022 -10.136 -0.494 1.00 0.00 O ATOM 312 CB GLU A 24 0.074 -11.747 -3.482 1.00 0.00 C ATOM 313 CG GLU A 24 -0.485 -12.993 -4.147 1.00 0.00 C ATOM 314 CD GLU A 24 -0.168 -13.057 -5.628 1.00 0.00 C ATOM 315 OE1 GLU A 24 -0.960 -12.517 -6.428 1.00 0.00 O ATOM 316 OE2 GLU A 24 0.872 -13.648 -5.987 1.00 0.00 O ATOM 0 H GLU A 24 -1.584 -12.406 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 24 1.325 -12.566 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.657 -10.943 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.964 -11.425 -4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.079 -13.876 -3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.566 -13.020 -4.009 1.00 0.00 H new ATOM 323 N ASP A 25 1.817 -9.969 -1.779 1.00 0.00 N ATOM 324 CA ASP A 25 2.211 -8.673 -1.239 1.00 0.00 C ATOM 325 C ASP A 25 1.681 -7.538 -2.109 1.00 0.00 C ATOM 326 O ASP A 25 1.628 -7.654 -3.334 1.00 0.00 O ATOM 327 CB ASP A 25 3.734 -8.582 -1.132 1.00 0.00 C ATOM 328 CG ASP A 25 4.420 -8.766 -2.472 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.612 -7.758 -3.184 1.00 0.00 O ATOM 330 OD2 ASP A 25 4.766 -9.918 -2.807 1.00 0.00 O ATOM 0 H ASP A 25 2.446 -10.337 -2.493 1.00 0.00 H new ATOM 0 HA ASP A 25 1.779 -8.576 -0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.009 -7.613 -0.716 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.093 -9.341 -0.436 1.00 0.00 H new ATOM 335 N VAL A 26 1.288 -6.441 -1.469 1.00 0.00 N ATOM 336 CA VAL A 26 0.762 -5.285 -2.185 1.00 0.00 C ATOM 337 C VAL A 26 1.687 -4.082 -2.041 1.00 0.00 C ATOM 338 O VAL A 26 2.171 -3.786 -0.949 1.00 0.00 O ATOM 339 CB VAL A 26 -0.641 -4.903 -1.679 1.00 0.00 C ATOM 340 CG1 VAL A 26 -1.034 -3.523 -2.183 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.664 -5.946 -2.105 1.00 0.00 C ATOM 0 H VAL A 26 1.324 -6.329 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 26 0.697 -5.566 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.619 -4.873 -0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.028 -3.271 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.316 -2.786 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.039 -3.522 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.650 -5.660 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.686 -6.011 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.390 -6.916 -1.689 1.00 0.00 H new ATOM 351 N GLU A 27 1.929 -3.392 -3.151 1.00 0.00 N ATOM 352 CA GLU A 27 2.797 -2.221 -3.148 1.00 0.00 C ATOM 353 C GLU A 27 2.116 -1.037 -3.828 1.00 0.00 C ATOM 354 O GLU A 27 1.751 -1.106 -5.002 1.00 0.00 O ATOM 355 CB GLU A 27 4.119 -2.536 -3.853 1.00 0.00 C ATOM 356 CG GLU A 27 4.889 -3.681 -3.217 1.00 0.00 C ATOM 357 CD GLU A 27 6.124 -4.063 -4.009 1.00 0.00 C ATOM 358 OE1 GLU A 27 5.996 -4.871 -4.953 1.00 0.00 O ATOM 359 OE2 GLU A 27 7.219 -3.557 -3.685 1.00 0.00 O ATOM 0 H GLU A 27 1.536 -3.624 -4.063 1.00 0.00 H new ATOM 0 HA GLU A 27 3.001 -1.955 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.916 -2.780 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.744 -1.643 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.183 -3.399 -2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.235 -4.549 -3.129 1.00 0.00 H new ATOM 366 N LEU A 28 1.947 0.049 -3.082 1.00 0.00 N ATOM 367 CA LEU A 28 1.309 1.250 -3.611 1.00 0.00 C ATOM 368 C LEU A 28 2.285 2.422 -3.630 1.00 0.00 C ATOM 369 O LEU A 28 2.525 3.059 -2.605 1.00 0.00 O ATOM 370 CB LEU A 28 0.079 1.608 -2.774 1.00 0.00 C ATOM 371 CG LEU A 28 -0.923 0.478 -2.535 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.649 0.680 -1.214 1.00 0.00 C ATOM 373 CD2 LEU A 28 -1.916 0.395 -3.684 1.00 0.00 C ATOM 0 H LEU A 28 2.243 0.123 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 28 0.997 1.045 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.418 1.977 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.442 2.431 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.376 -0.463 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.358 -0.133 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.925 0.689 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.185 1.629 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.622 -0.415 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.458 1.337 -3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.381 0.203 -4.614 1.00 0.00 H new ATOM 385 N ARG A 29 2.843 2.701 -4.803 1.00 0.00 N ATOM 386 CA ARG A 29 3.792 3.797 -4.956 1.00 0.00 C ATOM 387 C ARG A 29 3.082 5.073 -5.399 1.00 0.00 C ATOM 388 O ARG A 29 2.051 5.020 -6.072 1.00 0.00 O ATOM 389 CB ARG A 29 4.874 3.425 -5.971 1.00 0.00 C ATOM 390 CG ARG A 29 6.011 2.609 -5.377 1.00 0.00 C ATOM 391 CD ARG A 29 7.165 2.466 -6.356 1.00 0.00 C ATOM 392 NE ARG A 29 6.868 1.506 -7.416 1.00 0.00 N ATOM 393 CZ ARG A 29 7.801 0.913 -8.153 1.00 0.00 C ATOM 394 NH1 ARG A 29 9.083 1.182 -7.948 1.00 0.00 N ATOM 395 NH2 ARG A 29 7.452 0.050 -9.099 1.00 0.00 N ATOM 0 H ARG A 29 2.654 2.183 -5.661 1.00 0.00 H new ATOM 0 HA ARG A 29 4.258 3.978 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.419 2.860 -6.784 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.281 4.338 -6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.365 3.087 -4.463 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.644 1.621 -5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.387 3.437 -6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.059 2.148 -5.819 1.00 0.00 H new ATOM 0 HE ARG A 29 5.891 1.278 -7.601 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.355 1.846 -7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.797 0.725 -8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.467 -0.159 -9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.169 -0.405 -9.664 1.00 0.00 H new ATOM 409 N CYS A 30 3.639 6.217 -5.018 1.00 0.00 N ATOM 410 CA CYS A 30 3.058 7.507 -5.374 1.00 0.00 C ATOM 411 C CYS A 30 4.148 8.519 -5.711 1.00 0.00 C ATOM 412 O CYS A 30 5.331 8.181 -5.751 1.00 0.00 O ATOM 413 CB CYS A 30 2.192 8.034 -4.229 1.00 0.00 C ATOM 414 SG CYS A 30 3.104 8.985 -2.991 1.00 0.00 S ATOM 0 H CYS A 30 4.492 6.278 -4.463 1.00 0.00 H new ATOM 0 HA CYS A 30 2.433 7.365 -6.256 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.402 8.661 -4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.705 7.191 -3.738 1.00 0.00 H new ATOM 0 HG CYS A 30 2.286 9.389 -2.065 1.00 0.00 H new ATOM 420 N GLU A 31 3.741 9.761 -5.953 1.00 0.00 N ATOM 421 CA GLU A 31 4.683 10.822 -6.289 1.00 0.00 C ATOM 422 C GLU A 31 4.347 12.107 -5.538 1.00 0.00 C ATOM 423 O GLU A 31 3.185 12.369 -5.222 1.00 0.00 O ATOM 424 CB GLU A 31 4.676 11.083 -7.796 1.00 0.00 C ATOM 425 CG GLU A 31 5.848 11.923 -8.275 1.00 0.00 C ATOM 426 CD GLU A 31 7.049 11.083 -8.661 1.00 0.00 C ATOM 427 OE1 GLU A 31 7.139 10.684 -9.841 1.00 0.00 O ATOM 428 OE2 GLU A 31 7.900 10.823 -7.784 1.00 0.00 O ATOM 0 H GLU A 31 2.765 10.057 -5.923 1.00 0.00 H new ATOM 0 HA GLU A 31 5.679 10.496 -5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.686 10.128 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.747 11.585 -8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.536 12.520 -9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.135 12.621 -7.489 1.00 0.00 H new ATOM 435 N LEU A 32 5.370 12.904 -5.254 1.00 0.00 N ATOM 436 CA LEU A 32 5.185 14.163 -4.539 1.00 0.00 C ATOM 437 C LEU A 32 5.950 15.293 -5.219 1.00 0.00 C ATOM 438 O LEU A 32 7.044 15.088 -5.743 1.00 0.00 O ATOM 439 CB LEU A 32 5.646 14.020 -3.088 1.00 0.00 C ATOM 440 CG LEU A 32 5.362 12.674 -2.421 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.330 12.430 -1.275 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.923 12.616 -1.929 1.00 0.00 C ATOM 0 H LEU A 32 6.337 12.702 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 32 4.123 14.408 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.720 14.202 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.169 14.803 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 32 5.504 11.887 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.112 11.467 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.351 12.427 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.222 13.221 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.738 11.651 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.754 13.413 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.245 12.743 -2.773 1.00 0.00 H new ATOM 454 N SER A 33 5.366 16.487 -5.205 1.00 0.00 N ATOM 455 CA SER A 33 5.992 17.651 -5.823 1.00 0.00 C ATOM 456 C SER A 33 7.374 17.904 -5.228 1.00 0.00 C ATOM 457 O SER A 33 8.286 18.358 -5.920 1.00 0.00 O ATOM 458 CB SER A 33 5.111 18.888 -5.638 1.00 0.00 C ATOM 459 OG SER A 33 5.795 20.065 -6.033 1.00 0.00 O ATOM 0 H SER A 33 4.461 16.674 -4.773 1.00 0.00 H new ATOM 0 HA SER A 33 6.105 17.450 -6.888 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.199 18.780 -6.225 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.810 18.971 -4.594 1.00 0.00 H new ATOM 0 HG SER A 33 5.931 20.642 -5.253 1.00 0.00 H new ATOM 465 N ARG A 34 7.522 17.606 -3.942 1.00 0.00 N ATOM 466 CA ARG A 34 8.792 17.801 -3.253 1.00 0.00 C ATOM 467 C ARG A 34 9.045 16.679 -2.250 1.00 0.00 C ATOM 468 O ARG A 34 8.112 16.149 -1.648 1.00 0.00 O ATOM 469 CB ARG A 34 8.805 19.152 -2.536 1.00 0.00 C ATOM 470 CG ARG A 34 8.047 19.150 -1.218 1.00 0.00 C ATOM 471 CD ARG A 34 8.542 20.247 -0.289 1.00 0.00 C ATOM 472 NE ARG A 34 9.678 19.810 0.517 1.00 0.00 N ATOM 473 CZ ARG A 34 10.479 20.643 1.172 1.00 0.00 C ATOM 474 NH1 ARG A 34 10.268 21.951 1.117 1.00 0.00 N ATOM 475 NH2 ARG A 34 11.493 20.169 1.885 1.00 0.00 N ATOM 0 H ARG A 34 6.778 17.228 -3.355 1.00 0.00 H new ATOM 0 HA ARG A 34 9.587 17.785 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.838 19.445 -2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.372 19.907 -3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.983 19.286 -1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.162 18.181 -0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.829 21.118 -0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.730 20.559 0.368 1.00 0.00 H new ATOM 0 HE ARG A 34 9.867 18.810 0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.489 22.319 0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.884 22.589 1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.658 19.164 1.931 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.107 20.810 2.387 1.00 0.00 H new ATOM 489 N ALA A 35 10.313 16.321 -2.078 1.00 0.00 N ATOM 490 CA ALA A 35 10.689 15.264 -1.148 1.00 0.00 C ATOM 491 C ALA A 35 10.543 15.726 0.298 1.00 0.00 C ATOM 492 O ALA A 35 10.068 16.830 0.562 1.00 0.00 O ATOM 493 CB ALA A 35 12.116 14.807 -1.416 1.00 0.00 C ATOM 0 H ALA A 35 11.097 16.748 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 35 10.014 14.422 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.383 14.017 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.191 14.427 -2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.797 15.649 -1.291 1.00 0.00 H new ATOM 499 N GLY A 36 10.954 14.873 1.232 1.00 0.00 N ATOM 500 CA GLY A 36 10.859 15.213 2.639 1.00 0.00 C ATOM 501 C GLY A 36 9.429 15.441 3.086 1.00 0.00 C ATOM 502 O GLY A 36 9.148 16.364 3.852 1.00 0.00 O ATOM 0 H GLY A 36 11.351 13.953 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.299 14.412 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.444 16.112 2.833 1.00 0.00 H new ATOM 506 N THR A 37 8.519 14.599 2.605 1.00 0.00 N ATOM 507 CA THR A 37 7.109 14.714 2.957 1.00 0.00 C ATOM 508 C THR A 37 6.476 13.341 3.148 1.00 0.00 C ATOM 509 O THR A 37 6.199 12.620 2.189 1.00 0.00 O ATOM 510 CB THR A 37 6.323 15.484 1.880 1.00 0.00 C ATOM 511 OG1 THR A 37 6.843 16.812 1.749 1.00 0.00 O ATOM 512 CG2 THR A 37 4.844 15.546 2.229 1.00 0.00 C ATOM 0 H THR A 37 8.734 13.830 1.970 1.00 0.00 H new ATOM 0 HA THR A 37 7.061 15.266 3.896 1.00 0.00 H new ATOM 0 HB THR A 37 6.435 14.955 0.933 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.269 17.438 2.238 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.310 16.095 1.453 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.444 14.534 2.299 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.717 16.053 3.185 1.00 0.00 H new ATOM 520 N PRO A 38 6.239 12.968 4.414 1.00 0.00 N ATOM 521 CA PRO A 38 5.634 11.679 4.760 1.00 0.00 C ATOM 522 C PRO A 38 4.165 11.602 4.360 1.00 0.00 C ATOM 523 O PRO A 38 3.450 12.603 4.390 1.00 0.00 O ATOM 524 CB PRO A 38 5.778 11.617 6.283 1.00 0.00 C ATOM 525 CG PRO A 38 5.845 13.041 6.716 1.00 0.00 C ATOM 526 CD PRO A 38 6.544 13.777 5.606 1.00 0.00 C ATOM 0 HA PRO A 38 6.114 10.851 4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.932 11.104 6.740 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.676 11.072 6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.847 13.445 6.885 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.391 13.139 7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.173 14.797 5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.618 13.844 5.782 1.00 0.00 H new ATOM 534 N VAL A 39 3.720 10.406 3.985 1.00 0.00 N ATOM 535 CA VAL A 39 2.335 10.199 3.580 1.00 0.00 C ATOM 536 C VAL A 39 1.529 9.541 4.695 1.00 0.00 C ATOM 537 O VAL A 39 2.082 8.848 5.550 1.00 0.00 O ATOM 538 CB VAL A 39 2.245 9.327 2.314 1.00 0.00 C ATOM 539 CG1 VAL A 39 2.521 7.869 2.648 1.00 0.00 C ATOM 540 CG2 VAL A 39 0.883 9.483 1.655 1.00 0.00 C ATOM 0 H VAL A 39 4.299 9.567 3.954 1.00 0.00 H new ATOM 0 HA VAL A 39 1.918 11.183 3.365 1.00 0.00 H new ATOM 0 HB VAL A 39 3.005 9.663 1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.453 7.269 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.521 7.776 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.787 7.516 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.837 8.860 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.104 9.175 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.730 10.526 1.378 1.00 0.00 H new ATOM 550 N HIS A 40 0.219 9.762 4.680 1.00 0.00 N ATOM 551 CA HIS A 40 -0.665 9.189 5.689 1.00 0.00 C ATOM 552 C HIS A 40 -1.586 8.140 5.073 1.00 0.00 C ATOM 553 O HIS A 40 -2.544 8.474 4.377 1.00 0.00 O ATOM 554 CB HIS A 40 -1.496 10.288 6.353 1.00 0.00 C ATOM 555 CG HIS A 40 -1.989 9.923 7.719 1.00 0.00 C ATOM 556 ND1 HIS A 40 -3.314 10.012 8.089 1.00 0.00 N ATOM 557 CD2 HIS A 40 -1.326 9.465 8.807 1.00 0.00 C ATOM 558 CE1 HIS A 40 -3.445 9.626 9.346 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.253 9.288 9.804 1.00 0.00 N ATOM 0 H HIS A 40 -0.254 10.334 3.980 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.047 8.705 6.445 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.895 11.195 6.423 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.350 10.520 5.717 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.265 9.274 8.877 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -4.369 9.593 9.904 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.054 8.950 10.746 1.00 0.00 H new ATOM 568 N TRP A 41 -1.287 6.872 5.334 1.00 0.00 N ATOM 569 CA TRP A 41 -2.089 5.775 4.804 1.00 0.00 C ATOM 570 C TRP A 41 -3.274 5.477 5.715 1.00 0.00 C ATOM 571 O TRP A 41 -3.100 5.064 6.862 1.00 0.00 O ATOM 572 CB TRP A 41 -1.228 4.521 4.640 1.00 0.00 C ATOM 573 CG TRP A 41 -0.071 4.712 3.706 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.187 5.128 4.035 1.00 0.00 C ATOM 575 CD2 TRP A 41 -0.068 4.497 2.291 1.00 0.00 C ATOM 576 NE1 TRP A 41 1.973 5.184 2.910 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.227 4.801 1.827 1.00 0.00 C ATOM 578 CE3 TRP A 41 -1.031 4.075 1.371 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.579 4.697 0.484 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.680 3.973 0.038 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.616 4.282 -0.395 1.00 0.00 C ATOM 0 H TRP A 41 -0.497 6.579 5.908 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.472 6.075 3.829 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.851 4.218 5.617 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.852 3.706 4.272 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.516 5.377 5.033 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.953 5.465 2.885 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.032 3.833 1.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.577 4.936 0.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.417 3.650 -0.682 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.860 4.191 -1.443 1.00 0.00 H new ATOM 592 N LEU A 42 -4.480 5.688 5.198 1.00 0.00 N ATOM 593 CA LEU A 42 -5.695 5.442 5.965 1.00 0.00 C ATOM 594 C LEU A 42 -6.546 4.360 5.307 1.00 0.00 C ATOM 595 O LEU A 42 -6.988 4.511 4.168 1.00 0.00 O ATOM 596 CB LEU A 42 -6.506 6.732 6.101 1.00 0.00 C ATOM 597 CG LEU A 42 -5.766 7.931 6.695 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.319 9.231 6.134 1.00 0.00 C ATOM 599 CD2 LEU A 42 -5.863 7.919 8.214 1.00 0.00 C ATOM 0 H LEU A 42 -4.642 6.029 4.250 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.404 5.096 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.875 7.011 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.378 6.525 6.721 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.714 7.858 6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.780 10.073 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.196 9.241 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.378 9.312 6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.331 8.779 8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.910 7.967 8.512 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.417 7.002 8.600 1.00 0.00 H new ATOM 611 N LYS A 43 -6.772 3.270 6.032 1.00 0.00 N ATOM 612 CA LYS A 43 -7.572 2.164 5.521 1.00 0.00 C ATOM 613 C LYS A 43 -9.001 2.236 6.049 1.00 0.00 C ATOM 614 O LYS A 43 -9.293 1.757 7.145 1.00 0.00 O ATOM 615 CB LYS A 43 -6.940 0.826 5.912 1.00 0.00 C ATOM 616 CG LYS A 43 -7.552 -0.368 5.201 1.00 0.00 C ATOM 617 CD LYS A 43 -7.038 -1.680 5.770 1.00 0.00 C ATOM 618 CE LYS A 43 -8.036 -2.808 5.558 1.00 0.00 C ATOM 619 NZ LYS A 43 -9.055 -2.858 6.643 1.00 0.00 N ATOM 0 H LYS A 43 -6.412 3.129 6.976 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.600 2.242 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.873 0.860 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.040 0.687 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.637 -0.331 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.321 -0.317 4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.091 -1.937 5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.840 -1.563 6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.534 -2.676 4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.505 -3.759 5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.717 -3.640 6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.582 -3.009 7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.579 -1.960 6.669 1.00 0.00 H new ATOM 633 N ASP A 44 -9.888 2.836 5.262 1.00 0.00 N ATOM 634 CA ASP A 44 -11.288 2.969 5.650 1.00 0.00 C ATOM 635 C ASP A 44 -11.425 3.821 6.907 1.00 0.00 C ATOM 636 O ASP A 44 -12.035 3.401 7.891 1.00 0.00 O ATOM 637 CB ASP A 44 -11.907 1.590 5.883 1.00 0.00 C ATOM 638 CG ASP A 44 -12.392 0.948 4.598 1.00 0.00 C ATOM 639 OD1 ASP A 44 -11.680 1.053 3.578 1.00 0.00 O ATOM 640 OD2 ASP A 44 -13.483 0.341 4.613 1.00 0.00 O ATOM 0 H ASP A 44 -9.663 3.238 4.352 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.819 3.465 4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.171 0.940 6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.742 1.683 6.577 1.00 0.00 H new ATOM 645 N ARG A 45 -10.853 5.020 6.869 1.00 0.00 N ATOM 646 CA ARG A 45 -10.909 5.931 8.006 1.00 0.00 C ATOM 647 C ARG A 45 -10.165 5.350 9.205 1.00 0.00 C ATOM 648 O ARG A 45 -10.667 5.366 10.329 1.00 0.00 O ATOM 649 CB ARG A 45 -12.363 6.218 8.385 1.00 0.00 C ATOM 650 CG ARG A 45 -13.218 6.677 7.215 1.00 0.00 C ATOM 651 CD ARG A 45 -13.140 8.184 7.027 1.00 0.00 C ATOM 652 NE ARG A 45 -13.574 8.593 5.694 1.00 0.00 N ATOM 653 CZ ARG A 45 -12.789 8.560 4.623 1.00 0.00 C ATOM 654 NH1 ARG A 45 -11.536 8.140 4.729 1.00 0.00 N ATOM 655 NH2 ARG A 45 -13.256 8.948 3.443 1.00 0.00 N ATOM 0 H ARG A 45 -10.345 5.383 6.063 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.425 6.864 7.717 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.802 5.317 8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.383 6.983 9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.888 6.178 6.304 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.254 6.383 7.382 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -13.760 8.675 7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.116 8.517 7.193 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.533 8.922 5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.173 7.841 5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.935 8.115 3.905 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.219 9.272 3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.652 8.922 2.622 1.00 0.00 H new ATOM 669 N LYS A 46 -8.965 4.837 8.958 1.00 0.00 N ATOM 670 CA LYS A 46 -8.150 4.251 10.015 1.00 0.00 C ATOM 671 C LYS A 46 -6.664 4.439 9.725 1.00 0.00 C ATOM 672 O LYS A 46 -6.149 3.941 8.725 1.00 0.00 O ATOM 673 CB LYS A 46 -8.466 2.761 10.165 1.00 0.00 C ATOM 674 CG LYS A 46 -9.847 2.487 10.735 1.00 0.00 C ATOM 675 CD LYS A 46 -10.232 1.025 10.585 1.00 0.00 C ATOM 676 CE LYS A 46 -9.490 0.148 11.583 1.00 0.00 C ATOM 677 NZ LYS A 46 -9.816 -1.294 11.403 1.00 0.00 N ATOM 0 H LYS A 46 -8.535 4.815 8.033 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.388 4.763 10.948 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.382 2.280 9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.718 2.303 10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.868 2.763 11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.582 3.112 10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.307 0.914 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.011 0.692 9.571 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.416 0.295 11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.746 0.455 12.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.291 -1.858 12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.837 -1.439 11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.548 -1.593 10.444 1.00 0.00 H new ATOM 691 N ALA A 47 -5.980 5.161 10.607 1.00 0.00 N ATOM 692 CA ALA A 47 -4.553 5.412 10.447 1.00 0.00 C ATOM 693 C ALA A 47 -3.756 4.114 10.521 1.00 0.00 C ATOM 694 O ALA A 47 -3.824 3.389 11.514 1.00 0.00 O ATOM 695 CB ALA A 47 -4.068 6.393 11.504 1.00 0.00 C ATOM 0 H ALA A 47 -6.391 5.582 11.440 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.394 5.849 9.461 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.001 6.571 11.373 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.608 7.334 11.402 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.247 5.977 12.496 1.00 0.00 H new ATOM 701 N ILE A 48 -3.002 3.827 9.466 1.00 0.00 N ATOM 702 CA ILE A 48 -2.192 2.617 9.413 1.00 0.00 C ATOM 703 C ILE A 48 -0.851 2.822 10.110 1.00 0.00 C ATOM 704 O ILE A 48 -0.245 3.889 10.010 1.00 0.00 O ATOM 705 CB ILE A 48 -1.940 2.171 7.960 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.263 2.059 7.201 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.194 0.845 7.935 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.094 1.712 5.739 1.00 0.00 C ATOM 0 H ILE A 48 -2.935 4.416 8.636 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.753 1.839 9.931 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.323 2.922 7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.882 1.299 7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.800 3.004 7.282 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.023 0.543 6.902 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.236 0.957 8.443 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.787 0.084 8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.073 1.649 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.502 2.484 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.585 0.752 5.649 1.00 0.00 H new ATOM 720 N ARG A 49 -0.393 1.792 10.814 1.00 0.00 N ATOM 721 CA ARG A 49 0.877 1.858 11.527 1.00 0.00 C ATOM 722 C ARG A 49 1.959 1.081 10.784 1.00 0.00 C ATOM 723 O ARG A 49 1.684 0.062 10.150 1.00 0.00 O ATOM 724 CB ARG A 49 0.719 1.305 12.945 1.00 0.00 C ATOM 725 CG ARG A 49 -0.304 2.056 13.781 1.00 0.00 C ATOM 726 CD ARG A 49 -0.089 1.819 15.268 1.00 0.00 C ATOM 727 NE ARG A 49 -1.149 2.417 16.076 1.00 0.00 N ATOM 728 CZ ARG A 49 -2.400 1.972 16.091 1.00 0.00 C ATOM 729 NH1 ARG A 49 -2.747 0.931 15.346 1.00 0.00 N ATOM 730 NH2 ARG A 49 -3.309 2.569 16.853 1.00 0.00 N ATOM 0 H ARG A 49 -0.882 0.902 10.906 1.00 0.00 H new ATOM 0 HA ARG A 49 1.179 2.904 11.583 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.428 0.256 12.887 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.685 1.341 13.449 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.237 3.123 13.568 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.308 1.737 13.502 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.046 0.747 15.462 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.873 2.236 15.566 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.916 3.220 16.660 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.052 0.470 14.759 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.709 0.592 15.360 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.046 3.370 17.427 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.270 2.227 16.864 1.00 0.00 H new ATOM 744 N LYS A 50 3.192 1.570 10.865 1.00 0.00 N ATOM 745 CA LYS A 50 4.318 0.922 10.202 1.00 0.00 C ATOM 746 C LYS A 50 4.881 -0.205 11.061 1.00 0.00 C ATOM 747 O LYS A 50 5.252 0.008 12.215 1.00 0.00 O ATOM 748 CB LYS A 50 5.415 1.945 9.899 1.00 0.00 C ATOM 749 CG LYS A 50 6.621 1.352 9.190 1.00 0.00 C ATOM 750 CD LYS A 50 7.863 2.203 9.396 1.00 0.00 C ATOM 751 CE LYS A 50 7.672 3.609 8.848 1.00 0.00 C ATOM 752 NZ LYS A 50 8.487 4.609 9.592 1.00 0.00 N ATOM 0 H LYS A 50 3.437 2.413 11.384 1.00 0.00 H new ATOM 0 HA LYS A 50 3.959 0.495 9.265 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.997 2.741 9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.742 2.402 10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.804 0.344 9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.411 1.265 8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.098 2.254 10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.714 1.732 8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.947 3.628 7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.618 3.882 8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.329 5.555 9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.207 4.609 10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.494 4.363 9.514 1.00 0.00 H new ATOM 766 N SER A 51 4.943 -1.404 10.490 1.00 0.00 N ATOM 767 CA SER A 51 5.459 -2.565 11.206 1.00 0.00 C ATOM 768 C SER A 51 5.795 -3.695 10.237 1.00 0.00 C ATOM 769 O SER A 51 5.499 -3.612 9.045 1.00 0.00 O ATOM 770 CB SER A 51 4.439 -3.050 12.238 1.00 0.00 C ATOM 771 OG SER A 51 3.158 -3.207 11.653 1.00 0.00 O ATOM 0 H SER A 51 4.643 -1.597 9.534 1.00 0.00 H new ATOM 0 HA SER A 51 6.372 -2.267 11.721 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.768 -3.999 12.661 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.382 -2.337 13.061 1.00 0.00 H new ATOM 0 HG SER A 51 2.524 -3.519 12.332 1.00 0.00 H new ATOM 777 N GLN A 52 6.416 -4.748 10.758 1.00 0.00 N ATOM 778 CA GLN A 52 6.794 -5.894 9.940 1.00 0.00 C ATOM 779 C GLN A 52 5.713 -6.207 8.910 1.00 0.00 C ATOM 780 O GLN A 52 5.997 -6.741 7.838 1.00 0.00 O ATOM 781 CB GLN A 52 7.044 -7.118 10.823 1.00 0.00 C ATOM 782 CG GLN A 52 7.613 -8.307 10.067 1.00 0.00 C ATOM 783 CD GLN A 52 9.086 -8.144 9.746 1.00 0.00 C ATOM 784 OE1 GLN A 52 9.785 -7.348 10.373 1.00 0.00 O ATOM 785 NE2 GLN A 52 9.566 -8.900 8.765 1.00 0.00 N ATOM 0 H GLN A 52 6.668 -4.831 11.743 1.00 0.00 H new ATOM 0 HA GLN A 52 7.713 -5.644 9.411 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.731 -6.844 11.623 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.107 -7.413 11.295 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.472 -9.211 10.660 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.056 -8.444 9.140 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.951 -9.547 8.272 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.550 -8.834 8.505 1.00 0.00 H new ATOM 794 N LYS A 53 4.471 -5.873 9.244 1.00 0.00 N ATOM 795 CA LYS A 53 3.346 -6.117 8.349 1.00 0.00 C ATOM 796 C LYS A 53 3.244 -5.022 7.292 1.00 0.00 C ATOM 797 O LYS A 53 3.384 -5.285 6.097 1.00 0.00 O ATOM 798 CB LYS A 53 2.041 -6.195 9.145 1.00 0.00 C ATOM 799 CG LYS A 53 0.795 -6.070 8.286 1.00 0.00 C ATOM 800 CD LYS A 53 0.744 -7.150 7.218 1.00 0.00 C ATOM 801 CE LYS A 53 0.017 -8.390 7.715 1.00 0.00 C ATOM 802 NZ LYS A 53 0.950 -9.363 8.348 1.00 0.00 N ATOM 0 H LYS A 53 4.218 -5.432 10.128 1.00 0.00 H new ATOM 0 HA LYS A 53 3.515 -7.069 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.009 -7.144 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.035 -5.404 9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.091 -6.138 8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.775 -5.088 7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.242 -6.763 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.758 -7.416 6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.748 -8.099 8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.496 -8.869 6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.524 -10.312 8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.846 -9.379 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.133 -9.079 9.332 1.00 0.00 H new ATOM 816 N TYR A 54 3.000 -3.796 7.739 1.00 0.00 N ATOM 817 CA TYR A 54 2.879 -2.661 6.831 1.00 0.00 C ATOM 818 C TYR A 54 4.178 -1.863 6.780 1.00 0.00 C ATOM 819 O TYR A 54 4.571 -1.233 7.761 1.00 0.00 O ATOM 820 CB TYR A 54 1.727 -1.754 7.267 1.00 0.00 C ATOM 821 CG TYR A 54 0.396 -2.467 7.359 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.355 -2.728 6.220 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.109 -2.880 8.586 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.572 -3.378 6.300 1.00 0.00 C ATOM 825 CE2 TYR A 54 -1.323 -3.532 8.675 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.051 -3.778 7.530 1.00 0.00 C ATOM 827 OH TYR A 54 -3.262 -4.427 7.614 1.00 0.00 O ATOM 0 H TYR A 54 2.882 -3.562 8.725 1.00 0.00 H new ATOM 0 HA TYR A 54 2.672 -3.047 5.833 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.965 -1.320 8.238 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.639 -0.928 6.561 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.019 -2.418 5.255 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.458 -2.688 9.485 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.144 -3.572 5.405 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.700 -3.848 9.636 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.454 -4.642 8.551 1.00 0.00 H new ATOM 837 N ASP A 55 4.838 -1.895 5.628 1.00 0.00 N ATOM 838 CA ASP A 55 6.093 -1.174 5.445 1.00 0.00 C ATOM 839 C ASP A 55 5.876 0.095 4.626 1.00 0.00 C ATOM 840 O ASP A 55 5.778 0.045 3.399 1.00 0.00 O ATOM 841 CB ASP A 55 7.125 -2.069 4.759 1.00 0.00 C ATOM 842 CG ASP A 55 7.102 -3.490 5.287 1.00 0.00 C ATOM 843 OD1 ASP A 55 7.753 -3.750 6.321 1.00 0.00 O ATOM 844 OD2 ASP A 55 6.432 -4.342 4.668 1.00 0.00 O ATOM 0 H ASP A 55 4.525 -2.412 4.806 1.00 0.00 H new ATOM 0 HA ASP A 55 6.467 -0.890 6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.935 -2.080 3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.120 -1.647 4.903 1.00 0.00 H new ATOM 849 N VAL A 56 5.801 1.231 5.311 1.00 0.00 N ATOM 850 CA VAL A 56 5.596 2.512 4.647 1.00 0.00 C ATOM 851 C VAL A 56 6.915 3.255 4.467 1.00 0.00 C ATOM 852 O VAL A 56 7.466 3.804 5.421 1.00 0.00 O ATOM 853 CB VAL A 56 4.620 3.405 5.438 1.00 0.00 C ATOM 854 CG1 VAL A 56 4.871 3.276 6.933 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.743 4.854 4.992 1.00 0.00 C ATOM 0 H VAL A 56 5.879 1.290 6.326 1.00 0.00 H new ATOM 0 HA VAL A 56 5.167 2.296 3.668 1.00 0.00 H new ATOM 0 HB VAL A 56 3.603 3.071 5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.173 3.913 7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.728 2.239 7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.892 3.583 7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.047 5.470 5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.761 5.203 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.509 4.929 3.930 1.00 0.00 H new ATOM 865 N VAL A 57 7.416 3.270 3.236 1.00 0.00 N ATOM 866 CA VAL A 57 8.670 3.947 2.929 1.00 0.00 C ATOM 867 C VAL A 57 8.427 5.207 2.106 1.00 0.00 C ATOM 868 O VAL A 57 7.395 5.341 1.447 1.00 0.00 O ATOM 869 CB VAL A 57 9.634 3.023 2.162 1.00 0.00 C ATOM 870 CG1 VAL A 57 8.857 2.002 1.345 1.00 0.00 C ATOM 871 CG2 VAL A 57 10.558 3.840 1.271 1.00 0.00 C ATOM 0 H VAL A 57 6.972 2.821 2.435 1.00 0.00 H new ATOM 0 HA VAL A 57 9.123 4.221 3.882 1.00 0.00 H new ATOM 0 HB VAL A 57 10.247 2.484 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.554 1.358 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.241 1.397 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.218 2.519 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.233 3.171 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.964 4.406 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.140 4.528 1.884 1.00 0.00 H new ATOM 881 N CYS A 58 9.384 6.127 2.146 1.00 0.00 N ATOM 882 CA CYS A 58 9.274 7.378 1.403 1.00 0.00 C ATOM 883 C CYS A 58 10.650 7.992 1.167 1.00 0.00 C ATOM 884 O CYS A 58 11.355 8.340 2.114 1.00 0.00 O ATOM 885 CB CYS A 58 8.383 8.366 2.157 1.00 0.00 C ATOM 886 SG CYS A 58 8.172 9.956 1.321 1.00 0.00 S ATOM 0 H CYS A 58 10.245 6.031 2.685 1.00 0.00 H new ATOM 0 HA CYS A 58 8.823 7.159 0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.403 7.914 2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.808 8.541 3.145 1.00 0.00 H new ATOM 0 HG CYS A 58 7.341 10.694 1.995 1.00 0.00 H new ATOM 892 N GLU A 59 11.025 8.121 -0.102 1.00 0.00 N ATOM 893 CA GLU A 59 12.318 8.691 -0.461 1.00 0.00 C ATOM 894 C GLU A 59 12.249 9.383 -1.819 1.00 0.00 C ATOM 895 O GLU A 59 11.525 8.948 -2.714 1.00 0.00 O ATOM 896 CB GLU A 59 13.392 7.602 -0.486 1.00 0.00 C ATOM 897 CG GLU A 59 14.004 7.319 0.876 1.00 0.00 C ATOM 898 CD GLU A 59 14.294 8.585 1.659 1.00 0.00 C ATOM 899 OE1 GLU A 59 15.071 9.426 1.162 1.00 0.00 O ATOM 900 OE2 GLU A 59 13.742 8.734 2.770 1.00 0.00 O ATOM 0 H GLU A 59 10.452 7.839 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 59 12.581 9.433 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.956 6.683 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.182 7.899 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.326 6.688 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.929 6.757 0.745 1.00 0.00 H new ATOM 907 N GLY A 60 13.008 10.465 -1.965 1.00 0.00 N ATOM 908 CA GLY A 60 13.018 11.201 -3.216 1.00 0.00 C ATOM 909 C GLY A 60 11.642 11.293 -3.846 1.00 0.00 C ATOM 910 O GLY A 60 11.421 10.789 -4.948 1.00 0.00 O ATOM 0 H GLY A 60 13.616 10.845 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.401 12.206 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.702 10.717 -3.913 1.00 0.00 H new ATOM 914 N THR A 61 10.714 11.936 -3.145 1.00 0.00 N ATOM 915 CA THR A 61 9.352 12.089 -3.641 1.00 0.00 C ATOM 916 C THR A 61 8.785 10.755 -4.113 1.00 0.00 C ATOM 917 O THR A 61 8.080 10.691 -5.119 1.00 0.00 O ATOM 918 CB THR A 61 9.286 13.101 -4.800 1.00 0.00 C ATOM 919 OG1 THR A 61 10.045 12.618 -5.915 1.00 0.00 O ATOM 920 CG2 THR A 61 9.821 14.457 -4.366 1.00 0.00 C ATOM 0 H THR A 61 10.881 12.359 -2.232 1.00 0.00 H new ATOM 0 HA THR A 61 8.753 12.461 -2.809 1.00 0.00 H new ATOM 0 HB THR A 61 8.243 13.217 -5.093 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.332 11.697 -5.741 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.764 15.155 -5.201 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.224 14.835 -3.536 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.859 14.354 -4.049 1.00 0.00 H new ATOM 928 N MET A 62 9.098 9.691 -3.380 1.00 0.00 N ATOM 929 CA MET A 62 8.617 8.358 -3.724 1.00 0.00 C ATOM 930 C MET A 62 8.097 7.632 -2.487 1.00 0.00 C ATOM 931 O MET A 62 8.867 7.023 -1.744 1.00 0.00 O ATOM 932 CB MET A 62 9.735 7.543 -4.376 1.00 0.00 C ATOM 933 CG MET A 62 9.237 6.312 -5.116 1.00 0.00 C ATOM 934 SD MET A 62 10.543 5.107 -5.419 1.00 0.00 S ATOM 935 CE MET A 62 10.847 4.512 -3.757 1.00 0.00 C ATOM 0 H MET A 62 9.682 9.726 -2.545 1.00 0.00 H new ATOM 0 HA MET A 62 7.795 8.466 -4.432 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.279 8.180 -5.073 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.443 7.233 -3.608 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.442 5.842 -4.537 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.801 6.617 -6.068 1.00 0.00 H new ATOM 0 HE1 MET A 62 11.283 3.514 -3.802 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.536 5.187 -3.249 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.907 4.473 -3.207 1.00 0.00 H new ATOM 945 N ALA A 63 6.788 7.701 -2.272 1.00 0.00 N ATOM 946 CA ALA A 63 6.166 7.049 -1.127 1.00 0.00 C ATOM 947 C ALA A 63 5.567 5.703 -1.520 1.00 0.00 C ATOM 948 O ALA A 63 4.745 5.621 -2.432 1.00 0.00 O ATOM 949 CB ALA A 63 5.097 7.948 -0.524 1.00 0.00 C ATOM 0 H ALA A 63 6.137 8.202 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 63 6.938 6.869 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.641 7.448 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.550 8.884 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.333 8.157 -1.273 1.00 0.00 H new ATOM 955 N MET A 64 5.985 4.649 -0.826 1.00 0.00 N ATOM 956 CA MET A 64 5.489 3.306 -1.104 1.00 0.00 C ATOM 957 C MET A 64 4.997 2.634 0.174 1.00 0.00 C ATOM 958 O MET A 64 5.505 2.902 1.264 1.00 0.00 O ATOM 959 CB MET A 64 6.585 2.458 -1.751 1.00 0.00 C ATOM 960 CG MET A 64 6.095 1.107 -2.247 1.00 0.00 C ATOM 961 SD MET A 64 7.427 0.084 -2.904 1.00 0.00 S ATOM 962 CE MET A 64 8.333 -0.295 -1.407 1.00 0.00 C ATOM 0 H MET A 64 6.665 4.699 -0.068 1.00 0.00 H new ATOM 0 HA MET A 64 4.651 3.391 -1.795 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.013 3.010 -2.588 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.386 2.302 -1.029 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.607 0.579 -1.428 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.343 1.259 -3.021 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.737 -1.305 -1.472 1.00 0.00 H new ATOM 0 HE2 MET A 64 9.150 0.416 -1.287 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.664 -0.227 -0.549 1.00 0.00 H new ATOM 972 N LEU A 65 4.006 1.760 0.034 1.00 0.00 N ATOM 973 CA LEU A 65 3.445 1.049 1.177 1.00 0.00 C ATOM 974 C LEU A 65 3.311 -0.441 0.880 1.00 0.00 C ATOM 975 O LEU A 65 2.566 -0.841 -0.015 1.00 0.00 O ATOM 976 CB LEU A 65 2.080 1.632 1.546 1.00 0.00 C ATOM 977 CG LEU A 65 1.252 0.824 2.545 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.820 0.968 3.949 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.204 1.262 2.509 1.00 0.00 C ATOM 0 H LEU A 65 3.574 1.527 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 65 4.126 1.173 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.233 2.631 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.498 1.748 0.632 1.00 0.00 H new ATOM 0 HG LEU A 65 1.301 -0.227 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.218 0.386 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.847 0.604 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.803 2.018 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.778 0.676 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.272 2.319 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.606 1.105 1.508 1.00 0.00 H new ATOM 991 N VAL A 66 4.036 -1.258 1.637 1.00 0.00 N ATOM 992 CA VAL A 66 3.995 -2.705 1.457 1.00 0.00 C ATOM 993 C VAL A 66 3.029 -3.354 2.441 1.00 0.00 C ATOM 994 O VAL A 66 2.957 -2.962 3.606 1.00 0.00 O ATOM 995 CB VAL A 66 5.391 -3.332 1.635 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.412 -4.751 1.089 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.450 -2.475 0.957 1.00 0.00 C ATOM 0 H VAL A 66 4.659 -0.943 2.381 1.00 0.00 H new ATOM 0 HA VAL A 66 3.650 -2.888 0.440 1.00 0.00 H new ATOM 0 HB VAL A 66 5.618 -3.375 2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.406 -5.178 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.681 -5.358 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.164 -4.736 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.430 -2.933 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.229 -2.399 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.450 -1.479 1.400 1.00 0.00 H new ATOM 1007 N ILE A 67 2.288 -4.349 1.965 1.00 0.00 N ATOM 1008 CA ILE A 67 1.327 -5.054 2.804 1.00 0.00 C ATOM 1009 C ILE A 67 1.582 -6.558 2.787 1.00 0.00 C ATOM 1010 O ILE A 67 0.992 -7.288 1.991 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.120 -4.785 2.351 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.399 -3.281 2.332 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.103 -5.500 3.266 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.419 -2.869 1.293 1.00 0.00 C ATOM 0 H ILE A 67 2.335 -4.685 1.003 1.00 0.00 H new ATOM 0 HA ILE A 67 1.457 -4.677 3.818 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.247 -5.172 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.750 -2.972 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.534 -2.749 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.121 -5.300 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.915 -6.573 3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.978 -5.140 4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.567 -1.790 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.061 -3.147 0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.365 -3.373 1.492 1.00 0.00 H new ATOM 1026 N ARG A 68 2.462 -7.014 3.672 1.00 0.00 N ATOM 1027 CA ARG A 68 2.795 -8.430 3.759 1.00 0.00 C ATOM 1028 C ARG A 68 1.530 -9.282 3.834 1.00 0.00 C ATOM 1029 O ARG A 68 0.601 -8.967 4.577 1.00 0.00 O ATOM 1030 CB ARG A 68 3.675 -8.696 4.982 1.00 0.00 C ATOM 1031 CG ARG A 68 5.134 -8.326 4.774 1.00 0.00 C ATOM 1032 CD ARG A 68 5.879 -9.406 4.005 1.00 0.00 C ATOM 1033 NE ARG A 68 5.928 -10.666 4.742 1.00 0.00 N ATOM 1034 CZ ARG A 68 6.782 -11.646 4.465 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.653 -11.511 3.475 1.00 0.00 N ATOM 1036 NH2 ARG A 68 6.766 -12.763 5.181 1.00 0.00 N ATOM 0 H ARG A 68 2.957 -6.423 4.339 1.00 0.00 H new ATOM 0 HA ARG A 68 3.345 -8.704 2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.284 -8.134 5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.610 -9.752 5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.197 -7.383 4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.612 -8.171 5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.393 -9.567 3.043 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.894 -9.068 3.796 1.00 0.00 H new ATOM 0 HE ARG A 68 5.271 -10.801 5.511 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.669 -10.653 2.923 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.307 -12.265 3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.098 -12.870 5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.422 -13.515 4.968 1.00 0.00 H new ATOM 1050 N GLY A 69 1.503 -10.362 3.060 1.00 0.00 N ATOM 1051 CA GLY A 69 0.349 -11.241 3.053 1.00 0.00 C ATOM 1052 C GLY A 69 -0.960 -10.481 3.137 1.00 0.00 C ATOM 1053 O GLY A 69 -1.538 -10.343 4.214 1.00 0.00 O ATOM 0 H GLY A 69 2.260 -10.644 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.359 -11.841 2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.418 -11.933 3.892 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.427 -9.983 1.996 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.676 -9.233 1.945 1.00 0.00 C ATOM 1059 C ALA A 70 -3.873 -10.167 1.809 1.00 0.00 C ATOM 1060 O ALA A 70 -4.172 -10.653 0.719 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.646 -8.238 0.794 1.00 0.00 C ATOM 0 H ALA A 70 -0.959 -10.086 1.095 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.781 -8.686 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.585 -7.684 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.819 -7.543 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.513 -8.773 -0.146 1.00 0.00 H new ATOM 1067 N SER A 71 -4.554 -10.415 2.923 1.00 0.00 N ATOM 1068 CA SER A 71 -5.716 -11.295 2.929 1.00 0.00 C ATOM 1069 C SER A 71 -6.965 -10.549 2.469 1.00 0.00 C ATOM 1070 O SER A 71 -6.970 -9.321 2.377 1.00 0.00 O ATOM 1071 CB SER A 71 -5.939 -11.872 4.329 1.00 0.00 C ATOM 1072 OG SER A 71 -4.929 -12.808 4.661 1.00 0.00 O ATOM 0 H SER A 71 -4.321 -10.019 3.833 1.00 0.00 H new ATOM 0 HA SER A 71 -5.525 -12.112 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.946 -11.065 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.916 -12.354 4.376 1.00 0.00 H new ATOM 0 HG SER A 71 -5.093 -13.161 5.560 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.022 -11.300 2.181 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.279 -10.711 1.730 1.00 0.00 C ATOM 1080 C LEU A 72 -9.639 -9.489 2.568 1.00 0.00 C ATOM 1081 O LEU A 72 -10.140 -8.492 2.048 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.404 -11.745 1.804 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.125 -13.090 1.133 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.242 -14.078 1.434 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -9.957 -12.913 -0.369 1.00 0.00 C ATOM 0 H LEU A 72 -8.034 -12.317 2.251 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.153 -10.394 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.635 -11.926 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.297 -11.314 1.351 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.195 -13.490 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.027 -15.030 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.314 -14.228 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.187 -13.685 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.759 -13.881 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.869 -12.491 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.122 -12.240 -0.565 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.379 -9.572 3.868 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.672 -8.473 4.780 1.00 0.00 C ATOM 1099 C LYS A 73 -8.839 -7.243 4.434 1.00 0.00 C ATOM 1100 O LYS A 73 -9.368 -6.139 4.305 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.402 -8.895 6.226 1.00 0.00 C ATOM 1102 CG LYS A 73 -10.523 -9.717 6.839 1.00 0.00 C ATOM 1103 CD LYS A 73 -10.618 -11.093 6.202 1.00 0.00 C ATOM 1104 CE LYS A 73 -11.867 -11.833 6.658 1.00 0.00 C ATOM 1105 NZ LYS A 73 -13.111 -11.162 6.190 1.00 0.00 N ATOM 0 H LYS A 73 -8.965 -10.390 4.314 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.727 -8.218 4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.478 -9.473 6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.243 -8.003 6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.354 -9.822 7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.470 -9.192 6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.629 -10.993 5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.734 -11.676 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.842 -12.855 6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.875 -11.895 7.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.907 -11.829 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.307 -10.337 6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.988 -10.851 5.205 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.534 -7.441 4.285 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.628 -6.348 3.951 1.00 0.00 C ATOM 1121 C ASP A 74 -7.293 -5.363 2.995 1.00 0.00 C ATOM 1122 O ASP A 74 -7.146 -4.150 3.137 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.343 -6.895 3.327 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.472 -7.618 4.335 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -4.959 -8.587 4.954 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.302 -7.215 4.504 1.00 0.00 O ATOM 0 H ASP A 74 -7.080 -8.348 4.390 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.380 -5.821 4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.598 -7.577 2.516 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.778 -6.073 2.886 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.025 -5.894 2.021 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.713 -5.062 1.042 1.00 0.00 C ATOM 1133 C ALA A 75 -9.350 -3.846 1.707 1.00 0.00 C ATOM 1134 O ALA A 75 -9.846 -3.928 2.829 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.767 -5.875 0.306 1.00 0.00 C ATOM 0 H ALA A 75 -8.157 -6.897 1.889 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.976 -4.706 0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.273 -5.241 -0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.290 -6.709 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.495 -6.259 1.021 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.331 -2.716 1.006 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.909 -1.499 1.544 1.00 0.00 C ATOM 1143 C GLY A 76 -9.424 -0.258 0.822 1.00 0.00 C ATOM 1144 O GLY A 76 -8.601 -0.344 -0.088 1.00 0.00 O ATOM 0 H GLY A 76 -8.925 -2.622 0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.995 -1.555 1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.661 -1.420 2.602 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.936 0.900 1.228 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.551 2.164 0.611 1.00 0.00 C ATOM 1150 C GLU A 77 -8.370 2.791 1.347 1.00 0.00 C ATOM 1151 O GLU A 77 -8.457 3.092 2.538 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.734 3.134 0.601 1.00 0.00 C ATOM 1153 CG GLU A 77 -11.552 3.083 -0.678 1.00 0.00 C ATOM 1154 CD GLU A 77 -13.015 3.407 -0.449 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -13.708 2.597 0.201 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -13.467 4.472 -0.919 1.00 0.00 O ATOM 0 H GLU A 77 -10.618 0.989 1.981 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.250 1.960 -0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.384 2.910 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.362 4.149 0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.136 3.787 -1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.469 2.090 -1.119 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.269 2.985 0.630 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.070 3.574 1.215 1.00 0.00 C ATOM 1165 C TYR A 78 -5.950 5.048 0.843 1.00 0.00 C ATOM 1166 O TYR A 78 -5.510 5.391 -0.255 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.826 2.816 0.749 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.800 1.368 1.183 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.427 1.016 2.474 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -5.149 0.352 0.302 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -4.402 -0.306 2.875 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.128 -0.972 0.694 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.753 -1.296 1.982 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.730 -2.614 2.376 1.00 0.00 O ATOM 0 H TYR A 78 -7.182 2.743 -0.357 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.150 3.497 2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.770 2.861 -0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.939 3.318 1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.152 1.789 3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.442 0.602 -0.707 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.109 -0.562 3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.403 -1.749 -0.003 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.640 -2.906 2.594 1.00 0.00 H new ATOM 1184 N THR A 79 -6.346 5.919 1.767 1.00 0.00 N ATOM 1185 CA THR A 79 -6.284 7.357 1.538 1.00 0.00 C ATOM 1186 C THR A 79 -4.943 7.928 1.984 1.00 0.00 C ATOM 1187 O THR A 79 -4.650 7.988 3.179 1.00 0.00 O ATOM 1188 CB THR A 79 -7.415 8.093 2.281 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.689 7.630 1.817 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.310 9.596 2.074 1.00 0.00 C ATOM 0 H THR A 79 -6.713 5.653 2.681 1.00 0.00 H new ATOM 0 HA THR A 79 -6.403 7.511 0.466 1.00 0.00 H new ATOM 0 HB THR A 79 -7.318 7.881 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.403 8.102 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.119 10.094 2.608 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.352 9.950 2.455 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.384 9.823 1.010 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.133 8.345 1.018 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.821 8.912 1.312 1.00 0.00 C ATOM 1200 C CYS A 80 -2.929 10.401 1.620 1.00 0.00 C ATOM 1201 O CYS A 80 -2.684 11.243 0.756 1.00 0.00 O ATOM 1202 CB CYS A 80 -1.871 8.690 0.134 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.891 7.175 0.252 1.00 0.00 S ATOM 0 H CYS A 80 -4.361 8.302 0.025 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.422 8.406 2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.452 8.663 -0.788 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.195 9.542 0.060 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.643 6.204 0.677 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.298 10.719 2.857 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.441 12.108 3.277 1.00 0.00 C ATOM 1211 C GLU A 81 -2.079 12.789 3.379 1.00 0.00 C ATOM 1212 O GLU A 81 -1.165 12.280 4.027 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.163 12.185 4.624 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.997 13.443 4.797 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.088 13.889 6.244 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -5.698 13.160 7.053 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -4.548 14.968 6.566 1.00 0.00 O ATOM 0 H GLU A 81 -3.503 10.034 3.585 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.033 12.629 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.809 11.314 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.426 12.135 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.565 14.246 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.001 13.265 4.412 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.951 13.943 2.732 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.702 14.695 2.749 1.00 0.00 C ATOM 1226 C VAL A 82 -0.937 16.142 3.165 1.00 0.00 C ATOM 1227 O VAL A 82 -2.050 16.521 3.526 1.00 0.00 O ATOM 1228 CB VAL A 82 -0.015 14.673 1.370 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.498 15.835 0.515 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.497 14.709 1.528 1.00 0.00 C ATOM 0 H VAL A 82 -2.697 14.378 2.189 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.052 14.212 3.478 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.282 13.745 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.002 15.804 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.576 15.760 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.262 16.776 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.966 14.693 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.786 15.619 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.824 13.841 2.100 1.00 0.00 H new ATOM 1240 N GLU A 83 0.120 16.947 3.110 1.00 0.00 N ATOM 1241 CA GLU A 83 0.028 18.354 3.482 1.00 0.00 C ATOM 1242 C GLU A 83 -1.352 18.915 3.150 1.00 0.00 C ATOM 1243 O GLU A 83 -2.162 19.168 4.041 1.00 0.00 O ATOM 1244 CB GLU A 83 1.107 19.166 2.763 1.00 0.00 C ATOM 1245 CG GLU A 83 2.303 18.337 2.327 1.00 0.00 C ATOM 1246 CD GLU A 83 2.955 17.600 3.481 1.00 0.00 C ATOM 1247 OE1 GLU A 83 2.397 16.571 3.917 1.00 0.00 O ATOM 1248 OE2 GLU A 83 4.020 18.053 3.949 1.00 0.00 O ATOM 0 H GLU A 83 1.049 16.649 2.812 1.00 0.00 H new ATOM 0 HA GLU A 83 0.183 18.430 4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.668 19.643 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.449 19.964 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.985 17.616 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.039 18.988 1.855 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.611 19.108 1.861 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.892 19.638 1.410 1.00 0.00 C ATOM 1257 C ALA A 84 -3.545 18.706 0.394 1.00 0.00 C ATOM 1258 O ALA A 84 -4.768 18.672 0.266 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.709 21.026 0.815 1.00 0.00 C ATOM 0 H ALA A 84 -0.951 18.905 1.110 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.552 19.710 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.674 21.409 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.294 21.694 1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.028 20.971 -0.034 1.00 0.00 H new ATOM 1265 N SER A 85 -2.720 17.952 -0.325 1.00 0.00 N ATOM 1266 CA SER A 85 -3.217 17.023 -1.333 1.00 0.00 C ATOM 1267 C SER A 85 -3.697 15.727 -0.688 1.00 0.00 C ATOM 1268 O SER A 85 -3.511 15.509 0.510 1.00 0.00 O ATOM 1269 CB SER A 85 -2.125 16.720 -2.361 1.00 0.00 C ATOM 1270 OG SER A 85 -2.196 17.613 -3.459 1.00 0.00 O ATOM 0 H SER A 85 -1.705 17.966 -0.228 1.00 0.00 H new ATOM 0 HA SER A 85 -4.062 17.492 -1.838 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.146 16.796 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.229 15.694 -2.715 1.00 0.00 H new ATOM 0 HG SER A 85 -1.929 17.146 -4.278 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.318 14.868 -1.490 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.825 13.592 -1.000 1.00 0.00 C ATOM 1278 C LYS A 86 -5.103 12.637 -2.156 1.00 0.00 C ATOM 1279 O LYS A 86 -5.464 13.064 -3.253 1.00 0.00 O ATOM 1280 CB LYS A 86 -6.101 13.807 -0.183 1.00 0.00 C ATOM 1281 CG LYS A 86 -5.854 14.429 1.180 1.00 0.00 C ATOM 1282 CD LYS A 86 -6.898 13.990 2.192 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.309 14.251 1.686 1.00 0.00 C ATOM 1284 NZ LYS A 86 -9.295 14.315 2.801 1.00 0.00 N ATOM 0 H LYS A 86 -4.482 15.033 -2.483 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.062 13.147 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.780 14.447 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.603 12.849 -0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.862 14.148 1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.866 15.515 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.777 12.928 2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.743 14.522 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.328 15.188 1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.597 13.462 0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.244 14.494 2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.296 13.412 3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.035 15.084 3.451 1.00 0.00 H new ATOM 1298 N SER A 87 -4.935 11.343 -1.902 1.00 0.00 N ATOM 1299 CA SER A 87 -5.166 10.328 -2.923 1.00 0.00 C ATOM 1300 C SER A 87 -5.857 9.105 -2.327 1.00 0.00 C ATOM 1301 O SER A 87 -5.607 8.733 -1.180 1.00 0.00 O ATOM 1302 CB SER A 87 -3.843 9.915 -3.571 1.00 0.00 C ATOM 1303 OG SER A 87 -4.065 9.215 -4.783 1.00 0.00 O ATOM 0 H SER A 87 -4.640 10.973 -0.998 1.00 0.00 H new ATOM 0 HA SER A 87 -5.817 10.757 -3.685 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.237 10.800 -3.765 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.278 9.286 -2.883 1.00 0.00 H new ATOM 0 HG SER A 87 -4.294 8.283 -4.585 1.00 0.00 H new ATOM 1309 N THR A 88 -6.729 8.483 -3.114 1.00 0.00 N ATOM 1310 CA THR A 88 -7.458 7.303 -2.665 1.00 0.00 C ATOM 1311 C THR A 88 -7.311 6.156 -3.658 1.00 0.00 C ATOM 1312 O THR A 88 -7.114 6.377 -4.852 1.00 0.00 O ATOM 1313 CB THR A 88 -8.955 7.608 -2.469 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.121 8.629 -1.478 1.00 0.00 O ATOM 1315 CG2 THR A 88 -9.711 6.358 -2.047 1.00 0.00 C ATOM 0 H THR A 88 -6.948 8.777 -4.066 1.00 0.00 H new ATOM 0 HA THR A 88 -7.026 7.010 -1.708 1.00 0.00 H new ATOM 0 HB THR A 88 -9.360 7.955 -3.420 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.075 8.819 -1.360 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.766 6.598 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.607 5.593 -2.816 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.303 5.986 -1.107 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.409 4.929 -3.156 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.289 3.747 -4.000 1.00 0.00 C ATOM 1325 C ALA A 89 -8.022 2.558 -3.386 1.00 0.00 C ATOM 1326 O ALA A 89 -8.015 2.374 -2.169 1.00 0.00 O ATOM 1327 CB ALA A 89 -5.824 3.406 -4.227 1.00 0.00 C ATOM 0 H ALA A 89 -7.571 4.728 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.752 3.969 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.750 2.521 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.327 4.244 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.344 3.208 -3.269 1.00 0.00 H new ATOM 1333 N SER A 90 -8.653 1.755 -4.236 1.00 0.00 N ATOM 1334 CA SER A 90 -9.394 0.586 -3.777 1.00 0.00 C ATOM 1335 C SER A 90 -8.620 -0.697 -4.067 1.00 0.00 C ATOM 1336 O SER A 90 -8.350 -1.025 -5.223 1.00 0.00 O ATOM 1337 CB SER A 90 -10.767 0.530 -4.449 1.00 0.00 C ATOM 1338 OG SER A 90 -11.737 1.229 -3.688 1.00 0.00 O ATOM 0 H SER A 90 -8.666 1.892 -5.247 1.00 0.00 H new ATOM 0 HA SER A 90 -9.528 0.672 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.704 0.961 -5.448 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.074 -0.509 -4.569 1.00 0.00 H new ATOM 0 HG SER A 90 -12.605 1.180 -4.140 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.266 -1.418 -3.009 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.523 -2.666 -3.148 1.00 0.00 C ATOM 1346 C LEU A 91 -8.471 -3.855 -3.257 1.00 0.00 C ATOM 1347 O LEU A 91 -9.424 -3.976 -2.486 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.581 -2.857 -1.958 1.00 0.00 C ATOM 1349 CG LEU A 91 -5.979 -4.253 -1.796 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.043 -4.568 -2.953 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.244 -4.366 -0.468 1.00 0.00 C ATOM 0 H LEU A 91 -8.481 -1.160 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.934 -2.610 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.765 -2.140 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.125 -2.610 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.790 -4.981 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.624 -5.565 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.597 -4.529 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.236 -3.836 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.822 -5.366 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.442 -3.629 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.941 -4.184 0.350 1.00 0.00 H new ATOM 1363 N HIS A 92 -8.203 -4.733 -4.219 1.00 0.00 N ATOM 1364 CA HIS A 92 -9.031 -5.916 -4.427 1.00 0.00 C ATOM 1365 C HIS A 92 -8.228 -7.191 -4.188 1.00 0.00 C ATOM 1366 O HIS A 92 -7.161 -7.383 -4.772 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.606 -5.919 -5.844 1.00 0.00 C ATOM 1368 CG HIS A 92 -10.269 -4.631 -6.224 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -11.609 -4.383 -6.013 1.00 0.00 N ATOM 1370 CD2 HIS A 92 -9.768 -3.515 -6.804 1.00 0.00 C ATOM 1371 CE1 HIS A 92 -11.904 -3.171 -6.448 1.00 0.00 C ATOM 1372 NE2 HIS A 92 -10.804 -2.623 -6.932 1.00 0.00 N ATOM 0 H HIS A 92 -7.419 -4.648 -4.866 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.851 -5.885 -3.710 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.804 -6.128 -6.552 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.329 -6.730 -5.932 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.744 -3.356 -7.109 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.879 -2.707 -6.414 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.735 -1.689 -7.335 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.747 -8.059 -3.325 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.078 -9.315 -3.009 1.00 0.00 C ATOM 1383 C VAL A 93 -9.020 -10.500 -3.192 1.00 0.00 C ATOM 1384 O VAL A 93 -9.951 -10.691 -2.411 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.542 -9.318 -1.565 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -6.844 -10.634 -1.257 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.602 -8.142 -1.344 1.00 0.00 C ATOM 0 H VAL A 93 -9.629 -7.915 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.240 -9.410 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.385 -9.213 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.472 -10.617 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.550 -11.456 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.009 -10.773 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.232 -8.159 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.761 -8.214 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.138 -7.210 -1.521 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.770 -11.293 -4.230 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.596 -12.460 -4.515 1.00 0.00 C ATOM 1399 C GLU A 94 -8.737 -13.639 -4.963 1.00 0.00 C ATOM 1400 O GLU A 94 -7.803 -13.476 -5.748 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.630 -12.128 -5.594 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.589 -11.019 -5.197 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.733 -10.858 -6.179 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -13.721 -11.614 -6.068 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -12.641 -9.976 -7.059 1.00 0.00 O ATOM 0 H GLU A 94 -8.003 -11.148 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.115 -12.740 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.110 -11.838 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.202 -13.026 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.992 -11.230 -4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.042 -10.079 -5.125 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.061 -14.825 -4.459 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.318 -16.031 -4.806 1.00 0.00 C ATOM 1414 C GLU A 95 -8.743 -16.556 -6.174 1.00 0.00 C ATOM 1415 O GLU A 95 -9.928 -16.568 -6.507 1.00 0.00 O ATOM 1416 CB GLU A 95 -8.530 -17.111 -3.744 1.00 0.00 C ATOM 1417 CG GLU A 95 -7.356 -18.065 -3.602 1.00 0.00 C ATOM 1418 CD GLU A 95 -7.458 -19.259 -4.531 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -8.575 -19.797 -4.684 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -6.422 -19.655 -5.105 1.00 0.00 O ATOM 0 H GLU A 95 -9.833 -14.977 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.259 -15.776 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.716 -16.632 -2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.424 -17.683 -3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.430 -17.528 -3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.300 -18.415 -2.571 1.00 0.00 H new ATOM 1427 N LYS A 96 -7.767 -16.990 -6.964 1.00 0.00 N ATOM 1428 CA LYS A 96 -8.037 -17.518 -8.296 1.00 0.00 C ATOM 1429 C LYS A 96 -9.119 -18.593 -8.246 1.00 0.00 C ATOM 1430 O LYS A 96 -8.905 -19.677 -7.706 1.00 0.00 O ATOM 1431 CB LYS A 96 -6.759 -18.095 -8.908 1.00 0.00 C ATOM 1432 CG LYS A 96 -5.668 -17.060 -9.125 1.00 0.00 C ATOM 1433 CD LYS A 96 -4.431 -17.677 -9.756 1.00 0.00 C ATOM 1434 CE LYS A 96 -3.369 -16.627 -10.043 1.00 0.00 C ATOM 1435 NZ LYS A 96 -3.599 -15.947 -11.347 1.00 0.00 N ATOM 0 H LYS A 96 -6.781 -16.986 -6.704 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.392 -16.697 -8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.378 -18.882 -8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.002 -18.561 -9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.044 -16.262 -9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.402 -16.605 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.022 -18.437 -9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.707 -18.180 -10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.365 -15.887 -9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.386 -17.097 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.854 -15.239 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.578 -16.650 -12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.527 -15.477 -11.334 1.00 0.00 H new ATOM 1449 N ALA A 97 -10.280 -18.284 -8.814 1.00 0.00 N ATOM 1450 CA ALA A 97 -11.393 -19.225 -8.837 1.00 0.00 C ATOM 1451 C ALA A 97 -10.985 -20.542 -9.487 1.00 0.00 C ATOM 1452 O ALA A 97 -10.265 -20.556 -10.486 1.00 0.00 O ATOM 1453 CB ALA A 97 -12.581 -18.618 -9.570 1.00 0.00 C ATOM 0 H ALA A 97 -10.474 -17.390 -9.264 1.00 0.00 H new ATOM 0 HA ALA A 97 -11.683 -19.433 -7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -13.405 -19.331 -9.580 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.896 -17.707 -9.061 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.294 -18.381 -10.594 1.00 0.00 H new ATOM 1459 N SER A 98 -11.449 -21.648 -8.914 1.00 0.00 N ATOM 1460 CA SER A 98 -11.128 -22.972 -9.435 1.00 0.00 C ATOM 1461 C SER A 98 -12.302 -23.545 -10.222 1.00 0.00 C ATOM 1462 O SER A 98 -12.170 -23.884 -11.398 1.00 0.00 O ATOM 1463 CB SER A 98 -10.756 -23.917 -8.291 1.00 0.00 C ATOM 1464 OG SER A 98 -10.199 -25.122 -8.786 1.00 0.00 O ATOM 0 H SER A 98 -12.048 -21.654 -8.089 1.00 0.00 H new ATOM 0 HA SER A 98 -10.276 -22.874 -10.107 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.042 -23.428 -7.629 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.642 -24.140 -7.696 1.00 0.00 H new ATOM 0 HG SER A 98 -9.968 -25.708 -8.035 1.00 0.00 H new ATOM 1470 N GLY A 99 -13.453 -23.650 -9.564 1.00 0.00 N ATOM 1471 CA GLY A 99 -14.634 -24.183 -10.217 1.00 0.00 C ATOM 1472 C GLY A 99 -15.563 -24.888 -9.249 1.00 0.00 C ATOM 1473 O GLY A 99 -15.132 -25.467 -8.252 1.00 0.00 O ATOM 0 H GLY A 99 -13.588 -23.376 -8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.172 -23.371 -10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.330 -24.880 -10.998 1.00 0.00 H new ATOM 1477 N PRO A 100 -16.872 -24.844 -9.540 1.00 0.00 N ATOM 1478 CA PRO A 100 -17.892 -25.478 -8.699 1.00 0.00 C ATOM 1479 C PRO A 100 -17.829 -27.001 -8.761 1.00 0.00 C ATOM 1480 O PRO A 100 -17.276 -27.571 -9.701 1.00 0.00 O ATOM 1481 CB PRO A 100 -19.208 -24.973 -9.295 1.00 0.00 C ATOM 1482 CG PRO A 100 -18.883 -24.651 -10.713 1.00 0.00 C ATOM 1483 CD PRO A 100 -17.457 -24.173 -10.713 1.00 0.00 C ATOM 0 HA PRO A 100 -17.763 -25.230 -7.645 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -19.989 -25.731 -9.230 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -19.572 -24.094 -8.763 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -19.000 -25.528 -11.349 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -19.552 -23.883 -11.102 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.941 -24.449 -11.633 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -17.397 -23.088 -10.627 1.00 0.00 H new ATOM 1491 N SER A 101 -18.401 -27.653 -7.754 1.00 0.00 N ATOM 1492 CA SER A 101 -18.407 -29.110 -7.692 1.00 0.00 C ATOM 1493 C SER A 101 -19.823 -29.655 -7.853 1.00 0.00 C ATOM 1494 O SER A 101 -20.484 -29.996 -6.872 1.00 0.00 O ATOM 1495 CB SER A 101 -17.812 -29.588 -6.366 1.00 0.00 C ATOM 1496 OG SER A 101 -17.981 -30.986 -6.205 1.00 0.00 O ATOM 0 H SER A 101 -18.866 -27.196 -6.970 1.00 0.00 H new ATOM 0 HA SER A 101 -17.796 -29.486 -8.513 1.00 0.00 H new ATOM 0 HB2 SER A 101 -16.751 -29.340 -6.330 1.00 0.00 H new ATOM 0 HB3 SER A 101 -18.290 -29.063 -5.539 1.00 0.00 H new ATOM 0 HG SER A 101 -17.591 -31.266 -5.351 1.00 0.00 H new ATOM 1502 N SER A 102 -20.282 -29.733 -9.098 1.00 0.00 N ATOM 1503 CA SER A 102 -21.621 -30.232 -9.389 1.00 0.00 C ATOM 1504 C SER A 102 -21.556 -31.596 -10.071 1.00 0.00 C ATOM 1505 O SER A 102 -20.584 -31.915 -10.754 1.00 0.00 O ATOM 1506 CB SER A 102 -22.375 -29.241 -10.277 1.00 0.00 C ATOM 1507 OG SER A 102 -22.736 -28.078 -9.552 1.00 0.00 O ATOM 0 H SER A 102 -19.747 -29.457 -9.921 1.00 0.00 H new ATOM 0 HA SER A 102 -22.154 -30.342 -8.445 1.00 0.00 H new ATOM 0 HB2 SER A 102 -21.753 -28.964 -11.128 1.00 0.00 H new ATOM 0 HB3 SER A 102 -23.270 -29.716 -10.678 1.00 0.00 H new ATOM 0 HG SER A 102 -23.215 -27.460 -10.143 1.00 0.00 H new ATOM 1513 N GLY A 103 -22.600 -32.396 -9.879 1.00 0.00 N ATOM 1514 CA GLY A 103 -22.642 -33.716 -10.480 1.00 0.00 C ATOM 1515 C GLY A 103 -21.768 -34.715 -9.749 1.00 0.00 C ATOM 1516 O GLY A 103 -20.594 -34.450 -9.489 1.00 0.00 O ATOM 0 H GLY A 103 -23.417 -32.154 -9.318 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -23.671 -34.076 -10.487 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -22.320 -33.649 -11.519 1.00 0.00 H new TER 1520 GLY A 103