USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 927 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 18 MET CE :methyl 159:sc= -0.0637 (180deg=-0.452) USER MOD Set 1.2: A 60 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 56 CYS SG : rot 81:sc= -1.61! USER MOD Set 2.2: A 69 TYR OH : rot 9:sc= 0.482 USER MOD Set 3.1: A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -135:sc= -0.356 (180deg=-1.85) USER MOD Single : A 1 MET N :NH3+ -142:sc= -0.122 (180deg=-1.38!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 10 HIS : no HE2:sc= 0.329 K(o=0.33,f=-2) USER MOD Single : A 11 MET CE :methyl 171:sc= -0.0129 (180deg=-0.13) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc=-0.00413 (180deg=-0.0648) USER MOD Single : A 26 THR OG1 : rot 74:sc= -0.203 USER MOD Single : A 29 TYR OH : rot -88:sc= 0.241 USER MOD Single : A 33 SER OG : rot 180:sc= 0.162 USER MOD Single : A 43 SER OG : rot -9:sc= -0.804 USER MOD Single : A 46 HIS : no HE2:sc= -0.332 K(o=-0.32,f=-2.3) USER MOD Single : A 47 HIS : no HD1:sc= -0.0849 K(o=-0.085,f=-0.82) USER MOD Single : A 48 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.021) USER MOD Single : A 58 THR OG1 : rot -5:sc= 0.788 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00507 USER MOD Single : A 67 THR OG1 : rot -58:sc= 0.541 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 76 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.65) USER MOD Single : A 79 LYS NZ :NH3+ -117:sc= 0.477 (180deg=0.12) USER MOD Single : A 82 GLN : amide:sc= -2.02 K(o=-2,f=-0.5) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -9:sc= 0.0795 USER MOD Single : A 97 THR OG1 : rot 79:sc= 0.329 USER MOD Single : A 98 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.24) USER MOD Single : A 101 LYS NZ :NH3+ 147:sc= 0.00891 (180deg=-0.482) USER MOD Single : A 102 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00523) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0145 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.307 15.423 12.793 1.00 71.14 N ATOM 2 CA MET A 1 8.387 14.508 13.252 1.00 14.23 C ATOM 3 C MET A 1 9.278 15.205 14.305 1.00 34.20 C ATOM 4 O MET A 1 9.999 14.544 15.069 1.00 54.23 O ATOM 5 CB MET A 1 9.181 13.977 12.022 1.00 65.04 C ATOM 6 CG MET A 1 10.287 12.950 12.331 1.00 25.23 C ATOM 7 SD MET A 1 10.713 11.925 10.901 1.00 71.45 S ATOM 8 CE MET A 1 9.227 10.924 10.734 1.00 43.43 C ATOM 0 H1 MET A 1 6.430 14.882 12.653 1.00 71.14 H new ATOM 0 H2 MET A 1 7.148 16.160 13.510 1.00 71.14 H new ATOM 0 H3 MET A 1 7.587 15.868 11.895 1.00 71.14 H new ATOM 0 HA MET A 1 7.955 13.640 13.751 1.00 14.23 H new ATOM 0 HB2 MET A 1 8.475 13.524 11.326 1.00 65.04 H new ATOM 0 HB3 MET A 1 9.633 14.827 11.511 1.00 65.04 H new ATOM 0 HG2 MET A 1 11.178 13.475 12.674 1.00 25.23 H new ATOM 0 HG3 MET A 1 9.961 12.307 13.149 1.00 25.23 H new ATOM 0 HE1 MET A 1 9.506 9.883 10.572 1.00 43.43 H new ATOM 0 HE2 MET A 1 8.631 11.003 11.643 1.00 43.43 H new ATOM 0 HE3 MET A 1 8.642 11.279 9.885 1.00 43.43 H new ATOM 20 N GLY A 2 9.216 16.549 14.343 1.00 24.12 N ATOM 21 CA GLY A 2 9.721 17.325 15.472 1.00 50.52 C ATOM 22 C GLY A 2 11.046 18.027 15.203 1.00 34.42 C ATOM 23 O GLY A 2 11.048 19.122 14.627 1.00 35.32 O ATOM 0 H GLY A 2 8.817 17.116 13.595 1.00 24.12 H new ATOM 0 HA2 GLY A 2 8.976 18.072 15.748 1.00 50.52 H new ATOM 0 HA3 GLY A 2 9.841 16.663 16.329 1.00 50.52 H new ATOM 27 N HIS A 3 12.160 17.350 15.578 1.00 40.02 N ATOM 28 CA HIS A 3 13.503 17.964 15.784 1.00 34.11 C ATOM 29 C HIS A 3 13.524 18.787 17.100 1.00 45.24 C ATOM 30 O HIS A 3 12.529 18.818 17.852 1.00 1.22 O ATOM 31 CB HIS A 3 14.007 18.814 14.568 1.00 2.14 C ATOM 32 CG HIS A 3 14.343 18.038 13.311 1.00 15.14 C ATOM 33 ND1 HIS A 3 14.886 18.641 12.196 1.00 31.43 N ATOM 34 CD2 HIS A 3 14.214 16.724 12.994 1.00 12.24 C ATOM 35 CE1 HIS A 3 15.073 17.740 11.252 1.00 23.42 C ATOM 36 NE2 HIS A 3 14.670 16.572 11.709 1.00 51.42 N ATOM 0 H HIS A 3 12.154 16.345 15.750 1.00 40.02 H new ATOM 0 HA HIS A 3 14.210 17.138 15.867 1.00 34.11 H new ATOM 0 HB2 HIS A 3 13.242 19.551 14.323 1.00 2.14 H new ATOM 0 HB3 HIS A 3 14.894 19.366 14.879 1.00 2.14 H new ATOM 0 HD2 HIS A 3 13.825 15.945 13.633 1.00 12.24 H new ATOM 0 HE1 HIS A 3 15.486 17.927 10.272 1.00 23.42 H new ATOM 0 HE2 HIS A 3 14.693 15.694 11.190 1.00 51.42 H new ATOM 45 N HIS A 4 14.681 19.423 17.376 1.00 2.52 N ATOM 46 CA HIS A 4 14.925 20.195 18.612 1.00 51.41 C ATOM 47 C HIS A 4 13.930 21.370 18.741 1.00 50.11 C ATOM 48 O HIS A 4 13.035 21.356 19.600 1.00 45.51 O ATOM 49 CB HIS A 4 16.404 20.681 18.624 1.00 31.33 C ATOM 50 CG HIS A 4 16.766 21.656 19.719 1.00 14.00 C ATOM 51 ND1 HIS A 4 17.407 22.847 19.459 1.00 25.45 N ATOM 52 CD2 HIS A 4 16.603 21.610 21.067 1.00 14.10 C ATOM 53 CE1 HIS A 4 17.631 23.485 20.583 1.00 22.24 C ATOM 54 NE2 HIS A 4 17.152 22.762 21.577 1.00 74.41 N ATOM 0 H HIS A 4 15.480 19.415 16.741 1.00 2.52 H new ATOM 0 HA HIS A 4 14.761 19.555 19.479 1.00 51.41 H new ATOM 0 HB2 HIS A 4 17.053 19.809 18.711 1.00 31.33 H new ATOM 0 HB3 HIS A 4 16.622 21.146 17.663 1.00 31.33 H new ATOM 0 HD2 HIS A 4 16.132 20.819 21.631 1.00 14.10 H new ATOM 0 HE1 HIS A 4 18.124 24.441 20.679 1.00 22.24 H new ATOM 0 HE2 HIS A 4 17.184 23.017 22.564 1.00 74.41 H new ATOM 63 N HIS A 5 14.084 22.360 17.863 1.00 63.25 N ATOM 64 CA HIS A 5 13.217 23.539 17.818 1.00 60.42 C ATOM 65 C HIS A 5 12.044 23.267 16.866 1.00 61.42 C ATOM 66 O HIS A 5 12.085 23.639 15.685 1.00 14.44 O ATOM 67 CB HIS A 5 14.053 24.781 17.391 1.00 65.55 C ATOM 68 CG HIS A 5 13.277 26.079 17.324 1.00 70.14 C ATOM 69 ND1 HIS A 5 12.905 26.792 18.446 1.00 64.52 N ATOM 70 CD2 HIS A 5 12.798 26.781 16.264 1.00 1.41 C ATOM 71 CE1 HIS A 5 12.231 27.866 18.079 1.00 54.12 C ATOM 72 NE2 HIS A 5 12.151 27.882 16.764 1.00 13.41 N ATOM 0 H HIS A 5 14.820 22.367 17.157 1.00 63.25 H new ATOM 0 HA HIS A 5 12.801 23.750 18.803 1.00 60.42 H new ATOM 0 HB2 HIS A 5 14.878 24.904 18.092 1.00 65.55 H new ATOM 0 HB3 HIS A 5 14.492 24.586 16.413 1.00 65.55 H new ATOM 0 HD2 HIS A 5 12.907 26.520 15.222 1.00 1.41 H new ATOM 0 HE1 HIS A 5 11.815 28.607 18.745 1.00 54.12 H new ATOM 0 HE2 HIS A 5 11.683 28.598 16.208 1.00 13.41 H new ATOM 81 N HIS A 6 11.020 22.544 17.366 1.00 41.22 N ATOM 82 CA HIS A 6 9.797 22.298 16.589 1.00 14.42 C ATOM 83 C HIS A 6 8.765 23.407 16.864 1.00 11.14 C ATOM 84 O HIS A 6 8.328 23.598 18.002 1.00 41.14 O ATOM 85 CB HIS A 6 9.203 20.873 16.824 1.00 41.11 C ATOM 86 CG HIS A 6 8.723 20.508 18.222 1.00 11.22 C ATOM 87 ND1 HIS A 6 9.389 19.607 19.037 1.00 11.22 N ATOM 88 CD2 HIS A 6 7.585 20.839 18.900 1.00 21.21 C ATOM 89 CE1 HIS A 6 8.682 19.408 20.137 1.00 13.50 C ATOM 90 NE2 HIS A 6 7.590 20.143 20.081 1.00 24.35 N ATOM 0 H HIS A 6 11.019 22.126 18.296 1.00 41.22 H new ATOM 0 HA HIS A 6 10.066 22.329 15.533 1.00 14.42 H new ATOM 0 HB2 HIS A 6 8.362 20.747 16.142 1.00 41.11 H new ATOM 0 HB3 HIS A 6 9.961 20.146 16.533 1.00 41.11 H new ATOM 0 HD2 HIS A 6 6.820 21.525 18.566 1.00 21.21 H new ATOM 0 HE1 HIS A 6 8.955 18.750 20.949 1.00 13.50 H new ATOM 0 HE2 HIS A 6 6.867 20.187 20.799 1.00 24.35 H new ATOM 99 N HIS A 7 8.465 24.173 15.812 1.00 73.34 N ATOM 100 CA HIS A 7 7.389 25.184 15.781 1.00 10.12 C ATOM 101 C HIS A 7 7.322 25.696 14.329 1.00 53.44 C ATOM 102 O HIS A 7 7.038 26.868 14.065 1.00 4.25 O ATOM 103 CB HIS A 7 7.643 26.352 16.809 1.00 43.43 C ATOM 104 CG HIS A 7 6.395 26.802 17.535 1.00 10.24 C ATOM 105 ND1 HIS A 7 6.233 26.670 18.896 1.00 72.43 N ATOM 106 CD2 HIS A 7 5.246 27.358 17.081 1.00 52.24 C ATOM 107 CE1 HIS A 7 5.047 27.119 19.244 1.00 21.32 C ATOM 108 NE2 HIS A 7 4.421 27.541 18.164 1.00 52.32 N ATOM 0 H HIS A 7 8.974 24.110 14.931 1.00 73.34 H new ATOM 0 HA HIS A 7 6.437 24.747 16.084 1.00 10.12 H new ATOM 0 HB2 HIS A 7 8.382 26.026 17.541 1.00 43.43 H new ATOM 0 HB3 HIS A 7 8.072 27.203 16.280 1.00 43.43 H new ATOM 0 HD2 HIS A 7 5.020 27.611 16.056 1.00 52.24 H new ATOM 0 HE1 HIS A 7 4.651 27.139 20.249 1.00 21.32 H new ATOM 0 HE2 HIS A 7 3.481 27.937 18.137 1.00 52.32 H new ATOM 117 N HIS A 8 7.558 24.747 13.404 1.00 5.52 N ATOM 118 CA HIS A 8 7.885 25.012 11.995 1.00 33.34 C ATOM 119 C HIS A 8 6.588 25.169 11.167 1.00 0.02 C ATOM 120 O HIS A 8 6.106 26.295 10.962 1.00 32.00 O ATOM 121 CB HIS A 8 8.788 23.846 11.472 1.00 70.11 C ATOM 122 CG HIS A 8 9.455 24.061 10.123 1.00 10.53 C ATOM 123 ND1 HIS A 8 10.828 24.166 9.975 1.00 20.20 N ATOM 124 CD2 HIS A 8 8.947 24.148 8.863 1.00 71.23 C ATOM 125 CE1 HIS A 8 11.126 24.312 8.700 1.00 22.30 C ATOM 126 NE2 HIS A 8 10.009 24.302 8.007 1.00 0.33 N ATOM 0 H HIS A 8 7.525 23.751 13.623 1.00 5.52 H new ATOM 0 HA HIS A 8 8.435 25.948 11.894 1.00 33.34 H new ATOM 0 HB2 HIS A 8 9.566 23.658 12.212 1.00 70.11 H new ATOM 0 HB3 HIS A 8 8.180 22.943 11.413 1.00 70.11 H new ATOM 0 HD2 HIS A 8 7.903 24.104 8.588 1.00 71.23 H new ATOM 0 HE1 HIS A 8 12.120 24.421 8.293 1.00 22.30 H new ATOM 0 HE2 HIS A 8 9.942 24.394 6.993 1.00 0.33 H new ATOM 135 N SER A 9 6.004 24.029 10.741 1.00 15.11 N ATOM 136 CA SER A 9 4.782 24.010 9.933 1.00 1.52 C ATOM 137 C SER A 9 3.570 24.104 10.874 1.00 20.02 C ATOM 138 O SER A 9 3.058 23.095 11.373 1.00 24.42 O ATOM 139 CB SER A 9 4.733 22.738 9.045 1.00 31.44 C ATOM 140 OG SER A 9 5.890 22.645 8.221 1.00 71.23 O ATOM 0 H SER A 9 6.371 23.101 10.951 1.00 15.11 H new ATOM 0 HA SER A 9 4.766 24.864 9.256 1.00 1.52 H new ATOM 0 HB2 SER A 9 4.660 21.852 9.676 1.00 31.44 H new ATOM 0 HB3 SER A 9 3.839 22.760 8.422 1.00 31.44 H new ATOM 0 HG SER A 9 5.837 21.835 7.672 1.00 71.23 H new ATOM 146 N HIS A 10 3.174 25.356 11.166 1.00 2.32 N ATOM 147 CA HIS A 10 1.989 25.680 11.994 1.00 1.52 C ATOM 148 C HIS A 10 0.712 25.768 11.122 1.00 43.34 C ATOM 149 O HIS A 10 -0.309 26.330 11.532 1.00 23.42 O ATOM 150 CB HIS A 10 2.257 26.988 12.790 1.00 52.20 C ATOM 151 CG HIS A 10 2.596 28.192 11.937 1.00 11.31 C ATOM 152 ND1 HIS A 10 3.851 28.409 11.393 1.00 43.13 N ATOM 153 CD2 HIS A 10 1.834 29.235 11.522 1.00 62.25 C ATOM 154 CE1 HIS A 10 3.837 29.525 10.687 1.00 71.14 C ATOM 155 NE2 HIS A 10 2.626 30.045 10.751 1.00 40.22 N ATOM 0 H HIS A 10 3.670 26.182 10.832 1.00 2.32 H new ATOM 0 HA HIS A 10 1.815 24.879 12.713 1.00 1.52 H new ATOM 0 HB2 HIS A 10 1.375 27.220 13.387 1.00 52.20 H new ATOM 0 HB3 HIS A 10 3.077 26.811 13.487 1.00 52.20 H new ATOM 0 HD1 HIS A 10 4.661 27.801 11.518 1.00 43.13 H new ATOM 0 HD2 HIS A 10 0.792 29.397 11.757 1.00 62.25 H new ATOM 0 HE1 HIS A 10 4.675 29.942 10.148 1.00 71.14 H new ATOM 164 N MET A 11 0.816 25.220 9.900 1.00 72.32 N ATOM 165 CA MET A 11 -0.320 24.942 9.010 1.00 50.03 C ATOM 166 C MET A 11 -0.602 23.421 9.085 1.00 40.01 C ATOM 167 O MET A 11 0.290 22.636 8.737 1.00 32.11 O ATOM 168 CB MET A 11 0.025 25.362 7.543 1.00 23.30 C ATOM 169 CG MET A 11 0.369 26.851 7.373 1.00 2.42 C ATOM 170 SD MET A 11 0.912 27.290 5.698 1.00 2.11 S ATOM 171 CE MET A 11 -0.487 26.816 4.665 1.00 10.51 C ATOM 0 H MET A 11 1.713 24.952 9.496 1.00 72.32 H new ATOM 0 HA MET A 11 -1.198 25.510 9.317 1.00 50.03 H new ATOM 0 HB2 MET A 11 0.868 24.765 7.196 1.00 23.30 H new ATOM 0 HB3 MET A 11 -0.822 25.122 6.900 1.00 23.30 H new ATOM 0 HG2 MET A 11 -0.506 27.448 7.629 1.00 2.42 H new ATOM 0 HG3 MET A 11 1.154 27.116 8.081 1.00 2.42 H new ATOM 0 HE1 MET A 11 -0.331 27.184 3.651 1.00 10.51 H new ATOM 0 HE2 MET A 11 -0.575 25.730 4.648 1.00 10.51 H new ATOM 0 HE3 MET A 11 -1.402 27.248 5.071 1.00 10.51 H new ATOM 181 N PRO A 12 -1.810 22.976 9.584 1.00 23.14 N ATOM 182 CA PRO A 12 -2.207 21.538 9.579 1.00 34.31 C ATOM 183 C PRO A 12 -2.263 20.974 8.136 1.00 3.13 C ATOM 184 O PRO A 12 -3.289 21.056 7.445 1.00 20.33 O ATOM 185 CB PRO A 12 -3.597 21.543 10.291 1.00 52.20 C ATOM 186 CG PRO A 12 -4.093 22.955 10.176 1.00 43.24 C ATOM 187 CD PRO A 12 -2.857 23.823 10.216 1.00 35.31 C ATOM 0 HA PRO A 12 -1.495 20.887 10.087 1.00 34.31 H new ATOM 0 HB2 PRO A 12 -4.285 20.844 9.816 1.00 52.20 H new ATOM 0 HB3 PRO A 12 -3.506 21.241 11.334 1.00 52.20 H new ATOM 0 HG2 PRO A 12 -4.646 23.102 9.248 1.00 43.24 H new ATOM 0 HG3 PRO A 12 -4.771 23.200 10.993 1.00 43.24 H new ATOM 0 HD2 PRO A 12 -3.004 24.754 9.668 1.00 35.31 H new ATOM 0 HD3 PRO A 12 -2.590 24.093 11.238 1.00 35.31 H new ATOM 195 N LYS A 13 -1.108 20.453 7.683 1.00 51.14 N ATOM 196 CA LYS A 13 -0.887 20.034 6.292 1.00 11.35 C ATOM 197 C LYS A 13 -0.960 18.502 6.189 1.00 13.14 C ATOM 198 O LYS A 13 -0.327 17.785 6.987 1.00 61.04 O ATOM 199 CB LYS A 13 0.497 20.572 5.817 1.00 41.11 C ATOM 200 CG LYS A 13 0.767 20.456 4.301 1.00 1.34 C ATOM 201 CD LYS A 13 -0.231 21.276 3.447 1.00 33.15 C ATOM 202 CE LYS A 13 0.094 21.236 1.941 1.00 54.22 C ATOM 203 NZ LYS A 13 -0.921 21.975 1.142 1.00 34.45 N ATOM 0 H LYS A 13 -0.294 20.311 8.282 1.00 51.14 H new ATOM 0 HA LYS A 13 -1.662 20.446 5.646 1.00 11.35 H new ATOM 0 HB2 LYS A 13 0.579 21.620 6.104 1.00 41.11 H new ATOM 0 HB3 LYS A 13 1.280 20.033 6.351 1.00 41.11 H new ATOM 0 HG2 LYS A 13 1.781 20.795 4.091 1.00 1.34 H new ATOM 0 HG3 LYS A 13 0.714 19.408 4.007 1.00 1.34 H new ATOM 0 HD2 LYS A 13 -1.239 20.892 3.606 1.00 33.15 H new ATOM 0 HD3 LYS A 13 -0.227 22.312 3.787 1.00 33.15 H new ATOM 0 HE2 LYS A 13 1.079 21.669 1.769 1.00 54.22 H new ATOM 0 HE3 LYS A 13 0.139 20.200 1.605 1.00 54.22 H new ATOM 0 HZ1 LYS A 13 -0.671 21.927 0.134 1.00 34.45 H new ATOM 0 HZ2 LYS A 13 -1.857 21.546 1.287 1.00 34.45 H new ATOM 0 HZ3 LYS A 13 -0.945 22.969 1.446 1.00 34.45 H new ATOM 217 N ALA A 14 -1.743 18.014 5.206 1.00 31.20 N ATOM 218 CA ALA A 14 -1.897 16.571 4.934 1.00 4.45 C ATOM 219 C ALA A 14 -0.589 15.955 4.403 1.00 3.50 C ATOM 220 O ALA A 14 -0.412 14.747 4.492 1.00 32.12 O ATOM 221 CB ALA A 14 -3.056 16.314 3.954 1.00 71.33 C ATOM 0 H ALA A 14 -2.286 18.608 4.579 1.00 31.20 H new ATOM 0 HA ALA A 14 -2.135 16.084 5.880 1.00 4.45 H new ATOM 0 HB1 ALA A 14 -3.147 15.243 3.771 1.00 71.33 H new ATOM 0 HB2 ALA A 14 -3.985 16.689 4.383 1.00 71.33 H new ATOM 0 HB3 ALA A 14 -2.857 16.827 3.013 1.00 71.33 H new ATOM 227 N THR A 15 0.313 16.797 3.842 1.00 54.21 N ATOM 228 CA THR A 15 1.663 16.357 3.426 1.00 51.21 C ATOM 229 C THR A 15 2.427 15.773 4.632 1.00 41.04 C ATOM 230 O THR A 15 2.794 14.597 4.621 1.00 72.41 O ATOM 231 CB THR A 15 2.489 17.529 2.790 1.00 74.31 C ATOM 232 OG1 THR A 15 1.717 18.155 1.750 1.00 50.01 O ATOM 233 CG2 THR A 15 3.851 17.046 2.224 1.00 34.01 C ATOM 0 H THR A 15 0.128 17.785 3.668 1.00 54.21 H new ATOM 0 HA THR A 15 1.536 15.587 2.665 1.00 51.21 H new ATOM 0 HB THR A 15 2.704 18.250 3.579 1.00 74.31 H new ATOM 0 HG1 THR A 15 2.234 18.888 1.355 1.00 50.01 H new ATOM 0 HG21 THR A 15 4.387 17.892 1.794 1.00 34.01 H new ATOM 0 HG22 THR A 15 4.445 16.610 3.027 1.00 34.01 H new ATOM 0 HG23 THR A 15 3.679 16.296 1.452 1.00 34.01 H new ATOM 241 N ALA A 16 2.577 16.595 5.691 1.00 1.31 N ATOM 242 CA ALA A 16 3.304 16.216 6.918 1.00 22.53 C ATOM 243 C ALA A 16 2.691 14.957 7.567 1.00 72.41 C ATOM 244 O ALA A 16 3.361 13.914 7.667 1.00 52.24 O ATOM 245 CB ALA A 16 3.312 17.390 7.912 1.00 4.21 C ATOM 0 H ALA A 16 2.197 17.541 5.718 1.00 1.31 H new ATOM 0 HA ALA A 16 4.332 15.979 6.645 1.00 22.53 H new ATOM 0 HB1 ALA A 16 3.851 17.100 8.814 1.00 4.21 H new ATOM 0 HB2 ALA A 16 3.804 18.249 7.456 1.00 4.21 H new ATOM 0 HB3 ALA A 16 2.287 17.654 8.171 1.00 4.21 H new ATOM 251 N GLN A 17 1.386 15.062 7.913 1.00 70.45 N ATOM 252 CA GLN A 17 0.633 14.014 8.636 1.00 23.21 C ATOM 253 C GLN A 17 0.699 12.655 7.894 1.00 22.11 C ATOM 254 O GLN A 17 1.198 11.661 8.445 1.00 0.13 O ATOM 255 CB GLN A 17 -0.854 14.458 8.821 1.00 41.13 C ATOM 256 CG GLN A 17 -1.695 13.524 9.721 1.00 25.43 C ATOM 257 CD GLN A 17 -3.183 13.894 9.767 1.00 71.10 C ATOM 258 OE1 GLN A 17 -3.979 13.407 8.966 1.00 41.50 O ATOM 259 NE2 GLN A 17 -3.561 14.776 10.682 1.00 43.02 N ATOM 0 H GLN A 17 0.823 15.884 7.695 1.00 70.45 H new ATOM 0 HA GLN A 17 1.094 13.881 9.615 1.00 23.21 H new ATOM 0 HB2 GLN A 17 -0.870 15.462 9.246 1.00 41.13 H new ATOM 0 HB3 GLN A 17 -1.326 14.519 7.841 1.00 41.13 H new ATOM 0 HG2 GLN A 17 -1.595 12.500 9.362 1.00 25.43 H new ATOM 0 HG3 GLN A 17 -1.291 13.548 10.733 1.00 25.43 H new ATOM 0 HE21 GLN A 17 -2.876 15.162 11.332 1.00 43.02 H new ATOM 0 HE22 GLN A 17 -4.537 15.069 10.736 1.00 43.02 H new ATOM 268 N MET A 18 0.262 12.659 6.614 1.00 52.13 N ATOM 269 CA MET A 18 0.149 11.430 5.787 1.00 74.15 C ATOM 270 C MET A 18 1.525 10.798 5.509 1.00 71.13 C ATOM 271 O MET A 18 1.675 9.585 5.637 1.00 72.42 O ATOM 272 CB MET A 18 -0.537 11.731 4.425 1.00 70.20 C ATOM 273 CG MET A 18 -0.693 10.523 3.482 1.00 52.25 C ATOM 274 SD MET A 18 -1.077 11.015 1.786 1.00 23.13 S ATOM 275 CE MET A 18 0.498 11.710 1.273 1.00 74.51 C ATOM 0 H MET A 18 -0.021 13.508 6.125 1.00 52.13 H new ATOM 0 HA MET A 18 -0.458 10.729 6.361 1.00 74.15 H new ATOM 0 HB2 MET A 18 -1.525 12.148 4.620 1.00 70.20 H new ATOM 0 HB3 MET A 18 0.038 12.500 3.910 1.00 70.20 H new ATOM 0 HG2 MET A 18 0.228 9.940 3.488 1.00 52.25 H new ATOM 0 HG3 MET A 18 -1.484 9.873 3.857 1.00 52.25 H new ATOM 0 HE1 MET A 18 0.556 11.715 0.185 1.00 74.51 H new ATOM 0 HE2 MET A 18 0.584 12.731 1.645 1.00 74.51 H new ATOM 0 HE3 MET A 18 1.311 11.107 1.677 1.00 74.51 H new ATOM 285 N GLU A 19 2.513 11.638 5.096 1.00 13.45 N ATOM 286 CA GLU A 19 3.879 11.167 4.724 1.00 34.33 C ATOM 287 C GLU A 19 4.583 10.550 5.944 1.00 44.31 C ATOM 288 O GLU A 19 5.324 9.582 5.795 1.00 3.53 O ATOM 289 CB GLU A 19 4.698 12.344 4.099 1.00 51.02 C ATOM 290 CG GLU A 19 6.011 11.988 3.333 1.00 44.12 C ATOM 291 CD GLU A 19 7.291 11.923 4.192 1.00 14.22 C ATOM 292 OE1 GLU A 19 7.370 12.601 5.243 1.00 53.12 O ATOM 293 OE2 GLU A 19 8.258 11.246 3.783 1.00 14.33 O ATOM 0 H GLU A 19 2.390 12.647 5.012 1.00 13.45 H new ATOM 0 HA GLU A 19 3.802 10.384 3.969 1.00 34.33 H new ATOM 0 HB2 GLU A 19 4.044 12.880 3.412 1.00 51.02 H new ATOM 0 HB3 GLU A 19 4.955 13.037 4.900 1.00 51.02 H new ATOM 0 HG2 GLU A 19 5.874 11.023 2.844 1.00 44.12 H new ATOM 0 HG3 GLU A 19 6.162 12.726 2.545 1.00 44.12 H new ATOM 300 N GLU A 20 4.315 11.098 7.149 1.00 20.14 N ATOM 301 CA GLU A 20 4.823 10.522 8.415 1.00 40.11 C ATOM 302 C GLU A 20 4.164 9.177 8.737 1.00 74.04 C ATOM 303 O GLU A 20 4.866 8.202 9.069 1.00 14.43 O ATOM 304 CB GLU A 20 4.643 11.511 9.580 1.00 71.11 C ATOM 305 CG GLU A 20 5.651 12.665 9.567 1.00 54.33 C ATOM 306 CD GLU A 20 5.414 13.663 10.700 1.00 14.32 C ATOM 307 OE1 GLU A 20 5.465 13.255 11.882 1.00 33.20 O ATOM 308 OE2 GLU A 20 5.187 14.856 10.423 1.00 43.45 O ATOM 0 H GLU A 20 3.750 11.938 7.273 1.00 20.14 H new ATOM 0 HA GLU A 20 5.889 10.338 8.281 1.00 40.11 H new ATOM 0 HB2 GLU A 20 3.634 11.921 9.545 1.00 71.11 H new ATOM 0 HB3 GLU A 20 4.735 10.970 10.522 1.00 71.11 H new ATOM 0 HG2 GLU A 20 6.661 12.262 9.648 1.00 54.33 H new ATOM 0 HG3 GLU A 20 5.591 13.185 8.611 1.00 54.33 H new ATOM 315 N LYS A 21 2.822 9.125 8.631 1.00 75.04 N ATOM 316 CA LYS A 21 2.057 7.875 8.831 1.00 33.33 C ATOM 317 C LYS A 21 2.594 6.766 7.895 1.00 13.14 C ATOM 318 O LYS A 21 2.876 5.653 8.333 1.00 5.23 O ATOM 319 CB LYS A 21 0.542 8.112 8.558 1.00 41.22 C ATOM 320 CG LYS A 21 -0.196 9.091 9.526 1.00 41.32 C ATOM 321 CD LYS A 21 -1.145 8.394 10.541 1.00 45.25 C ATOM 322 CE LYS A 21 -0.417 7.479 11.538 1.00 23.32 C ATOM 323 NZ LYS A 21 0.620 8.203 12.330 1.00 43.11 N ATOM 0 H LYS A 21 2.243 9.935 8.408 1.00 75.04 H new ATOM 0 HA LYS A 21 2.180 7.558 9.867 1.00 33.33 H new ATOM 0 HB2 LYS A 21 0.434 8.491 7.542 1.00 41.22 H new ATOM 0 HB3 LYS A 21 0.034 7.148 8.595 1.00 41.22 H new ATOM 0 HG2 LYS A 21 0.547 9.667 10.078 1.00 41.32 H new ATOM 0 HG3 LYS A 21 -0.774 9.801 8.935 1.00 41.32 H new ATOM 0 HD2 LYS A 21 -1.694 9.156 11.094 1.00 45.25 H new ATOM 0 HD3 LYS A 21 -1.881 7.806 9.992 1.00 45.25 H new ATOM 0 HE2 LYS A 21 -1.145 7.037 12.218 1.00 23.32 H new ATOM 0 HE3 LYS A 21 0.053 6.658 10.996 1.00 23.32 H new ATOM 0 HZ1 LYS A 21 0.997 7.573 13.066 1.00 43.11 H new ATOM 0 HZ2 LYS A 21 1.392 8.501 11.700 1.00 43.11 H new ATOM 0 HZ3 LYS A 21 0.194 9.040 12.776 1.00 43.11 H new ATOM 337 N LEU A 22 2.809 7.157 6.627 1.00 11.13 N ATOM 338 CA LEU A 22 3.202 6.263 5.524 1.00 4.24 C ATOM 339 C LEU A 22 4.647 5.748 5.731 1.00 73.24 C ATOM 340 O LEU A 22 4.893 4.540 5.634 1.00 0.13 O ATOM 341 CB LEU A 22 3.050 7.035 4.163 1.00 75.12 C ATOM 342 CG LEU A 22 2.732 6.199 2.872 1.00 4.55 C ATOM 343 CD1 LEU A 22 2.462 7.131 1.665 1.00 71.31 C ATOM 344 CD2 LEU A 22 3.830 5.162 2.543 1.00 32.13 C ATOM 0 H LEU A 22 2.712 8.129 6.333 1.00 11.13 H new ATOM 0 HA LEU A 22 2.551 5.389 5.505 1.00 4.24 H new ATOM 0 HB2 LEU A 22 2.259 7.774 4.285 1.00 75.12 H new ATOM 0 HB3 LEU A 22 3.975 7.584 3.986 1.00 75.12 H new ATOM 0 HG LEU A 22 1.826 5.631 3.081 1.00 4.55 H new ATOM 0 HD11 LEU A 22 2.244 6.530 0.782 1.00 71.31 H new ATOM 0 HD12 LEU A 22 1.610 7.774 1.885 1.00 71.31 H new ATOM 0 HD13 LEU A 22 3.342 7.746 1.477 1.00 71.31 H new ATOM 0 HD21 LEU A 22 3.555 4.615 1.641 1.00 32.13 H new ATOM 0 HD22 LEU A 22 4.778 5.675 2.382 1.00 32.13 H new ATOM 0 HD23 LEU A 22 3.932 4.464 3.374 1.00 32.13 H new ATOM 356 N ARG A 23 5.591 6.665 6.025 1.00 73.43 N ATOM 357 CA ARG A 23 7.018 6.304 6.173 1.00 32.00 C ATOM 358 C ARG A 23 7.225 5.407 7.401 1.00 14.02 C ATOM 359 O ARG A 23 7.932 4.409 7.311 1.00 14.43 O ATOM 360 CB ARG A 23 7.940 7.562 6.231 1.00 41.42 C ATOM 361 CG ARG A 23 7.722 8.493 7.438 1.00 62.50 C ATOM 362 CD ARG A 23 8.361 9.888 7.263 1.00 40.44 C ATOM 363 NE ARG A 23 9.820 9.911 7.498 1.00 54.11 N ATOM 364 CZ ARG A 23 10.719 10.623 6.788 1.00 1.12 C ATOM 365 NH1 ARG A 23 10.325 11.358 5.749 1.00 41.24 N ATOM 366 NH2 ARG A 23 11.991 10.633 7.166 1.00 71.34 N ATOM 0 H ARG A 23 5.394 7.656 6.164 1.00 73.43 H new ATOM 0 HA ARG A 23 7.306 5.743 5.284 1.00 32.00 H new ATOM 0 HB2 ARG A 23 8.978 7.229 6.235 1.00 41.42 H new ATOM 0 HB3 ARG A 23 7.794 8.140 5.318 1.00 41.42 H new ATOM 0 HG2 ARG A 23 6.652 8.611 7.607 1.00 62.50 H new ATOM 0 HG3 ARG A 23 8.136 8.022 8.330 1.00 62.50 H new ATOM 0 HD2 ARG A 23 8.160 10.245 6.253 1.00 40.44 H new ATOM 0 HD3 ARG A 23 7.881 10.586 7.949 1.00 40.44 H new ATOM 0 HE ARG A 23 10.178 9.339 8.263 1.00 54.11 H new ATOM 0 HH11 ARG A 23 9.340 11.384 5.487 1.00 41.24 H new ATOM 0 HH12 ARG A 23 11.009 11.895 5.215 1.00 41.24 H new ATOM 0 HH21 ARG A 23 12.283 10.105 7.988 1.00 71.34 H new ATOM 0 HH22 ARG A 23 12.677 11.169 6.634 1.00 71.34 H new ATOM 380 N ASP A 24 6.551 5.743 8.526 1.00 63.32 N ATOM 381 CA ASP A 24 6.659 4.968 9.787 1.00 74.34 C ATOM 382 C ASP A 24 6.033 3.566 9.633 1.00 74.45 C ATOM 383 O ASP A 24 6.571 2.569 10.146 1.00 44.51 O ATOM 384 CB ASP A 24 6.006 5.743 10.961 1.00 61.31 C ATOM 385 CG ASP A 24 6.065 4.977 12.296 1.00 64.13 C ATOM 386 OD1 ASP A 24 7.185 4.646 12.748 1.00 52.22 O ATOM 387 OD2 ASP A 24 5.001 4.697 12.896 1.00 20.31 O ATOM 0 H ASP A 24 5.926 6.547 8.587 1.00 63.32 H new ATOM 0 HA ASP A 24 7.717 4.835 10.013 1.00 74.34 H new ATOM 0 HB2 ASP A 24 6.507 6.704 11.078 1.00 61.31 H new ATOM 0 HB3 ASP A 24 4.965 5.954 10.715 1.00 61.31 H new ATOM 392 N PHE A 25 4.892 3.532 8.919 1.00 33.40 N ATOM 393 CA PHE A 25 4.219 2.300 8.459 1.00 70.05 C ATOM 394 C PHE A 25 5.229 1.377 7.741 1.00 12.33 C ATOM 395 O PHE A 25 5.548 0.293 8.238 1.00 20.51 O ATOM 396 CB PHE A 25 3.039 2.735 7.526 1.00 14.25 C ATOM 397 CG PHE A 25 2.274 1.660 6.734 1.00 45.42 C ATOM 398 CD1 PHE A 25 2.711 1.252 5.467 1.00 14.31 C ATOM 399 CD2 PHE A 25 1.090 1.110 7.224 1.00 33.12 C ATOM 400 CE1 PHE A 25 2.001 0.319 4.736 1.00 74.20 C ATOM 401 CE2 PHE A 25 0.376 0.187 6.486 1.00 43.52 C ATOM 402 CZ PHE A 25 0.834 -0.209 5.243 1.00 72.43 C ATOM 0 H PHE A 25 4.400 4.380 8.639 1.00 33.40 H new ATOM 0 HA PHE A 25 3.822 1.725 9.296 1.00 70.05 H new ATOM 0 HB2 PHE A 25 2.314 3.268 8.141 1.00 14.25 H new ATOM 0 HB3 PHE A 25 3.436 3.452 6.807 1.00 14.25 H new ATOM 0 HD1 PHE A 25 3.616 1.673 5.056 1.00 14.31 H new ATOM 0 HD2 PHE A 25 0.726 1.411 8.195 1.00 33.12 H new ATOM 0 HE1 PHE A 25 2.361 0.004 3.768 1.00 74.20 H new ATOM 0 HE2 PHE A 25 -0.541 -0.226 6.880 1.00 43.52 H new ATOM 0 HZ PHE A 25 0.276 -0.934 4.669 1.00 72.43 H new ATOM 412 N THR A 26 5.796 1.882 6.629 1.00 11.05 N ATOM 413 CA THR A 26 6.619 1.083 5.694 1.00 54.54 C ATOM 414 C THR A 26 8.020 0.735 6.282 1.00 3.04 C ATOM 415 O THR A 26 8.602 -0.307 5.959 1.00 42.12 O ATOM 416 CB THR A 26 6.777 1.848 4.331 1.00 23.35 C ATOM 417 OG1 THR A 26 5.506 2.363 3.900 1.00 3.45 O ATOM 418 CG2 THR A 26 7.333 0.942 3.220 1.00 75.22 C ATOM 0 H THR A 26 5.697 2.858 6.351 1.00 11.05 H new ATOM 0 HA THR A 26 6.099 0.140 5.528 1.00 54.54 H new ATOM 0 HB THR A 26 7.482 2.660 4.506 1.00 23.35 H new ATOM 0 HG1 THR A 26 5.264 3.137 4.449 1.00 3.45 H new ATOM 0 HG21 THR A 26 7.425 1.514 2.296 1.00 75.22 H new ATOM 0 HG22 THR A 26 8.313 0.566 3.513 1.00 75.22 H new ATOM 0 HG23 THR A 26 6.655 0.103 3.061 1.00 75.22 H new ATOM 426 N ARG A 27 8.514 1.612 7.173 1.00 44.34 N ATOM 427 CA ARG A 27 9.865 1.531 7.802 1.00 64.41 C ATOM 428 C ARG A 27 10.103 0.215 8.582 1.00 30.13 C ATOM 429 O ARG A 27 11.227 -0.309 8.617 1.00 54.13 O ATOM 430 CB ARG A 27 10.013 2.738 8.768 1.00 63.42 C ATOM 431 CG ARG A 27 11.326 2.823 9.579 1.00 32.13 C ATOM 432 CD ARG A 27 11.226 3.859 10.719 1.00 64.31 C ATOM 433 NE ARG A 27 10.113 3.545 11.654 1.00 10.31 N ATOM 434 CZ ARG A 27 10.169 2.642 12.654 1.00 71.23 C ATOM 435 NH1 ARG A 27 11.273 1.940 12.888 1.00 64.31 N ATOM 436 NH2 ARG A 27 9.096 2.422 13.403 1.00 72.32 N ATOM 0 H ARG A 27 7.980 2.421 7.491 1.00 44.34 H new ATOM 0 HA ARG A 27 10.608 1.552 7.005 1.00 64.41 H new ATOM 0 HB2 ARG A 27 9.913 3.654 8.185 1.00 63.42 H new ATOM 0 HB3 ARG A 27 9.180 2.715 9.471 1.00 63.42 H new ATOM 0 HG2 ARG A 27 11.560 1.844 9.997 1.00 32.13 H new ATOM 0 HG3 ARG A 27 12.148 3.091 8.915 1.00 32.13 H new ATOM 0 HD2 ARG A 27 12.166 3.886 11.269 1.00 64.31 H new ATOM 0 HD3 ARG A 27 11.076 4.852 10.296 1.00 64.31 H new ATOM 0 HE ARG A 27 9.237 4.053 11.529 1.00 10.31 H new ATOM 0 HH11 ARG A 27 12.099 2.079 12.306 1.00 64.31 H new ATOM 0 HH12 ARG A 27 11.294 1.262 13.650 1.00 64.31 H new ATOM 0 HH21 ARG A 27 8.233 2.935 13.221 1.00 72.32 H new ATOM 0 HH22 ARG A 27 9.134 1.740 14.160 1.00 72.32 H new ATOM 450 N ALA A 28 9.024 -0.311 9.183 1.00 34.10 N ATOM 451 CA ALA A 28 9.082 -1.412 10.169 1.00 53.32 C ATOM 452 C ALA A 28 9.542 -2.773 9.570 1.00 71.43 C ATOM 453 O ALA A 28 9.941 -3.665 10.332 1.00 33.12 O ATOM 454 CB ALA A 28 7.698 -1.566 10.836 1.00 72.51 C ATOM 0 H ALA A 28 8.076 0.016 8.999 1.00 34.10 H new ATOM 0 HA ALA A 28 9.840 -1.140 10.903 1.00 53.32 H new ATOM 0 HB1 ALA A 28 7.733 -2.376 11.564 1.00 72.51 H new ATOM 0 HB2 ALA A 28 7.431 -0.637 11.339 1.00 72.51 H new ATOM 0 HB3 ALA A 28 6.951 -1.794 10.076 1.00 72.51 H new ATOM 460 N TYR A 29 9.479 -2.934 8.228 1.00 3.23 N ATOM 461 CA TYR A 29 9.650 -4.261 7.570 1.00 65.04 C ATOM 462 C TYR A 29 10.223 -4.180 6.136 1.00 21.03 C ATOM 463 O TYR A 29 10.447 -3.093 5.591 1.00 35.32 O ATOM 464 CB TYR A 29 8.285 -5.025 7.591 1.00 74.41 C ATOM 465 CG TYR A 29 7.036 -4.132 7.457 1.00 3.03 C ATOM 466 CD1 TYR A 29 6.899 -3.243 6.395 1.00 32.52 C ATOM 467 CD2 TYR A 29 6.013 -4.162 8.417 1.00 15.52 C ATOM 468 CE1 TYR A 29 5.800 -2.424 6.290 1.00 24.25 C ATOM 469 CE2 TYR A 29 4.910 -3.344 8.302 1.00 13.51 C ATOM 470 CZ TYR A 29 4.815 -2.479 7.240 1.00 21.42 C ATOM 471 OH TYR A 29 3.738 -1.637 7.141 1.00 23.23 O ATOM 0 H TYR A 29 9.312 -2.167 7.577 1.00 3.23 H new ATOM 0 HA TYR A 29 10.397 -4.811 8.142 1.00 65.04 H new ATOM 0 HB2 TYR A 29 8.281 -5.753 6.780 1.00 74.41 H new ATOM 0 HB3 TYR A 29 8.214 -5.586 8.523 1.00 74.41 H new ATOM 0 HD1 TYR A 29 7.670 -3.196 5.640 1.00 32.52 H new ATOM 0 HD2 TYR A 29 6.091 -4.836 9.258 1.00 15.52 H new ATOM 0 HE1 TYR A 29 5.713 -1.738 5.460 1.00 24.25 H new ATOM 0 HE2 TYR A 29 4.125 -3.383 9.043 1.00 13.51 H new ATOM 0 HH TYR A 29 3.940 -0.793 7.596 1.00 23.23 H new ATOM 481 N GLU A 30 10.461 -5.385 5.558 1.00 74.44 N ATOM 482 CA GLU A 30 11.066 -5.576 4.224 1.00 53.41 C ATOM 483 C GLU A 30 10.000 -6.066 3.203 1.00 11.50 C ATOM 484 O GLU A 30 8.947 -6.567 3.611 1.00 23.15 O ATOM 485 CB GLU A 30 12.221 -6.624 4.301 1.00 31.03 C ATOM 486 CG GLU A 30 13.394 -6.280 5.254 1.00 71.51 C ATOM 487 CD GLU A 30 13.112 -6.582 6.739 1.00 74.40 C ATOM 488 OE1 GLU A 30 13.072 -7.777 7.109 1.00 5.13 O ATOM 489 OE2 GLU A 30 12.928 -5.640 7.539 1.00 15.43 O ATOM 0 H GLU A 30 10.232 -6.265 6.019 1.00 74.44 H new ATOM 0 HA GLU A 30 11.464 -4.617 3.893 1.00 53.41 H new ATOM 0 HB2 GLU A 30 11.797 -7.579 4.610 1.00 31.03 H new ATOM 0 HB3 GLU A 30 12.624 -6.764 3.298 1.00 31.03 H new ATOM 0 HG2 GLU A 30 14.276 -6.839 4.942 1.00 71.51 H new ATOM 0 HG3 GLU A 30 13.634 -5.222 5.149 1.00 71.51 H new ATOM 496 N PRO A 31 10.261 -5.927 1.849 1.00 73.45 N ATOM 497 CA PRO A 31 9.383 -6.499 0.785 1.00 63.13 C ATOM 498 C PRO A 31 9.340 -8.042 0.795 1.00 65.21 C ATOM 499 O PRO A 31 8.277 -8.649 0.611 1.00 45.53 O ATOM 500 CB PRO A 31 10.006 -5.964 -0.544 1.00 41.21 C ATOM 501 CG PRO A 31 10.892 -4.823 -0.139 1.00 22.22 C ATOM 502 CD PRO A 31 11.393 -5.159 1.244 1.00 60.22 C ATOM 0 HA PRO A 31 8.344 -6.202 0.928 1.00 63.13 H new ATOM 0 HB2 PRO A 31 10.576 -6.742 -1.052 1.00 41.21 H new ATOM 0 HB3 PRO A 31 9.231 -5.633 -1.236 1.00 41.21 H new ATOM 0 HG2 PRO A 31 11.721 -4.706 -0.837 1.00 22.22 H new ATOM 0 HG3 PRO A 31 10.341 -3.882 -0.137 1.00 22.22 H new ATOM 0 HD2 PRO A 31 12.306 -5.753 1.207 1.00 60.22 H new ATOM 0 HD3 PRO A 31 11.620 -4.261 1.818 1.00 60.22 H new ATOM 510 N ASP A 32 10.515 -8.653 1.004 1.00 11.21 N ATOM 511 CA ASP A 32 10.711 -10.115 0.887 1.00 51.53 C ATOM 512 C ASP A 32 10.492 -10.841 2.224 1.00 14.11 C ATOM 513 O ASP A 32 10.350 -12.070 2.248 1.00 50.32 O ATOM 514 CB ASP A 32 12.138 -10.403 0.347 1.00 35.13 C ATOM 515 CG ASP A 32 12.382 -9.812 -1.054 1.00 60.44 C ATOM 516 OD1 ASP A 32 12.552 -8.575 -1.171 1.00 53.30 O ATOM 517 OD2 ASP A 32 12.373 -10.572 -2.049 1.00 70.30 O ATOM 0 H ASP A 32 11.364 -8.149 1.261 1.00 11.21 H new ATOM 0 HA ASP A 32 9.965 -10.498 0.191 1.00 51.53 H new ATOM 0 HB2 ASP A 32 12.872 -9.994 1.041 1.00 35.13 H new ATOM 0 HB3 ASP A 32 12.297 -11.481 0.313 1.00 35.13 H new ATOM 522 N SER A 33 10.456 -10.077 3.331 1.00 34.01 N ATOM 523 CA SER A 33 10.395 -10.641 4.698 1.00 74.34 C ATOM 524 C SER A 33 9.154 -10.127 5.467 1.00 71.13 C ATOM 525 O SER A 33 8.424 -9.273 4.965 1.00 22.21 O ATOM 526 CB SER A 33 11.711 -10.329 5.444 1.00 21.43 C ATOM 527 OG SER A 33 11.772 -10.997 6.697 1.00 22.34 O ATOM 0 H SER A 33 10.468 -9.057 3.307 1.00 34.01 H new ATOM 0 HA SER A 33 10.287 -11.724 4.632 1.00 74.34 H new ATOM 0 HB2 SER A 33 12.559 -10.630 4.829 1.00 21.43 H new ATOM 0 HB3 SER A 33 11.796 -9.254 5.600 1.00 21.43 H new ATOM 0 HG SER A 33 12.617 -10.780 7.143 1.00 22.34 H new ATOM 533 N VAL A 34 8.976 -10.641 6.714 1.00 1.22 N ATOM 534 CA VAL A 34 7.708 -10.577 7.487 1.00 61.13 C ATOM 535 C VAL A 34 6.645 -11.329 6.678 1.00 53.03 C ATOM 536 O VAL A 34 5.629 -10.766 6.223 1.00 33.34 O ATOM 537 CB VAL A 34 7.255 -9.118 7.897 1.00 71.42 C ATOM 538 CG1 VAL A 34 6.012 -9.126 8.840 1.00 55.31 C ATOM 539 CG2 VAL A 34 8.439 -8.356 8.525 1.00 52.43 C ATOM 0 H VAL A 34 9.723 -11.119 7.217 1.00 1.22 H new ATOM 0 HA VAL A 34 7.864 -11.054 8.455 1.00 61.13 H new ATOM 0 HB VAL A 34 6.945 -8.597 6.991 1.00 71.42 H new ATOM 0 HG11 VAL A 34 5.740 -8.101 9.093 1.00 55.31 H new ATOM 0 HG12 VAL A 34 5.175 -9.609 8.335 1.00 55.31 H new ATOM 0 HG13 VAL A 34 6.251 -9.673 9.752 1.00 55.31 H new ATOM 0 HG21 VAL A 34 8.119 -7.352 8.804 1.00 52.43 H new ATOM 0 HG22 VAL A 34 8.784 -8.887 9.412 1.00 52.43 H new ATOM 0 HG23 VAL A 34 9.253 -8.289 7.803 1.00 52.43 H new ATOM 549 N LEU A 35 6.992 -12.614 6.451 1.00 12.33 N ATOM 550 CA LEU A 35 6.265 -13.564 5.616 1.00 33.12 C ATOM 551 C LEU A 35 6.286 -13.166 4.113 1.00 25.22 C ATOM 552 O LEU A 35 5.754 -12.120 3.736 1.00 13.12 O ATOM 553 CB LEU A 35 4.806 -13.816 6.151 1.00 44.34 C ATOM 554 CG LEU A 35 4.606 -15.093 7.030 1.00 62.02 C ATOM 555 CD1 LEU A 35 4.770 -16.377 6.175 1.00 41.34 C ATOM 556 CD2 LEU A 35 5.550 -15.092 8.264 1.00 32.13 C ATOM 0 H LEU A 35 7.827 -13.025 6.869 1.00 12.33 H new ATOM 0 HA LEU A 35 6.793 -14.515 5.685 1.00 33.12 H new ATOM 0 HB2 LEU A 35 4.500 -12.947 6.734 1.00 44.34 H new ATOM 0 HB3 LEU A 35 4.133 -13.880 5.296 1.00 44.34 H new ATOM 0 HG LEU A 35 3.587 -15.081 7.417 1.00 62.02 H new ATOM 0 HD11 LEU A 35 4.627 -17.255 6.805 1.00 41.34 H new ATOM 0 HD12 LEU A 35 4.028 -16.379 5.376 1.00 41.34 H new ATOM 0 HD13 LEU A 35 5.770 -16.400 5.742 1.00 41.34 H new ATOM 0 HD21 LEU A 35 5.382 -15.995 8.851 1.00 32.13 H new ATOM 0 HD22 LEU A 35 6.587 -15.064 7.929 1.00 32.13 H new ATOM 0 HD23 LEU A 35 5.344 -14.216 8.879 1.00 32.13 H new ATOM 568 N PRO A 36 6.888 -14.029 3.225 1.00 53.55 N ATOM 569 CA PRO A 36 6.551 -14.063 1.779 1.00 11.00 C ATOM 570 C PRO A 36 5.121 -14.617 1.559 1.00 3.45 C ATOM 571 O PRO A 36 4.625 -14.631 0.427 1.00 20.41 O ATOM 572 CB PRO A 36 7.643 -14.997 1.168 1.00 13.42 C ATOM 573 CG PRO A 36 8.708 -15.067 2.221 1.00 22.45 C ATOM 574 CD PRO A 36 7.967 -14.993 3.531 1.00 3.44 C ATOM 0 HA PRO A 36 6.548 -13.077 1.314 1.00 11.00 H new ATOM 0 HB2 PRO A 36 7.240 -15.985 0.944 1.00 13.42 H new ATOM 0 HB3 PRO A 36 8.034 -14.593 0.234 1.00 13.42 H new ATOM 0 HG2 PRO A 36 9.280 -15.992 2.143 1.00 22.45 H new ATOM 0 HG3 PRO A 36 9.416 -14.245 2.121 1.00 22.45 H new ATOM 0 HD2 PRO A 36 7.573 -15.964 3.831 1.00 3.44 H new ATOM 0 HD3 PRO A 36 8.607 -14.644 4.342 1.00 3.44 H new ATOM 582 N LEU A 37 4.500 -15.089 2.682 1.00 64.23 N ATOM 583 CA LEU A 37 3.084 -15.486 2.772 1.00 25.54 C ATOM 584 C LEU A 37 2.881 -16.809 1.993 1.00 63.53 C ATOM 585 O LEU A 37 2.967 -17.892 2.574 1.00 2.22 O ATOM 586 CB LEU A 37 2.154 -14.333 2.275 1.00 20.20 C ATOM 587 CG LEU A 37 2.390 -12.913 2.900 1.00 71.55 C ATOM 588 CD1 LEU A 37 1.903 -11.810 1.942 1.00 41.35 C ATOM 589 CD2 LEU A 37 1.753 -12.771 4.305 1.00 1.40 C ATOM 0 H LEU A 37 4.996 -15.202 3.566 1.00 64.23 H new ATOM 0 HA LEU A 37 2.808 -15.666 3.811 1.00 25.54 H new ATOM 0 HB2 LEU A 37 2.264 -14.251 1.194 1.00 20.20 H new ATOM 0 HB3 LEU A 37 1.121 -14.622 2.469 1.00 20.20 H new ATOM 0 HG LEU A 37 3.465 -12.794 3.039 1.00 71.55 H new ATOM 0 HD11 LEU A 37 2.076 -10.833 2.394 1.00 41.35 H new ATOM 0 HD12 LEU A 37 2.451 -11.877 1.002 1.00 41.35 H new ATOM 0 HD13 LEU A 37 0.838 -11.938 1.751 1.00 41.35 H new ATOM 0 HD21 LEU A 37 1.945 -11.770 4.692 1.00 1.40 H new ATOM 0 HD22 LEU A 37 0.677 -12.932 4.235 1.00 1.40 H new ATOM 0 HD23 LEU A 37 2.187 -13.510 4.978 1.00 1.40 H new ATOM 601 N ALA A 38 2.666 -16.691 0.668 1.00 24.34 N ATOM 602 CA ALA A 38 2.723 -17.814 -0.287 1.00 1.31 C ATOM 603 C ALA A 38 3.847 -17.505 -1.281 1.00 74.24 C ATOM 604 O ALA A 38 3.810 -16.453 -1.948 1.00 31.23 O ATOM 605 CB ALA A 38 1.382 -18.002 -1.022 1.00 14.24 C ATOM 0 H ALA A 38 2.445 -15.799 0.225 1.00 24.34 H new ATOM 0 HA ALA A 38 2.917 -18.746 0.243 1.00 1.31 H new ATOM 0 HB1 ALA A 38 1.462 -18.838 -1.717 1.00 14.24 H new ATOM 0 HB2 ALA A 38 0.595 -18.207 -0.296 1.00 14.24 H new ATOM 0 HB3 ALA A 38 1.139 -17.094 -1.573 1.00 14.24 H new ATOM 611 N ASP A 39 4.841 -18.413 -1.370 1.00 13.43 N ATOM 612 CA ASP A 39 6.075 -18.166 -2.133 1.00 52.14 C ATOM 613 C ASP A 39 5.764 -18.108 -3.638 1.00 53.21 C ATOM 614 O ASP A 39 5.304 -19.093 -4.230 1.00 73.45 O ATOM 615 CB ASP A 39 7.160 -19.229 -1.811 1.00 33.44 C ATOM 616 CG ASP A 39 8.579 -18.742 -2.172 1.00 51.02 C ATOM 617 OD1 ASP A 39 9.028 -18.933 -3.323 1.00 14.02 O ATOM 618 OD2 ASP A 39 9.246 -18.138 -1.298 1.00 11.22 O ATOM 0 H ASP A 39 4.809 -19.327 -0.919 1.00 13.43 H new ATOM 0 HA ASP A 39 6.481 -17.200 -1.833 1.00 52.14 H new ATOM 0 HB2 ASP A 39 7.121 -19.475 -0.750 1.00 33.44 H new ATOM 0 HB3 ASP A 39 6.942 -20.146 -2.359 1.00 33.44 H new ATOM 623 N GLY A 40 5.980 -16.922 -4.222 1.00 4.23 N ATOM 624 CA GLY A 40 5.642 -16.640 -5.612 1.00 35.32 C ATOM 625 C GLY A 40 4.552 -15.575 -5.737 1.00 21.44 C ATOM 626 O GLY A 40 4.854 -14.394 -5.938 1.00 3.34 O ATOM 0 H GLY A 40 6.398 -16.129 -3.734 1.00 4.23 H new ATOM 0 HA2 GLY A 40 6.535 -16.307 -6.141 1.00 35.32 H new ATOM 0 HA3 GLY A 40 5.308 -17.558 -6.096 1.00 35.32 H new ATOM 630 N VAL A 41 3.278 -15.995 -5.577 1.00 21.40 N ATOM 631 CA VAL A 41 2.093 -15.121 -5.788 1.00 43.02 C ATOM 632 C VAL A 41 1.972 -14.001 -4.713 1.00 2.14 C ATOM 633 O VAL A 41 1.954 -12.796 -5.031 1.00 35.35 O ATOM 634 CB VAL A 41 0.753 -15.971 -5.870 1.00 22.10 C ATOM 635 CG1 VAL A 41 0.719 -16.826 -7.155 1.00 43.13 C ATOM 636 CG2 VAL A 41 0.534 -16.874 -4.620 1.00 54.31 C ATOM 0 H VAL A 41 3.038 -16.946 -5.299 1.00 21.40 H new ATOM 0 HA VAL A 41 2.246 -14.626 -6.747 1.00 43.02 H new ATOM 0 HB VAL A 41 -0.065 -15.251 -5.896 1.00 22.10 H new ATOM 0 HG11 VAL A 41 -0.208 -17.398 -7.187 1.00 43.13 H new ATOM 0 HG12 VAL A 41 0.774 -16.174 -8.027 1.00 43.13 H new ATOM 0 HG13 VAL A 41 1.568 -17.510 -7.159 1.00 43.13 H new ATOM 0 HG21 VAL A 41 -0.396 -17.431 -4.732 1.00 54.31 H new ATOM 0 HG22 VAL A 41 1.366 -17.572 -4.525 1.00 54.31 H new ATOM 0 HG23 VAL A 41 0.479 -16.252 -3.727 1.00 54.31 H new ATOM 646 N LEU A 42 1.925 -14.402 -3.437 1.00 41.22 N ATOM 647 CA LEU A 42 1.743 -13.471 -2.305 1.00 33.15 C ATOM 648 C LEU A 42 3.082 -12.841 -1.903 1.00 52.41 C ATOM 649 O LEU A 42 3.098 -11.832 -1.207 1.00 33.31 O ATOM 650 CB LEU A 42 1.007 -14.154 -1.112 1.00 13.24 C ATOM 651 CG LEU A 42 -0.559 -14.020 -1.079 1.00 22.42 C ATOM 652 CD1 LEU A 42 -0.995 -12.576 -0.733 1.00 4.21 C ATOM 653 CD2 LEU A 42 -1.204 -14.491 -2.404 1.00 41.12 C ATOM 0 H LEU A 42 2.011 -15.378 -3.155 1.00 41.22 H new ATOM 0 HA LEU A 42 1.094 -12.657 -2.628 1.00 33.15 H new ATOM 0 HB2 LEU A 42 1.258 -15.215 -1.120 1.00 13.24 H new ATOM 0 HB3 LEU A 42 1.404 -13.740 -0.185 1.00 13.24 H new ATOM 0 HG LEU A 42 -0.919 -14.678 -0.288 1.00 22.42 H new ATOM 0 HD11 LEU A 42 -2.083 -12.518 -0.719 1.00 4.21 H new ATOM 0 HD12 LEU A 42 -0.604 -12.303 0.247 1.00 4.21 H new ATOM 0 HD13 LEU A 42 -0.605 -11.888 -1.484 1.00 4.21 H new ATOM 0 HD21 LEU A 42 -2.287 -14.382 -2.340 1.00 41.12 H new ATOM 0 HD22 LEU A 42 -0.826 -13.886 -3.228 1.00 41.12 H new ATOM 0 HD23 LEU A 42 -0.954 -15.537 -2.579 1.00 41.12 H new ATOM 665 N SER A 43 4.198 -13.479 -2.304 1.00 30.52 N ATOM 666 CA SER A 43 5.533 -12.855 -2.256 1.00 20.41 C ATOM 667 C SER A 43 5.559 -11.605 -3.155 1.00 2.22 C ATOM 668 O SER A 43 6.045 -10.546 -2.743 1.00 2.15 O ATOM 669 CB SER A 43 6.606 -13.858 -2.705 1.00 42.22 C ATOM 670 OG SER A 43 6.557 -15.026 -1.913 1.00 23.00 O ATOM 0 H SER A 43 4.200 -14.432 -2.667 1.00 30.52 H new ATOM 0 HA SER A 43 5.747 -12.556 -1.230 1.00 20.41 H new ATOM 0 HB2 SER A 43 6.454 -14.116 -3.753 1.00 42.22 H new ATOM 0 HB3 SER A 43 7.593 -13.402 -2.629 1.00 42.22 H new ATOM 0 HG SER A 43 5.950 -14.884 -1.157 1.00 23.00 H new ATOM 676 N PHE A 44 4.991 -11.748 -4.374 1.00 10.00 N ATOM 677 CA PHE A 44 4.795 -10.625 -5.307 1.00 44.43 C ATOM 678 C PHE A 44 3.892 -9.566 -4.660 1.00 11.41 C ATOM 679 O PHE A 44 4.252 -8.404 -4.633 1.00 74.44 O ATOM 680 CB PHE A 44 4.197 -11.114 -6.659 1.00 31.24 C ATOM 681 CG PHE A 44 3.763 -10.004 -7.638 1.00 10.41 C ATOM 682 CD1 PHE A 44 4.712 -9.240 -8.322 1.00 11.33 C ATOM 683 CD2 PHE A 44 2.409 -9.741 -7.886 1.00 34.32 C ATOM 684 CE1 PHE A 44 4.324 -8.259 -9.215 1.00 73.14 C ATOM 685 CE2 PHE A 44 2.025 -8.756 -8.779 1.00 0.02 C ATOM 686 CZ PHE A 44 2.984 -8.016 -9.444 1.00 2.23 C ATOM 0 H PHE A 44 4.658 -12.643 -4.733 1.00 10.00 H new ATOM 0 HA PHE A 44 5.766 -10.178 -5.523 1.00 44.43 H new ATOM 0 HB2 PHE A 44 4.936 -11.743 -7.156 1.00 31.24 H new ATOM 0 HB3 PHE A 44 3.333 -11.744 -6.447 1.00 31.24 H new ATOM 0 HD1 PHE A 44 5.763 -9.418 -8.151 1.00 11.33 H new ATOM 0 HD2 PHE A 44 1.653 -10.316 -7.372 1.00 34.32 H new ATOM 0 HE1 PHE A 44 5.072 -7.680 -9.736 1.00 73.14 H new ATOM 0 HE2 PHE A 44 0.977 -8.566 -8.956 1.00 0.02 H new ATOM 0 HZ PHE A 44 2.686 -7.248 -10.142 1.00 2.23 H new ATOM 696 N ILE A 45 2.737 -9.997 -4.109 1.00 74.30 N ATOM 697 CA ILE A 45 1.762 -9.068 -3.472 1.00 65.55 C ATOM 698 C ILE A 45 2.348 -8.374 -2.204 1.00 72.03 C ATOM 699 O ILE A 45 2.004 -7.223 -1.918 1.00 42.30 O ATOM 700 CB ILE A 45 0.398 -9.796 -3.153 1.00 73.53 C ATOM 701 CG1 ILE A 45 -0.228 -10.368 -4.470 1.00 52.20 C ATOM 702 CG2 ILE A 45 -0.610 -8.860 -2.430 1.00 4.14 C ATOM 703 CD1 ILE A 45 -1.547 -11.108 -4.298 1.00 45.41 C ATOM 0 H ILE A 45 2.452 -10.976 -4.089 1.00 74.30 H new ATOM 0 HA ILE A 45 1.557 -8.279 -4.196 1.00 65.55 H new ATOM 0 HB ILE A 45 0.615 -10.619 -2.472 1.00 73.53 H new ATOM 0 HG12 ILE A 45 -0.381 -9.544 -5.167 1.00 52.20 H new ATOM 0 HG13 ILE A 45 0.492 -11.045 -4.930 1.00 52.20 H new ATOM 0 HG21 ILE A 45 -1.533 -9.404 -2.231 1.00 4.14 H new ATOM 0 HG22 ILE A 45 -0.179 -8.519 -1.488 1.00 4.14 H new ATOM 0 HG23 ILE A 45 -0.825 -7.999 -3.063 1.00 4.14 H new ATOM 0 HD11 ILE A 45 -1.894 -11.463 -5.268 1.00 45.41 H new ATOM 0 HD12 ILE A 45 -1.403 -11.958 -3.631 1.00 45.41 H new ATOM 0 HD13 ILE A 45 -2.290 -10.434 -3.872 1.00 45.41 H new ATOM 715 N HIS A 46 3.270 -9.047 -1.484 1.00 63.54 N ATOM 716 CA HIS A 46 3.941 -8.448 -0.298 1.00 51.32 C ATOM 717 C HIS A 46 4.930 -7.371 -0.773 1.00 23.43 C ATOM 718 O HIS A 46 5.012 -6.269 -0.185 1.00 52.11 O ATOM 719 CB HIS A 46 4.675 -9.525 0.545 1.00 64.14 C ATOM 720 CG HIS A 46 5.014 -9.074 1.959 1.00 11.24 C ATOM 721 ND1 HIS A 46 6.031 -8.190 2.270 1.00 42.45 N ATOM 722 CD2 HIS A 46 4.470 -9.427 3.149 1.00 31.52 C ATOM 723 CE1 HIS A 46 6.070 -8.012 3.579 1.00 74.30 C ATOM 724 NE2 HIS A 46 5.140 -8.754 4.136 1.00 73.42 N ATOM 0 H HIS A 46 3.569 -9.999 -1.696 1.00 63.54 H new ATOM 0 HA HIS A 46 3.183 -7.997 0.343 1.00 51.32 H new ATOM 0 HB2 HIS A 46 4.052 -10.418 0.598 1.00 64.14 H new ATOM 0 HB3 HIS A 46 5.595 -9.808 0.034 1.00 64.14 H new ATOM 0 HD1 HIS A 46 6.653 -7.745 1.595 1.00 42.45 H new ATOM 0 HD2 HIS A 46 3.652 -10.117 3.294 1.00 31.52 H new ATOM 0 HE1 HIS A 46 6.754 -7.363 4.105 1.00 74.30 H new ATOM 733 N HIS A 47 5.659 -7.704 -1.872 1.00 43.44 N ATOM 734 CA HIS A 47 6.498 -6.740 -2.604 1.00 1.11 C ATOM 735 C HIS A 47 5.645 -5.532 -2.985 1.00 51.41 C ATOM 736 O HIS A 47 6.054 -4.420 -2.779 1.00 15.22 O ATOM 737 CB HIS A 47 7.118 -7.343 -3.905 1.00 12.12 C ATOM 738 CG HIS A 47 8.232 -8.344 -3.720 1.00 63.10 C ATOM 739 ND1 HIS A 47 9.050 -8.751 -4.759 1.00 25.22 N ATOM 740 CD2 HIS A 47 8.666 -9.017 -2.628 1.00 61.31 C ATOM 741 CE1 HIS A 47 9.920 -9.634 -4.310 1.00 34.03 C ATOM 742 NE2 HIS A 47 9.707 -9.809 -3.027 1.00 51.55 N ATOM 0 H HIS A 47 5.676 -8.644 -2.266 1.00 43.44 H new ATOM 0 HA HIS A 47 7.320 -6.459 -1.946 1.00 1.11 H new ATOM 0 HB2 HIS A 47 6.320 -7.822 -4.473 1.00 12.12 H new ATOM 0 HB3 HIS A 47 7.495 -6.522 -4.515 1.00 12.12 H new ATOM 0 HD2 HIS A 47 8.265 -8.942 -1.628 1.00 61.31 H new ATOM 0 HE1 HIS A 47 10.679 -10.129 -4.898 1.00 34.03 H new ATOM 0 HE2 HIS A 47 10.235 -10.438 -2.422 1.00 51.55 H new ATOM 751 N GLN A 48 4.428 -5.787 -3.491 1.00 34.23 N ATOM 752 CA GLN A 48 3.512 -4.723 -3.922 1.00 42.12 C ATOM 753 C GLN A 48 3.116 -3.809 -2.748 1.00 61.53 C ATOM 754 O GLN A 48 3.137 -2.603 -2.905 1.00 24.53 O ATOM 755 CB GLN A 48 2.251 -5.303 -4.590 1.00 13.30 C ATOM 756 CG GLN A 48 2.500 -6.122 -5.870 1.00 4.40 C ATOM 757 CD GLN A 48 3.166 -5.335 -7.002 1.00 21.04 C ATOM 758 OE1 GLN A 48 4.393 -5.277 -7.102 1.00 42.42 O ATOM 759 NE2 GLN A 48 2.362 -4.769 -7.890 1.00 2.22 N ATOM 0 H GLN A 48 4.055 -6.729 -3.612 1.00 34.23 H new ATOM 0 HA GLN A 48 4.047 -4.123 -4.658 1.00 42.12 H new ATOM 0 HB2 GLN A 48 1.736 -5.937 -3.868 1.00 13.30 H new ATOM 0 HB3 GLN A 48 1.577 -4.481 -4.830 1.00 13.30 H new ATOM 0 HG2 GLN A 48 3.126 -6.980 -5.623 1.00 4.40 H new ATOM 0 HG3 GLN A 48 1.548 -6.514 -6.227 1.00 4.40 H new ATOM 0 HE21 GLN A 48 1.350 -4.836 -7.778 1.00 2.22 H new ATOM 0 HE22 GLN A 48 2.755 -4.266 -8.686 1.00 2.22 H new ATOM 768 N ILE A 49 2.792 -4.393 -1.570 1.00 70.05 N ATOM 769 CA ILE A 49 2.482 -3.603 -0.346 1.00 11.32 C ATOM 770 C ILE A 49 3.639 -2.620 -0.073 1.00 51.33 C ATOM 771 O ILE A 49 3.455 -1.389 -0.098 1.00 15.32 O ATOM 772 CB ILE A 49 2.273 -4.521 0.935 1.00 24.31 C ATOM 773 CG1 ILE A 49 1.154 -5.586 0.701 1.00 2.35 C ATOM 774 CG2 ILE A 49 1.971 -3.677 2.212 1.00 44.24 C ATOM 775 CD1 ILE A 49 0.987 -6.602 1.825 1.00 14.53 C ATOM 0 H ILE A 49 2.738 -5.403 -1.438 1.00 70.05 H new ATOM 0 HA ILE A 49 1.548 -3.071 -0.528 1.00 11.32 H new ATOM 0 HB ILE A 49 3.213 -5.048 1.100 1.00 24.31 H new ATOM 0 HG12 ILE A 49 0.206 -5.069 0.555 1.00 2.35 H new ATOM 0 HG13 ILE A 49 1.370 -6.121 -0.223 1.00 2.35 H new ATOM 0 HG21 ILE A 49 1.835 -4.343 3.064 1.00 44.24 H new ATOM 0 HG22 ILE A 49 2.805 -3.003 2.408 1.00 44.24 H new ATOM 0 HG23 ILE A 49 1.062 -3.095 2.057 1.00 44.24 H new ATOM 0 HD11 ILE A 49 0.188 -7.298 1.570 1.00 14.53 H new ATOM 0 HD12 ILE A 49 1.918 -7.152 1.959 1.00 14.53 H new ATOM 0 HD13 ILE A 49 0.735 -6.083 2.750 1.00 14.53 H new ATOM 787 N ILE A 50 4.849 -3.188 0.069 1.00 44.34 N ATOM 788 CA ILE A 50 6.028 -2.423 0.526 1.00 50.05 C ATOM 789 C ILE A 50 6.558 -1.453 -0.561 1.00 10.14 C ATOM 790 O ILE A 50 6.971 -0.346 -0.243 1.00 62.30 O ATOM 791 CB ILE A 50 7.179 -3.380 1.006 1.00 61.03 C ATOM 792 CG1 ILE A 50 6.611 -4.496 1.946 1.00 35.35 C ATOM 793 CG2 ILE A 50 8.334 -2.598 1.696 1.00 15.52 C ATOM 794 CD1 ILE A 50 5.860 -4.022 3.179 1.00 52.53 C ATOM 0 H ILE A 50 5.039 -4.171 -0.125 1.00 44.34 H new ATOM 0 HA ILE A 50 5.696 -1.822 1.373 1.00 50.05 H new ATOM 0 HB ILE A 50 7.601 -3.857 0.122 1.00 61.03 H new ATOM 0 HG12 ILE A 50 5.943 -5.128 1.361 1.00 35.35 H new ATOM 0 HG13 ILE A 50 7.441 -5.124 2.271 1.00 35.35 H new ATOM 0 HG21 ILE A 50 9.108 -3.297 2.012 1.00 15.52 H new ATOM 0 HG22 ILE A 50 8.758 -1.880 0.994 1.00 15.52 H new ATOM 0 HG23 ILE A 50 7.946 -2.068 2.566 1.00 15.52 H new ATOM 0 HD11 ILE A 50 5.516 -4.885 3.749 1.00 52.53 H new ATOM 0 HD12 ILE A 50 6.523 -3.418 3.799 1.00 52.53 H new ATOM 0 HD13 ILE A 50 5.002 -3.423 2.874 1.00 52.53 H new ATOM 806 N GLU A 51 6.511 -1.861 -1.840 1.00 31.22 N ATOM 807 CA GLU A 51 7.101 -1.088 -2.960 1.00 75.23 C ATOM 808 C GLU A 51 6.157 0.020 -3.438 1.00 73.44 C ATOM 809 O GLU A 51 6.627 1.086 -3.827 1.00 55.12 O ATOM 810 CB GLU A 51 7.496 -2.006 -4.153 1.00 53.51 C ATOM 811 CG GLU A 51 8.612 -3.022 -3.838 1.00 43.14 C ATOM 812 CD GLU A 51 9.918 -2.355 -3.393 1.00 3.45 C ATOM 813 OE1 GLU A 51 10.710 -1.932 -4.266 1.00 51.10 O ATOM 814 OE2 GLU A 51 10.165 -2.246 -2.172 1.00 75.43 O ATOM 0 H GLU A 51 6.066 -2.731 -2.132 1.00 31.22 H new ATOM 0 HA GLU A 51 8.009 -0.625 -2.574 1.00 75.23 H new ATOM 0 HB2 GLU A 51 6.611 -2.549 -4.485 1.00 53.51 H new ATOM 0 HB3 GLU A 51 7.817 -1.380 -4.986 1.00 53.51 H new ATOM 0 HG2 GLU A 51 8.270 -3.698 -3.055 1.00 43.14 H new ATOM 0 HG3 GLU A 51 8.803 -3.630 -4.722 1.00 43.14 H new ATOM 821 N LEU A 52 4.831 -0.240 -3.428 1.00 61.01 N ATOM 822 CA LEU A 52 3.823 0.812 -3.694 1.00 3.31 C ATOM 823 C LEU A 52 3.847 1.822 -2.545 1.00 45.01 C ATOM 824 O LEU A 52 3.758 3.020 -2.782 1.00 1.22 O ATOM 825 CB LEU A 52 2.392 0.225 -3.866 1.00 54.11 C ATOM 826 CG LEU A 52 2.171 -0.734 -5.082 1.00 53.22 C ATOM 827 CD1 LEU A 52 0.782 -1.407 -4.990 1.00 71.11 C ATOM 828 CD2 LEU A 52 2.376 0.001 -6.428 1.00 44.04 C ATOM 0 H LEU A 52 4.435 -1.161 -3.240 1.00 61.01 H new ATOM 0 HA LEU A 52 4.079 1.302 -4.634 1.00 3.31 H new ATOM 0 HB2 LEU A 52 2.133 -0.314 -2.955 1.00 54.11 H new ATOM 0 HB3 LEU A 52 1.691 1.055 -3.955 1.00 54.11 H new ATOM 0 HG LEU A 52 2.924 -1.521 -5.042 1.00 53.22 H new ATOM 0 HD11 LEU A 52 0.642 -2.071 -5.843 1.00 71.11 H new ATOM 0 HD12 LEU A 52 0.717 -1.983 -4.067 1.00 71.11 H new ATOM 0 HD13 LEU A 52 0.006 -0.642 -4.995 1.00 71.11 H new ATOM 0 HD21 LEU A 52 2.215 -0.695 -7.251 1.00 44.04 H new ATOM 0 HD22 LEU A 52 1.666 0.824 -6.505 1.00 44.04 H new ATOM 0 HD23 LEU A 52 3.392 0.392 -6.478 1.00 44.04 H new ATOM 840 N ALA A 53 4.013 1.321 -1.300 1.00 55.24 N ATOM 841 CA ALA A 53 4.164 2.193 -0.124 1.00 42.45 C ATOM 842 C ALA A 53 5.387 3.134 -0.274 1.00 40.34 C ATOM 843 O ALA A 53 5.236 4.358 -0.224 1.00 42.33 O ATOM 844 CB ALA A 53 4.255 1.367 1.165 1.00 51.13 C ATOM 0 H ALA A 53 4.045 0.324 -1.089 1.00 55.24 H new ATOM 0 HA ALA A 53 3.274 2.819 -0.058 1.00 42.45 H new ATOM 0 HB1 ALA A 53 4.366 2.036 2.019 1.00 51.13 H new ATOM 0 HB2 ALA A 53 3.347 0.776 1.283 1.00 51.13 H new ATOM 0 HB3 ALA A 53 5.117 0.702 1.111 1.00 51.13 H new ATOM 850 N ARG A 54 6.583 2.549 -0.538 1.00 12.04 N ATOM 851 CA ARG A 54 7.844 3.319 -0.679 1.00 30.23 C ATOM 852 C ARG A 54 7.801 4.271 -1.891 1.00 50.32 C ATOM 853 O ARG A 54 8.247 5.424 -1.793 1.00 14.42 O ATOM 854 CB ARG A 54 9.096 2.393 -0.800 1.00 52.34 C ATOM 855 CG ARG A 54 9.390 1.525 0.445 1.00 23.01 C ATOM 856 CD ARG A 54 10.816 0.937 0.475 1.00 60.20 C ATOM 857 NE ARG A 54 11.176 0.188 -0.744 1.00 54.04 N ATOM 858 CZ ARG A 54 12.409 0.137 -1.280 1.00 13.10 C ATOM 859 NH1 ARG A 54 13.433 0.786 -0.718 1.00 65.43 N ATOM 860 NH2 ARG A 54 12.608 -0.559 -2.383 1.00 70.23 N ATOM 0 H ARG A 54 6.700 1.543 -0.658 1.00 12.04 H new ATOM 0 HA ARG A 54 7.934 3.906 0.235 1.00 30.23 H new ATOM 0 HB2 ARG A 54 8.961 1.736 -1.659 1.00 52.34 H new ATOM 0 HB3 ARG A 54 9.969 3.013 -1.007 1.00 52.34 H new ATOM 0 HG2 ARG A 54 9.237 2.128 1.340 1.00 23.01 H new ATOM 0 HG3 ARG A 54 8.670 0.708 0.484 1.00 23.01 H new ATOM 0 HD2 ARG A 54 11.531 1.748 0.617 1.00 60.20 H new ATOM 0 HD3 ARG A 54 10.909 0.276 1.337 1.00 60.20 H new ATOM 0 HE ARG A 54 10.435 -0.330 -1.216 1.00 54.04 H new ATOM 0 HH11 ARG A 54 13.287 1.331 0.131 1.00 65.43 H new ATOM 0 HH12 ARG A 54 14.361 0.736 -1.138 1.00 65.43 H new ATOM 0 HH21 ARG A 54 11.831 -1.052 -2.822 1.00 70.23 H new ATOM 0 HH22 ARG A 54 13.539 -0.604 -2.797 1.00 70.23 H new ATOM 874 N ASP A 55 7.253 3.788 -3.028 1.00 11.12 N ATOM 875 CA ASP A 55 7.220 4.571 -4.277 1.00 2.14 C ATOM 876 C ASP A 55 6.282 5.767 -4.113 1.00 22.35 C ATOM 877 O ASP A 55 6.719 6.894 -4.252 1.00 4.21 O ATOM 878 CB ASP A 55 6.814 3.719 -5.508 1.00 60.44 C ATOM 879 CG ASP A 55 7.070 4.452 -6.842 1.00 41.14 C ATOM 880 OD1 ASP A 55 8.260 4.679 -7.179 1.00 5.04 O ATOM 881 OD2 ASP A 55 6.102 4.806 -7.552 1.00 52.14 O ATOM 0 H ASP A 55 6.830 2.863 -3.104 1.00 11.12 H new ATOM 0 HA ASP A 55 8.233 4.925 -4.468 1.00 2.14 H new ATOM 0 HB2 ASP A 55 7.372 2.783 -5.498 1.00 60.44 H new ATOM 0 HB3 ASP A 55 5.757 3.461 -5.435 1.00 60.44 H new ATOM 886 N CYS A 56 5.020 5.503 -3.713 1.00 50.04 N ATOM 887 CA CYS A 56 4.012 6.564 -3.479 1.00 2.03 C ATOM 888 C CYS A 56 4.490 7.580 -2.417 1.00 41.50 C ATOM 889 O CYS A 56 4.217 8.777 -2.538 1.00 42.33 O ATOM 890 CB CYS A 56 2.660 5.955 -3.053 1.00 0.52 C ATOM 891 SG CYS A 56 1.987 4.773 -4.232 1.00 11.04 S ATOM 0 H CYS A 56 4.672 4.559 -3.544 1.00 50.04 H new ATOM 0 HA CYS A 56 3.880 7.095 -4.422 1.00 2.03 H new ATOM 0 HB2 CYS A 56 2.783 5.461 -2.089 1.00 0.52 H new ATOM 0 HB3 CYS A 56 1.939 6.760 -2.909 1.00 0.52 H new ATOM 0 HG CYS A 56 2.560 3.618 -4.064 1.00 11.04 H new ATOM 897 N LEU A 57 5.222 7.076 -1.397 1.00 23.30 N ATOM 898 CA LEU A 57 5.860 7.911 -0.357 1.00 14.12 C ATOM 899 C LEU A 57 6.840 8.923 -0.983 1.00 54.02 C ATOM 900 O LEU A 57 6.720 10.141 -0.782 1.00 10.34 O ATOM 901 CB LEU A 57 6.629 7.007 0.644 1.00 25.22 C ATOM 902 CG LEU A 57 7.321 7.728 1.839 1.00 74.30 C ATOM 903 CD1 LEU A 57 6.286 8.370 2.783 1.00 43.01 C ATOM 904 CD2 LEU A 57 8.268 6.770 2.595 1.00 24.12 C ATOM 0 H LEU A 57 5.386 6.077 -1.273 1.00 23.30 H new ATOM 0 HA LEU A 57 5.076 8.461 0.164 1.00 14.12 H new ATOM 0 HB2 LEU A 57 5.931 6.272 1.046 1.00 25.22 H new ATOM 0 HB3 LEU A 57 7.389 6.455 0.091 1.00 25.22 H new ATOM 0 HG LEU A 57 7.930 8.536 1.433 1.00 74.30 H new ATOM 0 HD11 LEU A 57 6.802 8.865 3.606 1.00 43.01 H new ATOM 0 HD12 LEU A 57 5.696 9.102 2.232 1.00 43.01 H new ATOM 0 HD13 LEU A 57 5.627 7.598 3.180 1.00 43.01 H new ATOM 0 HD21 LEU A 57 8.737 7.301 3.424 1.00 24.12 H new ATOM 0 HD22 LEU A 57 7.698 5.925 2.981 1.00 24.12 H new ATOM 0 HD23 LEU A 57 9.038 6.407 1.914 1.00 24.12 H new ATOM 916 N THR A 58 7.794 8.391 -1.764 1.00 24.03 N ATOM 917 CA THR A 58 8.856 9.190 -2.388 1.00 2.31 C ATOM 918 C THR A 58 8.296 10.076 -3.522 1.00 61.13 C ATOM 919 O THR A 58 8.839 11.146 -3.782 1.00 60.25 O ATOM 920 CB THR A 58 10.015 8.272 -2.906 1.00 21.34 C ATOM 921 OG1 THR A 58 9.498 7.294 -3.821 1.00 41.12 O ATOM 922 CG2 THR A 58 10.735 7.551 -1.744 1.00 63.42 C ATOM 0 H THR A 58 7.849 7.395 -1.979 1.00 24.03 H new ATOM 0 HA THR A 58 9.268 9.852 -1.626 1.00 2.31 H new ATOM 0 HB THR A 58 10.737 8.912 -3.413 1.00 21.34 H new ATOM 0 HG1 THR A 58 8.522 7.367 -3.861 1.00 41.12 H new ATOM 0 HG21 THR A 58 11.532 6.924 -2.143 1.00 63.42 H new ATOM 0 HG22 THR A 58 11.160 8.290 -1.065 1.00 63.42 H new ATOM 0 HG23 THR A 58 10.021 6.930 -1.203 1.00 63.42 H new ATOM 930 N LYS A 59 7.182 9.637 -4.155 1.00 4.41 N ATOM 931 CA LYS A 59 6.497 10.394 -5.227 1.00 45.33 C ATOM 932 C LYS A 59 5.585 11.483 -4.630 1.00 4.04 C ATOM 933 O LYS A 59 5.247 12.439 -5.316 1.00 14.02 O ATOM 934 CB LYS A 59 5.680 9.462 -6.179 1.00 21.31 C ATOM 935 CG LYS A 59 6.511 8.402 -6.946 1.00 22.42 C ATOM 936 CD LYS A 59 7.676 8.995 -7.766 1.00 61.14 C ATOM 937 CE LYS A 59 8.515 7.911 -8.464 1.00 55.04 C ATOM 938 NZ LYS A 59 9.710 8.486 -9.141 1.00 62.05 N ATOM 0 H LYS A 59 6.734 8.747 -3.936 1.00 4.41 H new ATOM 0 HA LYS A 59 7.273 10.871 -5.825 1.00 45.33 H new ATOM 0 HB2 LYS A 59 4.920 8.947 -5.591 1.00 21.31 H new ATOM 0 HB3 LYS A 59 5.155 10.083 -6.905 1.00 21.31 H new ATOM 0 HG2 LYS A 59 6.911 7.682 -6.232 1.00 22.42 H new ATOM 0 HG3 LYS A 59 5.850 7.852 -7.616 1.00 22.42 H new ATOM 0 HD2 LYS A 59 7.278 9.680 -8.514 1.00 61.14 H new ATOM 0 HD3 LYS A 59 8.319 9.580 -7.108 1.00 61.14 H new ATOM 0 HE2 LYS A 59 8.834 7.170 -7.731 1.00 55.04 H new ATOM 0 HE3 LYS A 59 7.898 7.390 -9.196 1.00 55.04 H new ATOM 0 HZ1 LYS A 59 10.249 7.724 -9.599 1.00 62.05 H new ATOM 0 HZ2 LYS A 59 9.405 9.174 -9.858 1.00 62.05 H new ATOM 0 HZ3 LYS A 59 10.312 8.962 -8.439 1.00 62.05 H new ATOM 952 N SER A 60 5.154 11.303 -3.367 1.00 40.11 N ATOM 953 CA SER A 60 4.406 12.339 -2.619 1.00 42.44 C ATOM 954 C SER A 60 5.361 13.474 -2.215 1.00 43.43 C ATOM 955 O SER A 60 5.054 14.662 -2.386 1.00 24.11 O ATOM 956 CB SER A 60 3.735 11.724 -1.366 1.00 42.01 C ATOM 957 OG SER A 60 2.994 12.692 -0.643 1.00 63.03 O ATOM 0 H SER A 60 5.311 10.445 -2.838 1.00 40.11 H new ATOM 0 HA SER A 60 3.623 12.744 -3.259 1.00 42.44 H new ATOM 0 HB2 SER A 60 3.075 10.911 -1.668 1.00 42.01 H new ATOM 0 HB3 SER A 60 4.498 11.291 -0.719 1.00 42.01 H new ATOM 0 HG SER A 60 2.990 12.457 0.308 1.00 63.03 H new ATOM 963 N ARG A 61 6.532 13.063 -1.699 1.00 15.21 N ATOM 964 CA ARG A 61 7.635 13.964 -1.316 1.00 61.52 C ATOM 965 C ARG A 61 8.204 14.688 -2.560 1.00 2.13 C ATOM 966 O ARG A 61 8.580 15.863 -2.489 1.00 44.35 O ATOM 967 CB ARG A 61 8.735 13.141 -0.579 1.00 71.41 C ATOM 968 CG ARG A 61 10.022 13.930 -0.231 1.00 1.52 C ATOM 969 CD ARG A 61 10.931 13.200 0.782 1.00 53.51 C ATOM 970 NE ARG A 61 10.308 13.145 2.123 1.00 0.43 N ATOM 971 CZ ARG A 61 10.717 13.845 3.200 1.00 62.15 C ATOM 972 NH1 ARG A 61 11.768 14.655 3.125 1.00 11.25 N ATOM 973 NH2 ARG A 61 10.050 13.745 4.339 1.00 73.20 N ATOM 0 H ARG A 61 6.743 12.079 -1.533 1.00 15.21 H new ATOM 0 HA ARG A 61 7.262 14.733 -0.639 1.00 61.52 H new ATOM 0 HB2 ARG A 61 8.312 12.741 0.343 1.00 71.41 H new ATOM 0 HB3 ARG A 61 9.007 12.288 -1.201 1.00 71.41 H new ATOM 0 HG2 ARG A 61 10.585 14.115 -1.146 1.00 1.52 H new ATOM 0 HG3 ARG A 61 9.745 14.903 0.175 1.00 1.52 H new ATOM 0 HD2 ARG A 61 11.131 12.188 0.430 1.00 53.51 H new ATOM 0 HD3 ARG A 61 11.892 13.711 0.846 1.00 53.51 H new ATOM 0 HE ARG A 61 9.505 12.528 2.242 1.00 0.43 H new ATOM 0 HH11 ARG A 61 12.275 14.752 2.245 1.00 11.25 H new ATOM 0 HH12 ARG A 61 12.068 15.179 3.947 1.00 11.25 H new ATOM 0 HH21 ARG A 61 9.231 13.140 4.399 1.00 73.20 H new ATOM 0 HH22 ARG A 61 10.355 14.273 5.157 1.00 73.20 H new ATOM 987 N ASP A 62 8.242 13.962 -3.693 1.00 63.31 N ATOM 988 CA ASP A 62 8.647 14.508 -5.013 1.00 50.35 C ATOM 989 C ASP A 62 7.544 15.442 -5.559 1.00 21.42 C ATOM 990 O ASP A 62 7.832 16.479 -6.161 1.00 4.30 O ATOM 991 CB ASP A 62 8.922 13.338 -6.011 1.00 32.12 C ATOM 992 CG ASP A 62 9.337 13.767 -7.438 1.00 13.30 C ATOM 993 OD1 ASP A 62 10.130 14.722 -7.583 1.00 51.42 O ATOM 994 OD2 ASP A 62 8.900 13.124 -8.415 1.00 34.43 O ATOM 0 H ASP A 62 7.992 12.974 -3.724 1.00 63.31 H new ATOM 0 HA ASP A 62 9.563 15.087 -4.896 1.00 50.35 H new ATOM 0 HB2 ASP A 62 9.708 12.707 -5.597 1.00 32.12 H new ATOM 0 HB3 ASP A 62 8.024 12.724 -6.081 1.00 32.12 H new ATOM 999 N GLY A 63 6.282 15.057 -5.293 1.00 22.14 N ATOM 1000 CA GLY A 63 5.092 15.771 -5.780 1.00 64.11 C ATOM 1001 C GLY A 63 4.555 15.204 -7.095 1.00 71.13 C ATOM 1002 O GLY A 63 3.629 15.770 -7.678 1.00 75.43 O ATOM 0 H GLY A 63 6.060 14.236 -4.730 1.00 22.14 H new ATOM 0 HA2 GLY A 63 4.310 15.722 -5.023 1.00 64.11 H new ATOM 0 HA3 GLY A 63 5.337 16.824 -5.917 1.00 64.11 H new ATOM 1006 N LEU A 64 5.127 14.060 -7.535 1.00 11.25 N ATOM 1007 CA LEU A 64 4.766 13.377 -8.803 1.00 13.54 C ATOM 1008 C LEU A 64 3.302 12.868 -8.797 1.00 43.42 C ATOM 1009 O LEU A 64 2.700 12.710 -9.872 1.00 63.50 O ATOM 1010 CB LEU A 64 5.780 12.214 -9.070 1.00 35.13 C ATOM 1011 CG LEU A 64 5.652 11.427 -10.439 1.00 45.42 C ATOM 1012 CD1 LEU A 64 7.040 11.028 -10.994 1.00 72.12 C ATOM 1013 CD2 LEU A 64 4.741 10.172 -10.325 1.00 10.33 C ATOM 0 H LEU A 64 5.861 13.578 -7.015 1.00 11.25 H new ATOM 0 HA LEU A 64 4.830 14.100 -9.616 1.00 13.54 H new ATOM 0 HB2 LEU A 64 6.787 12.627 -9.013 1.00 35.13 H new ATOM 0 HB3 LEU A 64 5.685 11.493 -8.258 1.00 35.13 H new ATOM 0 HG LEU A 64 5.178 12.115 -11.139 1.00 45.42 H new ATOM 0 HD11 LEU A 64 6.915 10.490 -11.934 1.00 72.12 H new ATOM 0 HD12 LEU A 64 7.635 11.925 -11.166 1.00 72.12 H new ATOM 0 HD13 LEU A 64 7.549 10.387 -10.274 1.00 72.12 H new ATOM 0 HD21 LEU A 64 4.689 9.671 -11.292 1.00 10.33 H new ATOM 0 HD22 LEU A 64 5.155 9.488 -9.584 1.00 10.33 H new ATOM 0 HD23 LEU A 64 3.740 10.476 -10.019 1.00 10.33 H new ATOM 1025 N ILE A 65 2.741 12.622 -7.583 1.00 42.52 N ATOM 1026 CA ILE A 65 1.348 12.146 -7.423 1.00 63.03 C ATOM 1027 C ILE A 65 0.344 13.113 -8.090 1.00 10.30 C ATOM 1028 O ILE A 65 0.128 14.233 -7.611 1.00 32.44 O ATOM 1029 CB ILE A 65 0.932 11.925 -5.909 1.00 61.11 C ATOM 1030 CG1 ILE A 65 1.821 10.818 -5.251 1.00 32.13 C ATOM 1031 CG2 ILE A 65 -0.581 11.573 -5.782 1.00 52.23 C ATOM 1032 CD1 ILE A 65 1.350 10.336 -3.883 1.00 42.24 C ATOM 0 H ILE A 65 3.237 12.747 -6.701 1.00 42.52 H new ATOM 0 HA ILE A 65 1.314 11.177 -7.921 1.00 63.03 H new ATOM 0 HB ILE A 65 1.097 12.861 -5.375 1.00 61.11 H new ATOM 0 HG12 ILE A 65 1.866 9.962 -5.925 1.00 32.13 H new ATOM 0 HG13 ILE A 65 2.837 11.200 -5.154 1.00 32.13 H new ATOM 0 HG21 ILE A 65 -0.834 11.428 -4.732 1.00 52.23 H new ATOM 0 HG22 ILE A 65 -1.180 12.387 -6.190 1.00 52.23 H new ATOM 0 HG23 ILE A 65 -0.789 10.657 -6.335 1.00 52.23 H new ATOM 0 HD11 ILE A 65 2.032 9.570 -3.512 1.00 42.24 H new ATOM 0 HD12 ILE A 65 1.334 11.175 -3.187 1.00 42.24 H new ATOM 0 HD13 ILE A 65 0.347 9.917 -3.970 1.00 42.24 H new ATOM 1044 N THR A 66 -0.209 12.669 -9.226 1.00 71.22 N ATOM 1045 CA THR A 66 -1.360 13.302 -9.878 1.00 20.31 C ATOM 1046 C THR A 66 -2.660 12.688 -9.311 1.00 74.02 C ATOM 1047 O THR A 66 -2.612 11.808 -8.432 1.00 25.11 O ATOM 1048 CB THR A 66 -1.297 13.084 -11.434 1.00 32.35 C ATOM 1049 OG1 THR A 66 -1.260 11.669 -11.730 1.00 1.54 O ATOM 1050 CG2 THR A 66 -0.074 13.785 -12.073 1.00 55.54 C ATOM 0 H THR A 66 0.136 11.849 -9.724 1.00 71.22 H new ATOM 0 HA THR A 66 -1.342 14.374 -9.681 1.00 20.31 H new ATOM 0 HB THR A 66 -2.193 13.531 -11.864 1.00 32.35 H new ATOM 0 HG1 THR A 66 -1.223 11.539 -12.701 1.00 1.54 H new ATOM 0 HG21 THR A 66 -0.073 13.606 -13.148 1.00 55.54 H new ATOM 0 HG22 THR A 66 -0.129 14.857 -11.883 1.00 55.54 H new ATOM 0 HG23 THR A 66 0.842 13.386 -11.638 1.00 55.54 H new ATOM 1058 N THR A 67 -3.816 13.143 -9.814 1.00 4.11 N ATOM 1059 CA THR A 67 -5.114 12.546 -9.459 1.00 13.34 C ATOM 1060 C THR A 67 -5.210 11.113 -10.054 1.00 2.24 C ATOM 1061 O THR A 67 -5.723 10.196 -9.401 1.00 62.30 O ATOM 1062 CB THR A 67 -6.309 13.461 -9.921 1.00 45.12 C ATOM 1063 OG1 THR A 67 -7.559 12.944 -9.428 1.00 72.45 O ATOM 1064 CG2 THR A 67 -6.375 13.622 -11.455 1.00 14.43 C ATOM 0 H THR A 67 -3.880 13.923 -10.468 1.00 4.11 H new ATOM 0 HA THR A 67 -5.186 12.469 -8.374 1.00 13.34 H new ATOM 0 HB THR A 67 -6.129 14.449 -9.498 1.00 45.12 H new ATOM 0 HG1 THR A 67 -7.687 12.030 -9.757 1.00 72.45 H new ATOM 0 HG21 THR A 67 -7.217 14.262 -11.718 1.00 14.43 H new ATOM 0 HG22 THR A 67 -5.450 14.074 -11.814 1.00 14.43 H new ATOM 0 HG23 THR A 67 -6.504 12.644 -11.918 1.00 14.43 H new ATOM 1072 N VAL A 68 -4.611 10.930 -11.261 1.00 23.44 N ATOM 1073 CA VAL A 68 -4.583 9.639 -11.996 1.00 54.43 C ATOM 1074 C VAL A 68 -3.852 8.563 -11.170 1.00 22.43 C ATOM 1075 O VAL A 68 -4.293 7.395 -11.094 1.00 43.01 O ATOM 1076 CB VAL A 68 -3.873 9.808 -13.401 1.00 73.54 C ATOM 1077 CG1 VAL A 68 -3.880 8.490 -14.226 1.00 72.44 C ATOM 1078 CG2 VAL A 68 -4.496 10.983 -14.199 1.00 24.12 C ATOM 0 H VAL A 68 -4.130 11.682 -11.754 1.00 23.44 H new ATOM 0 HA VAL A 68 -5.613 9.323 -12.159 1.00 54.43 H new ATOM 0 HB VAL A 68 -2.828 10.049 -13.208 1.00 73.54 H new ATOM 0 HG11 VAL A 68 -3.382 8.656 -15.181 1.00 72.44 H new ATOM 0 HG12 VAL A 68 -3.354 7.712 -13.673 1.00 72.44 H new ATOM 0 HG13 VAL A 68 -4.909 8.177 -14.403 1.00 72.44 H new ATOM 0 HG21 VAL A 68 -3.991 11.078 -15.160 1.00 24.12 H new ATOM 0 HG22 VAL A 68 -5.556 10.789 -14.364 1.00 24.12 H new ATOM 0 HG23 VAL A 68 -4.380 11.908 -13.635 1.00 24.12 H new ATOM 1088 N TYR A 69 -2.755 9.016 -10.523 1.00 53.11 N ATOM 1089 CA TYR A 69 -1.882 8.188 -9.679 1.00 14.23 C ATOM 1090 C TYR A 69 -2.712 7.428 -8.625 1.00 24.22 C ATOM 1091 O TYR A 69 -2.588 6.205 -8.494 1.00 31.21 O ATOM 1092 CB TYR A 69 -0.814 9.093 -8.993 1.00 2.05 C ATOM 1093 CG TYR A 69 0.385 8.334 -8.383 1.00 44.44 C ATOM 1094 CD1 TYR A 69 0.279 7.656 -7.162 1.00 32.43 C ATOM 1095 CD2 TYR A 69 1.620 8.288 -9.041 1.00 43.33 C ATOM 1096 CE1 TYR A 69 1.352 6.971 -6.630 1.00 13.45 C ATOM 1097 CE2 TYR A 69 2.692 7.601 -8.506 1.00 70.24 C ATOM 1098 CZ TYR A 69 2.554 6.946 -7.304 1.00 74.15 C ATOM 1099 OH TYR A 69 3.626 6.264 -6.777 1.00 53.40 O ATOM 0 H TYR A 69 -2.451 9.988 -10.578 1.00 53.11 H new ATOM 0 HA TYR A 69 -1.375 7.450 -10.301 1.00 14.23 H new ATOM 0 HB2 TYR A 69 -0.439 9.807 -9.726 1.00 2.05 H new ATOM 0 HB3 TYR A 69 -1.299 9.670 -8.206 1.00 2.05 H new ATOM 0 HD1 TYR A 69 -0.659 7.670 -6.627 1.00 32.43 H new ATOM 0 HD2 TYR A 69 1.737 8.800 -9.985 1.00 43.33 H new ATOM 0 HE1 TYR A 69 1.250 6.455 -5.687 1.00 13.45 H new ATOM 0 HE2 TYR A 69 3.636 7.578 -9.030 1.00 70.24 H new ATOM 0 HH TYR A 69 3.331 5.738 -6.004 1.00 53.40 H new ATOM 1109 N PHE A 70 -3.592 8.174 -7.924 1.00 43.25 N ATOM 1110 CA PHE A 70 -4.437 7.618 -6.854 1.00 23.14 C ATOM 1111 C PHE A 70 -5.426 6.578 -7.398 1.00 44.42 C ATOM 1112 O PHE A 70 -5.546 5.516 -6.809 1.00 24.31 O ATOM 1113 CB PHE A 70 -5.191 8.734 -6.065 1.00 22.21 C ATOM 1114 CG PHE A 70 -4.369 9.381 -4.940 1.00 44.41 C ATOM 1115 CD1 PHE A 70 -3.609 8.589 -4.070 1.00 21.53 C ATOM 1116 CD2 PHE A 70 -4.374 10.761 -4.734 1.00 11.52 C ATOM 1117 CE1 PHE A 70 -2.881 9.155 -3.038 1.00 33.23 C ATOM 1118 CE2 PHE A 70 -3.647 11.326 -3.696 1.00 22.20 C ATOM 1119 CZ PHE A 70 -2.900 10.522 -2.851 1.00 14.30 C ATOM 0 H PHE A 70 -3.734 9.171 -8.085 1.00 43.25 H new ATOM 0 HA PHE A 70 -3.767 7.115 -6.157 1.00 23.14 H new ATOM 0 HB2 PHE A 70 -5.501 9.510 -6.764 1.00 22.21 H new ATOM 0 HB3 PHE A 70 -6.099 8.309 -5.637 1.00 22.21 H new ATOM 0 HD1 PHE A 70 -3.591 7.518 -4.207 1.00 21.53 H new ATOM 0 HD2 PHE A 70 -4.950 11.397 -5.390 1.00 11.52 H new ATOM 0 HE1 PHE A 70 -2.299 8.527 -2.380 1.00 33.23 H new ATOM 0 HE2 PHE A 70 -3.664 12.395 -3.547 1.00 22.20 H new ATOM 0 HZ PHE A 70 -2.333 10.965 -2.046 1.00 14.30 H new ATOM 1129 N TYR A 71 -6.111 6.879 -8.525 1.00 40.24 N ATOM 1130 CA TYR A 71 -7.114 5.947 -9.113 1.00 71.41 C ATOM 1131 C TYR A 71 -6.470 4.596 -9.460 1.00 31.23 C ATOM 1132 O TYR A 71 -6.943 3.531 -9.009 1.00 70.03 O ATOM 1133 CB TYR A 71 -7.814 6.545 -10.365 1.00 41.25 C ATOM 1134 CG TYR A 71 -8.602 7.839 -10.090 1.00 1.22 C ATOM 1135 CD1 TYR A 71 -9.696 7.855 -9.215 1.00 71.43 C ATOM 1136 CD2 TYR A 71 -8.246 9.044 -10.696 1.00 54.02 C ATOM 1137 CE1 TYR A 71 -10.392 9.024 -8.957 1.00 73.13 C ATOM 1138 CE2 TYR A 71 -8.942 10.211 -10.443 1.00 72.14 C ATOM 1139 CZ TYR A 71 -10.012 10.197 -9.572 1.00 33.35 C ATOM 1140 OH TYR A 71 -10.696 11.364 -9.296 1.00 15.41 O ATOM 0 H TYR A 71 -5.993 7.749 -9.044 1.00 40.24 H new ATOM 0 HA TYR A 71 -7.880 5.791 -8.353 1.00 71.41 H new ATOM 0 HB2 TYR A 71 -7.061 6.746 -11.127 1.00 41.25 H new ATOM 0 HB3 TYR A 71 -8.494 5.800 -10.778 1.00 41.25 H new ATOM 0 HD1 TYR A 71 -10.002 6.938 -8.733 1.00 71.43 H new ATOM 0 HD2 TYR A 71 -7.408 9.065 -11.378 1.00 54.02 H new ATOM 0 HE1 TYR A 71 -11.230 9.016 -8.276 1.00 73.13 H new ATOM 0 HE2 TYR A 71 -8.649 11.132 -10.926 1.00 72.14 H new ATOM 0 HH TYR A 71 -10.304 12.102 -9.809 1.00 15.41 H new ATOM 1150 N GLU A 72 -5.351 4.664 -10.208 1.00 54.53 N ATOM 1151 CA GLU A 72 -4.580 3.468 -10.585 1.00 31.21 C ATOM 1152 C GLU A 72 -4.102 2.694 -9.336 1.00 0.23 C ATOM 1153 O GLU A 72 -4.218 1.467 -9.282 1.00 71.30 O ATOM 1154 CB GLU A 72 -3.367 3.857 -11.468 1.00 12.22 C ATOM 1155 CG GLU A 72 -3.733 4.398 -12.861 1.00 50.54 C ATOM 1156 CD GLU A 72 -4.432 3.349 -13.751 1.00 70.34 C ATOM 1157 OE1 GLU A 72 -3.728 2.478 -14.314 1.00 65.35 O ATOM 1158 OE2 GLU A 72 -5.675 3.390 -13.896 1.00 64.22 O ATOM 0 H GLU A 72 -4.962 5.538 -10.563 1.00 54.53 H new ATOM 0 HA GLU A 72 -5.239 2.816 -11.159 1.00 31.21 H new ATOM 0 HB2 GLU A 72 -2.780 4.611 -10.943 1.00 12.22 H new ATOM 0 HB3 GLU A 72 -2.728 2.982 -11.589 1.00 12.22 H new ATOM 0 HG2 GLU A 72 -4.386 5.264 -12.748 1.00 50.54 H new ATOM 0 HG3 GLU A 72 -2.828 4.744 -13.360 1.00 50.54 H new ATOM 1165 N LEU A 73 -3.605 3.442 -8.330 1.00 70.23 N ATOM 1166 CA LEU A 73 -3.029 2.864 -7.093 1.00 31.23 C ATOM 1167 C LEU A 73 -4.113 2.145 -6.260 1.00 10.33 C ATOM 1168 O LEU A 73 -3.864 1.058 -5.732 1.00 75.40 O ATOM 1169 CB LEU A 73 -2.312 3.975 -6.242 1.00 75.11 C ATOM 1170 CG LEU A 73 -0.965 3.571 -5.543 1.00 11.21 C ATOM 1171 CD1 LEU A 73 -1.152 2.491 -4.445 1.00 12.11 C ATOM 1172 CD2 LEU A 73 0.088 3.132 -6.598 1.00 4.12 C ATOM 0 H LEU A 73 -3.590 4.462 -8.349 1.00 70.23 H new ATOM 0 HA LEU A 73 -2.284 2.123 -7.382 1.00 31.23 H new ATOM 0 HB2 LEU A 73 -2.115 4.827 -6.892 1.00 75.11 H new ATOM 0 HB3 LEU A 73 -3.006 4.315 -5.473 1.00 75.11 H new ATOM 0 HG LEU A 73 -0.595 4.459 -5.031 1.00 11.21 H new ATOM 0 HD11 LEU A 73 -0.186 2.254 -3.999 1.00 12.11 H new ATOM 0 HD12 LEU A 73 -1.824 2.868 -3.674 1.00 12.11 H new ATOM 0 HD13 LEU A 73 -1.577 1.591 -4.889 1.00 12.11 H new ATOM 0 HD21 LEU A 73 1.014 2.856 -6.094 1.00 4.12 H new ATOM 0 HD22 LEU A 73 -0.291 2.276 -7.156 1.00 4.12 H new ATOM 0 HD23 LEU A 73 0.280 3.956 -7.285 1.00 4.12 H new ATOM 1184 N GLN A 74 -5.317 2.752 -6.172 1.00 1.13 N ATOM 1185 CA GLN A 74 -6.424 2.209 -5.354 1.00 14.40 C ATOM 1186 C GLN A 74 -6.961 0.933 -5.988 1.00 44.33 C ATOM 1187 O GLN A 74 -7.101 -0.093 -5.318 1.00 55.41 O ATOM 1188 CB GLN A 74 -7.595 3.218 -5.176 1.00 3.15 C ATOM 1189 CG GLN A 74 -7.230 4.510 -4.430 1.00 31.32 C ATOM 1190 CD GLN A 74 -8.445 5.369 -4.074 1.00 44.01 C ATOM 1191 OE1 GLN A 74 -9.031 5.219 -3.004 1.00 21.12 O ATOM 1192 NE2 GLN A 74 -8.851 6.244 -4.980 1.00 63.24 N ATOM 0 H GLN A 74 -5.547 3.619 -6.658 1.00 1.13 H new ATOM 0 HA GLN A 74 -6.011 2.004 -4.366 1.00 14.40 H new ATOM 0 HB2 GLN A 74 -7.981 3.481 -6.161 1.00 3.15 H new ATOM 0 HB3 GLN A 74 -8.404 2.722 -4.639 1.00 3.15 H new ATOM 0 HG2 GLN A 74 -6.695 4.254 -3.516 1.00 31.32 H new ATOM 0 HG3 GLN A 74 -6.548 5.096 -5.046 1.00 31.32 H new ATOM 0 HE21 GLN A 74 -8.341 6.343 -5.858 1.00 63.24 H new ATOM 0 HE22 GLN A 74 -9.674 6.819 -4.800 1.00 63.24 H new ATOM 1201 N GLU A 75 -7.241 1.013 -7.296 1.00 64.35 N ATOM 1202 CA GLU A 75 -7.774 -0.118 -8.066 1.00 12.35 C ATOM 1203 C GLU A 75 -6.727 -1.243 -8.220 1.00 24.41 C ATOM 1204 O GLU A 75 -7.099 -2.403 -8.404 1.00 4.04 O ATOM 1205 CB GLU A 75 -8.298 0.391 -9.430 1.00 63.12 C ATOM 1206 CG GLU A 75 -9.509 1.348 -9.288 1.00 52.44 C ATOM 1207 CD GLU A 75 -10.039 1.895 -10.622 1.00 53.31 C ATOM 1208 OE1 GLU A 75 -10.786 1.171 -11.319 1.00 23.21 O ATOM 1209 OE2 GLU A 75 -9.728 3.058 -10.970 1.00 64.42 O ATOM 0 H GLU A 75 -7.105 1.860 -7.848 1.00 64.35 H new ATOM 0 HA GLU A 75 -8.609 -0.559 -7.522 1.00 12.35 H new ATOM 0 HB2 GLU A 75 -7.493 0.906 -9.954 1.00 63.12 H new ATOM 0 HB3 GLU A 75 -8.585 -0.462 -10.045 1.00 63.12 H new ATOM 0 HG2 GLU A 75 -10.316 0.822 -8.778 1.00 52.44 H new ATOM 0 HG3 GLU A 75 -9.223 2.186 -8.652 1.00 52.44 H new ATOM 1216 N ASN A 76 -5.422 -0.897 -8.119 1.00 23.24 N ATOM 1217 CA ASN A 76 -4.335 -1.890 -8.082 1.00 0.41 C ATOM 1218 C ASN A 76 -4.281 -2.588 -6.706 1.00 33.42 C ATOM 1219 O ASN A 76 -4.104 -3.803 -6.641 1.00 64.22 O ATOM 1220 CB ASN A 76 -2.987 -1.212 -8.426 1.00 5.31 C ATOM 1221 CG ASN A 76 -1.808 -2.176 -8.407 1.00 34.41 C ATOM 1222 OD1 ASN A 76 -1.497 -2.828 -9.399 1.00 72.23 O ATOM 1223 ND2 ASN A 76 -1.146 -2.267 -7.277 1.00 54.53 N ATOM 0 H ASN A 76 -5.101 0.069 -8.062 1.00 23.24 H new ATOM 0 HA ASN A 76 -4.530 -2.658 -8.831 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -3.059 -0.756 -9.413 1.00 5.31 H new ATOM 0 HB3 ASN A 76 -2.801 -0.407 -7.715 1.00 5.31 H new ATOM 0 HD21 ASN A 76 -0.345 -2.895 -7.204 1.00 54.53 H new ATOM 0 HD22 ASN A 76 -1.432 -1.710 -6.472 1.00 54.53 H new ATOM 1230 N LEU A 77 -4.451 -1.811 -5.612 1.00 11.10 N ATOM 1231 CA LEU A 77 -4.512 -2.366 -4.235 1.00 43.31 C ATOM 1232 C LEU A 77 -5.718 -3.314 -4.095 1.00 43.24 C ATOM 1233 O LEU A 77 -5.618 -4.361 -3.455 1.00 20.12 O ATOM 1234 CB LEU A 77 -4.610 -1.243 -3.150 1.00 12.12 C ATOM 1235 CG LEU A 77 -3.342 -0.354 -2.925 1.00 30.15 C ATOM 1236 CD1 LEU A 77 -3.608 0.738 -1.850 1.00 23.33 C ATOM 1237 CD2 LEU A 77 -2.098 -1.216 -2.579 1.00 43.40 C ATOM 0 H LEU A 77 -4.549 -0.797 -5.653 1.00 11.10 H new ATOM 0 HA LEU A 77 -3.585 -2.915 -4.071 1.00 43.31 H new ATOM 0 HB2 LEU A 77 -5.439 -0.588 -3.416 1.00 12.12 H new ATOM 0 HB3 LEU A 77 -4.867 -1.712 -2.200 1.00 12.12 H new ATOM 0 HG LEU A 77 -3.123 0.158 -3.862 1.00 30.15 H new ATOM 0 HD11 LEU A 77 -2.710 1.341 -1.714 1.00 23.33 H new ATOM 0 HD12 LEU A 77 -4.428 1.377 -2.176 1.00 23.33 H new ATOM 0 HD13 LEU A 77 -3.872 0.262 -0.906 1.00 23.33 H new ATOM 0 HD21 LEU A 77 -1.236 -0.567 -2.429 1.00 43.40 H new ATOM 0 HD22 LEU A 77 -2.289 -1.781 -1.667 1.00 43.40 H new ATOM 0 HD23 LEU A 77 -1.895 -1.906 -3.398 1.00 43.40 H new ATOM 1249 N GLU A 78 -6.845 -2.925 -4.713 1.00 41.20 N ATOM 1250 CA GLU A 78 -8.092 -3.704 -4.670 1.00 23.22 C ATOM 1251 C GLU A 78 -8.031 -4.899 -5.637 1.00 42.05 C ATOM 1252 O GLU A 78 -8.631 -5.939 -5.366 1.00 63.43 O ATOM 1253 CB GLU A 78 -9.317 -2.794 -4.936 1.00 45.22 C ATOM 1254 CG GLU A 78 -9.556 -1.748 -3.818 1.00 22.43 C ATOM 1255 CD GLU A 78 -10.781 -0.844 -4.060 1.00 23.23 C ATOM 1256 OE1 GLU A 78 -10.645 0.190 -4.755 1.00 62.10 O ATOM 1257 OE2 GLU A 78 -11.889 -1.162 -3.556 1.00 75.01 O ATOM 0 H GLU A 78 -6.917 -2.064 -5.255 1.00 41.20 H new ATOM 0 HA GLU A 78 -8.209 -4.115 -3.667 1.00 23.22 H new ATOM 0 HB2 GLU A 78 -9.177 -2.276 -5.885 1.00 45.22 H new ATOM 0 HB3 GLU A 78 -10.207 -3.415 -5.040 1.00 45.22 H new ATOM 0 HG2 GLU A 78 -9.682 -2.268 -2.868 1.00 22.43 H new ATOM 0 HG3 GLU A 78 -8.668 -1.123 -3.723 1.00 22.43 H new ATOM 1264 N LYS A 79 -7.271 -4.756 -6.736 1.00 73.32 N ATOM 1265 CA LYS A 79 -6.915 -5.892 -7.613 1.00 64.13 C ATOM 1266 C LYS A 79 -6.208 -6.977 -6.777 1.00 64.14 C ATOM 1267 O LYS A 79 -6.655 -8.126 -6.725 1.00 15.10 O ATOM 1268 CB LYS A 79 -6.000 -5.413 -8.775 1.00 41.13 C ATOM 1269 CG LYS A 79 -5.466 -6.525 -9.711 1.00 3.41 C ATOM 1270 CD LYS A 79 -6.585 -7.288 -10.471 1.00 74.51 C ATOM 1271 CE LYS A 79 -6.021 -8.312 -11.478 1.00 14.45 C ATOM 1272 NZ LYS A 79 -5.126 -9.311 -10.833 1.00 62.33 N ATOM 0 H LYS A 79 -6.888 -3.861 -7.042 1.00 73.32 H new ATOM 0 HA LYS A 79 -7.822 -6.311 -8.049 1.00 64.13 H new ATOM 0 HB2 LYS A 79 -6.555 -4.693 -9.376 1.00 41.13 H new ATOM 0 HB3 LYS A 79 -5.149 -4.883 -8.348 1.00 41.13 H new ATOM 0 HG2 LYS A 79 -4.783 -6.081 -10.436 1.00 3.41 H new ATOM 0 HG3 LYS A 79 -4.887 -7.237 -9.122 1.00 3.41 H new ATOM 0 HD2 LYS A 79 -7.222 -7.803 -9.752 1.00 74.51 H new ATOM 0 HD3 LYS A 79 -7.214 -6.572 -10.999 1.00 74.51 H new ATOM 0 HE2 LYS A 79 -6.847 -8.830 -11.966 1.00 14.45 H new ATOM 0 HE3 LYS A 79 -5.470 -7.785 -12.257 1.00 14.45 H new ATOM 0 HZ1 LYS A 79 -4.166 -9.219 -11.222 1.00 62.33 H new ATOM 0 HZ2 LYS A 79 -5.101 -9.144 -9.807 1.00 62.33 H new ATOM 0 HZ3 LYS A 79 -5.485 -10.269 -11.019 1.00 62.33 H new ATOM 1286 N LEU A 80 -5.154 -6.543 -6.061 1.00 0.12 N ATOM 1287 CA LEU A 80 -4.325 -7.402 -5.193 1.00 54.02 C ATOM 1288 C LEU A 80 -5.099 -7.852 -3.940 1.00 43.44 C ATOM 1289 O LEU A 80 -4.750 -8.862 -3.329 1.00 12.32 O ATOM 1290 CB LEU A 80 -3.047 -6.633 -4.789 1.00 11.22 C ATOM 1291 CG LEU A 80 -2.141 -6.167 -5.972 1.00 72.31 C ATOM 1292 CD1 LEU A 80 -1.143 -5.086 -5.505 1.00 64.24 C ATOM 1293 CD2 LEU A 80 -1.432 -7.371 -6.645 1.00 22.33 C ATOM 0 H LEU A 80 -4.849 -5.570 -6.069 1.00 0.12 H new ATOM 0 HA LEU A 80 -4.054 -8.300 -5.748 1.00 54.02 H new ATOM 0 HB2 LEU A 80 -3.339 -5.756 -4.211 1.00 11.22 H new ATOM 0 HB3 LEU A 80 -2.455 -7.268 -4.129 1.00 11.22 H new ATOM 0 HG LEU A 80 -2.776 -5.712 -6.732 1.00 72.31 H new ATOM 0 HD11 LEU A 80 -0.522 -4.776 -6.346 1.00 64.24 H new ATOM 0 HD12 LEU A 80 -1.692 -4.225 -5.123 1.00 64.24 H new ATOM 0 HD13 LEU A 80 -0.509 -5.492 -4.716 1.00 64.24 H new ATOM 0 HD21 LEU A 80 -0.809 -7.014 -7.465 1.00 22.33 H new ATOM 0 HD22 LEU A 80 -0.809 -7.883 -5.912 1.00 22.33 H new ATOM 0 HD23 LEU A 80 -2.179 -8.063 -7.032 1.00 22.33 H new ATOM 1305 N LEU A 81 -6.134 -7.073 -3.562 1.00 41.10 N ATOM 1306 CA LEU A 81 -7.064 -7.433 -2.474 1.00 70.42 C ATOM 1307 C LEU A 81 -7.857 -8.681 -2.881 1.00 72.43 C ATOM 1308 O LEU A 81 -7.951 -9.642 -2.118 1.00 61.02 O ATOM 1309 CB LEU A 81 -8.048 -6.267 -2.162 1.00 43.34 C ATOM 1310 CG LEU A 81 -8.917 -6.419 -0.873 1.00 24.35 C ATOM 1311 CD1 LEU A 81 -8.094 -6.135 0.405 1.00 31.44 C ATOM 1312 CD2 LEU A 81 -10.204 -5.556 -0.948 1.00 72.33 C ATOM 0 H LEU A 81 -6.347 -6.178 -4.003 1.00 41.10 H new ATOM 0 HA LEU A 81 -6.482 -7.634 -1.574 1.00 70.42 H new ATOM 0 HB2 LEU A 81 -7.471 -5.346 -2.079 1.00 43.34 H new ATOM 0 HB3 LEU A 81 -8.718 -6.148 -3.014 1.00 43.34 H new ATOM 0 HG LEU A 81 -9.239 -7.459 -0.814 1.00 24.35 H new ATOM 0 HD11 LEU A 81 -8.732 -6.250 1.281 1.00 31.44 H new ATOM 0 HD12 LEU A 81 -7.263 -6.837 0.466 1.00 31.44 H new ATOM 0 HD13 LEU A 81 -7.707 -5.117 0.370 1.00 31.44 H new ATOM 0 HD21 LEU A 81 -10.784 -5.687 -0.034 1.00 72.33 H new ATOM 0 HD22 LEU A 81 -9.932 -4.506 -1.058 1.00 72.33 H new ATOM 0 HD23 LEU A 81 -10.802 -5.868 -1.805 1.00 72.33 H new ATOM 1324 N GLN A 82 -8.410 -8.658 -4.112 1.00 64.44 N ATOM 1325 CA GLN A 82 -9.137 -9.812 -4.674 1.00 52.21 C ATOM 1326 C GLN A 82 -8.177 -10.944 -5.103 1.00 42.04 C ATOM 1327 O GLN A 82 -8.603 -12.094 -5.180 1.00 54.13 O ATOM 1328 CB GLN A 82 -10.069 -9.405 -5.857 1.00 70.01 C ATOM 1329 CG GLN A 82 -11.417 -8.736 -5.460 1.00 42.42 C ATOM 1330 CD GLN A 82 -11.331 -7.251 -5.133 1.00 14.15 C ATOM 1331 OE1 GLN A 82 -11.499 -6.395 -6.001 1.00 61.42 O ATOM 1332 NE2 GLN A 82 -11.042 -6.936 -3.885 1.00 34.44 N ATOM 0 H GLN A 82 -8.366 -7.851 -4.735 1.00 64.44 H new ATOM 0 HA GLN A 82 -9.770 -10.192 -3.872 1.00 52.21 H new ATOM 0 HB2 GLN A 82 -9.523 -8.720 -6.506 1.00 70.01 H new ATOM 0 HB3 GLN A 82 -10.287 -10.296 -6.446 1.00 70.01 H new ATOM 0 HG2 GLN A 82 -12.126 -8.872 -6.277 1.00 42.42 H new ATOM 0 HG3 GLN A 82 -11.823 -9.260 -4.595 1.00 42.42 H new ATOM 0 HE21 GLN A 82 -10.909 -7.672 -3.191 1.00 34.44 H new ATOM 0 HE22 GLN A 82 -10.951 -5.957 -3.614 1.00 34.44 H new ATOM 1341 N ASP A 83 -6.896 -10.622 -5.385 1.00 54.34 N ATOM 1342 CA ASP A 83 -5.858 -11.649 -5.652 1.00 61.21 C ATOM 1343 C ASP A 83 -5.483 -12.364 -4.337 1.00 31.11 C ATOM 1344 O ASP A 83 -5.165 -13.559 -4.328 1.00 21.21 O ATOM 1345 CB ASP A 83 -4.581 -11.033 -6.294 1.00 21.13 C ATOM 1346 CG ASP A 83 -4.750 -10.530 -7.742 1.00 3.41 C ATOM 1347 OD1 ASP A 83 -5.257 -11.286 -8.595 1.00 34.33 O ATOM 1348 OD2 ASP A 83 -4.329 -9.395 -8.052 1.00 33.01 O ATOM 0 H ASP A 83 -6.554 -9.662 -5.434 1.00 54.34 H new ATOM 0 HA ASP A 83 -6.275 -12.364 -6.361 1.00 61.21 H new ATOM 0 HB2 ASP A 83 -4.248 -10.201 -5.674 1.00 21.13 H new ATOM 0 HB3 ASP A 83 -3.788 -11.781 -6.277 1.00 21.13 H new ATOM 1353 N ALA A 84 -5.517 -11.602 -3.229 1.00 61.44 N ATOM 1354 CA ALA A 84 -5.260 -12.131 -1.874 1.00 23.23 C ATOM 1355 C ALA A 84 -6.492 -12.889 -1.350 1.00 42.02 C ATOM 1356 O ALA A 84 -6.362 -13.824 -0.569 1.00 60.15 O ATOM 1357 CB ALA A 84 -4.860 -10.994 -0.921 1.00 13.44 C ATOM 0 H ALA A 84 -5.723 -10.603 -3.246 1.00 61.44 H new ATOM 0 HA ALA A 84 -4.429 -12.835 -1.925 1.00 23.23 H new ATOM 0 HB1 ALA A 84 -4.674 -11.401 0.073 1.00 13.44 H new ATOM 0 HB2 ALA A 84 -3.955 -10.511 -1.290 1.00 13.44 H new ATOM 0 HB3 ALA A 84 -5.666 -10.262 -0.869 1.00 13.44 H new ATOM 1363 N TYR A 85 -7.690 -12.472 -1.789 1.00 43.14 N ATOM 1364 CA TYR A 85 -8.942 -13.194 -1.496 1.00 41.23 C ATOM 1365 C TYR A 85 -9.090 -14.430 -2.411 1.00 5.20 C ATOM 1366 O TYR A 85 -9.838 -15.360 -2.087 1.00 13.14 O ATOM 1367 CB TYR A 85 -10.167 -12.247 -1.633 1.00 1.23 C ATOM 1368 CG TYR A 85 -10.307 -11.173 -0.523 1.00 12.24 C ATOM 1369 CD1 TYR A 85 -9.791 -11.381 0.766 1.00 4.52 C ATOM 1370 CD2 TYR A 85 -10.989 -9.966 -0.754 1.00 15.14 C ATOM 1371 CE1 TYR A 85 -9.950 -10.436 1.766 1.00 61.00 C ATOM 1372 CE2 TYR A 85 -11.138 -9.025 0.250 1.00 73.04 C ATOM 1373 CZ TYR A 85 -10.621 -9.266 1.499 1.00 62.13 C ATOM 1374 OH TYR A 85 -10.783 -8.332 2.495 1.00 75.53 O ATOM 0 H TYR A 85 -7.820 -11.632 -2.353 1.00 43.14 H new ATOM 0 HA TYR A 85 -8.901 -13.545 -0.465 1.00 41.23 H new ATOM 0 HB2 TYR A 85 -10.108 -11.742 -2.597 1.00 1.23 H new ATOM 0 HB3 TYR A 85 -11.073 -12.853 -1.645 1.00 1.23 H new ATOM 0 HD1 TYR A 85 -9.260 -12.296 0.982 1.00 4.52 H new ATOM 0 HD2 TYR A 85 -11.404 -9.769 -1.732 1.00 15.14 H new ATOM 0 HE1 TYR A 85 -9.548 -10.618 2.752 1.00 61.00 H new ATOM 0 HE2 TYR A 85 -11.661 -8.101 0.051 1.00 73.04 H new ATOM 0 HH TYR A 85 -11.277 -7.562 2.144 1.00 75.53 H new ATOM 1384 N GLU A 86 -8.379 -14.415 -3.565 1.00 31.24 N ATOM 1385 CA GLU A 86 -8.282 -15.581 -4.473 1.00 54.32 C ATOM 1386 C GLU A 86 -7.263 -16.595 -3.919 1.00 32.32 C ATOM 1387 O GLU A 86 -7.305 -17.784 -4.261 1.00 11.43 O ATOM 1388 CB GLU A 86 -7.898 -15.147 -5.925 1.00 63.01 C ATOM 1389 CG GLU A 86 -7.962 -16.270 -6.988 1.00 33.41 C ATOM 1390 CD GLU A 86 -9.388 -16.835 -7.188 1.00 61.13 C ATOM 1391 OE1 GLU A 86 -9.833 -17.697 -6.390 1.00 65.22 O ATOM 1392 OE2 GLU A 86 -10.084 -16.395 -8.128 1.00 33.41 O ATOM 0 H GLU A 86 -7.860 -13.599 -3.890 1.00 31.24 H new ATOM 0 HA GLU A 86 -9.262 -16.055 -4.524 1.00 54.32 H new ATOM 0 HB2 GLU A 86 -8.562 -14.339 -6.233 1.00 63.01 H new ATOM 0 HB3 GLU A 86 -6.887 -14.740 -5.910 1.00 63.01 H new ATOM 0 HG2 GLU A 86 -7.594 -15.884 -7.939 1.00 33.41 H new ATOM 0 HG3 GLU A 86 -7.295 -17.080 -6.693 1.00 33.41 H new ATOM 1399 N ARG A 87 -6.325 -16.102 -3.075 1.00 72.30 N ATOM 1400 CA ARG A 87 -5.451 -16.965 -2.262 1.00 51.00 C ATOM 1401 C ARG A 87 -6.341 -17.791 -1.306 1.00 74.23 C ATOM 1402 O ARG A 87 -6.789 -17.292 -0.266 1.00 24.14 O ATOM 1403 CB ARG A 87 -4.402 -16.121 -1.477 1.00 25.22 C ATOM 1404 CG ARG A 87 -3.458 -16.916 -0.540 1.00 41.44 C ATOM 1405 CD ARG A 87 -2.585 -17.944 -1.277 1.00 2.11 C ATOM 1406 NE ARG A 87 -1.813 -18.747 -0.323 1.00 30.44 N ATOM 1407 CZ ARG A 87 -1.732 -20.082 -0.303 1.00 35.14 C ATOM 1408 NH1 ARG A 87 -2.373 -20.825 -1.201 1.00 2.32 N ATOM 1409 NH2 ARG A 87 -1.031 -20.663 0.651 1.00 3.05 N ATOM 0 H ARG A 87 -6.158 -15.104 -2.943 1.00 72.30 H new ATOM 0 HA ARG A 87 -4.888 -17.638 -2.909 1.00 51.00 H new ATOM 0 HB2 ARG A 87 -3.792 -15.574 -2.196 1.00 25.22 H new ATOM 0 HB3 ARG A 87 -4.934 -15.379 -0.881 1.00 25.22 H new ATOM 0 HG2 ARG A 87 -2.812 -16.216 -0.010 1.00 41.44 H new ATOM 0 HG3 ARG A 87 -4.055 -17.431 0.212 1.00 41.44 H new ATOM 0 HD2 ARG A 87 -3.215 -18.596 -1.883 1.00 2.11 H new ATOM 0 HD3 ARG A 87 -1.908 -17.431 -1.960 1.00 2.11 H new ATOM 0 HE ARG A 87 -1.290 -18.241 0.391 1.00 30.44 H new ATOM 0 HH11 ARG A 87 -2.939 -20.378 -1.922 1.00 2.32 H new ATOM 0 HH12 ARG A 87 -2.298 -21.842 -1.169 1.00 2.32 H new ATOM 0 HH21 ARG A 87 -0.562 -20.096 1.357 1.00 3.05 H new ATOM 0 HH22 ARG A 87 -0.958 -21.680 0.683 1.00 3.05 H new ATOM 1423 N SER A 88 -6.615 -19.039 -1.724 1.00 44.42 N ATOM 1424 CA SER A 88 -7.596 -19.936 -1.090 1.00 52.40 C ATOM 1425 C SER A 88 -7.261 -20.213 0.390 1.00 64.25 C ATOM 1426 O SER A 88 -8.154 -20.221 1.251 1.00 2.31 O ATOM 1427 CB SER A 88 -7.662 -21.241 -1.910 1.00 55.32 C ATOM 1428 OG SER A 88 -6.377 -21.843 -2.018 1.00 33.53 O ATOM 0 H SER A 88 -6.151 -19.461 -2.529 1.00 44.42 H new ATOM 0 HA SER A 88 -8.573 -19.452 -1.087 1.00 52.40 H new ATOM 0 HB2 SER A 88 -8.355 -21.937 -1.437 1.00 55.32 H new ATOM 0 HB3 SER A 88 -8.053 -21.030 -2.905 1.00 55.32 H new ATOM 0 HG SER A 88 -6.446 -22.669 -2.541 1.00 33.53 H new ATOM 1434 N GLU A 89 -5.968 -20.419 0.676 1.00 74.31 N ATOM 1435 CA GLU A 89 -5.480 -20.646 2.043 1.00 41.44 C ATOM 1436 C GLU A 89 -5.245 -19.273 2.704 1.00 41.43 C ATOM 1437 O GLU A 89 -4.225 -18.617 2.453 1.00 22.20 O ATOM 1438 CB GLU A 89 -4.185 -21.504 2.014 1.00 42.11 C ATOM 1439 CG GLU A 89 -4.306 -22.801 1.186 1.00 21.21 C ATOM 1440 CD GLU A 89 -3.027 -23.660 1.192 1.00 33.42 C ATOM 1441 OE1 GLU A 89 -2.094 -23.365 0.408 1.00 10.42 O ATOM 1442 OE2 GLU A 89 -2.952 -24.640 1.964 1.00 33.11 O ATOM 0 H GLU A 89 -5.233 -20.433 -0.031 1.00 74.31 H new ATOM 0 HA GLU A 89 -6.215 -21.200 2.628 1.00 41.44 H new ATOM 0 HB2 GLU A 89 -3.372 -20.902 1.609 1.00 42.11 H new ATOM 0 HB3 GLU A 89 -3.911 -21.763 3.037 1.00 42.11 H new ATOM 0 HG2 GLU A 89 -5.134 -23.394 1.575 1.00 21.21 H new ATOM 0 HG3 GLU A 89 -4.555 -22.543 0.157 1.00 21.21 H new ATOM 1449 N SER A 90 -6.234 -18.818 3.493 1.00 5.24 N ATOM 1450 CA SER A 90 -6.224 -17.488 4.116 1.00 23.35 C ATOM 1451 C SER A 90 -5.915 -17.573 5.633 1.00 35.30 C ATOM 1452 O SER A 90 -6.743 -18.020 6.435 1.00 44.13 O ATOM 1453 CB SER A 90 -7.584 -16.803 3.851 1.00 72.25 C ATOM 1454 OG SER A 90 -7.868 -16.739 2.454 1.00 62.22 O ATOM 0 H SER A 90 -7.065 -19.366 3.716 1.00 5.24 H new ATOM 0 HA SER A 90 -5.428 -16.889 3.673 1.00 23.35 H new ATOM 0 HB2 SER A 90 -8.376 -17.352 4.361 1.00 72.25 H new ATOM 0 HB3 SER A 90 -7.574 -15.796 4.269 1.00 72.25 H new ATOM 0 HG SER A 90 -7.077 -17.016 1.946 1.00 62.22 H new ATOM 1460 N LEU A 91 -4.676 -17.200 5.968 1.00 55.34 N ATOM 1461 CA LEU A 91 -4.202 -16.914 7.339 1.00 61.12 C ATOM 1462 C LEU A 91 -3.278 -15.694 7.174 1.00 34.43 C ATOM 1463 O LEU A 91 -3.452 -14.648 7.809 1.00 14.24 O ATOM 1464 CB LEU A 91 -3.450 -18.165 7.929 1.00 33.43 C ATOM 1465 CG LEU A 91 -3.232 -18.235 9.490 1.00 25.42 C ATOM 1466 CD1 LEU A 91 -2.655 -19.611 9.903 1.00 44.03 C ATOM 1467 CD2 LEU A 91 -2.345 -17.090 10.048 1.00 32.14 C ATOM 0 H LEU A 91 -3.942 -17.082 5.269 1.00 55.34 H new ATOM 0 HA LEU A 91 -5.009 -16.706 8.042 1.00 61.12 H new ATOM 0 HB2 LEU A 91 -4.001 -19.057 7.629 1.00 33.43 H new ATOM 0 HB3 LEU A 91 -2.471 -18.220 7.453 1.00 33.43 H new ATOM 0 HG LEU A 91 -4.219 -18.104 9.935 1.00 25.42 H new ATOM 0 HD11 LEU A 91 -2.513 -19.636 10.983 1.00 44.03 H new ATOM 0 HD12 LEU A 91 -3.348 -20.399 9.609 1.00 44.03 H new ATOM 0 HD13 LEU A 91 -1.697 -19.767 9.407 1.00 44.03 H new ATOM 0 HD21 LEU A 91 -2.240 -17.204 11.127 1.00 32.14 H new ATOM 0 HD22 LEU A 91 -1.361 -17.132 9.581 1.00 32.14 H new ATOM 0 HD23 LEU A 91 -2.811 -16.129 9.828 1.00 32.14 H new ATOM 1479 N GLU A 92 -2.324 -15.883 6.250 1.00 52.35 N ATOM 1480 CA GLU A 92 -1.424 -14.855 5.689 1.00 74.21 C ATOM 1481 C GLU A 92 -2.171 -13.595 5.170 1.00 70.24 C ATOM 1482 O GLU A 92 -1.660 -12.468 5.260 1.00 31.43 O ATOM 1483 CB GLU A 92 -0.648 -15.538 4.524 1.00 30.40 C ATOM 1484 CG GLU A 92 -1.564 -16.211 3.462 1.00 44.04 C ATOM 1485 CD GLU A 92 -0.816 -17.078 2.441 1.00 64.55 C ATOM 1486 OE1 GLU A 92 -0.640 -18.300 2.686 1.00 22.44 O ATOM 1487 OE2 GLU A 92 -0.426 -16.555 1.383 1.00 34.11 O ATOM 0 H GLU A 92 -2.147 -16.805 5.851 1.00 52.35 H new ATOM 0 HA GLU A 92 -0.761 -14.493 6.475 1.00 74.21 H new ATOM 0 HB2 GLU A 92 -0.024 -14.793 4.031 1.00 30.40 H new ATOM 0 HB3 GLU A 92 0.022 -16.290 4.940 1.00 30.40 H new ATOM 0 HG2 GLU A 92 -2.301 -16.829 3.975 1.00 44.04 H new ATOM 0 HG3 GLU A 92 -2.113 -15.435 2.929 1.00 44.04 H new ATOM 1494 N VAL A 93 -3.387 -13.814 4.645 1.00 74.04 N ATOM 1495 CA VAL A 93 -4.198 -12.781 3.972 1.00 33.54 C ATOM 1496 C VAL A 93 -4.691 -11.689 4.948 1.00 75.31 C ATOM 1497 O VAL A 93 -4.962 -10.562 4.522 1.00 73.13 O ATOM 1498 CB VAL A 93 -5.399 -13.463 3.210 1.00 53.32 C ATOM 1499 CG1 VAL A 93 -6.331 -12.441 2.508 1.00 4.13 C ATOM 1500 CG2 VAL A 93 -4.861 -14.521 2.208 1.00 4.45 C ATOM 0 H VAL A 93 -3.843 -14.726 4.675 1.00 74.04 H new ATOM 0 HA VAL A 93 -3.562 -12.271 3.248 1.00 33.54 H new ATOM 0 HB VAL A 93 -6.016 -13.962 3.958 1.00 53.32 H new ATOM 0 HG11 VAL A 93 -7.137 -12.972 2.002 1.00 4.13 H new ATOM 0 HG12 VAL A 93 -6.753 -11.763 3.250 1.00 4.13 H new ATOM 0 HG13 VAL A 93 -5.759 -11.869 1.778 1.00 4.13 H new ATOM 0 HG21 VAL A 93 -5.697 -14.987 1.687 1.00 4.45 H new ATOM 0 HG22 VAL A 93 -4.206 -14.036 1.484 1.00 4.45 H new ATOM 0 HG23 VAL A 93 -4.301 -15.284 2.750 1.00 4.45 H new ATOM 1510 N ALA A 94 -4.779 -12.010 6.256 1.00 64.12 N ATOM 1511 CA ALA A 94 -5.141 -11.016 7.296 1.00 33.13 C ATOM 1512 C ALA A 94 -4.149 -9.825 7.291 1.00 20.21 C ATOM 1513 O ALA A 94 -4.566 -8.649 7.245 1.00 31.13 O ATOM 1514 CB ALA A 94 -5.205 -11.692 8.669 1.00 64.14 C ATOM 0 H ALA A 94 -4.605 -12.947 6.619 1.00 64.12 H new ATOM 0 HA ALA A 94 -6.129 -10.614 7.071 1.00 33.13 H new ATOM 0 HB1 ALA A 94 -5.471 -10.954 9.426 1.00 64.14 H new ATOM 0 HB2 ALA A 94 -5.957 -12.481 8.651 1.00 64.14 H new ATOM 0 HB3 ALA A 94 -4.233 -12.122 8.908 1.00 64.14 H new ATOM 1520 N PHE A 95 -2.840 -10.163 7.273 1.00 54.43 N ATOM 1521 CA PHE A 95 -1.743 -9.184 7.154 1.00 30.44 C ATOM 1522 C PHE A 95 -1.951 -8.313 5.898 1.00 12.02 C ATOM 1523 O PHE A 95 -2.128 -7.105 6.004 1.00 33.24 O ATOM 1524 CB PHE A 95 -0.367 -9.921 7.098 1.00 50.51 C ATOM 1525 CG PHE A 95 0.865 -8.996 7.019 1.00 12.34 C ATOM 1526 CD1 PHE A 95 1.471 -8.505 8.180 1.00 1.32 C ATOM 1527 CD2 PHE A 95 1.400 -8.608 5.787 1.00 51.32 C ATOM 1528 CE1 PHE A 95 2.569 -7.661 8.107 1.00 13.24 C ATOM 1529 CE2 PHE A 95 2.495 -7.767 5.718 1.00 33.10 C ATOM 1530 CZ PHE A 95 3.078 -7.292 6.876 1.00 64.10 C ATOM 0 H PHE A 95 -2.516 -11.128 7.341 1.00 54.43 H new ATOM 0 HA PHE A 95 -1.746 -8.535 8.029 1.00 30.44 H new ATOM 0 HB2 PHE A 95 -0.273 -10.551 7.982 1.00 50.51 H new ATOM 0 HB3 PHE A 95 -0.361 -10.583 6.232 1.00 50.51 H new ATOM 0 HD1 PHE A 95 1.079 -8.787 9.146 1.00 1.32 H new ATOM 0 HD2 PHE A 95 0.951 -8.971 4.875 1.00 51.32 H new ATOM 0 HE1 PHE A 95 3.027 -7.292 9.013 1.00 13.24 H new ATOM 0 HE2 PHE A 95 2.895 -7.481 4.757 1.00 33.10 H new ATOM 0 HZ PHE A 95 3.931 -6.632 6.820 1.00 64.10 H new ATOM 1540 N VAL A 96 -2.008 -8.981 4.735 1.00 52.30 N ATOM 1541 CA VAL A 96 -2.081 -8.339 3.402 1.00 75.13 C ATOM 1542 C VAL A 96 -3.226 -7.303 3.326 1.00 75.14 C ATOM 1543 O VAL A 96 -3.003 -6.129 2.999 1.00 51.20 O ATOM 1544 CB VAL A 96 -2.298 -9.422 2.280 1.00 22.22 C ATOM 1545 CG1 VAL A 96 -2.266 -8.796 0.865 1.00 43.23 C ATOM 1546 CG2 VAL A 96 -1.283 -10.571 2.426 1.00 15.44 C ATOM 0 H VAL A 96 -2.005 -10.000 4.688 1.00 52.30 H new ATOM 0 HA VAL A 96 -1.134 -7.824 3.244 1.00 75.13 H new ATOM 0 HB VAL A 96 -3.294 -9.844 2.410 1.00 22.22 H new ATOM 0 HG11 VAL A 96 -2.419 -9.576 0.119 1.00 43.23 H new ATOM 0 HG12 VAL A 96 -3.057 -8.051 0.779 1.00 43.23 H new ATOM 0 HG13 VAL A 96 -1.299 -8.320 0.699 1.00 43.23 H new ATOM 0 HG21 VAL A 96 -1.452 -11.308 1.640 1.00 15.44 H new ATOM 0 HG22 VAL A 96 -0.271 -10.175 2.341 1.00 15.44 H new ATOM 0 HG23 VAL A 96 -1.407 -11.045 3.400 1.00 15.44 H new ATOM 1556 N THR A 97 -4.433 -7.767 3.691 1.00 13.23 N ATOM 1557 CA THR A 97 -5.664 -6.978 3.643 1.00 72.03 C ATOM 1558 C THR A 97 -5.566 -5.762 4.567 1.00 24.24 C ATOM 1559 O THR A 97 -5.727 -4.626 4.114 1.00 3.34 O ATOM 1560 CB THR A 97 -6.892 -7.849 4.046 1.00 21.35 C ATOM 1561 OG1 THR A 97 -7.051 -8.932 3.125 1.00 72.02 O ATOM 1562 CG2 THR A 97 -8.195 -7.030 4.107 1.00 3.40 C ATOM 0 H THR A 97 -4.577 -8.717 4.033 1.00 13.23 H new ATOM 0 HA THR A 97 -5.799 -6.631 2.619 1.00 72.03 H new ATOM 0 HB THR A 97 -6.696 -8.236 5.046 1.00 21.35 H new ATOM 0 HG1 THR A 97 -6.405 -9.638 3.336 1.00 72.02 H new ATOM 0 HG21 THR A 97 -9.021 -7.681 4.392 1.00 3.40 H new ATOM 0 HG22 THR A 97 -8.090 -6.234 4.844 1.00 3.40 H new ATOM 0 HG23 THR A 97 -8.397 -6.594 3.128 1.00 3.40 H new ATOM 1570 N GLN A 98 -5.226 -6.009 5.848 1.00 72.52 N ATOM 1571 CA GLN A 98 -5.156 -4.941 6.867 1.00 21.12 C ATOM 1572 C GLN A 98 -4.053 -3.913 6.525 1.00 72.33 C ATOM 1573 O GLN A 98 -4.184 -2.730 6.854 1.00 75.34 O ATOM 1574 CB GLN A 98 -4.975 -5.552 8.294 1.00 5.50 C ATOM 1575 CG GLN A 98 -6.294 -5.935 9.006 1.00 40.52 C ATOM 1576 CD GLN A 98 -7.251 -6.784 8.166 1.00 13.21 C ATOM 1577 OE1 GLN A 98 -8.104 -6.257 7.447 1.00 73.14 O ATOM 1578 NE2 GLN A 98 -7.118 -8.098 8.231 1.00 32.31 N ATOM 0 H GLN A 98 -4.996 -6.938 6.202 1.00 72.52 H new ATOM 0 HA GLN A 98 -6.101 -4.398 6.864 1.00 21.12 H new ATOM 0 HB2 GLN A 98 -4.348 -6.441 8.217 1.00 5.50 H new ATOM 0 HB3 GLN A 98 -4.437 -4.836 8.915 1.00 5.50 H new ATOM 0 HG2 GLN A 98 -6.053 -6.479 9.919 1.00 40.52 H new ATOM 0 HG3 GLN A 98 -6.808 -5.022 9.305 1.00 40.52 H new ATOM 0 HE21 GLN A 98 -6.405 -8.509 8.833 1.00 32.31 H new ATOM 0 HE22 GLN A 98 -7.729 -8.700 7.679 1.00 32.31 H new ATOM 1587 N LEU A 99 -2.998 -4.368 5.827 1.00 33.42 N ATOM 1588 CA LEU A 99 -1.855 -3.516 5.405 1.00 62.25 C ATOM 1589 C LEU A 99 -2.240 -2.561 4.262 1.00 10.52 C ATOM 1590 O LEU A 99 -2.089 -1.330 4.404 1.00 22.34 O ATOM 1591 CB LEU A 99 -0.636 -4.415 5.028 1.00 52.14 C ATOM 1592 CG LEU A 99 0.417 -4.684 6.171 1.00 34.22 C ATOM 1593 CD1 LEU A 99 1.319 -3.455 6.382 1.00 30.23 C ATOM 1594 CD2 LEU A 99 -0.240 -5.121 7.509 1.00 52.20 C ATOM 0 H LEU A 99 -2.907 -5.341 5.535 1.00 33.42 H new ATOM 0 HA LEU A 99 -1.570 -2.883 6.245 1.00 62.25 H new ATOM 0 HB2 LEU A 99 -1.015 -5.376 4.680 1.00 52.14 H new ATOM 0 HB3 LEU A 99 -0.118 -3.953 4.188 1.00 52.14 H new ATOM 0 HG LEU A 99 1.031 -5.521 5.838 1.00 34.22 H new ATOM 0 HD11 LEU A 99 2.038 -3.663 7.175 1.00 30.23 H new ATOM 0 HD12 LEU A 99 1.853 -3.232 5.458 1.00 30.23 H new ATOM 0 HD13 LEU A 99 0.707 -2.598 6.663 1.00 30.23 H new ATOM 0 HD21 LEU A 99 0.535 -5.291 8.256 1.00 52.20 H new ATOM 0 HD22 LEU A 99 -0.913 -4.338 7.857 1.00 52.20 H new ATOM 0 HD23 LEU A 99 -0.803 -6.041 7.354 1.00 52.20 H new ATOM 1606 N VAL A 100 -2.774 -3.125 3.142 1.00 54.10 N ATOM 1607 CA VAL A 100 -3.177 -2.306 1.959 1.00 75.15 C ATOM 1608 C VAL A 100 -4.368 -1.357 2.327 1.00 50.44 C ATOM 1609 O VAL A 100 -4.469 -0.230 1.818 1.00 14.33 O ATOM 1610 CB VAL A 100 -3.571 -3.181 0.716 1.00 1.21 C ATOM 1611 CG1 VAL A 100 -2.357 -4.016 0.237 1.00 21.50 C ATOM 1612 CG2 VAL A 100 -4.814 -4.083 0.995 1.00 50.12 C ATOM 0 H VAL A 100 -2.934 -4.126 3.032 1.00 54.10 H new ATOM 0 HA VAL A 100 -2.303 -1.717 1.682 1.00 75.15 H new ATOM 0 HB VAL A 100 -3.860 -2.502 -0.086 1.00 1.21 H new ATOM 0 HG11 VAL A 100 -2.646 -4.617 -0.625 1.00 21.50 H new ATOM 0 HG12 VAL A 100 -1.543 -3.347 -0.043 1.00 21.50 H new ATOM 0 HG13 VAL A 100 -2.026 -4.672 1.042 1.00 21.50 H new ATOM 0 HG21 VAL A 100 -5.046 -4.668 0.105 1.00 50.12 H new ATOM 0 HG22 VAL A 100 -4.597 -4.755 1.825 1.00 50.12 H new ATOM 0 HG23 VAL A 100 -5.668 -3.456 1.250 1.00 50.12 H new ATOM 1622 N LYS A 101 -5.242 -1.842 3.236 1.00 63.41 N ATOM 1623 CA LYS A 101 -6.396 -1.099 3.759 1.00 33.35 C ATOM 1624 C LYS A 101 -5.924 0.090 4.613 1.00 33.30 C ATOM 1625 O LYS A 101 -6.361 1.230 4.391 1.00 1.53 O ATOM 1626 CB LYS A 101 -7.252 -2.061 4.612 1.00 60.14 C ATOM 1627 CG LYS A 101 -8.576 -1.494 5.166 1.00 14.04 C ATOM 1628 CD LYS A 101 -9.262 -2.479 6.141 1.00 63.15 C ATOM 1629 CE LYS A 101 -9.541 -3.862 5.508 1.00 23.41 C ATOM 1630 NZ LYS A 101 -10.601 -3.827 4.467 1.00 43.12 N ATOM 0 H LYS A 101 -5.158 -2.779 3.630 1.00 63.41 H new ATOM 0 HA LYS A 101 -6.989 -0.708 2.932 1.00 33.35 H new ATOM 0 HB2 LYS A 101 -7.482 -2.939 4.009 1.00 60.14 H new ATOM 0 HB3 LYS A 101 -6.648 -2.401 5.453 1.00 60.14 H new ATOM 0 HG2 LYS A 101 -8.381 -0.552 5.679 1.00 14.04 H new ATOM 0 HG3 LYS A 101 -9.251 -1.273 4.339 1.00 14.04 H new ATOM 0 HD2 LYS A 101 -8.631 -2.609 7.021 1.00 63.15 H new ATOM 0 HD3 LYS A 101 -10.202 -2.046 6.484 1.00 63.15 H new ATOM 0 HE2 LYS A 101 -8.621 -4.245 5.067 1.00 23.41 H new ATOM 0 HE3 LYS A 101 -9.834 -4.561 6.292 1.00 23.41 H new ATOM 0 HZ1 LYS A 101 -10.389 -4.531 3.732 1.00 43.12 H new ATOM 0 HZ2 LYS A 101 -11.521 -4.046 4.901 1.00 43.12 H new ATOM 0 HZ3 LYS A 101 -10.636 -2.880 4.039 1.00 43.12 H new ATOM 1644 N LYS A 102 -5.030 -0.197 5.577 1.00 45.31 N ATOM 1645 CA LYS A 102 -4.447 0.829 6.489 1.00 61.02 C ATOM 1646 C LYS A 102 -3.686 1.906 5.693 1.00 73.24 C ATOM 1647 O LYS A 102 -3.748 3.092 6.034 1.00 74.33 O ATOM 1648 CB LYS A 102 -3.489 0.152 7.503 1.00 25.22 C ATOM 1649 CG LYS A 102 -2.986 1.063 8.648 1.00 24.10 C ATOM 1650 CD LYS A 102 -1.995 0.348 9.594 1.00 4.54 C ATOM 1651 CE LYS A 102 -2.545 -0.985 10.146 1.00 4.02 C ATOM 1652 NZ LYS A 102 -3.865 -0.841 10.833 1.00 25.52 N ATOM 0 H LYS A 102 -4.686 -1.141 5.753 1.00 45.31 H new ATOM 0 HA LYS A 102 -5.264 1.311 7.026 1.00 61.02 H new ATOM 0 HB2 LYS A 102 -3.998 -0.707 7.941 1.00 25.22 H new ATOM 0 HB3 LYS A 102 -2.625 -0.232 6.961 1.00 25.22 H new ATOM 0 HG2 LYS A 102 -2.503 1.942 8.221 1.00 24.10 H new ATOM 0 HG3 LYS A 102 -3.840 1.418 9.225 1.00 24.10 H new ATOM 0 HD2 LYS A 102 -1.064 0.158 9.060 1.00 4.54 H new ATOM 0 HD3 LYS A 102 -1.755 1.009 10.427 1.00 4.54 H new ATOM 0 HE2 LYS A 102 -2.646 -1.696 9.326 1.00 4.02 H new ATOM 0 HE3 LYS A 102 -1.823 -1.406 10.846 1.00 4.02 H new ATOM 0 HZ1 LYS A 102 -4.163 -1.764 11.210 1.00 25.52 H new ATOM 0 HZ2 LYS A 102 -3.777 -0.160 11.614 1.00 25.52 H new ATOM 0 HZ3 LYS A 102 -4.574 -0.499 10.154 1.00 25.52 H new ATOM 1666 N LEU A 103 -2.967 1.455 4.657 1.00 21.43 N ATOM 1667 CA LEU A 103 -2.250 2.341 3.720 1.00 51.54 C ATOM 1668 C LEU A 103 -3.247 3.249 2.961 1.00 11.30 C ATOM 1669 O LEU A 103 -3.000 4.449 2.792 1.00 63.45 O ATOM 1670 CB LEU A 103 -1.426 1.489 2.720 1.00 75.44 C ATOM 1671 CG LEU A 103 -0.511 2.284 1.735 1.00 23.42 C ATOM 1672 CD1 LEU A 103 0.534 3.129 2.497 1.00 33.43 C ATOM 1673 CD2 LEU A 103 0.149 1.334 0.691 1.00 3.32 C ATOM 0 H LEU A 103 -2.864 0.463 4.441 1.00 21.43 H new ATOM 0 HA LEU A 103 -1.572 2.979 4.287 1.00 51.54 H new ATOM 0 HB2 LEU A 103 -0.802 0.800 3.289 1.00 75.44 H new ATOM 0 HB3 LEU A 103 -2.117 0.883 2.134 1.00 75.44 H new ATOM 0 HG LEU A 103 -1.139 2.982 1.181 1.00 23.42 H new ATOM 0 HD11 LEU A 103 1.155 3.670 1.783 1.00 33.43 H new ATOM 0 HD12 LEU A 103 0.023 3.840 3.146 1.00 33.43 H new ATOM 0 HD13 LEU A 103 1.162 2.473 3.100 1.00 33.43 H new ATOM 0 HD21 LEU A 103 0.780 1.915 0.018 1.00 3.32 H new ATOM 0 HD22 LEU A 103 0.757 0.591 1.208 1.00 3.32 H new ATOM 0 HD23 LEU A 103 -0.628 0.830 0.115 1.00 3.32 H new ATOM 1685 N LEU A 104 -4.368 2.649 2.529 1.00 52.41 N ATOM 1686 CA LEU A 104 -5.440 3.349 1.794 1.00 21.42 C ATOM 1687 C LEU A 104 -6.145 4.396 2.695 1.00 11.41 C ATOM 1688 O LEU A 104 -6.624 5.433 2.225 1.00 51.20 O ATOM 1689 CB LEU A 104 -6.471 2.314 1.233 1.00 62.43 C ATOM 1690 CG LEU A 104 -7.426 2.819 0.101 1.00 42.31 C ATOM 1691 CD1 LEU A 104 -6.599 3.398 -1.068 1.00 62.21 C ATOM 1692 CD2 LEU A 104 -8.382 1.688 -0.365 1.00 32.15 C ATOM 0 H LEU A 104 -4.559 1.659 2.680 1.00 52.41 H new ATOM 0 HA LEU A 104 -4.990 3.884 0.957 1.00 21.42 H new ATOM 0 HB2 LEU A 104 -5.919 1.454 0.854 1.00 62.43 H new ATOM 0 HB3 LEU A 104 -7.083 1.959 2.062 1.00 62.43 H new ATOM 0 HG LEU A 104 -8.053 3.619 0.495 1.00 42.31 H new ATOM 0 HD11 LEU A 104 -7.271 3.747 -1.852 1.00 62.21 H new ATOM 0 HD12 LEU A 104 -5.996 4.232 -0.709 1.00 62.21 H new ATOM 0 HD13 LEU A 104 -5.945 2.624 -1.470 1.00 62.21 H new ATOM 0 HD21 LEU A 104 -9.035 2.065 -1.152 1.00 32.15 H new ATOM 0 HD22 LEU A 104 -7.797 0.852 -0.748 1.00 32.15 H new ATOM 0 HD23 LEU A 104 -8.986 1.352 0.478 1.00 32.15 H new ATOM 1704 N ILE A 105 -6.184 4.097 4.007 1.00 62.41 N ATOM 1705 CA ILE A 105 -6.713 5.010 5.045 1.00 43.11 C ATOM 1706 C ILE A 105 -5.730 6.184 5.270 1.00 14.25 C ATOM 1707 O ILE A 105 -6.155 7.341 5.347 1.00 25.32 O ATOM 1708 CB ILE A 105 -6.982 4.239 6.404 1.00 20.40 C ATOM 1709 CG1 ILE A 105 -8.057 3.121 6.182 1.00 43.11 C ATOM 1710 CG2 ILE A 105 -7.422 5.208 7.541 1.00 31.23 C ATOM 1711 CD1 ILE A 105 -8.289 2.199 7.372 1.00 50.51 C ATOM 0 H ILE A 105 -5.848 3.210 4.382 1.00 62.41 H new ATOM 0 HA ILE A 105 -7.666 5.409 4.696 1.00 43.11 H new ATOM 0 HB ILE A 105 -6.046 3.777 6.719 1.00 20.40 H new ATOM 0 HG12 ILE A 105 -9.003 3.596 5.921 1.00 43.11 H new ATOM 0 HG13 ILE A 105 -7.757 2.516 5.327 1.00 43.11 H new ATOM 0 HG21 ILE A 105 -7.597 4.641 8.455 1.00 31.23 H new ATOM 0 HG22 ILE A 105 -6.638 5.945 7.715 1.00 31.23 H new ATOM 0 HG23 ILE A 105 -8.340 5.718 7.250 1.00 31.23 H new ATOM 0 HD11 ILE A 105 -9.050 1.461 7.118 1.00 50.51 H new ATOM 0 HD12 ILE A 105 -7.359 1.689 7.624 1.00 50.51 H new ATOM 0 HD13 ILE A 105 -8.624 2.786 8.227 1.00 50.51 H new ATOM 1723 N ILE A 106 -4.415 5.858 5.363 1.00 43.05 N ATOM 1724 CA ILE A 106 -3.320 6.845 5.568 1.00 20.44 C ATOM 1725 C ILE A 106 -3.341 7.953 4.489 1.00 73.15 C ATOM 1726 O ILE A 106 -3.274 9.146 4.813 1.00 41.14 O ATOM 1727 CB ILE A 106 -1.914 6.111 5.598 1.00 44.11 C ATOM 1728 CG1 ILE A 106 -1.724 5.347 6.954 1.00 3.44 C ATOM 1729 CG2 ILE A 106 -0.715 7.054 5.309 1.00 33.24 C ATOM 1730 CD1 ILE A 106 -0.482 4.471 7.029 1.00 73.32 C ATOM 0 H ILE A 106 -4.081 4.896 5.298 1.00 43.05 H new ATOM 0 HA ILE A 106 -3.482 7.328 6.532 1.00 20.44 H new ATOM 0 HB ILE A 106 -1.923 5.389 4.781 1.00 44.11 H new ATOM 0 HG12 ILE A 106 -1.685 6.077 7.763 1.00 3.44 H new ATOM 0 HG13 ILE A 106 -2.601 4.724 7.129 1.00 3.44 H new ATOM 0 HG21 ILE A 106 0.213 6.484 5.346 1.00 33.24 H new ATOM 0 HG22 ILE A 106 -0.830 7.496 4.319 1.00 33.24 H new ATOM 0 HG23 ILE A 106 -0.685 7.845 6.059 1.00 33.24 H new ATOM 0 HD11 ILE A 106 -0.438 3.985 8.004 1.00 73.32 H new ATOM 0 HD12 ILE A 106 -0.524 3.713 6.247 1.00 73.32 H new ATOM 0 HD13 ILE A 106 0.407 5.087 6.891 1.00 73.32 H new ATOM 1742 N ILE A 107 -3.497 7.548 3.214 1.00 1.12 N ATOM 1743 CA ILE A 107 -3.501 8.485 2.060 1.00 42.54 C ATOM 1744 C ILE A 107 -4.900 9.096 1.800 1.00 3.42 C ATOM 1745 O ILE A 107 -5.171 9.598 0.701 1.00 14.22 O ATOM 1746 CB ILE A 107 -2.948 7.775 0.765 1.00 34.45 C ATOM 1747 CG1 ILE A 107 -3.859 6.572 0.346 1.00 55.34 C ATOM 1748 CG2 ILE A 107 -1.487 7.312 0.992 1.00 22.34 C ATOM 1749 CD1 ILE A 107 -3.399 5.806 -0.885 1.00 15.25 C ATOM 0 H ILE A 107 -3.623 6.571 2.950 1.00 1.12 H new ATOM 0 HA ILE A 107 -2.838 9.312 2.316 1.00 42.54 H new ATOM 0 HB ILE A 107 -2.960 8.495 -0.053 1.00 34.45 H new ATOM 0 HG12 ILE A 107 -3.923 5.877 1.183 1.00 55.34 H new ATOM 0 HG13 ILE A 107 -4.867 6.946 0.165 1.00 55.34 H new ATOM 0 HG21 ILE A 107 -1.116 6.823 0.091 1.00 22.34 H new ATOM 0 HG22 ILE A 107 -0.863 8.176 1.219 1.00 22.34 H new ATOM 0 HG23 ILE A 107 -1.453 6.610 1.826 1.00 22.34 H new ATOM 0 HD11 ILE A 107 -4.097 4.994 -1.090 1.00 15.25 H new ATOM 0 HD12 ILE A 107 -3.364 6.480 -1.741 1.00 15.25 H new ATOM 0 HD13 ILE A 107 -2.406 5.394 -0.707 1.00 15.25 H new ATOM 1761 N SER A 108 -5.765 9.051 2.841 1.00 30.34 N ATOM 1762 CA SER A 108 -7.112 9.659 2.861 1.00 41.10 C ATOM 1763 C SER A 108 -8.097 8.855 1.985 1.00 42.01 C ATOM 1764 O SER A 108 -7.682 8.027 1.158 1.00 12.13 O ATOM 1765 CB SER A 108 -7.080 11.180 2.508 1.00 14.51 C ATOM 1766 OG SER A 108 -8.309 11.811 2.831 1.00 11.54 O ATOM 0 H SER A 108 -5.536 8.576 3.714 1.00 30.34 H new ATOM 0 HA SER A 108 -7.485 9.606 3.884 1.00 41.10 H new ATOM 0 HB2 SER A 108 -6.267 11.664 3.049 1.00 14.51 H new ATOM 0 HB3 SER A 108 -6.873 11.304 1.445 1.00 14.51 H new ATOM 0 HG SER A 108 -8.259 12.762 2.601 1.00 11.54 H new ATOM 1772 N ARG A 109 -9.405 9.131 2.170 1.00 32.44 N ATOM 1773 CA ARG A 109 -10.493 8.241 1.723 1.00 33.54 C ATOM 1774 C ARG A 109 -10.318 6.824 2.352 1.00 64.13 C ATOM 1775 O ARG A 109 -9.929 5.880 1.650 1.00 65.40 O ATOM 1776 CB ARG A 109 -10.609 8.173 0.158 1.00 0.41 C ATOM 1777 CG ARG A 109 -11.164 9.451 -0.509 1.00 1.33 C ATOM 1778 CD ARG A 109 -11.330 9.304 -2.038 1.00 24.50 C ATOM 1779 NE ARG A 109 -12.223 10.336 -2.594 1.00 51.35 N ATOM 1780 CZ ARG A 109 -11.848 11.434 -3.261 1.00 2.24 C ATOM 1781 NH1 ARG A 109 -10.555 11.692 -3.478 1.00 11.02 N ATOM 1782 NH2 ARG A 109 -12.789 12.250 -3.715 1.00 22.45 N ATOM 0 H ARG A 109 -9.735 9.978 2.634 1.00 32.44 H new ATOM 0 HA ARG A 109 -11.434 8.663 2.075 1.00 33.54 H new ATOM 0 HB2 ARG A 109 -9.623 7.964 -0.256 1.00 0.41 H new ATOM 0 HB3 ARG A 109 -11.251 7.334 -0.108 1.00 0.41 H new ATOM 0 HG2 ARG A 109 -12.129 9.697 -0.065 1.00 1.33 H new ATOM 0 HG3 ARG A 109 -10.494 10.285 -0.299 1.00 1.33 H new ATOM 0 HD2 ARG A 109 -10.354 9.372 -2.518 1.00 24.50 H new ATOM 0 HD3 ARG A 109 -11.730 8.316 -2.267 1.00 24.50 H new ATOM 0 HE ARG A 109 -13.225 10.200 -2.457 1.00 51.35 H new ATOM 0 HH11 ARG A 109 -9.842 11.049 -3.134 1.00 11.02 H new ATOM 0 HH12 ARG A 109 -10.281 12.532 -3.988 1.00 11.02 H new ATOM 0 HH21 ARG A 109 -13.773 12.034 -3.553 1.00 22.45 H new ATOM 0 HH22 ARG A 109 -12.529 13.093 -4.226 1.00 22.45 H new ATOM 1796 N PRO A 110 -10.525 6.681 3.716 1.00 44.54 N ATOM 1797 CA PRO A 110 -10.504 5.370 4.410 1.00 63.34 C ATOM 1798 C PRO A 110 -11.321 4.273 3.691 1.00 65.45 C ATOM 1799 O PRO A 110 -12.424 4.526 3.202 1.00 43.31 O ATOM 1800 CB PRO A 110 -11.087 5.676 5.829 1.00 12.20 C ATOM 1801 CG PRO A 110 -11.464 7.135 5.828 1.00 42.14 C ATOM 1802 CD PRO A 110 -10.692 7.779 4.702 1.00 71.13 C ATOM 0 HA PRO A 110 -9.494 4.962 4.439 1.00 63.34 H new ATOM 0 HB2 PRO A 110 -11.956 5.051 6.035 1.00 12.20 H new ATOM 0 HB3 PRO A 110 -10.351 5.465 6.605 1.00 12.20 H new ATOM 0 HG2 PRO A 110 -12.537 7.258 5.682 1.00 42.14 H new ATOM 0 HG3 PRO A 110 -11.217 7.600 6.783 1.00 42.14 H new ATOM 0 HD2 PRO A 110 -11.236 8.622 4.275 1.00 71.13 H new ATOM 0 HD3 PRO A 110 -9.730 8.160 5.043 1.00 71.13 H new ATOM 1810 N ALA A 111 -10.744 3.059 3.624 1.00 24.30 N ATOM 1811 CA ALA A 111 -11.393 1.878 3.028 1.00 51.05 C ATOM 1812 C ALA A 111 -12.459 1.296 3.991 1.00 64.34 C ATOM 1813 O ALA A 111 -12.804 1.919 5.006 1.00 71.43 O ATOM 1814 CB ALA A 111 -10.313 0.828 2.692 1.00 14.54 C ATOM 0 H ALA A 111 -9.809 2.869 3.984 1.00 24.30 H new ATOM 0 HA ALA A 111 -11.907 2.167 2.111 1.00 51.05 H new ATOM 0 HB1 ALA A 111 -10.784 -0.050 2.250 1.00 14.54 H new ATOM 0 HB2 ALA A 111 -9.601 1.252 1.984 1.00 14.54 H new ATOM 0 HB3 ALA A 111 -9.790 0.539 3.604 1.00 14.54 H new ATOM 1820 N ARG A 112 -12.982 0.104 3.655 1.00 41.50 N ATOM 1821 CA ARG A 112 -13.898 -0.657 4.524 1.00 21.25 C ATOM 1822 C ARG A 112 -13.322 -2.080 4.727 1.00 13.03 C ATOM 1823 O ARG A 112 -13.289 -2.862 3.753 1.00 13.54 O ATOM 1824 CB ARG A 112 -15.333 -0.698 3.917 1.00 13.21 C ATOM 1825 CG ARG A 112 -16.382 -1.387 4.819 1.00 31.42 C ATOM 1826 CD ARG A 112 -17.788 -1.437 4.198 1.00 13.40 C ATOM 1827 NE ARG A 112 -18.767 -2.007 5.137 1.00 40.31 N ATOM 1828 CZ ARG A 112 -19.916 -2.625 4.803 1.00 1.32 C ATOM 1829 NH1 ARG A 112 -20.264 -2.791 3.530 1.00 42.25 N ATOM 1830 NH2 ARG A 112 -20.713 -3.079 5.759 1.00 53.13 N ATOM 1831 OXT ARG A 112 -12.867 -2.402 5.849 1.00 38.06 O ATOM 0 H ARG A 112 -12.781 -0.361 2.770 1.00 41.50 H new ATOM 0 HA ARG A 112 -13.981 -0.166 5.494 1.00 21.25 H new ATOM 0 HB2 ARG A 112 -15.659 0.322 3.714 1.00 13.21 H new ATOM 0 HB3 ARG A 112 -15.296 -1.218 2.960 1.00 13.21 H new ATOM 0 HG2 ARG A 112 -16.052 -2.403 5.035 1.00 31.42 H new ATOM 0 HG3 ARG A 112 -16.433 -0.860 5.772 1.00 31.42 H new ATOM 0 HD2 ARG A 112 -18.098 -0.432 3.912 1.00 13.40 H new ATOM 0 HD3 ARG A 112 -17.764 -2.034 3.287 1.00 13.40 H new ATOM 0 HE ARG A 112 -18.556 -1.927 6.132 1.00 40.31 H new ATOM 0 HH11 ARG A 112 -19.656 -2.448 2.786 1.00 42.25 H new ATOM 0 HH12 ARG A 112 -21.138 -3.262 3.298 1.00 42.25 H new ATOM 0 HH21 ARG A 112 -20.454 -2.959 6.738 1.00 53.13 H new ATOM 0 HH22 ARG A 112 -21.585 -3.548 5.516 1.00 53.13 H new TER 1845 ARG A 112