USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 TYR OH : rot 180:sc= 0.0472 USER MOD Set 1.2: A 42 LYS NZ :NH3+ 154:sc= -0.179 (180deg=-1.45!) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= -0.277 USER MOD Set 2.2: A 29 GLN : amide:sc= 1.32 K(o=1,f=-0.92!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -152:sc= -0.173 (180deg=-1.27) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= 0.026 (180deg=-0.0752) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 HIS : no HE2:sc= -1.08! C(o=-1.1!,f=-5.9!) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -15:sc= 0.82 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0341 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.147) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0415 USER MOD Single : A 23 ASN : amide:sc= -3.88! K(o=-3.9!,f=-2.2) USER MOD Single : A 28 GLN : amide:sc= 0.0197 K(o=0.02,f=-2.2) USER MOD Single : A 32 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= -1.06 (180deg=-1.27) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 43 GLN : amide:sc= -2.6! K(o=-2.6!,f=-3.1) USER MOD Single : A 46 MET CE :methyl -179:sc= 0 (180deg=-0.000857) USER MOD Single : A 53 THR OG1 : rot 132:sc= 0.028! USER MOD Single : A 55 TYR OH : rot -38:sc= 0.551 USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= -0.0239 (180deg=-0.368) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.9!) USER MOD Single : A 64 ASN : amide:sc= -0.534 K(o=-0.53,f=-1.3) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.723 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -97:sc= 0.994 USER MOD Single : A 70 ASN : amide:sc= -2.45 K(o=-2.4,f=-8.1!) USER MOD Single : A 71 LYS NZ :NH3+ -136:sc= 0 (180deg=-1.61!) USER MOD Single : A 75 CYS SG : rot -117:sc= -1.89 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-4.3!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.765 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 61.904 19.977 22.627 1.00 0.00 N ATOM 2 CA GLY A -3 63.328 20.038 23.061 1.00 0.00 C ATOM 3 C GLY A -3 64.236 19.936 21.841 1.00 0.00 C ATOM 4 O GLY A -3 64.939 20.885 21.498 1.00 0.00 O ATOM 0 H1 GLY A -3 61.284 20.047 23.459 1.00 0.00 H new ATOM 0 H2 GLY A -3 61.704 20.766 21.980 1.00 0.00 H new ATOM 0 H3 GLY A -3 61.728 19.076 22.139 1.00 0.00 H new ATOM 0 HA2 GLY A -3 63.518 20.971 23.592 1.00 0.00 H new ATOM 0 HA3 GLY A -3 63.543 19.226 23.756 1.00 0.00 H new ATOM 10 N SER A -2 64.215 18.779 21.190 1.00 0.00 N ATOM 11 CA SER A -2 65.043 18.561 20.008 1.00 0.00 C ATOM 12 C SER A -2 66.516 18.464 20.396 1.00 0.00 C ATOM 13 O SER A -2 67.385 18.321 19.538 1.00 0.00 O ATOM 14 CB SER A -2 64.853 19.713 19.020 1.00 0.00 C ATOM 15 OG SER A -2 65.031 19.230 17.696 1.00 0.00 O ATOM 0 H SER A -2 63.638 17.982 21.458 1.00 0.00 H new ATOM 0 HA SER A -2 64.738 17.624 19.541 1.00 0.00 H new ATOM 0 HB2 SER A -2 63.858 20.143 19.132 1.00 0.00 H new ATOM 0 HB3 SER A -2 65.569 20.508 19.229 1.00 0.00 H new ATOM 0 HG SER A -2 64.908 19.966 17.060 1.00 0.00 H new ATOM 21 N HIS A -1 66.786 18.541 21.695 1.00 0.00 N ATOM 22 CA HIS A -1 68.158 18.460 22.188 1.00 0.00 C ATOM 23 C HIS A -1 68.436 17.077 22.770 1.00 0.00 C ATOM 24 O HIS A -1 69.475 16.854 23.392 1.00 0.00 O ATOM 25 CB HIS A -1 68.392 19.524 23.261 1.00 0.00 C ATOM 26 CG HIS A -1 68.266 20.892 22.647 1.00 0.00 C ATOM 27 ND1 HIS A -1 67.041 21.518 22.487 1.00 0.00 N ATOM 28 CD2 HIS A -1 69.202 21.764 22.147 1.00 0.00 C ATOM 29 CE1 HIS A -1 67.269 22.714 21.913 1.00 0.00 C ATOM 30 NE2 HIS A -1 68.569 22.915 21.685 1.00 0.00 N ATOM 0 H HIS A -1 66.080 18.658 22.421 1.00 0.00 H new ATOM 0 HA HIS A -1 68.836 18.634 21.352 1.00 0.00 H new ATOM 0 HB2 HIS A -1 67.668 19.408 24.068 1.00 0.00 H new ATOM 0 HB3 HIS A -1 69.382 19.401 23.701 1.00 0.00 H new ATOM 0 HD1 HIS A -1 66.132 21.141 22.755 1.00 0.00 H new ATOM 0 HD2 HIS A -1 70.267 21.584 22.117 1.00 0.00 H new ATOM 0 HE1 HIS A -1 66.494 23.425 21.667 1.00 0.00 H new ATOM 38 N MET A 0 67.502 16.154 22.566 1.00 0.00 N ATOM 39 CA MET A 0 67.660 14.798 23.076 1.00 0.00 C ATOM 40 C MET A 0 66.555 13.894 22.542 1.00 0.00 C ATOM 41 O MET A 0 65.429 13.917 23.042 1.00 0.00 O ATOM 42 CB MET A 0 67.616 14.806 24.605 1.00 0.00 C ATOM 43 CG MET A 0 68.054 13.441 25.139 1.00 0.00 C ATOM 44 SD MET A 0 66.852 12.855 26.357 1.00 0.00 S ATOM 45 CE MET A 0 67.899 11.588 27.115 1.00 0.00 C ATOM 0 H MET A 0 66.635 16.318 22.055 1.00 0.00 H new ATOM 0 HA MET A 0 68.624 14.415 22.741 1.00 0.00 H new ATOM 0 HB2 MET A 0 68.270 15.587 24.993 1.00 0.00 H new ATOM 0 HB3 MET A 0 66.607 15.035 24.949 1.00 0.00 H new ATOM 0 HG2 MET A 0 68.135 12.727 24.319 1.00 0.00 H new ATOM 0 HG3 MET A 0 69.041 13.517 25.594 1.00 0.00 H new ATOM 0 HE1 MET A 0 67.347 11.088 27.911 1.00 0.00 H new ATOM 0 HE2 MET A 0 68.190 10.857 26.360 1.00 0.00 H new ATOM 0 HE3 MET A 0 68.792 12.055 27.531 1.00 0.00 H new ATOM 55 N MET A 1 66.883 13.102 21.525 1.00 0.00 N ATOM 56 CA MET A 1 65.910 12.193 20.927 1.00 0.00 C ATOM 57 C MET A 1 66.447 10.767 20.918 1.00 0.00 C ATOM 58 O MET A 1 67.642 10.543 20.722 1.00 0.00 O ATOM 59 CB MET A 1 65.605 12.636 19.493 1.00 0.00 C ATOM 60 CG MET A 1 65.049 14.064 19.499 1.00 0.00 C ATOM 61 SD MET A 1 63.471 14.101 20.385 1.00 0.00 S ATOM 62 CE MET A 1 62.510 13.132 19.194 1.00 0.00 C ATOM 0 H MET A 1 67.810 13.071 21.100 1.00 0.00 H new ATOM 0 HA MET A 1 64.996 12.220 21.521 1.00 0.00 H new ATOM 0 HB2 MET A 1 66.511 12.591 18.888 1.00 0.00 H new ATOM 0 HB3 MET A 1 64.884 11.957 19.038 1.00 0.00 H new ATOM 0 HG2 MET A 1 65.760 14.739 19.975 1.00 0.00 H new ATOM 0 HG3 MET A 1 64.911 14.415 18.476 1.00 0.00 H new ATOM 0 HE1 MET A 1 61.461 13.425 19.248 1.00 0.00 H new ATOM 0 HE2 MET A 1 62.886 13.316 18.188 1.00 0.00 H new ATOM 0 HE3 MET A 1 62.603 12.072 19.428 1.00 0.00 H new ATOM 72 N ALA A 2 65.554 9.806 21.130 1.00 0.00 N ATOM 73 CA ALA A 2 65.943 8.402 21.145 1.00 0.00 C ATOM 74 C ALA A 2 66.382 7.953 19.756 1.00 0.00 C ATOM 75 O ALA A 2 65.881 8.451 18.747 1.00 0.00 O ATOM 76 CB ALA A 2 64.772 7.538 21.614 1.00 0.00 C ATOM 0 H ALA A 2 64.561 9.973 21.293 1.00 0.00 H new ATOM 0 HA ALA A 2 66.779 8.285 21.835 1.00 0.00 H new ATOM 0 HB1 ALA A 2 65.073 6.490 21.622 1.00 0.00 H new ATOM 0 HB2 ALA A 2 64.478 7.838 22.620 1.00 0.00 H new ATOM 0 HB3 ALA A 2 63.929 7.668 20.935 1.00 0.00 H new ATOM 82 N THR A 3 67.322 7.013 19.712 1.00 0.00 N ATOM 83 CA THR A 3 67.826 6.503 18.440 1.00 0.00 C ATOM 84 C THR A 3 67.816 4.977 18.435 1.00 0.00 C ATOM 85 O THR A 3 67.714 4.344 19.486 1.00 0.00 O ATOM 86 CB THR A 3 69.250 7.007 18.200 1.00 0.00 C ATOM 87 OG1 THR A 3 70.108 6.504 19.215 1.00 0.00 O ATOM 88 CG2 THR A 3 69.262 8.536 18.230 1.00 0.00 C ATOM 0 H THR A 3 67.748 6.591 20.537 1.00 0.00 H new ATOM 0 HA THR A 3 67.176 6.863 17.642 1.00 0.00 H new ATOM 0 HB THR A 3 69.599 6.661 17.227 1.00 0.00 H new ATOM 0 HG1 THR A 3 71.021 6.825 19.061 1.00 0.00 H new ATOM 0 HG21 THR A 3 70.277 8.895 18.059 1.00 0.00 H new ATOM 0 HG22 THR A 3 68.605 8.920 17.450 1.00 0.00 H new ATOM 0 HG23 THR A 3 68.913 8.884 19.202 1.00 0.00 H new ATOM 96 N SER A 4 67.923 4.393 17.246 1.00 0.00 N ATOM 97 CA SER A 4 67.926 2.941 17.122 1.00 0.00 C ATOM 98 C SER A 4 68.980 2.496 16.110 1.00 0.00 C ATOM 99 O SER A 4 69.332 3.242 15.198 1.00 0.00 O ATOM 100 CB SER A 4 66.547 2.454 16.672 1.00 0.00 C ATOM 101 OG SER A 4 66.279 2.948 15.366 1.00 0.00 O ATOM 0 H SER A 4 68.008 4.897 16.363 1.00 0.00 H new ATOM 0 HA SER A 4 68.164 2.510 18.094 1.00 0.00 H new ATOM 0 HB2 SER A 4 66.514 1.365 16.675 1.00 0.00 H new ATOM 0 HB3 SER A 4 65.782 2.798 17.368 1.00 0.00 H new ATOM 0 HG SER A 4 65.397 2.637 15.073 1.00 0.00 H new ATOM 107 N ASP A 5 69.479 1.276 16.283 1.00 0.00 N ATOM 108 CA ASP A 5 70.494 0.742 15.383 1.00 0.00 C ATOM 109 C ASP A 5 70.381 -0.777 15.285 1.00 0.00 C ATOM 110 O ASP A 5 70.667 -1.491 16.245 1.00 0.00 O ATOM 111 CB ASP A 5 71.887 1.123 15.886 1.00 0.00 C ATOM 112 CG ASP A 5 72.940 0.731 14.855 1.00 0.00 C ATOM 113 OD1 ASP A 5 72.779 1.103 13.704 1.00 0.00 O ATOM 114 OD2 ASP A 5 73.893 0.071 15.232 1.00 0.00 O ATOM 0 H ASP A 5 69.199 0.643 17.032 1.00 0.00 H new ATOM 0 HA ASP A 5 70.336 1.168 14.392 1.00 0.00 H new ATOM 0 HB2 ASP A 5 71.933 2.195 16.075 1.00 0.00 H new ATOM 0 HB3 ASP A 5 72.090 0.623 16.833 1.00 0.00 H new ATOM 119 N VAL A 6 69.961 -1.261 14.122 1.00 0.00 N ATOM 120 CA VAL A 6 69.813 -2.697 13.916 1.00 0.00 C ATOM 121 C VAL A 6 71.166 -3.343 13.642 1.00 0.00 C ATOM 122 O VAL A 6 71.857 -2.982 12.689 1.00 0.00 O ATOM 123 CB VAL A 6 68.877 -2.960 12.738 1.00 0.00 C ATOM 124 CG1 VAL A 6 68.820 -4.462 12.453 1.00 0.00 C ATOM 125 CG2 VAL A 6 67.474 -2.453 13.081 1.00 0.00 C ATOM 0 H VAL A 6 69.719 -0.687 13.314 1.00 0.00 H new ATOM 0 HA VAL A 6 69.392 -3.132 14.822 1.00 0.00 H new ATOM 0 HB VAL A 6 69.249 -2.438 11.856 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.152 -4.648 11.612 1.00 0.00 H new ATOM 0 HG12 VAL A 6 69.819 -4.824 12.210 1.00 0.00 H new ATOM 0 HG13 VAL A 6 68.449 -4.986 13.334 1.00 0.00 H new ATOM 0 HG21 VAL A 6 66.804 -2.640 12.241 1.00 0.00 H new ATOM 0 HG22 VAL A 6 67.104 -2.975 13.963 1.00 0.00 H new ATOM 0 HG23 VAL A 6 67.513 -1.383 13.283 1.00 0.00 H new ATOM 135 N LYS A 7 71.536 -4.302 14.484 1.00 0.00 N ATOM 136 CA LYS A 7 72.807 -4.992 14.322 1.00 0.00 C ATOM 137 C LYS A 7 72.707 -6.062 13.236 1.00 0.00 C ATOM 138 O LYS A 7 71.626 -6.590 12.973 1.00 0.00 O ATOM 139 CB LYS A 7 73.231 -5.639 15.646 1.00 0.00 C ATOM 140 CG LYS A 7 73.814 -4.572 16.575 1.00 0.00 C ATOM 141 CD LYS A 7 72.753 -3.511 16.870 1.00 0.00 C ATOM 142 CE LYS A 7 73.176 -2.689 18.086 1.00 0.00 C ATOM 143 NZ LYS A 7 74.443 -1.966 17.778 1.00 0.00 N ATOM 0 H LYS A 7 70.978 -4.616 15.278 1.00 0.00 H new ATOM 0 HA LYS A 7 73.556 -4.259 14.023 1.00 0.00 H new ATOM 0 HB2 LYS A 7 72.374 -6.119 16.119 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.970 -6.418 15.461 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.152 -5.030 17.504 1.00 0.00 H new ATOM 0 HG3 LYS A 7 74.686 -4.110 16.112 1.00 0.00 H new ATOM 0 HD2 LYS A 7 72.624 -2.860 16.005 1.00 0.00 H new ATOM 0 HD3 LYS A 7 71.790 -3.987 17.057 1.00 0.00 H new ATOM 0 HE2 LYS A 7 72.393 -1.978 18.348 1.00 0.00 H new ATOM 0 HE3 LYS A 7 73.317 -3.341 18.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 74.617 -1.244 18.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 75.234 -2.641 17.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.364 -1.507 16.848 1.00 0.00 H new ATOM 157 N PRO A 8 73.811 -6.394 12.620 1.00 0.00 N ATOM 158 CA PRO A 8 73.854 -7.435 11.553 1.00 0.00 C ATOM 159 C PRO A 8 73.518 -8.822 12.087 1.00 0.00 C ATOM 160 O PRO A 8 73.640 -9.086 13.282 1.00 0.00 O ATOM 161 CB PRO A 8 75.296 -7.379 11.045 1.00 0.00 C ATOM 162 CG PRO A 8 76.087 -6.744 12.128 1.00 0.00 C ATOM 163 CD PRO A 8 75.135 -5.807 12.861 1.00 0.00 C ATOM 0 HA PRO A 8 73.117 -7.248 10.772 1.00 0.00 H new ATOM 0 HB2 PRO A 8 75.670 -8.378 10.823 1.00 0.00 H new ATOM 0 HB3 PRO A 8 75.363 -6.801 10.123 1.00 0.00 H new ATOM 0 HG2 PRO A 8 76.491 -7.496 12.806 1.00 0.00 H new ATOM 0 HG3 PRO A 8 76.935 -6.195 11.719 1.00 0.00 H new ATOM 0 HD2 PRO A 8 75.363 -5.758 13.926 1.00 0.00 H new ATOM 0 HD3 PRO A 8 75.198 -4.790 12.474 1.00 0.00 H new ATOM 171 N LYS A 9 73.087 -9.704 11.192 1.00 0.00 N ATOM 172 CA LYS A 9 72.731 -11.059 11.587 1.00 0.00 C ATOM 173 C LYS A 9 73.888 -12.022 11.347 1.00 0.00 C ATOM 174 O LYS A 9 74.145 -12.914 12.155 1.00 0.00 O ATOM 175 CB LYS A 9 71.505 -11.528 10.806 1.00 0.00 C ATOM 176 CG LYS A 9 70.891 -12.769 11.477 1.00 0.00 C ATOM 177 CD LYS A 9 69.376 -12.605 11.561 1.00 0.00 C ATOM 178 CE LYS A 9 69.026 -11.662 12.715 1.00 0.00 C ATOM 179 NZ LYS A 9 68.746 -12.458 13.941 1.00 0.00 N ATOM 0 H LYS A 9 72.977 -9.507 10.197 1.00 0.00 H new ATOM 0 HA LYS A 9 72.503 -11.050 12.653 1.00 0.00 H new ATOM 0 HB2 LYS A 9 70.766 -10.728 10.759 1.00 0.00 H new ATOM 0 HB3 LYS A 9 71.786 -11.762 9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 9 71.140 -13.664 10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 9 71.309 -12.900 12.475 1.00 0.00 H new ATOM 0 HD2 LYS A 9 68.990 -12.207 10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 9 68.903 -13.575 11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 9 69.850 -10.972 12.897 1.00 0.00 H new ATOM 0 HE3 LYS A 9 68.157 -11.058 12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 68.508 -11.817 14.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 67.947 -13.099 13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 69.587 -13.015 14.193 1.00 0.00 H new ATOM 193 N SER A 10 74.580 -11.836 10.228 1.00 0.00 N ATOM 194 CA SER A 10 75.707 -12.693 9.887 1.00 0.00 C ATOM 195 C SER A 10 76.607 -12.014 8.858 1.00 0.00 C ATOM 196 O SER A 10 76.234 -11.005 8.262 1.00 0.00 O ATOM 197 CB SER A 10 75.201 -14.024 9.329 1.00 0.00 C ATOM 198 OG SER A 10 74.406 -14.672 10.313 1.00 0.00 O ATOM 0 H SER A 10 74.381 -11.104 9.546 1.00 0.00 H new ATOM 0 HA SER A 10 76.286 -12.876 10.792 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.615 -13.854 8.426 1.00 0.00 H new ATOM 0 HB3 SER A 10 76.042 -14.658 9.049 1.00 0.00 H new ATOM 0 HG SER A 10 74.552 -14.247 11.184 1.00 0.00 H new ATOM 204 N ILE A 11 77.794 -12.572 8.660 1.00 0.00 N ATOM 205 CA ILE A 11 78.743 -12.023 7.697 1.00 0.00 C ATOM 206 C ILE A 11 79.288 -13.128 6.798 1.00 0.00 C ATOM 207 O ILE A 11 79.671 -14.194 7.279 1.00 0.00 O ATOM 208 CB ILE A 11 79.891 -11.324 8.422 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.326 -10.221 9.326 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.842 -10.708 7.395 1.00 0.00 C ATOM 211 CD1 ILE A 11 79.177 -10.757 10.751 1.00 0.00 C ATOM 0 H ILE A 11 78.123 -13.403 9.152 1.00 0.00 H new ATOM 0 HA ILE A 11 78.222 -11.293 7.078 1.00 0.00 H new ATOM 0 HB ILE A 11 80.434 -12.048 9.029 1.00 0.00 H new ATOM 0 HG12 ILE A 11 79.988 -9.355 9.319 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.360 -9.886 8.949 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.662 -10.209 7.912 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.242 -11.493 6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.301 -9.983 6.787 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.776 -9.974 11.394 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.498 -11.609 10.750 1.00 0.00 H new ATOM 0 HD13 ILE A 11 80.151 -11.070 11.126 1.00 0.00 H new ATOM 223 N SER A 12 79.314 -12.866 5.495 1.00 0.00 N ATOM 224 CA SER A 12 79.805 -13.841 4.527 1.00 0.00 C ATOM 225 C SER A 12 80.931 -13.245 3.692 1.00 0.00 C ATOM 226 O SER A 12 81.290 -12.081 3.863 1.00 0.00 O ATOM 227 CB SER A 12 78.668 -14.298 3.613 1.00 0.00 C ATOM 228 OG SER A 12 79.093 -15.433 2.871 1.00 0.00 O ATOM 0 H SER A 12 79.001 -11.986 5.085 1.00 0.00 H new ATOM 0 HA SER A 12 80.191 -14.702 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 12 77.786 -14.545 4.205 1.00 0.00 H new ATOM 0 HB3 SER A 12 78.383 -13.492 2.937 1.00 0.00 H new ATOM 0 HG SER A 12 78.367 -15.731 2.284 1.00 0.00 H new ATOM 234 N ARG A 13 81.480 -14.051 2.787 1.00 0.00 N ATOM 235 CA ARG A 13 82.563 -13.595 1.923 1.00 0.00 C ATOM 236 C ARG A 13 82.128 -13.615 0.461 1.00 0.00 C ATOM 237 O ARG A 13 81.585 -14.608 -0.023 1.00 0.00 O ATOM 238 CB ARG A 13 83.787 -14.492 2.107 1.00 0.00 C ATOM 239 CG ARG A 13 84.171 -14.536 3.589 1.00 0.00 C ATOM 240 CD ARG A 13 83.625 -15.819 4.218 1.00 0.00 C ATOM 241 NE ARG A 13 84.316 -16.981 3.672 1.00 0.00 N ATOM 242 CZ ARG A 13 83.784 -18.197 3.750 1.00 0.00 C ATOM 243 NH1 ARG A 13 82.622 -18.365 4.322 1.00 0.00 N ATOM 244 NH2 ARG A 13 84.421 -19.221 3.254 1.00 0.00 N ATOM 0 H ARG A 13 81.194 -15.018 2.634 1.00 0.00 H new ATOM 0 HA ARG A 13 82.818 -12.572 2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.571 -15.498 1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.621 -14.113 1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 13 85.255 -14.498 3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 13 83.769 -13.665 4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 13 83.754 -15.786 5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 13 82.555 -15.900 4.026 1.00 0.00 H new ATOM 0 HE ARG A 13 85.223 -16.859 3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 13 82.123 -17.564 4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 13 82.213 -19.298 4.382 1.00 0.00 H new ATOM 0 HH21 ARG A 13 85.328 -19.089 2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 13 84.012 -20.154 3.314 1.00 0.00 H new ATOM 258 N ALA A 14 82.373 -12.512 -0.236 1.00 0.00 N ATOM 259 CA ALA A 14 82.006 -12.407 -1.644 1.00 0.00 C ATOM 260 C ALA A 14 82.795 -13.403 -2.482 1.00 0.00 C ATOM 261 O ALA A 14 83.923 -13.754 -2.137 1.00 0.00 O ATOM 262 CB ALA A 14 82.277 -10.995 -2.145 1.00 0.00 C ATOM 0 H ALA A 14 82.822 -11.681 0.148 1.00 0.00 H new ATOM 0 HA ALA A 14 80.944 -12.632 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.001 -10.923 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.688 -10.284 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.337 -10.766 -2.031 1.00 0.00 H new ATOM 268 N LYS A 15 82.198 -13.859 -3.578 1.00 0.00 N ATOM 269 CA LYS A 15 82.862 -14.817 -4.454 1.00 0.00 C ATOM 270 C LYS A 15 83.609 -14.092 -5.562 1.00 0.00 C ATOM 271 O LYS A 15 84.720 -14.479 -5.931 1.00 0.00 O ATOM 272 CB LYS A 15 81.826 -15.753 -5.070 1.00 0.00 C ATOM 273 CG LYS A 15 81.087 -16.513 -3.962 1.00 0.00 C ATOM 274 CD LYS A 15 81.895 -17.744 -3.545 1.00 0.00 C ATOM 275 CE LYS A 15 81.091 -18.563 -2.538 1.00 0.00 C ATOM 276 NZ LYS A 15 81.854 -19.791 -2.181 1.00 0.00 N ATOM 0 H LYS A 15 81.263 -13.583 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 15 83.575 -15.394 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.116 -15.181 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.314 -16.458 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 15 80.933 -15.861 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 15 80.101 -16.817 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 15 82.130 -18.351 -4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 15 82.844 -17.438 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 15 80.894 -17.971 -1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 15 80.123 -18.832 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 81.309 -20.351 -1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 82.020 -20.358 -3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 82.767 -19.523 -1.761 1.00 0.00 H new ATOM 290 N LYS A 16 82.996 -13.036 -6.093 1.00 0.00 N ATOM 291 CA LYS A 16 83.615 -12.261 -7.164 1.00 0.00 C ATOM 292 C LYS A 16 83.477 -10.767 -6.898 1.00 0.00 C ATOM 293 O LYS A 16 83.041 -10.354 -5.825 1.00 0.00 O ATOM 294 CB LYS A 16 82.983 -12.619 -8.516 1.00 0.00 C ATOM 295 CG LYS A 16 84.061 -12.702 -9.610 1.00 0.00 C ATOM 296 CD LYS A 16 83.516 -13.492 -10.796 1.00 0.00 C ATOM 297 CE LYS A 16 84.448 -13.302 -11.993 1.00 0.00 C ATOM 298 NZ LYS A 16 85.783 -13.892 -11.687 1.00 0.00 N ATOM 0 H LYS A 16 82.078 -12.700 -5.801 1.00 0.00 H new ATOM 0 HA LYS A 16 84.676 -12.509 -7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 16 82.461 -13.573 -8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.239 -11.869 -8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 16 84.351 -11.700 -9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 16 84.957 -13.184 -9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 16 83.441 -14.549 -10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 16 82.511 -13.152 -11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 16 84.023 -13.778 -12.877 1.00 0.00 H new ATOM 0 HE3 LYS A 16 84.552 -12.241 -12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 86.340 -13.962 -12.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 86.283 -13.286 -11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 85.658 -14.841 -11.279 1.00 0.00 H new ATOM 312 N TRP A 17 83.860 -9.966 -7.885 1.00 0.00 N ATOM 313 CA TRP A 17 83.781 -8.513 -7.760 1.00 0.00 C ATOM 314 C TRP A 17 82.506 -7.963 -8.383 1.00 0.00 C ATOM 315 O TRP A 17 82.225 -8.200 -9.557 1.00 0.00 O ATOM 316 CB TRP A 17 84.996 -7.865 -8.418 1.00 0.00 C ATOM 317 CG TRP A 17 84.787 -6.389 -8.488 1.00 0.00 C ATOM 318 CD1 TRP A 17 84.919 -5.537 -7.446 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.425 -5.576 -9.639 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.661 -4.253 -7.886 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.351 -4.226 -9.230 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.153 -5.876 -10.986 1.00 0.00 C ATOM 323 CZ2 TRP A 17 84.018 -3.210 -10.124 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.819 -4.853 -11.890 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.752 -3.522 -11.458 1.00 0.00 C ATOM 0 H TRP A 17 84.227 -10.295 -8.778 1.00 0.00 H new ATOM 0 HA TRP A 17 83.767 -8.273 -6.697 1.00 0.00 H new ATOM 0 HB2 TRP A 17 85.897 -8.090 -7.847 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.143 -8.271 -9.419 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.183 -5.815 -6.436 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.696 -3.426 -7.290 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.201 -6.899 -11.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 83.966 -2.186 -9.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 83.613 -5.094 -12.922 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.495 -2.739 -12.156 1.00 0.00 H new ATOM 336 N SER A 18 81.737 -7.223 -7.588 1.00 0.00 N ATOM 337 CA SER A 18 80.498 -6.633 -8.073 1.00 0.00 C ATOM 338 C SER A 18 80.214 -5.314 -7.360 1.00 0.00 C ATOM 339 O SER A 18 80.640 -5.108 -6.224 1.00 0.00 O ATOM 340 CB SER A 18 79.335 -7.598 -7.855 1.00 0.00 C ATOM 341 OG SER A 18 79.588 -8.804 -8.563 1.00 0.00 O ATOM 0 H SER A 18 81.950 -7.020 -6.611 1.00 0.00 H new ATOM 0 HA SER A 18 80.607 -6.437 -9.140 1.00 0.00 H new ATOM 0 HB2 SER A 18 79.214 -7.805 -6.792 1.00 0.00 H new ATOM 0 HB3 SER A 18 78.404 -7.148 -8.200 1.00 0.00 H new ATOM 0 HG SER A 18 78.844 -9.427 -8.424 1.00 0.00 H new ATOM 347 N GLU A 19 79.497 -4.426 -8.037 1.00 0.00 N ATOM 348 CA GLU A 19 79.169 -3.127 -7.458 1.00 0.00 C ATOM 349 C GLU A 19 78.757 -3.296 -5.999 1.00 0.00 C ATOM 350 O GLU A 19 78.908 -2.379 -5.192 1.00 0.00 O ATOM 351 CB GLU A 19 78.023 -2.482 -8.243 1.00 0.00 C ATOM 352 CG GLU A 19 77.777 -1.064 -7.724 1.00 0.00 C ATOM 353 CD GLU A 19 76.676 -0.394 -8.539 1.00 0.00 C ATOM 354 OE1 GLU A 19 76.151 -1.039 -9.433 1.00 0.00 O ATOM 355 OE2 GLU A 19 76.373 0.754 -8.258 1.00 0.00 O ATOM 0 H GLU A 19 79.134 -4.578 -8.978 1.00 0.00 H new ATOM 0 HA GLU A 19 80.048 -2.485 -7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 19 78.267 -2.454 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 19 77.117 -3.080 -8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 19 77.493 -1.097 -6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 19 78.695 -0.480 -7.788 1.00 0.00 H new ATOM 362 N GLU A 20 78.245 -4.477 -5.665 1.00 0.00 N ATOM 363 CA GLU A 20 77.831 -4.755 -4.296 1.00 0.00 C ATOM 364 C GLU A 20 79.049 -4.858 -3.380 1.00 0.00 C ATOM 365 O GLU A 20 79.033 -4.366 -2.254 1.00 0.00 O ATOM 366 CB GLU A 20 77.042 -6.065 -4.249 1.00 0.00 C ATOM 367 CG GLU A 20 75.698 -5.868 -4.952 1.00 0.00 C ATOM 368 CD GLU A 20 74.993 -7.209 -5.111 1.00 0.00 C ATOM 369 OE1 GLU A 20 75.641 -8.223 -4.916 1.00 0.00 O ATOM 370 OE2 GLU A 20 73.815 -7.202 -5.428 1.00 0.00 O ATOM 0 H GLU A 20 78.108 -5.249 -6.317 1.00 0.00 H new ATOM 0 HA GLU A 20 77.199 -3.937 -3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.607 -6.861 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.884 -6.371 -3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 20 75.073 -5.185 -4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.853 -5.411 -5.929 1.00 0.00 H new ATOM 377 N ILE A 21 80.106 -5.504 -3.871 1.00 0.00 N ATOM 378 CA ILE A 21 81.318 -5.667 -3.074 1.00 0.00 C ATOM 379 C ILE A 21 82.041 -4.341 -2.950 1.00 0.00 C ATOM 380 O ILE A 21 82.266 -3.846 -1.841 1.00 0.00 O ATOM 381 CB ILE A 21 82.241 -6.704 -3.732 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.398 -7.875 -4.246 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.269 -7.219 -2.718 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.448 -8.352 -3.146 1.00 0.00 C ATOM 0 H ILE A 21 80.147 -5.917 -4.803 1.00 0.00 H new ATOM 0 HA ILE A 21 81.042 -6.015 -2.079 1.00 0.00 H new ATOM 0 HB ILE A 21 82.770 -6.236 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.828 -7.568 -5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 21 82.047 -8.693 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.917 -7.953 -3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.871 -6.386 -2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.751 -7.685 -1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.851 -9.185 -3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 21 81.027 -8.677 -2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.789 -7.534 -2.855 1.00 0.00 H new ATOM 396 N GLU A 22 82.419 -3.771 -4.082 1.00 0.00 N ATOM 397 CA GLU A 22 83.139 -2.512 -4.081 1.00 0.00 C ATOM 398 C GLU A 22 82.490 -1.539 -3.118 1.00 0.00 C ATOM 399 O GLU A 22 83.168 -0.896 -2.320 1.00 0.00 O ATOM 400 CB GLU A 22 83.125 -1.918 -5.492 1.00 0.00 C ATOM 401 CG GLU A 22 83.461 -0.424 -5.432 1.00 0.00 C ATOM 402 CD GLU A 22 82.198 0.405 -5.190 1.00 0.00 C ATOM 403 OE1 GLU A 22 81.115 -0.154 -5.241 1.00 0.00 O ATOM 404 OE2 GLU A 22 82.333 1.596 -4.974 1.00 0.00 O ATOM 0 H GLU A 22 82.240 -4.159 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 22 84.167 -2.690 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.847 -2.437 -6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 22 82.145 -2.061 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 22 84.181 -0.240 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 22 83.932 -0.114 -6.365 1.00 0.00 H new ATOM 411 N ASN A 23 81.176 -1.430 -3.203 1.00 0.00 N ATOM 412 CA ASN A 23 80.447 -0.520 -2.331 1.00 0.00 C ATOM 413 C ASN A 23 80.652 -0.877 -0.863 1.00 0.00 C ATOM 414 O ASN A 23 81.011 -0.027 -0.059 1.00 0.00 O ATOM 415 CB ASN A 23 78.959 -0.618 -2.637 1.00 0.00 C ATOM 416 CG ASN A 23 78.172 0.281 -1.705 1.00 0.00 C ATOM 417 OD1 ASN A 23 77.693 1.336 -2.109 1.00 0.00 O ATOM 418 ND2 ASN A 23 78.001 -0.100 -0.472 1.00 0.00 N ATOM 0 H ASN A 23 80.595 -1.953 -3.858 1.00 0.00 H new ATOM 0 HA ASN A 23 80.821 0.488 -2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.774 -0.332 -3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.625 -1.650 -2.527 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.463 0.481 0.171 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.405 -0.979 -0.149 1.00 0.00 H new ATOM 425 N LEU A 24 80.432 -2.140 -0.516 1.00 0.00 N ATOM 426 CA LEU A 24 80.583 -2.558 0.868 1.00 0.00 C ATOM 427 C LEU A 24 81.973 -2.242 1.367 1.00 0.00 C ATOM 428 O LEU A 24 82.131 -1.797 2.492 1.00 0.00 O ATOM 429 CB LEU A 24 80.316 -4.056 0.983 1.00 0.00 C ATOM 430 CG LEU A 24 78.817 -4.322 0.808 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.586 -5.820 0.640 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.040 -3.826 2.041 1.00 0.00 C ATOM 0 H LEU A 24 80.154 -2.879 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 24 79.864 -2.014 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.883 -4.597 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.651 -4.423 1.953 1.00 0.00 H new ATOM 0 HG LEU A 24 78.464 -3.789 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.520 -6.012 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.124 -6.175 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 24 78.948 -6.345 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 24 76.976 -4.021 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.393 -4.350 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.199 -2.755 2.165 1.00 0.00 H new ATOM 444 N TYR A 25 82.973 -2.449 0.532 1.00 0.00 N ATOM 445 CA TYR A 25 84.340 -2.150 0.924 1.00 0.00 C ATOM 446 C TYR A 25 84.492 -0.669 1.248 1.00 0.00 C ATOM 447 O TYR A 25 85.043 -0.307 2.283 1.00 0.00 O ATOM 448 CB TYR A 25 85.291 -2.525 -0.208 1.00 0.00 C ATOM 449 CG TYR A 25 86.697 -2.097 0.145 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.406 -2.777 1.143 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.292 -1.026 -0.532 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.710 -2.382 1.465 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.595 -0.632 -0.209 1.00 0.00 C ATOM 454 CZ TYR A 25 89.305 -1.310 0.790 1.00 0.00 C ATOM 455 OH TYR A 25 90.590 -0.922 1.108 1.00 0.00 O ATOM 0 H TYR A 25 82.869 -2.819 -0.413 1.00 0.00 H new ATOM 0 HA TYR A 25 84.582 -2.730 1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.260 -3.601 -0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 25 84.976 -2.045 -1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 25 86.948 -3.605 1.663 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.745 -0.504 -1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.257 -2.905 2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 25 89.054 0.195 -0.730 1.00 0.00 H new ATOM 0 HH TYR A 25 90.851 -0.163 0.545 1.00 0.00 H new ATOM 465 N ARG A 26 84.007 0.186 0.352 1.00 0.00 N ATOM 466 CA ARG A 26 84.116 1.624 0.560 1.00 0.00 C ATOM 467 C ARG A 26 83.384 2.049 1.831 1.00 0.00 C ATOM 468 O ARG A 26 83.928 2.783 2.654 1.00 0.00 O ATOM 469 CB ARG A 26 83.513 2.369 -0.635 1.00 0.00 C ATOM 470 CG ARG A 26 84.383 2.154 -1.875 1.00 0.00 C ATOM 471 CD ARG A 26 83.899 3.067 -3.000 1.00 0.00 C ATOM 472 NE ARG A 26 84.624 2.772 -4.234 1.00 0.00 N ATOM 473 CZ ARG A 26 84.552 3.580 -5.285 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.833 4.667 -5.224 1.00 0.00 N ATOM 475 NH2 ARG A 26 85.202 3.287 -6.379 1.00 0.00 N ATOM 0 H ARG A 26 83.541 -0.088 -0.513 1.00 0.00 H new ATOM 0 HA ARG A 26 85.173 1.872 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.501 2.012 -0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.439 3.433 -0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.426 2.367 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.334 1.112 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.829 2.929 -3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 26 84.049 4.110 -2.722 1.00 0.00 H new ATOM 0 HE ARG A 26 85.196 1.929 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.326 4.896 -4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.778 5.288 -6.031 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.765 2.438 -6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 26 85.147 3.908 -7.187 1.00 0.00 H new ATOM 489 N PHE A 27 82.151 1.572 1.994 1.00 0.00 N ATOM 490 CA PHE A 27 81.372 1.911 3.181 1.00 0.00 C ATOM 491 C PHE A 27 82.023 1.324 4.434 1.00 0.00 C ATOM 492 O PHE A 27 82.182 2.009 5.444 1.00 0.00 O ATOM 493 CB PHE A 27 79.942 1.392 3.033 1.00 0.00 C ATOM 494 CG PHE A 27 79.128 2.392 2.235 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.062 2.304 0.840 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.443 3.413 2.892 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.310 3.228 0.113 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.691 4.337 2.155 1.00 0.00 C ATOM 499 CZ PHE A 27 77.627 4.240 0.768 1.00 0.00 C ATOM 0 H PHE A 27 81.677 0.960 1.330 1.00 0.00 H new ATOM 0 HA PHE A 27 81.345 2.996 3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 27 79.944 0.424 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.494 1.241 4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 27 79.595 1.519 0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.492 3.492 3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.260 3.154 -0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 27 77.159 5.127 2.665 1.00 0.00 H new ATOM 0 HZ PHE A 27 77.045 4.953 0.203 1.00 0.00 H new ATOM 509 N GLN A 28 82.393 0.049 4.356 1.00 0.00 N ATOM 510 CA GLN A 28 83.019 -0.632 5.483 1.00 0.00 C ATOM 511 C GLN A 28 84.251 0.134 5.927 1.00 0.00 C ATOM 512 O GLN A 28 84.486 0.299 7.123 1.00 0.00 O ATOM 513 CB GLN A 28 83.415 -2.058 5.085 1.00 0.00 C ATOM 514 CG GLN A 28 82.187 -2.973 5.127 1.00 0.00 C ATOM 515 CD GLN A 28 82.529 -4.329 4.522 1.00 0.00 C ATOM 516 OE1 GLN A 28 83.694 -4.725 4.501 1.00 0.00 O ATOM 517 NE2 GLN A 28 81.576 -5.070 4.032 1.00 0.00 N ATOM 0 H GLN A 28 82.270 -0.531 3.526 1.00 0.00 H new ATOM 0 HA GLN A 28 82.306 -0.678 6.306 1.00 0.00 H new ATOM 0 HB2 GLN A 28 83.845 -2.059 4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.182 -2.434 5.762 1.00 0.00 H new ATOM 0 HG2 GLN A 28 81.851 -3.099 6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.364 -2.517 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 28 80.611 -4.739 4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 28 81.794 -5.981 3.629 1.00 0.00 H new ATOM 526 N GLN A 29 85.013 0.634 4.965 1.00 0.00 N ATOM 527 CA GLN A 29 86.203 1.412 5.283 1.00 0.00 C ATOM 528 C GLN A 29 85.818 2.652 6.080 1.00 0.00 C ATOM 529 O GLN A 29 86.506 3.033 7.026 1.00 0.00 O ATOM 530 CB GLN A 29 86.917 1.820 3.993 1.00 0.00 C ATOM 531 CG GLN A 29 87.624 0.601 3.393 1.00 0.00 C ATOM 532 CD GLN A 29 88.941 0.359 4.117 1.00 0.00 C ATOM 533 OE1 GLN A 29 89.242 1.036 5.100 1.00 0.00 O ATOM 534 NE2 GLN A 29 89.750 -0.568 3.684 1.00 0.00 N ATOM 0 H GLN A 29 84.832 0.517 3.968 1.00 0.00 H new ATOM 0 HA GLN A 29 86.876 0.801 5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.199 2.225 3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.641 2.609 4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 29 86.986 -0.279 3.477 1.00 0.00 H new ATOM 0 HG3 GLN A 29 87.807 0.762 2.331 1.00 0.00 H new ATOM 0 HE21 GLN A 29 89.496 -1.126 2.869 1.00 0.00 H new ATOM 0 HE22 GLN A 29 90.636 -0.735 4.160 1.00 0.00 H new ATOM 543 N ALA A 30 84.709 3.273 5.695 1.00 0.00 N ATOM 544 CA ALA A 30 84.236 4.465 6.388 1.00 0.00 C ATOM 545 C ALA A 30 83.773 4.110 7.800 1.00 0.00 C ATOM 546 O ALA A 30 83.631 4.983 8.657 1.00 0.00 O ATOM 547 CB ALA A 30 83.082 5.109 5.616 1.00 0.00 C ATOM 0 H ALA A 30 84.125 2.974 4.914 1.00 0.00 H new ATOM 0 HA ALA A 30 85.061 5.174 6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 30 82.740 5.998 6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.423 5.390 4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.260 4.399 5.531 1.00 0.00 H new ATOM 553 N GLY A 31 83.534 2.821 8.029 1.00 0.00 N ATOM 554 CA GLY A 31 83.083 2.352 9.335 1.00 0.00 C ATOM 555 C GLY A 31 81.593 2.020 9.316 1.00 0.00 C ATOM 556 O GLY A 31 81.002 1.727 10.356 1.00 0.00 O ATOM 0 H GLY A 31 83.645 2.086 7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.652 1.468 9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.279 3.117 10.087 1.00 0.00 H new ATOM 560 N TYR A 32 80.989 2.069 8.130 1.00 0.00 N ATOM 561 CA TYR A 32 79.574 1.775 7.987 1.00 0.00 C ATOM 562 C TYR A 32 79.359 0.403 7.369 1.00 0.00 C ATOM 563 O TYR A 32 80.135 -0.037 6.526 1.00 0.00 O ATOM 564 CB TYR A 32 78.923 2.830 7.095 1.00 0.00 C ATOM 565 CG TYR A 32 79.128 4.211 7.687 1.00 0.00 C ATOM 566 CD1 TYR A 32 78.795 4.477 9.024 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.666 5.228 6.892 1.00 0.00 C ATOM 568 CE1 TYR A 32 79.004 5.746 9.558 1.00 0.00 C ATOM 569 CE2 TYR A 32 79.874 6.502 7.433 1.00 0.00 C ATOM 570 CZ TYR A 32 79.545 6.760 8.766 1.00 0.00 C ATOM 571 OH TYR A 32 79.749 8.016 9.300 1.00 0.00 O ATOM 0 H TYR A 32 81.461 2.310 7.258 1.00 0.00 H new ATOM 0 HA TYR A 32 79.122 1.785 8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.353 2.787 6.094 1.00 0.00 H new ATOM 0 HB3 TYR A 32 77.858 2.624 6.993 1.00 0.00 H new ATOM 0 HD1 TYR A 32 78.376 3.696 9.640 1.00 0.00 H new ATOM 0 HD2 TYR A 32 79.921 5.030 5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 32 78.747 5.946 10.588 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.290 7.287 6.819 1.00 0.00 H new ATOM 0 HH TYR A 32 80.133 8.604 8.616 1.00 0.00 H new ATOM 581 N ARG A 33 78.294 -0.260 7.789 1.00 0.00 N ATOM 582 CA ARG A 33 77.978 -1.583 7.261 1.00 0.00 C ATOM 583 C ARG A 33 77.366 -1.469 5.870 1.00 0.00 C ATOM 584 O ARG A 33 77.597 -2.316 5.007 1.00 0.00 O ATOM 585 CB ARG A 33 77.018 -2.305 8.204 1.00 0.00 C ATOM 586 CG ARG A 33 75.785 -1.431 8.450 1.00 0.00 C ATOM 587 CD ARG A 33 75.581 -1.251 9.953 1.00 0.00 C ATOM 588 NE ARG A 33 74.297 -0.614 10.214 1.00 0.00 N ATOM 589 CZ ARG A 33 73.181 -1.329 10.285 1.00 0.00 C ATOM 590 NH1 ARG A 33 73.223 -2.624 10.118 1.00 0.00 N ATOM 591 NH2 ARG A 33 72.041 -0.741 10.522 1.00 0.00 N ATOM 0 H ARG A 33 77.637 0.089 8.487 1.00 0.00 H new ATOM 0 HA ARG A 33 78.900 -2.159 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.719 -3.260 7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.516 -2.523 9.149 1.00 0.00 H new ATOM 0 HG2 ARG A 33 75.912 -0.460 7.971 1.00 0.00 H new ATOM 0 HG3 ARG A 33 74.904 -1.893 8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 33 75.623 -2.219 10.452 1.00 0.00 H new ATOM 0 HD3 ARG A 33 76.387 -0.645 10.367 1.00 0.00 H new ATOM 0 HE ARG A 33 74.255 0.397 10.344 1.00 0.00 H new ATOM 0 HH11 ARG A 33 74.113 -3.086 9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 33 72.365 -3.173 10.173 1.00 0.00 H new ATOM 0 HH21 ARG A 33 72.006 0.270 10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 33 71.184 -1.292 10.576 1.00 0.00 H new ATOM 605 N ASP A 34 76.582 -0.416 5.660 1.00 0.00 N ATOM 606 CA ASP A 34 75.932 -0.188 4.375 1.00 0.00 C ATOM 607 C ASP A 34 75.416 1.240 4.284 1.00 0.00 C ATOM 608 O ASP A 34 75.461 1.990 5.261 1.00 0.00 O ATOM 609 CB ASP A 34 74.784 -1.175 4.174 1.00 0.00 C ATOM 610 CG ASP A 34 74.218 -1.042 2.766 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.958 -0.624 1.889 1.00 0.00 O ATOM 612 OD2 ASP A 34 73.053 -1.352 2.585 1.00 0.00 O ATOM 0 H ASP A 34 76.382 0.294 6.365 1.00 0.00 H new ATOM 0 HA ASP A 34 76.669 -0.344 3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 34 75.137 -2.193 4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.001 -0.988 4.908 1.00 0.00 H new ATOM 617 N GLU A 35 74.948 1.616 3.099 1.00 0.00 N ATOM 618 CA GLU A 35 74.448 2.964 2.883 1.00 0.00 C ATOM 619 C GLU A 35 73.451 3.346 3.967 1.00 0.00 C ATOM 620 O GLU A 35 73.329 4.513 4.322 1.00 0.00 O ATOM 621 CB GLU A 35 73.760 3.052 1.514 1.00 0.00 C ATOM 622 CG GLU A 35 72.491 2.190 1.515 1.00 0.00 C ATOM 623 CD GLU A 35 71.907 2.116 0.109 1.00 0.00 C ATOM 624 OE1 GLU A 35 72.439 2.779 -0.766 1.00 0.00 O ATOM 625 OE2 GLU A 35 70.939 1.396 -0.071 1.00 0.00 O ATOM 0 H GLU A 35 74.905 1.010 2.280 1.00 0.00 H new ATOM 0 HA GLU A 35 75.293 3.652 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 35 73.507 4.088 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.440 2.714 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 35 72.723 1.187 1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 35 71.756 2.612 2.201 1.00 0.00 H new ATOM 632 N ILE A 36 72.721 2.360 4.482 1.00 0.00 N ATOM 633 CA ILE A 36 71.719 2.636 5.506 1.00 0.00 C ATOM 634 C ILE A 36 72.347 3.330 6.714 1.00 0.00 C ATOM 635 O ILE A 36 71.853 4.365 7.177 1.00 0.00 O ATOM 636 CB ILE A 36 71.097 1.312 5.962 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.247 0.721 4.834 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.218 1.553 7.191 1.00 0.00 C ATOM 639 CD1 ILE A 36 69.888 -0.731 5.165 1.00 0.00 C ATOM 0 H ILE A 36 72.802 1.380 4.213 1.00 0.00 H new ATOM 0 HA ILE A 36 70.960 3.293 5.082 1.00 0.00 H new ATOM 0 HB ILE A 36 71.893 0.613 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.339 1.310 4.703 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.794 0.765 3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 36 69.777 0.610 7.513 1.00 0.00 H new ATOM 0 HG22 ILE A 36 70.825 1.964 7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.425 2.257 6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.283 -1.149 4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 36 70.801 -1.316 5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.324 -0.763 6.097 1.00 0.00 H new ATOM 651 N GLU A 37 73.441 2.774 7.214 1.00 0.00 N ATOM 652 CA GLU A 37 74.117 3.361 8.364 1.00 0.00 C ATOM 653 C GLU A 37 74.676 4.737 8.009 1.00 0.00 C ATOM 654 O GLU A 37 74.614 5.671 8.807 1.00 0.00 O ATOM 655 CB GLU A 37 75.249 2.442 8.830 1.00 0.00 C ATOM 656 CG GLU A 37 75.783 2.924 10.178 1.00 0.00 C ATOM 657 CD GLU A 37 74.719 2.744 11.252 1.00 0.00 C ATOM 658 OE1 GLU A 37 74.688 1.684 11.854 1.00 0.00 O ATOM 659 OE2 GLU A 37 73.949 3.667 11.456 1.00 0.00 O ATOM 0 H GLU A 37 73.876 1.927 6.848 1.00 0.00 H new ATOM 0 HA GLU A 37 73.394 3.476 9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 37 74.886 1.418 8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.051 2.434 8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.680 2.364 10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.070 3.973 10.111 1.00 0.00 H new ATOM 666 N TYR A 38 75.217 4.852 6.802 1.00 0.00 N ATOM 667 CA TYR A 38 75.777 6.115 6.340 1.00 0.00 C ATOM 668 C TYR A 38 74.722 7.208 6.326 1.00 0.00 C ATOM 669 O TYR A 38 74.976 8.328 6.773 1.00 0.00 O ATOM 670 CB TYR A 38 76.348 5.956 4.943 1.00 0.00 C ATOM 671 CG TYR A 38 76.681 7.317 4.375 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.638 8.126 5.001 1.00 0.00 C ATOM 673 CD2 TYR A 38 76.035 7.772 3.217 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.942 9.386 4.471 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.341 9.031 2.688 1.00 0.00 C ATOM 676 CZ TYR A 38 77.295 9.840 3.316 1.00 0.00 C ATOM 677 OH TYR A 38 77.597 11.082 2.796 1.00 0.00 O ATOM 0 H TYR A 38 75.279 4.089 6.128 1.00 0.00 H new ATOM 0 HA TYR A 38 76.570 6.400 7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.243 5.334 4.973 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.629 5.448 4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.141 7.778 5.891 1.00 0.00 H new ATOM 0 HD2 TYR A 38 75.299 7.149 2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 38 78.679 10.010 4.955 1.00 0.00 H new ATOM 0 HE2 TYR A 38 75.841 9.378 1.796 1.00 0.00 H new ATOM 0 HH TYR A 38 77.058 11.240 1.993 1.00 0.00 H new ATOM 687 N LYS A 39 73.544 6.889 5.794 1.00 0.00 N ATOM 688 CA LYS A 39 72.471 7.862 5.713 1.00 0.00 C ATOM 689 C LYS A 39 72.102 8.383 7.092 1.00 0.00 C ATOM 690 O LYS A 39 71.839 9.567 7.258 1.00 0.00 O ATOM 691 CB LYS A 39 71.238 7.223 5.074 1.00 0.00 C ATOM 692 CG LYS A 39 71.474 7.022 3.576 1.00 0.00 C ATOM 693 CD LYS A 39 70.252 6.345 2.952 1.00 0.00 C ATOM 694 CE LYS A 39 70.394 6.339 1.428 1.00 0.00 C ATOM 695 NZ LYS A 39 71.582 5.526 1.044 1.00 0.00 N ATOM 0 H LYS A 39 73.315 5.970 5.417 1.00 0.00 H new ATOM 0 HA LYS A 39 72.817 8.696 5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.026 6.265 5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.366 7.857 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.656 7.982 3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.362 6.411 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.159 5.324 3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.343 6.873 3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.495 5.928 0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.502 7.359 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 71.557 5.336 0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 72.450 6.048 1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 71.569 4.625 1.564 1.00 0.00 H new ATOM 709 N GLN A 40 72.086 7.496 8.076 1.00 0.00 N ATOM 710 CA GLN A 40 71.748 7.901 9.435 1.00 0.00 C ATOM 711 C GLN A 40 72.745 8.941 9.949 1.00 0.00 C ATOM 712 O GLN A 40 72.361 9.928 10.568 1.00 0.00 O ATOM 713 CB GLN A 40 71.769 6.681 10.356 1.00 0.00 C ATOM 714 CG GLN A 40 71.338 7.090 11.767 1.00 0.00 C ATOM 715 CD GLN A 40 71.271 5.861 12.668 1.00 0.00 C ATOM 716 OE1 GLN A 40 71.387 4.732 12.190 1.00 0.00 O ATOM 717 NE2 GLN A 40 71.091 6.014 13.951 1.00 0.00 N ATOM 0 H GLN A 40 72.300 6.505 7.964 1.00 0.00 H new ATOM 0 HA GLN A 40 70.751 8.341 9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 40 71.101 5.911 9.970 1.00 0.00 H new ATOM 0 HB3 GLN A 40 72.770 6.250 10.382 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.043 7.813 12.176 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.364 7.579 11.732 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.995 6.950 14.344 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.046 5.197 14.561 1.00 0.00 H new ATOM 726 N VAL A 41 74.024 8.713 9.690 1.00 0.00 N ATOM 727 CA VAL A 41 75.058 9.635 10.147 1.00 0.00 C ATOM 728 C VAL A 41 74.879 11.014 9.523 1.00 0.00 C ATOM 729 O VAL A 41 74.997 12.032 10.206 1.00 0.00 O ATOM 730 CB VAL A 41 76.437 9.086 9.781 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.507 10.135 10.091 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.721 7.814 10.585 1.00 0.00 C ATOM 0 H VAL A 41 74.371 7.906 9.171 1.00 0.00 H new ATOM 0 HA VAL A 41 74.973 9.732 11.229 1.00 0.00 H new ATOM 0 HB VAL A 41 76.456 8.850 8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.489 9.741 9.829 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.311 11.037 9.511 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.484 10.375 11.154 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.705 7.428 10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.697 8.044 11.650 1.00 0.00 H new ATOM 0 HG23 VAL A 41 75.964 7.064 10.358 1.00 0.00 H new ATOM 742 N LYS A 42 74.596 11.042 8.230 1.00 0.00 N ATOM 743 CA LYS A 42 74.406 12.304 7.530 1.00 0.00 C ATOM 744 C LYS A 42 72.931 12.667 7.464 1.00 0.00 C ATOM 745 O LYS A 42 72.563 13.709 6.922 1.00 0.00 O ATOM 746 CB LYS A 42 74.980 12.200 6.117 1.00 0.00 C ATOM 747 CG LYS A 42 76.473 11.867 6.176 1.00 0.00 C ATOM 748 CD LYS A 42 77.259 13.057 6.740 1.00 0.00 C ATOM 749 CE LYS A 42 78.735 12.897 6.399 1.00 0.00 C ATOM 750 NZ LYS A 42 78.904 12.900 4.919 1.00 0.00 N ATOM 0 H LYS A 42 74.493 10.212 7.647 1.00 0.00 H new ATOM 0 HA LYS A 42 74.929 13.088 8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.450 11.429 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.830 13.140 5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.633 10.988 6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 42 76.838 11.621 5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.877 13.989 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.128 13.114 7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.312 13.708 6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.118 11.966 6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.861 13.229 4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.767 11.937 4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.202 13.537 4.491 1.00 0.00 H new ATOM 764 N GLN A 43 72.086 11.805 8.020 1.00 0.00 N ATOM 765 CA GLN A 43 70.652 12.058 8.014 1.00 0.00 C ATOM 766 C GLN A 43 70.174 12.452 6.621 1.00 0.00 C ATOM 767 O GLN A 43 69.509 13.476 6.452 1.00 0.00 O ATOM 768 CB GLN A 43 70.311 13.166 9.007 1.00 0.00 C ATOM 769 CG GLN A 43 70.724 12.736 10.417 1.00 0.00 C ATOM 770 CD GLN A 43 69.885 11.541 10.864 1.00 0.00 C ATOM 771 OE1 GLN A 43 68.745 11.387 10.431 1.00 0.00 O ATOM 772 NE2 GLN A 43 70.386 10.684 11.711 1.00 0.00 N ATOM 0 H GLN A 43 72.366 10.936 8.475 1.00 0.00 H new ATOM 0 HA GLN A 43 70.144 11.139 8.308 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.825 14.087 8.731 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.242 13.377 8.979 1.00 0.00 H new ATOM 0 HG2 GLN A 43 71.782 12.474 10.431 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.591 13.565 11.113 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.332 10.814 12.069 1.00 0.00 H new ATOM 0 HE22 GLN A 43 69.831 9.884 12.015 1.00 0.00 H new ATOM 781 N VAL A 44 70.514 11.637 5.627 1.00 0.00 N ATOM 782 CA VAL A 44 70.115 11.905 4.247 1.00 0.00 C ATOM 783 C VAL A 44 69.421 10.688 3.645 1.00 0.00 C ATOM 784 O VAL A 44 69.171 9.700 4.335 1.00 0.00 O ATOM 785 CB VAL A 44 71.335 12.270 3.400 1.00 0.00 C ATOM 786 CG1 VAL A 44 71.959 13.562 3.931 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.360 11.144 3.480 1.00 0.00 C ATOM 0 H VAL A 44 71.064 10.787 5.750 1.00 0.00 H new ATOM 0 HA VAL A 44 69.419 12.744 4.252 1.00 0.00 H new ATOM 0 HB VAL A 44 71.028 12.414 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 44 72.828 13.821 3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.227 14.368 3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.267 13.419 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.231 11.401 2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.665 11.003 4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 44 71.918 10.222 3.103 1.00 0.00 H new ATOM 797 N ALA A 45 69.100 10.776 2.359 1.00 0.00 N ATOM 798 CA ALA A 45 68.421 9.683 1.676 1.00 0.00 C ATOM 799 C ALA A 45 69.022 9.446 0.294 1.00 0.00 C ATOM 800 O ALA A 45 68.348 8.957 -0.612 1.00 0.00 O ATOM 801 CB ALA A 45 66.937 10.003 1.541 1.00 0.00 C ATOM 0 H ALA A 45 69.298 11.587 1.773 1.00 0.00 H new ATOM 0 HA ALA A 45 68.549 8.777 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.433 9.183 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.502 10.135 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 45 66.813 10.920 0.965 1.00 0.00 H new ATOM 807 N MET A 46 70.292 9.801 0.139 1.00 0.00 N ATOM 808 CA MET A 46 70.975 9.624 -1.136 1.00 0.00 C ATOM 809 C MET A 46 72.488 9.690 -0.953 1.00 0.00 C ATOM 810 O MET A 46 72.977 10.349 -0.036 1.00 0.00 O ATOM 811 CB MET A 46 70.525 10.714 -2.113 1.00 0.00 C ATOM 812 CG MET A 46 70.814 12.097 -1.511 1.00 0.00 C ATOM 813 SD MET A 46 70.427 13.385 -2.723 1.00 0.00 S ATOM 814 CE MET A 46 72.024 13.388 -3.578 1.00 0.00 C ATOM 0 H MET A 46 70.866 10.211 0.876 1.00 0.00 H new ATOM 0 HA MET A 46 70.718 8.643 -1.536 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.048 10.603 -3.063 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.460 10.612 -2.322 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.220 12.243 -0.609 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.861 12.164 -1.217 1.00 0.00 H new ATOM 0 HE1 MET A 46 72.012 14.138 -4.369 1.00 0.00 H new ATOM 0 HE2 MET A 46 72.817 13.623 -2.868 1.00 0.00 H new ATOM 0 HE3 MET A 46 72.206 12.405 -4.013 1.00 0.00 H new ATOM 824 N VAL A 47 73.220 9.012 -1.834 1.00 0.00 N ATOM 825 CA VAL A 47 74.678 9.010 -1.762 1.00 0.00 C ATOM 826 C VAL A 47 75.267 9.463 -3.094 1.00 0.00 C ATOM 827 O VAL A 47 74.826 9.025 -4.156 1.00 0.00 O ATOM 828 CB VAL A 47 75.182 7.610 -1.424 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.676 7.670 -1.102 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.410 7.080 -0.218 1.00 0.00 C ATOM 0 H VAL A 47 72.831 8.462 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 47 74.993 9.701 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 47 75.028 6.945 -2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 47 77.037 6.670 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 47 77.219 8.053 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.838 8.330 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.764 6.080 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.567 7.742 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.347 7.040 -0.456 1.00 0.00 H new ATOM 840 N ASP A 48 76.255 10.354 -3.031 1.00 0.00 N ATOM 841 CA ASP A 48 76.883 10.867 -4.244 1.00 0.00 C ATOM 842 C ASP A 48 77.508 9.733 -5.047 1.00 0.00 C ATOM 843 O ASP A 48 78.268 8.924 -4.513 1.00 0.00 O ATOM 844 CB ASP A 48 77.966 11.880 -3.873 1.00 0.00 C ATOM 845 CG ASP A 48 77.326 13.156 -3.340 1.00 0.00 C ATOM 846 OD1 ASP A 48 76.128 13.306 -3.508 1.00 0.00 O ATOM 847 OD2 ASP A 48 78.044 13.964 -2.774 1.00 0.00 O ATOM 0 H ASP A 48 76.634 10.731 -2.162 1.00 0.00 H new ATOM 0 HA ASP A 48 76.118 11.349 -4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.631 11.455 -3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.577 12.107 -4.746 1.00 0.00 H new ATOM 852 N ARG A 49 77.183 9.682 -6.334 1.00 0.00 N ATOM 853 CA ARG A 49 77.714 8.645 -7.210 1.00 0.00 C ATOM 854 C ARG A 49 77.965 9.188 -8.606 1.00 0.00 C ATOM 855 O ARG A 49 77.369 10.190 -9.007 1.00 0.00 O ATOM 856 CB ARG A 49 76.750 7.459 -7.283 1.00 0.00 C ATOM 857 CG ARG A 49 76.762 6.702 -5.953 1.00 0.00 C ATOM 858 CD ARG A 49 75.703 5.604 -5.979 1.00 0.00 C ATOM 859 NE ARG A 49 75.764 4.822 -4.750 1.00 0.00 N ATOM 860 CZ ARG A 49 74.852 3.896 -4.481 1.00 0.00 C ATOM 861 NH1 ARG A 49 73.879 3.677 -5.322 1.00 0.00 N ATOM 862 NH2 ARG A 49 74.928 3.205 -3.377 1.00 0.00 N ATOM 0 H ARG A 49 76.557 10.344 -6.792 1.00 0.00 H new ATOM 0 HA ARG A 49 78.663 8.309 -6.791 1.00 0.00 H new ATOM 0 HB2 ARG A 49 75.742 7.810 -7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.040 6.792 -8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.746 6.268 -5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 49 76.567 7.390 -5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 49 74.713 6.045 -6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 49 75.861 4.955 -6.841 1.00 0.00 H new ATOM 0 HE ARG A 49 76.520 4.989 -4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 49 73.820 4.217 -6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 49 73.178 2.966 -5.116 1.00 0.00 H new ATOM 0 HH21 ARG A 49 75.689 3.376 -2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 49 74.227 2.494 -3.171 1.00 0.00 H new ATOM 876 N TRP A 50 78.851 8.526 -9.347 1.00 0.00 N ATOM 877 CA TRP A 50 79.157 8.980 -10.698 1.00 0.00 C ATOM 878 C TRP A 50 78.325 8.222 -11.741 1.00 0.00 C ATOM 879 O TRP A 50 78.117 7.026 -11.620 1.00 0.00 O ATOM 880 CB TRP A 50 80.635 8.777 -11.004 1.00 0.00 C ATOM 881 CG TRP A 50 81.444 9.624 -10.080 1.00 0.00 C ATOM 882 CD1 TRP A 50 81.703 9.330 -8.786 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.110 10.888 -10.356 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.474 10.343 -8.246 1.00 0.00 N ATOM 885 CE2 TRP A 50 82.756 11.323 -9.178 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.214 11.694 -11.505 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.480 12.515 -9.136 1.00 0.00 C ATOM 888 CZ3 TRP A 50 82.942 12.894 -11.468 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.574 13.303 -10.286 1.00 0.00 C ATOM 0 H TRP A 50 79.358 7.694 -9.044 1.00 0.00 H new ATOM 0 HA TRP A 50 78.910 10.040 -10.750 1.00 0.00 H new ATOM 0 HB2 TRP A 50 80.903 7.727 -10.884 1.00 0.00 H new ATOM 0 HB3 TRP A 50 80.845 9.044 -12.040 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.364 8.449 -8.261 1.00 0.00 H new ATOM 0 HE1 TRP A 50 82.795 10.364 -7.278 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.731 11.388 -12.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 83.964 12.826 -8.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 83.015 13.505 -12.355 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.133 14.227 -10.264 1.00 0.00 H new ATOM 900 N PRO A 51 77.866 8.880 -12.767 1.00 0.00 N ATOM 901 CA PRO A 51 77.044 8.229 -13.833 1.00 0.00 C ATOM 902 C PRO A 51 77.833 7.192 -14.630 1.00 0.00 C ATOM 903 O PRO A 51 77.260 6.249 -15.179 1.00 0.00 O ATOM 904 CB PRO A 51 76.629 9.399 -14.727 1.00 0.00 C ATOM 905 CG PRO A 51 77.656 10.452 -14.484 1.00 0.00 C ATOM 906 CD PRO A 51 78.081 10.304 -13.042 1.00 0.00 C ATOM 0 HA PRO A 51 76.202 7.677 -13.416 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.605 9.105 -15.776 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.631 9.755 -14.473 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.506 10.328 -15.155 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.246 11.445 -14.669 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.124 10.587 -12.900 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.486 10.935 -12.381 1.00 0.00 H new ATOM 914 N GLU A 52 79.143 7.390 -14.710 1.00 0.00 N ATOM 915 CA GLU A 52 79.990 6.480 -15.476 1.00 0.00 C ATOM 916 C GLU A 52 79.775 5.039 -15.029 1.00 0.00 C ATOM 917 O GLU A 52 79.495 4.166 -15.851 1.00 0.00 O ATOM 918 CB GLU A 52 81.458 6.849 -15.260 1.00 0.00 C ATOM 919 CG GLU A 52 81.708 8.278 -15.738 1.00 0.00 C ATOM 920 CD GLU A 52 81.554 8.357 -17.250 1.00 0.00 C ATOM 921 OE1 GLU A 52 81.611 7.319 -17.886 1.00 0.00 O ATOM 922 OE2 GLU A 52 81.380 9.457 -17.750 1.00 0.00 O ATOM 0 H GLU A 52 79.638 8.161 -14.261 1.00 0.00 H new ATOM 0 HA GLU A 52 79.727 6.569 -16.530 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.714 6.759 -14.204 1.00 0.00 H new ATOM 0 HB3 GLU A 52 82.100 6.156 -15.804 1.00 0.00 H new ATOM 0 HG2 GLU A 52 81.006 8.959 -15.257 1.00 0.00 H new ATOM 0 HG3 GLU A 52 82.710 8.597 -15.449 1.00 0.00 H new ATOM 929 N THR A 53 79.897 4.797 -13.730 1.00 0.00 N ATOM 930 CA THR A 53 79.706 3.455 -13.194 1.00 0.00 C ATOM 931 C THR A 53 78.690 3.461 -12.056 1.00 0.00 C ATOM 932 O THR A 53 77.962 2.489 -11.861 1.00 0.00 O ATOM 933 CB THR A 53 81.035 2.929 -12.674 1.00 0.00 C ATOM 934 OG1 THR A 53 81.591 3.899 -11.805 1.00 0.00 O ATOM 935 CG2 THR A 53 81.996 2.671 -13.837 1.00 0.00 C ATOM 0 H THR A 53 80.125 5.506 -13.033 1.00 0.00 H new ATOM 0 HA THR A 53 79.331 2.814 -13.992 1.00 0.00 H new ATOM 0 HB THR A 53 80.875 1.991 -12.143 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.876 3.467 -10.973 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.943 2.295 -13.450 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.561 1.933 -14.512 1.00 0.00 H new ATOM 0 HG23 THR A 53 82.169 3.601 -14.379 1.00 0.00 H new ATOM 943 N GLY A 54 78.642 4.560 -11.306 1.00 0.00 N ATOM 944 CA GLY A 54 77.704 4.657 -10.186 1.00 0.00 C ATOM 945 C GLY A 54 78.395 4.376 -8.862 1.00 0.00 C ATOM 946 O GLY A 54 77.744 4.023 -7.880 1.00 0.00 O ATOM 0 H GLY A 54 79.229 5.382 -11.448 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.262 5.653 -10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.888 3.949 -10.330 1.00 0.00 H new ATOM 950 N TYR A 55 79.714 4.527 -8.837 1.00 0.00 N ATOM 951 CA TYR A 55 80.472 4.283 -7.619 1.00 0.00 C ATOM 952 C TYR A 55 80.404 5.489 -6.698 1.00 0.00 C ATOM 953 O TYR A 55 80.177 6.611 -7.152 1.00 0.00 O ATOM 954 CB TYR A 55 81.934 3.967 -7.949 1.00 0.00 C ATOM 955 CG TYR A 55 82.031 2.663 -8.713 1.00 0.00 C ATOM 956 CD1 TYR A 55 81.385 1.507 -8.250 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.763 2.614 -9.900 1.00 0.00 C ATOM 958 CE1 TYR A 55 81.474 0.320 -8.973 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.850 1.423 -10.626 1.00 0.00 C ATOM 960 CZ TYR A 55 82.201 0.276 -10.162 1.00 0.00 C ATOM 961 OH TYR A 55 82.279 -0.903 -10.871 1.00 0.00 O ATOM 0 H TYR A 55 80.275 4.815 -9.639 1.00 0.00 H new ATOM 0 HA TYR A 55 80.030 3.425 -7.112 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.363 4.776 -8.541 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.515 3.902 -7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.818 1.538 -7.331 1.00 0.00 H new ATOM 0 HD2 TYR A 55 83.265 3.500 -10.259 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.978 -0.569 -8.612 1.00 0.00 H new ATOM 0 HE2 TYR A 55 83.418 1.389 -11.544 1.00 0.00 H new ATOM 0 HH TYR A 55 82.352 -1.656 -10.247 1.00 0.00 H new ATOM 971 N VAL A 56 80.591 5.239 -5.401 1.00 0.00 N ATOM 972 CA VAL A 56 80.537 6.308 -4.413 1.00 0.00 C ATOM 973 C VAL A 56 81.623 7.338 -4.683 1.00 0.00 C ATOM 974 O VAL A 56 82.799 6.995 -4.806 1.00 0.00 O ATOM 975 CB VAL A 56 80.723 5.730 -3.008 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.770 6.869 -1.989 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.555 4.804 -2.675 1.00 0.00 C ATOM 0 H VAL A 56 80.779 4.313 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 56 79.563 6.793 -4.482 1.00 0.00 H new ATOM 0 HB VAL A 56 81.656 5.167 -2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.902 6.457 -0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.604 7.531 -2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.837 7.432 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.690 4.394 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.622 5.366 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.518 3.990 -3.399 1.00 0.00 H new ATOM 987 N LYS A 57 81.222 8.601 -4.772 1.00 0.00 N ATOM 988 CA LYS A 57 82.175 9.677 -5.020 1.00 0.00 C ATOM 989 C LYS A 57 83.007 9.962 -3.777 1.00 0.00 C ATOM 990 O LYS A 57 84.229 10.081 -3.849 1.00 0.00 O ATOM 991 CB LYS A 57 81.427 10.944 -5.444 1.00 0.00 C ATOM 992 CG LYS A 57 82.417 12.103 -5.603 1.00 0.00 C ATOM 993 CD LYS A 57 81.702 13.307 -6.216 1.00 0.00 C ATOM 994 CE LYS A 57 82.606 14.538 -6.121 1.00 0.00 C ATOM 995 NZ LYS A 57 82.665 14.998 -4.704 1.00 0.00 N ATOM 0 H LYS A 57 80.253 8.904 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 57 82.846 9.365 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.902 10.770 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.672 11.198 -4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.837 12.371 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.249 11.799 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.453 13.104 -7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.763 13.491 -5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 57 83.607 14.297 -6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 57 82.223 15.335 -6.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.945 15.999 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 81.729 14.887 -4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 83.362 14.429 -4.183 1.00 0.00 H new ATOM 1009 N LYS A 58 82.335 10.075 -2.638 1.00 0.00 N ATOM 1010 CA LYS A 58 83.026 10.351 -1.385 1.00 0.00 C ATOM 1011 C LYS A 58 82.224 9.831 -0.203 1.00 0.00 C ATOM 1012 O LYS A 58 80.996 9.760 -0.258 1.00 0.00 O ATOM 1013 CB LYS A 58 83.242 11.862 -1.234 1.00 0.00 C ATOM 1014 CG LYS A 58 81.885 12.577 -1.166 1.00 0.00 C ATOM 1015 CD LYS A 58 82.107 14.086 -1.053 1.00 0.00 C ATOM 1016 CE LYS A 58 80.752 14.792 -0.963 1.00 0.00 C ATOM 1017 NZ LYS A 58 80.965 16.262 -0.858 1.00 0.00 N ATOM 0 H LYS A 58 81.323 9.981 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 58 83.990 9.843 -1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.818 12.068 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.822 12.242 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.298 12.351 -2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.315 12.218 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.707 14.312 -0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.662 14.449 -1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 58 80.151 14.563 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 58 80.199 14.431 -0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 80.045 16.743 -0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 81.523 16.472 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 81.477 16.600 -1.698 1.00 0.00 H new ATOM 1031 N LEU A 59 82.923 9.481 0.870 1.00 0.00 N ATOM 1032 CA LEU A 59 82.255 8.983 2.062 1.00 0.00 C ATOM 1033 C LEU A 59 83.013 9.393 3.319 1.00 0.00 C ATOM 1034 O LEU A 59 84.226 9.205 3.412 1.00 0.00 O ATOM 1035 CB LEU A 59 82.144 7.453 2.005 1.00 0.00 C ATOM 1036 CG LEU A 59 80.806 6.995 2.589 1.00 0.00 C ATOM 1037 CD1 LEU A 59 80.660 7.540 4.008 1.00 0.00 C ATOM 1038 CD2 LEU A 59 79.651 7.503 1.719 1.00 0.00 C ATOM 0 H LEU A 59 83.939 9.532 0.938 1.00 0.00 H new ATOM 0 HA LEU A 59 81.256 9.418 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.233 7.113 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 59 82.965 7.001 2.562 1.00 0.00 H new ATOM 0 HG LEU A 59 80.778 5.906 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 59 79.707 7.215 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 59 81.475 7.165 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 59 80.693 8.629 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 59 78.703 7.172 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 59 79.673 8.592 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 59 79.755 7.107 0.709 1.00 0.00 H new ATOM 1050 N GLN A 60 82.292 9.952 4.286 1.00 0.00 N ATOM 1051 CA GLN A 60 82.910 10.386 5.530 1.00 0.00 C ATOM 1052 C GLN A 60 83.162 9.199 6.447 1.00 0.00 C ATOM 1053 O GLN A 60 82.309 8.333 6.608 1.00 0.00 O ATOM 1054 CB GLN A 60 82.005 11.390 6.246 1.00 0.00 C ATOM 1055 CG GLN A 60 82.795 12.093 7.351 1.00 0.00 C ATOM 1056 CD GLN A 60 81.833 12.750 8.337 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.778 12.193 8.640 1.00 0.00 O ATOM 1058 NE2 GLN A 60 82.140 13.902 8.869 1.00 0.00 N ATOM 0 H GLN A 60 81.286 10.113 4.231 1.00 0.00 H new ATOM 0 HA GLN A 60 83.862 10.859 5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.623 12.123 5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.141 10.878 6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.429 11.374 7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.455 12.844 6.917 1.00 0.00 H new ATOM 0 HE21 GLN A 60 83.014 14.363 8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.505 14.341 9.536 1.00 0.00 H new ATOM 1067 N ARG A 61 84.348 9.161 7.032 1.00 0.00 N ATOM 1068 CA ARG A 61 84.711 8.064 7.919 1.00 0.00 C ATOM 1069 C ARG A 61 84.045 8.222 9.284 1.00 0.00 C ATOM 1070 O ARG A 61 83.438 9.251 9.582 1.00 0.00 O ATOM 1071 CB ARG A 61 86.229 8.002 8.098 1.00 0.00 C ATOM 1072 CG ARG A 61 86.922 8.143 6.735 1.00 0.00 C ATOM 1073 CD ARG A 61 88.238 7.352 6.726 1.00 0.00 C ATOM 1074 NE ARG A 61 89.248 8.053 5.946 1.00 0.00 N ATOM 1075 CZ ARG A 61 90.520 7.667 5.974 1.00 0.00 C ATOM 1076 NH1 ARG A 61 90.874 6.641 6.697 1.00 0.00 N ATOM 1077 NH2 ARG A 61 91.415 8.316 5.283 1.00 0.00 N ATOM 0 H ARG A 61 85.072 9.870 6.911 1.00 0.00 H new ATOM 0 HA ARG A 61 84.362 7.138 7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.558 8.797 8.767 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.511 7.057 8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.265 7.779 5.945 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.120 9.194 6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 61 88.592 7.211 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.070 6.360 6.307 1.00 0.00 H new ATOM 0 HE ARG A 61 88.976 8.850 5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 61 90.175 6.135 7.241 1.00 0.00 H new ATOM 0 HH12 ARG A 61 91.850 6.345 6.719 1.00 0.00 H new ATOM 0 HH21 ARG A 61 91.140 9.121 4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 61 92.391 8.019 5.305 1.00 0.00 H new ATOM 1091 N ARG A 62 84.173 7.192 10.102 1.00 0.00 N ATOM 1092 CA ARG A 62 83.585 7.216 11.440 1.00 0.00 C ATOM 1093 C ARG A 62 84.324 8.214 12.323 1.00 0.00 C ATOM 1094 O ARG A 62 83.918 8.479 13.456 1.00 0.00 O ATOM 1095 CB ARG A 62 83.643 5.827 12.080 1.00 0.00 C ATOM 1096 CG ARG A 62 82.374 5.598 12.910 1.00 0.00 C ATOM 1097 CD ARG A 62 81.165 5.427 11.984 1.00 0.00 C ATOM 1098 NE ARG A 62 80.522 4.145 12.232 1.00 0.00 N ATOM 1099 CZ ARG A 62 79.591 4.014 13.170 1.00 0.00 C ATOM 1100 NH1 ARG A 62 79.242 5.043 13.894 1.00 0.00 N ATOM 1101 NH2 ARG A 62 79.028 2.854 13.370 1.00 0.00 N ATOM 0 H ARG A 62 84.673 6.334 9.871 1.00 0.00 H new ATOM 0 HA ARG A 62 82.542 7.519 11.347 1.00 0.00 H new ATOM 0 HB2 ARG A 62 83.730 5.062 11.309 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.526 5.742 12.714 1.00 0.00 H new ATOM 0 HG2 ARG A 62 82.493 4.712 13.534 1.00 0.00 H new ATOM 0 HG3 ARG A 62 82.212 6.441 13.581 1.00 0.00 H new ATOM 0 HD2 ARG A 62 80.454 6.237 12.148 1.00 0.00 H new ATOM 0 HD3 ARG A 62 81.483 5.488 10.943 1.00 0.00 H new ATOM 0 HE ARG A 62 80.791 3.333 11.676 1.00 0.00 H new ATOM 0 HH11 ARG A 62 79.685 5.949 13.739 1.00 0.00 H new ATOM 0 HH12 ARG A 62 78.527 4.941 14.614 1.00 0.00 H new ATOM 0 HH21 ARG A 62 79.303 2.050 12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 62 78.313 2.752 14.090 1.00 0.00 H new ATOM 1115 N ASP A 63 85.413 8.761 11.798 1.00 0.00 N ATOM 1116 CA ASP A 63 86.210 9.725 12.539 1.00 0.00 C ATOM 1117 C ASP A 63 85.894 11.144 12.104 1.00 0.00 C ATOM 1118 O ASP A 63 86.604 12.076 12.477 1.00 0.00 O ATOM 1119 CB ASP A 63 87.690 9.449 12.339 1.00 0.00 C ATOM 1120 CG ASP A 63 88.077 8.154 13.041 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.304 7.701 13.870 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.137 7.632 12.739 1.00 0.00 O ATOM 0 H ASP A 63 85.763 8.553 10.863 1.00 0.00 H new ATOM 0 HA ASP A 63 85.962 9.622 13.595 1.00 0.00 H new ATOM 0 HB2 ASP A 63 87.914 9.377 11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.279 10.277 12.734 1.00 0.00 H new ATOM 1127 N ASN A 64 84.829 11.313 11.315 1.00 0.00 N ATOM 1128 CA ASN A 64 84.435 12.631 10.840 1.00 0.00 C ATOM 1129 C ASN A 64 85.435 13.171 9.827 1.00 0.00 C ATOM 1130 O ASN A 64 85.724 14.366 9.809 1.00 0.00 O ATOM 1131 CB ASN A 64 84.309 13.604 12.012 1.00 0.00 C ATOM 1132 CG ASN A 64 83.603 12.920 13.178 1.00 0.00 C ATOM 1133 OD1 ASN A 64 82.768 12.038 12.971 1.00 0.00 O ATOM 1134 ND2 ASN A 64 83.880 13.288 14.396 1.00 0.00 N ATOM 0 H ASN A 64 84.229 10.552 10.996 1.00 0.00 H new ATOM 0 HA ASN A 64 83.466 12.533 10.350 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.297 13.944 12.322 1.00 0.00 H new ATOM 0 HB3 ASN A 64 83.750 14.488 11.704 1.00 0.00 H new ATOM 0 HD21 ASN A 64 83.405 12.846 15.183 1.00 0.00 H new ATOM 0 HD22 ASN A 64 84.572 14.019 14.563 1.00 0.00 H new ATOM 1141 N THR A 65 85.948 12.281 8.980 1.00 0.00 N ATOM 1142 CA THR A 65 86.907 12.683 7.955 1.00 0.00 C ATOM 1143 C THR A 65 86.371 12.352 6.567 1.00 0.00 C ATOM 1144 O THR A 65 85.953 11.225 6.304 1.00 0.00 O ATOM 1145 CB THR A 65 88.240 11.966 8.176 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.013 10.568 8.276 1.00 0.00 O ATOM 1147 CG2 THR A 65 88.884 12.476 9.465 1.00 0.00 C ATOM 0 H THR A 65 85.719 11.287 8.983 1.00 0.00 H new ATOM 0 HA THR A 65 87.060 13.760 8.027 1.00 0.00 H new ATOM 0 HB THR A 65 88.906 12.165 7.336 1.00 0.00 H new ATOM 0 HG1 THR A 65 88.867 10.107 8.416 1.00 0.00 H new ATOM 0 HG21 THR A 65 89.834 11.966 9.624 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.057 13.549 9.385 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.220 12.277 10.307 1.00 0.00 H new ATOM 1155 N PHE A 66 86.387 13.346 5.681 1.00 0.00 N ATOM 1156 CA PHE A 66 85.896 13.148 4.322 1.00 0.00 C ATOM 1157 C PHE A 66 86.899 12.357 3.495 1.00 0.00 C ATOM 1158 O PHE A 66 88.061 12.749 3.374 1.00 0.00 O ATOM 1159 CB PHE A 66 85.647 14.503 3.653 1.00 0.00 C ATOM 1160 CG PHE A 66 84.410 15.140 4.239 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.142 14.672 3.872 1.00 0.00 C ATOM 1162 CD2 PHE A 66 84.528 16.199 5.149 1.00 0.00 C ATOM 1163 CE1 PHE A 66 81.994 15.261 4.415 1.00 0.00 C ATOM 1164 CE2 PHE A 66 83.379 16.789 5.690 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.112 16.320 5.323 1.00 0.00 C ATOM 0 H PHE A 66 86.731 14.286 5.878 1.00 0.00 H new ATOM 0 HA PHE A 66 84.963 12.587 4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.508 15.155 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.526 14.372 2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.050 13.857 3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 66 85.505 16.560 5.433 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.017 14.898 4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 66 83.470 17.606 6.390 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.226 16.775 5.740 1.00 0.00 H new ATOM 1175 N PHE A 67 86.442 11.245 2.928 1.00 0.00 N ATOM 1176 CA PHE A 67 87.303 10.398 2.110 1.00 0.00 C ATOM 1177 C PHE A 67 86.772 10.326 0.682 1.00 0.00 C ATOM 1178 O PHE A 67 85.620 9.954 0.456 1.00 0.00 O ATOM 1179 CB PHE A 67 87.371 8.988 2.698 1.00 0.00 C ATOM 1180 CG PHE A 67 88.426 8.190 1.968 1.00 0.00 C ATOM 1181 CD1 PHE A 67 88.130 7.600 0.736 1.00 0.00 C ATOM 1182 CD2 PHE A 67 89.700 8.048 2.520 1.00 0.00 C ATOM 1183 CE1 PHE A 67 89.109 6.862 0.059 1.00 0.00 C ATOM 1184 CE2 PHE A 67 90.681 7.311 1.846 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.384 6.716 0.615 1.00 0.00 C ATOM 0 H PHE A 67 85.483 10.910 3.020 1.00 0.00 H new ATOM 0 HA PHE A 67 88.303 10.833 2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.607 9.036 3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.402 8.498 2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 67 87.146 7.713 0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 67 89.930 8.508 3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 67 88.879 6.406 -0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 67 91.666 7.202 2.276 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.138 6.145 0.095 1.00 0.00 H new ATOM 1195 N TYR A 68 87.619 10.686 -0.276 1.00 0.00 N ATOM 1196 CA TYR A 68 87.221 10.660 -1.678 1.00 0.00 C ATOM 1197 C TYR A 68 87.597 9.326 -2.315 1.00 0.00 C ATOM 1198 O TYR A 68 88.720 8.846 -2.158 1.00 0.00 O ATOM 1199 CB TYR A 68 87.907 11.801 -2.433 1.00 0.00 C ATOM 1200 CG TYR A 68 87.321 13.122 -1.994 1.00 0.00 C ATOM 1201 CD1 TYR A 68 87.857 13.794 -0.889 1.00 0.00 C ATOM 1202 CD2 TYR A 68 86.242 13.675 -2.692 1.00 0.00 C ATOM 1203 CE1 TYR A 68 87.314 15.018 -0.482 1.00 0.00 C ATOM 1204 CE2 TYR A 68 85.698 14.900 -2.287 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.234 15.571 -1.181 1.00 0.00 C ATOM 1206 OH TYR A 68 85.697 16.777 -0.779 1.00 0.00 O ATOM 0 H TYR A 68 88.576 10.996 -0.110 1.00 0.00 H new ATOM 0 HA TYR A 68 86.140 10.784 -1.735 1.00 0.00 H new ATOM 0 HB2 TYR A 68 88.980 11.785 -2.240 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.774 11.672 -3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 68 88.690 13.368 -0.350 1.00 0.00 H new ATOM 0 HD2 TYR A 68 85.828 13.156 -3.544 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.728 15.536 0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 68 84.866 15.327 -2.827 1.00 0.00 H new ATOM 0 HH TYR A 68 84.955 17.019 -1.372 1.00 0.00 H new ATOM 1216 N TYR A 69 86.649 8.736 -3.036 1.00 0.00 N ATOM 1217 CA TYR A 69 86.878 7.458 -3.699 1.00 0.00 C ATOM 1218 C TYR A 69 87.053 7.648 -5.201 1.00 0.00 C ATOM 1219 O TYR A 69 86.576 8.630 -5.771 1.00 0.00 O ATOM 1220 CB TYR A 69 85.709 6.507 -3.437 1.00 0.00 C ATOM 1221 CG TYR A 69 85.797 5.972 -2.028 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.593 4.852 -1.759 1.00 0.00 C ATOM 1223 CD2 TYR A 69 85.085 6.589 -0.994 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.678 4.349 -0.456 1.00 0.00 C ATOM 1225 CE2 TYR A 69 85.169 6.083 0.307 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.966 4.965 0.578 1.00 0.00 C ATOM 1227 OH TYR A 69 86.047 4.469 1.864 1.00 0.00 O ATOM 0 H TYR A 69 85.715 9.123 -3.176 1.00 0.00 H new ATOM 0 HA TYR A 69 87.793 7.028 -3.291 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.763 7.029 -3.580 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.730 5.684 -4.151 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.142 4.376 -2.558 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.472 7.454 -1.200 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.293 3.486 -0.249 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.617 6.557 1.105 1.00 0.00 H new ATOM 0 HH TYR A 69 85.279 3.886 2.039 1.00 0.00 H new ATOM 1237 N ASN A 70 87.739 6.705 -5.837 1.00 0.00 N ATOM 1238 CA ASN A 70 87.969 6.781 -7.273 1.00 0.00 C ATOM 1239 C ASN A 70 86.939 5.938 -8.021 1.00 0.00 C ATOM 1240 O ASN A 70 86.764 4.753 -7.733 1.00 0.00 O ATOM 1241 CB ASN A 70 89.381 6.288 -7.605 1.00 0.00 C ATOM 1242 CG ASN A 70 89.368 4.781 -7.837 1.00 0.00 C ATOM 1243 OD1 ASN A 70 89.082 4.326 -8.944 1.00 0.00 O ATOM 1244 ND2 ASN A 70 89.656 3.975 -6.853 1.00 0.00 N ATOM 0 H ASN A 70 88.143 5.885 -5.384 1.00 0.00 H new ATOM 0 HA ASN A 70 87.869 7.820 -7.587 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.753 6.798 -8.494 1.00 0.00 H new ATOM 0 HB3 ASN A 70 90.061 6.532 -6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.644 2.966 -7.000 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.893 4.354 -5.936 1.00 0.00 H new ATOM 1251 N LYS A 71 86.264 6.554 -8.983 1.00 0.00 N ATOM 1252 CA LYS A 71 85.261 5.847 -9.769 1.00 0.00 C ATOM 1253 C LYS A 71 85.922 4.806 -10.679 1.00 0.00 C ATOM 1254 O LYS A 71 85.288 3.860 -11.132 1.00 0.00 O ATOM 1255 CB LYS A 71 84.462 6.842 -10.612 1.00 0.00 C ATOM 1256 CG LYS A 71 85.401 7.606 -11.551 1.00 0.00 C ATOM 1257 CD LYS A 71 84.840 7.567 -12.969 1.00 0.00 C ATOM 1258 CE LYS A 71 85.739 8.391 -13.890 1.00 0.00 C ATOM 1259 NZ LYS A 71 85.391 8.108 -15.310 1.00 0.00 N ATOM 0 H LYS A 71 86.391 7.534 -9.237 1.00 0.00 H new ATOM 0 HA LYS A 71 84.587 5.332 -9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.705 6.314 -11.192 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.936 7.541 -9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.506 8.638 -11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 71 86.396 7.161 -11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.784 6.537 -13.322 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.825 7.964 -12.982 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.616 9.453 -13.680 1.00 0.00 H new ATOM 0 HE3 LYS A 71 86.786 8.148 -13.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 86.263 7.986 -15.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 84.823 7.238 -15.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 84.843 8.902 -15.698 1.00 0.00 H new ATOM 1273 N GLU A 72 87.202 4.996 -10.952 1.00 0.00 N ATOM 1274 CA GLU A 72 87.923 4.073 -11.813 1.00 0.00 C ATOM 1275 C GLU A 72 88.235 2.791 -11.061 1.00 0.00 C ATOM 1276 O GLU A 72 89.396 2.406 -10.943 1.00 0.00 O ATOM 1277 CB GLU A 72 89.230 4.709 -12.286 1.00 0.00 C ATOM 1278 CG GLU A 72 88.925 5.897 -13.199 1.00 0.00 C ATOM 1279 CD GLU A 72 90.225 6.514 -13.704 1.00 0.00 C ATOM 1280 OE1 GLU A 72 91.277 6.050 -13.294 1.00 0.00 O ATOM 1281 OE2 GLU A 72 90.150 7.440 -14.494 1.00 0.00 O ATOM 0 H GLU A 72 87.759 5.772 -10.594 1.00 0.00 H new ATOM 0 HA GLU A 72 87.297 3.844 -12.675 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.816 5.038 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.831 3.973 -12.820 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.316 5.571 -14.042 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.345 6.644 -12.656 1.00 0.00 H new ATOM 1288 N ARG A 73 87.192 2.144 -10.547 1.00 0.00 N ATOM 1289 CA ARG A 73 87.360 0.906 -9.793 1.00 0.00 C ATOM 1290 C ARG A 73 88.490 0.064 -10.369 1.00 0.00 C ATOM 1291 O ARG A 73 88.583 -0.122 -11.582 1.00 0.00 O ATOM 1292 CB ARG A 73 86.060 0.102 -9.826 1.00 0.00 C ATOM 1293 CG ARG A 73 85.601 -0.221 -8.405 1.00 0.00 C ATOM 1294 CD ARG A 73 86.483 -1.327 -7.841 1.00 0.00 C ATOM 1295 NE ARG A 73 86.179 -1.557 -6.433 1.00 0.00 N ATOM 1296 CZ ARG A 73 86.761 -0.836 -5.480 1.00 0.00 C ATOM 1297 NH1 ARG A 73 87.626 0.087 -5.800 1.00 0.00 N ATOM 1298 NH2 ARG A 73 86.469 -1.050 -4.226 1.00 0.00 N ATOM 0 H ARG A 73 86.225 2.456 -10.639 1.00 0.00 H new ATOM 0 HA ARG A 73 87.610 1.165 -8.764 1.00 0.00 H new ATOM 0 HB2 ARG A 73 85.287 0.668 -10.345 1.00 0.00 H new ATOM 0 HB3 ARG A 73 86.209 -0.821 -10.386 1.00 0.00 H new ATOM 0 HG2 ARG A 73 85.664 0.668 -7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 73 84.557 -0.536 -8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 73 86.330 -2.246 -8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 73 87.533 -1.055 -7.953 1.00 0.00 H new ATOM 0 HE ARG A 73 85.510 -2.282 -6.176 1.00 0.00 H new ATOM 0 HH11 ARG A 73 87.854 0.254 -6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 73 88.074 0.641 -5.070 1.00 0.00 H new ATOM 0 HH21 ARG A 73 85.793 -1.772 -3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 73 86.917 -0.496 -3.496 1.00 0.00 H new ATOM 1312 N GLU A 74 89.347 -0.437 -9.486 1.00 0.00 N ATOM 1313 CA GLU A 74 90.477 -1.256 -9.905 1.00 0.00 C ATOM 1314 C GLU A 74 90.670 -2.421 -8.935 1.00 0.00 C ATOM 1315 O GLU A 74 91.793 -2.781 -8.585 1.00 0.00 O ATOM 1316 CB GLU A 74 91.751 -0.401 -9.963 1.00 0.00 C ATOM 1317 CG GLU A 74 91.859 0.266 -11.336 1.00 0.00 C ATOM 1318 CD GLU A 74 92.214 -0.774 -12.392 1.00 0.00 C ATOM 1319 OE1 GLU A 74 93.355 -1.211 -12.405 1.00 0.00 O ATOM 1320 OE2 GLU A 74 91.342 -1.121 -13.171 1.00 0.00 O ATOM 0 H GLU A 74 89.281 -0.291 -8.479 1.00 0.00 H new ATOM 0 HA GLU A 74 90.274 -1.656 -10.898 1.00 0.00 H new ATOM 0 HB2 GLU A 74 91.728 0.357 -9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 74 92.627 -1.023 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 74 90.915 0.748 -11.591 1.00 0.00 H new ATOM 0 HG3 GLU A 74 92.619 1.047 -11.312 1.00 0.00 H new ATOM 1327 N CYS A 75 89.563 -3.013 -8.509 1.00 0.00 N ATOM 1328 CA CYS A 75 89.626 -4.141 -7.590 1.00 0.00 C ATOM 1329 C CYS A 75 89.746 -5.461 -8.348 1.00 0.00 C ATOM 1330 O CYS A 75 89.290 -5.579 -9.485 1.00 0.00 O ATOM 1331 CB CYS A 75 88.379 -4.178 -6.716 1.00 0.00 C ATOM 1332 SG CYS A 75 87.798 -5.882 -6.601 1.00 0.00 S ATOM 0 H CYS A 75 88.620 -2.735 -8.781 1.00 0.00 H new ATOM 0 HA CYS A 75 90.510 -4.012 -6.965 1.00 0.00 H new ATOM 0 HB2 CYS A 75 88.603 -3.788 -5.723 1.00 0.00 H new ATOM 0 HB3 CYS A 75 87.602 -3.542 -7.141 1.00 0.00 H new ATOM 0 HG CYS A 75 86.616 -5.974 -7.134 1.00 0.00 H new ATOM 1338 N GLU A 76 90.366 -6.445 -7.705 1.00 0.00 N ATOM 1339 CA GLU A 76 90.555 -7.758 -8.312 1.00 0.00 C ATOM 1340 C GLU A 76 90.170 -8.863 -7.333 1.00 0.00 C ATOM 1341 O GLU A 76 89.851 -8.597 -6.170 1.00 0.00 O ATOM 1342 CB GLU A 76 92.007 -7.943 -8.754 1.00 0.00 C ATOM 1343 CG GLU A 76 92.300 -7.034 -9.951 1.00 0.00 C ATOM 1344 CD GLU A 76 93.788 -7.067 -10.276 1.00 0.00 C ATOM 1345 OE1 GLU A 76 94.546 -7.533 -9.442 1.00 0.00 O ATOM 1346 OE2 GLU A 76 94.147 -6.628 -11.356 1.00 0.00 O ATOM 0 H GLU A 76 90.747 -6.358 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 76 89.909 -7.820 -9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 76 92.681 -7.706 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 76 92.186 -8.984 -9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 76 91.723 -7.360 -10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 76 91.990 -6.013 -9.728 1.00 0.00 H new ATOM 1353 N ASP A 77 90.189 -10.100 -7.812 1.00 0.00 N ATOM 1354 CA ASP A 77 89.834 -11.238 -6.970 1.00 0.00 C ATOM 1355 C ASP A 77 90.527 -11.133 -5.616 1.00 0.00 C ATOM 1356 O ASP A 77 90.063 -11.697 -4.628 1.00 0.00 O ATOM 1357 CB ASP A 77 90.255 -12.541 -7.657 1.00 0.00 C ATOM 1358 CG ASP A 77 89.663 -13.735 -6.918 1.00 0.00 C ATOM 1359 OD1 ASP A 77 88.451 -13.870 -6.924 1.00 0.00 O ATOM 1360 OD2 ASP A 77 90.431 -14.498 -6.354 1.00 0.00 O ATOM 0 H ASP A 77 90.444 -10.341 -8.770 1.00 0.00 H new ATOM 0 HA ASP A 77 88.755 -11.236 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 77 89.918 -12.541 -8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 77 91.342 -12.617 -7.676 1.00 0.00 H new ATOM 1365 N LYS A 78 91.622 -10.384 -5.579 1.00 0.00 N ATOM 1366 CA LYS A 78 92.370 -10.180 -4.343 1.00 0.00 C ATOM 1367 C LYS A 78 91.540 -9.404 -3.322 1.00 0.00 C ATOM 1368 O LYS A 78 91.601 -9.673 -2.116 1.00 0.00 O ATOM 1369 CB LYS A 78 93.671 -9.428 -4.626 1.00 0.00 C ATOM 1370 CG LYS A 78 94.439 -9.232 -3.312 1.00 0.00 C ATOM 1371 CD LYS A 78 94.257 -7.795 -2.809 1.00 0.00 C ATOM 1372 CE LYS A 78 95.242 -6.877 -3.531 1.00 0.00 C ATOM 1373 NZ LYS A 78 94.742 -5.475 -3.475 1.00 0.00 N ATOM 0 H LYS A 78 92.013 -9.907 -6.391 1.00 0.00 H new ATOM 0 HA LYS A 78 92.604 -11.160 -3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 78 94.280 -9.986 -5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.454 -8.462 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 78 94.080 -9.937 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 78 95.498 -9.441 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 78 93.235 -7.462 -2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 78 94.423 -7.751 -1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 78 96.226 -6.943 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 78 95.358 -7.193 -4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 95.411 -4.848 -3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 93.812 -5.419 -3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 94.653 -5.177 -2.482 1.00 0.00 H new ATOM 1387 N GLU A 79 90.752 -8.444 -3.807 1.00 0.00 N ATOM 1388 CA GLU A 79 89.918 -7.638 -2.933 1.00 0.00 C ATOM 1389 C GLU A 79 88.644 -8.385 -2.564 1.00 0.00 C ATOM 1390 O GLU A 79 88.145 -8.274 -1.458 1.00 0.00 O ATOM 1391 CB GLU A 79 89.565 -6.328 -3.631 1.00 0.00 C ATOM 1392 CG GLU A 79 90.702 -5.319 -3.445 1.00 0.00 C ATOM 1393 CD GLU A 79 90.653 -4.730 -2.041 1.00 0.00 C ATOM 1394 OE1 GLU A 79 89.985 -3.724 -1.865 1.00 0.00 O ATOM 1395 OE2 GLU A 79 91.284 -5.292 -1.162 1.00 0.00 O ATOM 0 H GLU A 79 90.678 -8.211 -4.797 1.00 0.00 H new ATOM 0 HA GLU A 79 90.472 -7.428 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.394 -6.506 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.638 -5.925 -3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 79 91.663 -5.807 -3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 79 90.617 -4.523 -4.185 1.00 0.00 H new ATOM 1402 N VAL A 80 88.114 -9.151 -3.497 1.00 0.00 N ATOM 1403 CA VAL A 80 86.892 -9.891 -3.227 1.00 0.00 C ATOM 1404 C VAL A 80 87.096 -10.838 -2.047 1.00 0.00 C ATOM 1405 O VAL A 80 86.218 -10.994 -1.197 1.00 0.00 O ATOM 1406 CB VAL A 80 86.511 -10.703 -4.452 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.244 -11.506 -4.166 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.264 -9.758 -5.625 1.00 0.00 C ATOM 0 H VAL A 80 88.500 -9.278 -4.433 1.00 0.00 H new ATOM 0 HA VAL A 80 86.099 -9.183 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 80 87.321 -11.390 -4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 80 84.975 -12.087 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.422 -12.180 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.430 -10.825 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 80 85.990 -10.337 -6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.455 -9.072 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 80 87.171 -9.189 -5.831 1.00 0.00 H new ATOM 1418 N HIS A 81 88.248 -11.499 -2.024 1.00 0.00 N ATOM 1419 CA HIS A 81 88.541 -12.459 -0.960 1.00 0.00 C ATOM 1420 C HIS A 81 88.778 -11.781 0.386 1.00 0.00 C ATOM 1421 O HIS A 81 88.293 -12.252 1.415 1.00 0.00 O ATOM 1422 CB HIS A 81 89.796 -13.259 -1.314 1.00 0.00 C ATOM 1423 CG HIS A 81 89.488 -14.240 -2.406 1.00 0.00 C ATOM 1424 ND1 HIS A 81 88.525 -15.227 -2.261 1.00 0.00 N ATOM 1425 CD2 HIS A 81 90.012 -14.412 -3.663 1.00 0.00 C ATOM 1426 CE1 HIS A 81 88.497 -15.937 -3.402 1.00 0.00 C ATOM 1427 NE2 HIS A 81 89.383 -15.481 -4.291 1.00 0.00 N ATOM 0 H HIS A 81 88.987 -11.392 -2.719 1.00 0.00 H new ATOM 0 HA HIS A 81 87.670 -13.108 -0.874 1.00 0.00 H new ATOM 0 HB2 HIS A 81 90.590 -12.584 -1.634 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.162 -13.786 -0.433 1.00 0.00 H new ATOM 0 HD2 HIS A 81 90.795 -13.808 -4.098 1.00 0.00 H new ATOM 0 HE1 HIS A 81 87.838 -16.774 -3.578 1.00 0.00 H new ATOM 0 HE2 HIS A 81 89.560 -15.840 -5.229 1.00 0.00 H new ATOM 1435 N LYS A 82 89.517 -10.676 0.381 1.00 0.00 N ATOM 1436 CA LYS A 82 89.796 -9.963 1.619 1.00 0.00 C ATOM 1437 C LYS A 82 88.604 -9.108 2.049 1.00 0.00 C ATOM 1438 O LYS A 82 88.494 -8.720 3.211 1.00 0.00 O ATOM 1439 CB LYS A 82 91.042 -9.109 1.443 1.00 0.00 C ATOM 1440 CG LYS A 82 90.732 -7.918 0.544 1.00 0.00 C ATOM 1441 CD LYS A 82 90.653 -6.632 1.364 1.00 0.00 C ATOM 1442 CE LYS A 82 92.065 -6.123 1.633 1.00 0.00 C ATOM 1443 NZ LYS A 82 91.991 -4.853 2.395 1.00 0.00 N ATOM 0 H LYS A 82 89.928 -10.261 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 82 89.972 -10.692 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.395 -8.761 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.844 -9.705 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.503 -7.822 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 82 89.788 -8.083 0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 82 90.078 -5.878 0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 82 90.135 -6.817 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.631 -6.866 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.593 -5.966 0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.953 -4.503 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 91.466 -4.146 1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 91.503 -5.018 3.298 1.00 0.00 H new ATOM 1457 N VAL A 83 87.716 -8.827 1.102 1.00 0.00 N ATOM 1458 CA VAL A 83 86.531 -8.029 1.385 1.00 0.00 C ATOM 1459 C VAL A 83 85.430 -8.911 1.953 1.00 0.00 C ATOM 1460 O VAL A 83 85.183 -10.007 1.452 1.00 0.00 O ATOM 1461 CB VAL A 83 86.037 -7.344 0.114 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.676 -6.699 0.382 1.00 0.00 C ATOM 1463 CG2 VAL A 83 87.037 -6.263 -0.295 1.00 0.00 C ATOM 0 H VAL A 83 87.795 -9.139 0.134 1.00 0.00 H new ATOM 0 HA VAL A 83 86.794 -7.267 2.119 1.00 0.00 H new ATOM 0 HB VAL A 83 85.942 -8.078 -0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.321 -6.209 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.963 -7.466 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.773 -5.962 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.689 -5.770 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 83 87.126 -5.528 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 83 88.010 -6.718 -0.480 1.00 0.00 H new ATOM 1473 N LYS A 84 84.771 -8.431 3.003 1.00 0.00 N ATOM 1474 CA LYS A 84 83.695 -9.189 3.634 1.00 0.00 C ATOM 1475 C LYS A 84 82.348 -8.558 3.312 1.00 0.00 C ATOM 1476 O LYS A 84 82.277 -7.370 2.995 1.00 0.00 O ATOM 1477 CB LYS A 84 83.903 -9.214 5.152 1.00 0.00 C ATOM 1478 CG LYS A 84 83.743 -7.812 5.728 1.00 0.00 C ATOM 1479 CD LYS A 84 84.107 -7.844 7.209 1.00 0.00 C ATOM 1480 CE LYS A 84 83.701 -6.521 7.839 1.00 0.00 C ATOM 1481 NZ LYS A 84 84.087 -6.510 9.280 1.00 0.00 N ATOM 0 H LYS A 84 84.961 -7.526 3.433 1.00 0.00 H new ATOM 0 HA LYS A 84 83.709 -10.209 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.183 -9.889 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 84 84.896 -9.599 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 84 84.386 -7.110 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 84 82.718 -7.466 5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 84 83.599 -8.671 7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 84 85.178 -8.008 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 84 84.184 -5.695 7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 84 82.625 -6.375 7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 83.808 -5.604 9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 83.606 -7.289 9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 85.117 -6.630 9.365 1.00 0.00 H new ATOM 1495 N VAL A 85 81.285 -9.356 3.386 1.00 0.00 N ATOM 1496 CA VAL A 85 79.947 -8.850 3.096 1.00 0.00 C ATOM 1497 C VAL A 85 79.008 -9.147 4.263 1.00 0.00 C ATOM 1498 O VAL A 85 78.867 -10.295 4.684 1.00 0.00 O ATOM 1499 CB VAL A 85 79.411 -9.505 1.824 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.108 -8.824 1.400 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.446 -9.378 0.709 1.00 0.00 C ATOM 0 H VAL A 85 81.323 -10.343 3.641 1.00 0.00 H new ATOM 0 HA VAL A 85 80.002 -7.771 2.951 1.00 0.00 H new ATOM 0 HB VAL A 85 79.216 -10.560 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.730 -9.295 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.370 -8.924 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.295 -7.767 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 85 80.063 -9.846 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.647 -8.324 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.369 -9.874 1.011 1.00 0.00 H new ATOM 1511 N TYR A 86 78.368 -8.106 4.781 1.00 0.00 N ATOM 1512 CA TYR A 86 77.448 -8.268 5.902 1.00 0.00 C ATOM 1513 C TYR A 86 76.028 -8.529 5.404 1.00 0.00 C ATOM 1514 O TYR A 86 75.616 -8.001 4.370 1.00 0.00 O ATOM 1515 CB TYR A 86 77.463 -7.010 6.773 1.00 0.00 C ATOM 1516 CG TYR A 86 76.372 -6.067 6.319 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.341 -5.614 4.998 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.387 -5.659 7.219 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.324 -4.749 4.579 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.368 -4.794 6.804 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.336 -4.339 5.482 1.00 0.00 C ATOM 1522 OH TYR A 86 73.334 -3.485 5.071 1.00 0.00 O ATOM 0 H TYR A 86 78.467 -7.147 4.447 1.00 0.00 H new ATOM 0 HA TYR A 86 77.773 -9.125 6.492 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.314 -7.278 7.819 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.434 -6.519 6.704 1.00 0.00 H new ATOM 0 HD1 TYR A 86 77.102 -5.931 4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 86 75.411 -6.012 8.239 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.301 -4.397 3.558 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.608 -4.479 7.503 1.00 0.00 H new ATOM 0 HH TYR A 86 72.731 -3.302 5.822 1.00 0.00 H new ATOM 1532 N VAL A 87 75.285 -9.345 6.144 1.00 0.00 N ATOM 1533 CA VAL A 87 73.911 -9.660 5.776 1.00 0.00 C ATOM 1534 C VAL A 87 72.971 -9.448 6.961 1.00 0.00 C ATOM 1535 O VAL A 87 73.167 -10.018 8.036 1.00 0.00 O ATOM 1536 CB VAL A 87 73.814 -11.106 5.289 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.336 -11.200 3.854 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.662 -12.002 6.190 1.00 0.00 C ATOM 0 H VAL A 87 75.610 -9.798 6.998 1.00 0.00 H new ATOM 0 HA VAL A 87 73.611 -8.990 4.970 1.00 0.00 H new ATOM 0 HB VAL A 87 72.773 -11.429 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.266 -12.231 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 87 73.738 -10.559 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.377 -10.877 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.594 -13.034 5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.701 -11.675 6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 87 74.296 -11.938 7.215 1.00 0.00 H new ATOM 1548 N TYR A 88 71.946 -8.631 6.756 1.00 0.00 N ATOM 1549 CA TYR A 88 70.983 -8.358 7.815 1.00 0.00 C ATOM 1550 C TYR A 88 69.752 -9.242 7.655 1.00 0.00 C ATOM 1551 O TYR A 88 69.606 -9.833 6.598 1.00 0.00 O ATOM 1552 CB TYR A 88 70.567 -6.886 7.780 1.00 0.00 C ATOM 1553 CG TYR A 88 69.937 -6.573 6.445 1.00 0.00 C ATOM 1554 CD1 TYR A 88 70.742 -6.194 5.366 1.00 0.00 C ATOM 1555 CD2 TYR A 88 68.550 -6.666 6.287 1.00 0.00 C ATOM 1556 CE1 TYR A 88 70.159 -5.904 4.126 1.00 0.00 C ATOM 1557 CE2 TYR A 88 67.966 -6.376 5.046 1.00 0.00 C ATOM 1558 CZ TYR A 88 68.772 -5.995 3.967 1.00 0.00 C ATOM 1559 OH TYR A 88 68.196 -5.709 2.745 1.00 0.00 O ATOM 1560 OXT TYR A 88 68.974 -9.318 8.593 1.00 0.00 O ATOM 0 H TYR A 88 71.761 -8.150 5.876 1.00 0.00 H new ATOM 0 HA TYR A 88 71.453 -8.576 8.774 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.862 -6.677 8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 88 71.435 -6.248 7.943 1.00 0.00 H new ATOM 0 HD1 TYR A 88 71.813 -6.125 5.489 1.00 0.00 H new ATOM 0 HD2 TYR A 88 67.930 -6.961 7.120 1.00 0.00 H new ATOM 0 HE1 TYR A 88 70.780 -5.610 3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 88 66.895 -6.446 4.923 1.00 0.00 H new ATOM 0 HH TYR A 88 67.225 -5.822 2.807 1.00 0.00 H new TER 1570 TYR A 88