USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 647 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 103 GLN : amide:sc= -0.22 X(o=-0.17,f=-0.0015) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 156:sc= 0.0547 (180deg=-0.825) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 116:sc= 1.3 USER MOD Single : A 32 THR OG1 : rot 20:sc= 0.37 USER MOD Single : A 36 SER OG : rot -67:sc= 0.073 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -132:sc= -0.328 (180deg=-2.78!) USER MOD Single : A 39 THR OG1 : rot -119:sc= -1.06 USER MOD Single : A 42 GLN : amide:sc= -0.224 K(o=-0.22,f=-3.4!) USER MOD Single : A 44 LYS NZ :NH3+ -124:sc= -0.12 (180deg=-0.884) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.623 K(o=-0.62,f=-1.4) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.76 K(o=-2.8,f=-4.5) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.342 USER MOD Single : A 79 SER OG : rot 64:sc= 0.726 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -73:sc= 0.0636 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 2.777 -2.189 -3.508 1.00 25.45 N ATOM 12 CA ILE A 2 3.776 -3.242 -3.364 1.00 14.14 C ATOM 13 C ILE A 2 5.129 -2.794 -3.904 1.00 41.53 C ATOM 14 O ILE A 2 6.177 -3.243 -3.438 1.00 72.04 O ATOM 15 CB ILE A 2 3.345 -4.529 -4.092 1.00 24.14 C ATOM 16 CG1 ILE A 2 4.434 -5.598 -3.970 1.00 53.31 C ATOM 17 CG2 ILE A 2 3.045 -4.235 -5.554 1.00 32.32 C ATOM 18 CD1 ILE A 2 4.810 -5.917 -2.540 1.00 70.02 C ATOM 0 HA ILE A 2 3.865 -3.450 -2.298 1.00 14.14 H new ATOM 0 HB ILE A 2 2.436 -4.907 -3.624 1.00 24.14 H new ATOM 0 HG12 ILE A 2 4.093 -6.510 -4.460 1.00 53.31 H new ATOM 0 HG13 ILE A 2 5.323 -5.263 -4.505 1.00 53.31 H new ATOM 0 HG21 ILE A 2 2.742 -5.154 -6.055 1.00 32.32 H new ATOM 0 HG22 ILE A 2 2.240 -3.503 -5.620 1.00 32.32 H new ATOM 0 HG23 ILE A 2 3.938 -3.837 -6.036 1.00 32.32 H new ATOM 0 HD11 ILE A 2 5.586 -6.682 -2.530 1.00 70.02 H new ATOM 0 HD12 ILE A 2 5.182 -5.016 -2.052 1.00 70.02 H new ATOM 0 HD13 ILE A 2 3.933 -6.283 -2.006 1.00 70.02 H new ATOM 30 N THR A 3 5.101 -1.902 -4.890 1.00 73.34 N ATOM 31 CA THR A 3 6.325 -1.392 -5.495 1.00 13.33 C ATOM 32 C THR A 3 7.274 -0.844 -4.435 1.00 50.02 C ATOM 33 O THR A 3 8.491 -0.843 -4.620 1.00 2.24 O ATOM 34 CB THR A 3 6.024 -0.283 -6.521 1.00 64.11 C ATOM 35 OG1 THR A 3 5.372 0.817 -5.877 1.00 41.12 O ATOM 36 CG2 THR A 3 5.148 -0.811 -7.647 1.00 13.23 C ATOM 0 H THR A 3 4.243 -1.518 -5.286 1.00 73.34 H new ATOM 0 HA THR A 3 6.799 -2.230 -6.006 1.00 13.33 H new ATOM 0 HB THR A 3 6.969 0.055 -6.946 1.00 64.11 H new ATOM 0 HG1 THR A 3 5.186 1.518 -6.536 1.00 41.12 H new ATOM 0 HG21 THR A 3 4.949 -0.010 -8.359 1.00 13.23 H new ATOM 0 HG22 THR A 3 5.661 -1.628 -8.154 1.00 13.23 H new ATOM 0 HG23 THR A 3 4.206 -1.173 -7.236 1.00 13.23 H new ATOM 44 N ASP A 4 6.710 -0.380 -3.326 1.00 1.15 N ATOM 45 CA ASP A 4 7.507 0.169 -2.235 1.00 2.22 C ATOM 46 C ASP A 4 8.541 -0.844 -1.754 1.00 4.10 C ATOM 47 O ASP A 4 9.572 -0.474 -1.191 1.00 41.40 O ATOM 48 CB ASP A 4 6.603 0.584 -1.073 1.00 3.50 C ATOM 49 CG ASP A 4 5.982 1.951 -1.283 1.00 11.33 C ATOM 50 OD1 ASP A 4 6.504 2.719 -2.118 1.00 60.15 O ATOM 51 OD2 ASP A 4 4.973 2.253 -0.612 1.00 1.21 O ATOM 0 H ASP A 4 5.704 -0.373 -3.158 1.00 1.15 H new ATOM 0 HA ASP A 4 8.032 1.048 -2.609 1.00 2.22 H new ATOM 0 HB2 ASP A 4 5.812 -0.156 -0.949 1.00 3.50 H new ATOM 0 HB3 ASP A 4 7.182 0.589 -0.150 1.00 3.50 H new ATOM 56 N ILE A 5 8.258 -2.123 -1.979 1.00 4.53 N ATOM 57 CA ILE A 5 9.164 -3.188 -1.568 1.00 61.43 C ATOM 58 C ILE A 5 9.737 -3.919 -2.778 1.00 35.40 C ATOM 59 O ILE A 5 10.952 -3.967 -2.970 1.00 63.32 O ATOM 60 CB ILE A 5 8.457 -4.207 -0.654 1.00 45.32 C ATOM 61 CG1 ILE A 5 7.290 -3.543 0.078 1.00 14.03 C ATOM 62 CG2 ILE A 5 9.445 -4.800 0.340 1.00 75.43 C ATOM 63 CD1 ILE A 5 6.586 -4.462 1.052 1.00 24.32 C ATOM 0 H ILE A 5 7.409 -2.446 -2.443 1.00 4.53 H new ATOM 0 HA ILE A 5 9.975 -2.716 -1.013 1.00 61.43 H new ATOM 0 HB ILE A 5 8.062 -5.015 -1.270 1.00 45.32 H new ATOM 0 HG12 ILE A 5 7.659 -2.670 0.617 1.00 14.03 H new ATOM 0 HG13 ILE A 5 6.569 -3.183 -0.656 1.00 14.03 H new ATOM 0 HG21 ILE A 5 8.931 -5.518 0.979 1.00 75.43 H new ATOM 0 HG22 ILE A 5 10.247 -5.303 -0.200 1.00 75.43 H new ATOM 0 HG23 ILE A 5 9.866 -4.004 0.954 1.00 75.43 H new ATOM 0 HD11 ILE A 5 5.770 -3.924 1.534 1.00 24.32 H new ATOM 0 HD12 ILE A 5 6.187 -5.323 0.516 1.00 24.32 H new ATOM 0 HD13 ILE A 5 7.294 -4.802 1.808 1.00 24.32 H new ATOM 75 N LEU A 6 8.853 -4.486 -3.592 1.00 61.41 N ATOM 76 CA LEU A 6 9.270 -5.214 -4.786 1.00 32.23 C ATOM 77 C LEU A 6 9.677 -4.251 -5.896 1.00 61.22 C ATOM 78 O LEU A 6 9.730 -3.039 -5.691 1.00 41.44 O ATOM 79 CB LEU A 6 8.140 -6.124 -5.273 1.00 4.23 C ATOM 80 CG LEU A 6 8.320 -7.619 -5.006 1.00 44.33 C ATOM 81 CD1 LEU A 6 8.801 -7.853 -3.583 1.00 22.14 C ATOM 82 CD2 LEU A 6 7.020 -8.366 -5.262 1.00 31.41 C ATOM 0 H LEU A 6 7.844 -4.456 -3.447 1.00 61.41 H new ATOM 0 HA LEU A 6 10.134 -5.825 -4.526 1.00 32.23 H new ATOM 0 HB2 LEU A 6 7.212 -5.800 -4.802 1.00 4.23 H new ATOM 0 HB3 LEU A 6 8.021 -5.979 -6.347 1.00 4.23 H new ATOM 0 HG LEU A 6 9.077 -8.003 -5.690 1.00 44.33 H new ATOM 0 HD11 LEU A 6 8.923 -8.922 -3.412 1.00 22.14 H new ATOM 0 HD12 LEU A 6 9.757 -7.350 -3.435 1.00 22.14 H new ATOM 0 HD13 LEU A 6 8.068 -7.454 -2.881 1.00 22.14 H new ATOM 0 HD21 LEU A 6 7.166 -9.428 -5.067 1.00 31.41 H new ATOM 0 HD22 LEU A 6 6.243 -7.980 -4.603 1.00 31.41 H new ATOM 0 HD23 LEU A 6 6.718 -8.226 -6.300 1.00 31.41 H new ATOM 94 N SER A 7 9.962 -4.800 -7.073 1.00 51.51 N ATOM 95 CA SER A 7 10.366 -3.989 -8.216 1.00 71.32 C ATOM 96 C SER A 7 9.353 -4.107 -9.351 1.00 33.03 C ATOM 97 O SER A 7 9.013 -5.208 -9.782 1.00 35.21 O ATOM 98 CB SER A 7 11.750 -4.417 -8.707 1.00 44.43 C ATOM 99 OG SER A 7 12.752 -3.525 -8.249 1.00 12.20 O ATOM 0 H SER A 7 9.921 -5.802 -7.260 1.00 51.51 H new ATOM 0 HA SER A 7 10.407 -2.948 -7.895 1.00 71.32 H new ATOM 0 HB2 SER A 7 11.968 -5.425 -8.356 1.00 44.43 H new ATOM 0 HB3 SER A 7 11.759 -4.450 -9.796 1.00 44.43 H new ATOM 0 HG SER A 7 13.627 -3.821 -8.575 1.00 12.20 H new ATOM 105 N ALA A 8 8.874 -2.963 -9.829 1.00 63.24 N ATOM 106 CA ALA A 8 7.902 -2.937 -10.915 1.00 12.42 C ATOM 107 C ALA A 8 8.494 -3.512 -12.197 1.00 2.40 C ATOM 108 O ALA A 8 7.769 -3.997 -13.065 1.00 71.13 O ATOM 109 CB ALA A 8 7.411 -1.516 -11.149 1.00 12.32 C ATOM 0 H ALA A 8 9.143 -2.043 -9.481 1.00 63.24 H new ATOM 0 HA ALA A 8 7.055 -3.560 -10.626 1.00 12.42 H new ATOM 0 HB1 ALA A 8 6.686 -1.511 -11.963 1.00 12.32 H new ATOM 0 HB2 ALA A 8 6.940 -1.140 -10.241 1.00 12.32 H new ATOM 0 HB3 ALA A 8 8.255 -0.878 -11.411 1.00 12.32 H new ATOM 115 N LYS A 9 9.817 -3.453 -12.310 1.00 73.12 N ATOM 116 CA LYS A 9 10.508 -3.968 -13.486 1.00 70.31 C ATOM 117 C LYS A 9 10.820 -5.453 -13.327 1.00 3.32 C ATOM 118 O LYS A 9 11.325 -6.093 -14.249 1.00 43.02 O ATOM 119 CB LYS A 9 11.802 -3.187 -13.726 1.00 12.22 C ATOM 120 CG LYS A 9 12.141 -3.008 -15.195 1.00 63.54 C ATOM 121 CD LYS A 9 11.328 -1.889 -15.824 1.00 31.32 C ATOM 122 CE LYS A 9 12.047 -1.281 -17.018 1.00 54.13 C ATOM 123 NZ LYS A 9 11.833 -2.077 -18.258 1.00 62.15 N ATOM 0 H LYS A 9 10.432 -3.053 -11.601 1.00 73.12 H new ATOM 0 HA LYS A 9 9.851 -3.843 -14.346 1.00 70.31 H new ATOM 0 HB2 LYS A 9 11.716 -2.206 -13.260 1.00 12.22 H new ATOM 0 HB3 LYS A 9 12.625 -3.704 -13.232 1.00 12.22 H new ATOM 0 HG2 LYS A 9 13.204 -2.790 -15.300 1.00 63.54 H new ATOM 0 HG3 LYS A 9 11.953 -3.940 -15.729 1.00 63.54 H new ATOM 0 HD2 LYS A 9 10.359 -2.275 -16.140 1.00 31.32 H new ATOM 0 HD3 LYS A 9 11.136 -1.115 -15.081 1.00 31.32 H new ATOM 0 HE2 LYS A 9 11.693 -0.262 -17.175 1.00 54.13 H new ATOM 0 HE3 LYS A 9 13.114 -1.219 -16.806 1.00 54.13 H new ATOM 0 HZ1 LYS A 9 12.339 -1.630 -19.049 1.00 62.15 H new ATOM 0 HZ2 LYS A 9 12.194 -3.042 -18.117 1.00 62.15 H new ATOM 0 HZ3 LYS A 9 10.817 -2.115 -18.475 1.00 62.15 H new ATOM 137 N ASP A 10 10.516 -5.994 -12.152 1.00 54.15 N ATOM 138 CA ASP A 10 10.762 -7.404 -11.874 1.00 34.04 C ATOM 139 C ASP A 10 9.448 -8.167 -11.730 1.00 43.32 C ATOM 140 O ASP A 10 9.357 -9.339 -12.096 1.00 21.02 O ATOM 141 CB ASP A 10 11.596 -7.556 -10.601 1.00 33.14 C ATOM 142 CG ASP A 10 12.926 -6.835 -10.691 1.00 1.15 C ATOM 143 OD1 ASP A 10 13.231 -6.286 -11.770 1.00 1.23 O ATOM 144 OD2 ASP A 10 13.663 -6.820 -9.682 1.00 71.30 O ATOM 0 H ASP A 10 10.099 -5.478 -11.377 1.00 54.15 H new ATOM 0 HA ASP A 10 11.315 -7.824 -12.714 1.00 34.04 H new ATOM 0 HB2 ASP A 10 11.032 -7.168 -9.752 1.00 33.14 H new ATOM 0 HB3 ASP A 10 11.772 -8.615 -10.410 1.00 33.14 H new ATOM 149 N ILE A 11 8.435 -7.494 -11.195 1.00 72.23 N ATOM 150 CA ILE A 11 7.127 -8.109 -11.004 1.00 1.22 C ATOM 151 C ILE A 11 6.517 -8.530 -12.337 1.00 22.15 C ATOM 152 O ILE A 11 6.050 -9.658 -12.487 1.00 31.42 O ATOM 153 CB ILE A 11 6.155 -7.153 -10.287 1.00 24.13 C ATOM 154 CG1 ILE A 11 6.675 -6.818 -8.887 1.00 44.33 C ATOM 155 CG2 ILE A 11 4.767 -7.770 -10.208 1.00 20.20 C ATOM 156 CD1 ILE A 11 6.310 -5.425 -8.425 1.00 11.42 C ATOM 0 H ILE A 11 8.495 -6.524 -10.886 1.00 72.23 H new ATOM 0 HA ILE A 11 7.281 -8.991 -10.383 1.00 1.22 H new ATOM 0 HB ILE A 11 6.088 -6.229 -10.861 1.00 24.13 H new ATOM 0 HG12 ILE A 11 6.277 -7.543 -8.177 1.00 44.33 H new ATOM 0 HG13 ILE A 11 7.760 -6.923 -8.876 1.00 44.33 H new ATOM 0 HG21 ILE A 11 4.092 -7.083 -9.699 1.00 20.20 H new ATOM 0 HG22 ILE A 11 4.397 -7.963 -11.215 1.00 20.20 H new ATOM 0 HG23 ILE A 11 4.816 -8.707 -9.654 1.00 20.20 H new ATOM 0 HD11 ILE A 11 6.711 -5.256 -7.425 1.00 11.42 H new ATOM 0 HD12 ILE A 11 6.731 -4.692 -9.113 1.00 11.42 H new ATOM 0 HD13 ILE A 11 5.225 -5.322 -8.403 1.00 11.42 H new ATOM 168 N GLU A 12 6.527 -7.616 -13.301 1.00 44.53 N ATOM 169 CA GLU A 12 5.976 -7.893 -14.622 1.00 72.42 C ATOM 170 C GLU A 12 6.872 -8.858 -15.394 1.00 34.21 C ATOM 171 O GLU A 12 6.404 -9.601 -16.256 1.00 73.44 O ATOM 172 CB GLU A 12 5.807 -6.594 -15.412 1.00 60.15 C ATOM 173 CG GLU A 12 7.106 -6.063 -15.995 1.00 72.25 C ATOM 174 CD GLU A 12 7.026 -4.592 -16.353 1.00 3.30 C ATOM 175 OE1 GLU A 12 6.167 -3.888 -15.783 1.00 52.32 O ATOM 176 OE2 GLU A 12 7.825 -4.144 -17.203 1.00 33.41 O ATOM 0 H GLU A 12 6.911 -6.677 -13.192 1.00 44.53 H new ATOM 0 HA GLU A 12 4.999 -8.358 -14.489 1.00 72.42 H new ATOM 0 HB2 GLU A 12 5.097 -6.761 -16.222 1.00 60.15 H new ATOM 0 HB3 GLU A 12 5.374 -5.835 -14.760 1.00 60.15 H new ATOM 0 HG2 GLU A 12 7.911 -6.215 -15.276 1.00 72.25 H new ATOM 0 HG3 GLU A 12 7.361 -6.637 -16.886 1.00 72.25 H new ATOM 183 N SER A 13 8.162 -8.840 -15.077 1.00 44.22 N ATOM 184 CA SER A 13 9.125 -9.709 -15.743 1.00 63.11 C ATOM 185 C SER A 13 9.096 -11.112 -15.144 1.00 54.01 C ATOM 186 O SER A 13 9.780 -12.017 -15.620 1.00 44.34 O ATOM 187 CB SER A 13 10.535 -9.124 -15.631 1.00 74.44 C ATOM 188 OG SER A 13 10.597 -7.830 -16.204 1.00 55.25 O ATOM 0 H SER A 13 8.565 -8.233 -14.363 1.00 44.22 H new ATOM 0 HA SER A 13 8.849 -9.776 -16.795 1.00 63.11 H new ATOM 0 HB2 SER A 13 10.830 -9.075 -14.583 1.00 74.44 H new ATOM 0 HB3 SER A 13 11.246 -9.781 -16.132 1.00 74.44 H new ATOM 0 HG SER A 13 10.810 -7.174 -15.508 1.00 55.25 H new ATOM 194 N ALA A 14 8.297 -11.284 -14.096 1.00 73.31 N ATOM 195 CA ALA A 14 8.175 -12.576 -13.432 1.00 62.34 C ATOM 196 C ALA A 14 6.743 -13.096 -13.500 1.00 40.31 C ATOM 197 O ALA A 14 6.510 -14.305 -13.514 1.00 23.21 O ATOM 198 CB ALA A 14 8.633 -12.471 -11.985 1.00 73.31 C ATOM 0 H ALA A 14 7.724 -10.545 -13.689 1.00 73.31 H new ATOM 0 HA ALA A 14 8.816 -13.287 -13.954 1.00 62.34 H new ATOM 0 HB1 ALA A 14 8.536 -13.443 -11.501 1.00 73.31 H new ATOM 0 HB2 ALA A 14 9.675 -12.153 -11.955 1.00 73.31 H new ATOM 0 HB3 ALA A 14 8.016 -11.742 -11.460 1.00 73.31 H new ATOM 455 N THR A 32 14.109 -12.671 -11.211 1.00 50.13 N ATOM 456 CA THR A 32 12.838 -12.916 -10.542 1.00 10.25 C ATOM 457 C THR A 32 12.242 -11.621 -10.002 1.00 42.50 C ATOM 458 O THR A 32 12.943 -10.620 -9.849 1.00 13.25 O ATOM 459 CB THR A 32 12.998 -13.916 -9.381 1.00 70.33 C ATOM 460 OG1 THR A 32 13.920 -14.948 -9.748 1.00 64.31 O ATOM 461 CG2 THR A 32 11.658 -14.535 -9.011 1.00 42.52 C ATOM 0 HA THR A 32 12.165 -13.340 -11.288 1.00 10.25 H new ATOM 0 HB THR A 32 13.382 -13.376 -8.516 1.00 70.33 H new ATOM 0 HG1 THR A 32 14.477 -14.639 -10.493 1.00 64.31 H new ATOM 0 HG21 THR A 32 11.796 -15.238 -8.189 1.00 42.52 H new ATOM 0 HG22 THR A 32 10.967 -13.750 -8.705 1.00 42.52 H new ATOM 0 HG23 THR A 32 11.250 -15.062 -9.874 1.00 42.52 H new ATOM 469 N VAL A 33 10.945 -11.646 -9.715 1.00 14.11 N ATOM 470 CA VAL A 33 10.255 -10.473 -9.190 1.00 74.53 C ATOM 471 C VAL A 33 11.000 -9.885 -7.998 1.00 31.14 C ATOM 472 O VAL A 33 11.016 -8.671 -7.799 1.00 74.04 O ATOM 473 CB VAL A 33 8.814 -10.814 -8.764 1.00 41.24 C ATOM 474 CG1 VAL A 33 8.796 -12.054 -7.884 1.00 63.21 C ATOM 475 CG2 VAL A 33 8.178 -9.632 -8.048 1.00 35.40 C ATOM 0 H VAL A 33 10.350 -12.466 -9.837 1.00 14.11 H new ATOM 0 HA VAL A 33 10.224 -9.737 -9.994 1.00 74.53 H new ATOM 0 HB VAL A 33 8.229 -11.026 -9.659 1.00 41.24 H new ATOM 0 HG11 VAL A 33 7.770 -12.279 -7.593 1.00 63.21 H new ATOM 0 HG12 VAL A 33 9.210 -12.898 -8.436 1.00 63.21 H new ATOM 0 HG13 VAL A 33 9.395 -11.875 -6.991 1.00 63.21 H new ATOM 0 HG21 VAL A 33 7.161 -9.889 -7.754 1.00 35.40 H new ATOM 0 HG22 VAL A 33 8.761 -9.387 -7.160 1.00 35.40 H new ATOM 0 HG23 VAL A 33 8.156 -8.771 -8.716 1.00 35.40 H new ATOM 485 N GLY A 34 11.618 -10.755 -7.205 1.00 23.41 N ATOM 486 CA GLY A 34 12.358 -10.303 -6.041 1.00 71.21 C ATOM 487 C GLY A 34 11.858 -10.932 -4.756 1.00 31.41 C ATOM 488 O GLY A 34 12.640 -11.205 -3.844 1.00 72.31 O ATOM 0 H GLY A 34 11.619 -11.765 -7.348 1.00 23.41 H new ATOM 0 HA2 GLY A 34 13.414 -10.540 -6.171 1.00 71.21 H new ATOM 0 HA3 GLY A 34 12.282 -9.218 -5.965 1.00 71.21 H new ATOM 492 N LEU A 35 10.552 -11.162 -4.681 1.00 34.11 N ATOM 493 CA LEU A 35 9.947 -11.762 -3.496 1.00 41.14 C ATOM 494 C LEU A 35 10.690 -13.030 -3.089 1.00 33.31 C ATOM 495 O LEU A 35 11.159 -13.151 -1.957 1.00 55.32 O ATOM 496 CB LEU A 35 8.474 -12.081 -3.758 1.00 21.34 C ATOM 497 CG LEU A 35 7.466 -11.413 -2.822 1.00 22.23 C ATOM 498 CD1 LEU A 35 6.077 -11.995 -3.030 1.00 72.34 C ATOM 499 CD2 LEU A 35 7.900 -11.570 -1.372 1.00 12.05 C ATOM 0 H LEU A 35 9.891 -10.942 -5.426 1.00 34.11 H new ATOM 0 HA LEU A 35 10.017 -11.044 -2.679 1.00 41.14 H new ATOM 0 HB2 LEU A 35 8.237 -11.791 -4.782 1.00 21.34 H new ATOM 0 HB3 LEU A 35 8.340 -13.161 -3.693 1.00 21.34 H new ATOM 0 HG LEU A 35 7.431 -10.349 -3.057 1.00 22.23 H new ATOM 0 HD11 LEU A 35 5.373 -11.507 -2.355 1.00 72.34 H new ATOM 0 HD12 LEU A 35 5.764 -11.831 -4.061 1.00 72.34 H new ATOM 0 HD13 LEU A 35 6.096 -13.065 -2.823 1.00 72.34 H new ATOM 0 HD21 LEU A 35 7.171 -11.089 -0.720 1.00 12.05 H new ATOM 0 HD22 LEU A 35 7.965 -12.629 -1.124 1.00 12.05 H new ATOM 0 HD23 LEU A 35 8.876 -11.104 -1.232 1.00 12.05 H new ATOM 511 N SER A 36 10.795 -13.973 -4.020 1.00 33.32 N ATOM 512 CA SER A 36 11.479 -15.234 -3.757 1.00 42.22 C ATOM 513 C SER A 36 12.965 -15.002 -3.498 1.00 52.44 C ATOM 514 O SER A 36 13.658 -15.872 -2.971 1.00 53.40 O ATOM 515 CB SER A 36 11.299 -16.192 -4.936 1.00 40.34 C ATOM 516 OG SER A 36 9.941 -16.570 -5.083 1.00 42.35 O ATOM 0 H SER A 36 10.415 -13.888 -4.963 1.00 33.32 H new ATOM 0 HA SER A 36 11.037 -15.679 -2.866 1.00 42.22 H new ATOM 0 HB2 SER A 36 11.648 -15.716 -5.852 1.00 40.34 H new ATOM 0 HB3 SER A 36 11.913 -17.080 -4.784 1.00 40.34 H new ATOM 0 HG SER A 36 9.668 -17.114 -4.315 1.00 42.35 H new ATOM 522 N SER A 37 13.447 -13.821 -3.874 1.00 31.20 N ATOM 523 CA SER A 37 14.851 -13.474 -3.687 1.00 31.43 C ATOM 524 C SER A 37 15.006 -12.397 -2.618 1.00 24.14 C ATOM 525 O SER A 37 15.985 -11.650 -2.609 1.00 61.24 O ATOM 526 CB SER A 37 15.459 -12.992 -5.005 1.00 61.11 C ATOM 527 OG SER A 37 16.851 -13.255 -5.051 1.00 11.22 O ATOM 0 H SER A 37 12.886 -13.089 -4.310 1.00 31.20 H new ATOM 0 HA SER A 37 15.380 -14.368 -3.357 1.00 31.43 H new ATOM 0 HB2 SER A 37 14.964 -13.488 -5.840 1.00 61.11 H new ATOM 0 HB3 SER A 37 15.284 -11.922 -5.120 1.00 61.11 H new ATOM 0 HG SER A 37 17.216 -12.939 -5.904 1.00 11.22 H new ATOM 533 N LYS A 38 14.033 -12.323 -1.716 1.00 4.22 N ATOM 534 CA LYS A 38 14.060 -11.339 -0.640 1.00 41.21 C ATOM 535 C LYS A 38 14.355 -12.005 0.700 1.00 64.43 C ATOM 536 O LYS A 38 14.532 -13.222 0.775 1.00 75.02 O ATOM 537 CB LYS A 38 12.725 -10.595 -0.568 1.00 53.14 C ATOM 538 CG LYS A 38 12.613 -9.449 -1.559 1.00 0.33 C ATOM 539 CD LYS A 38 12.902 -8.111 -0.898 1.00 61.03 C ATOM 540 CE LYS A 38 12.863 -6.972 -1.906 1.00 21.13 C ATOM 541 NZ LYS A 38 12.361 -5.710 -1.296 1.00 40.53 N ATOM 0 H LYS A 38 13.216 -12.933 -1.709 1.00 4.22 H new ATOM 0 HA LYS A 38 14.856 -10.626 -0.854 1.00 41.21 H new ATOM 0 HB2 LYS A 38 11.915 -11.301 -0.749 1.00 53.14 H new ATOM 0 HB3 LYS A 38 12.589 -10.206 0.441 1.00 53.14 H new ATOM 0 HG2 LYS A 38 13.311 -9.608 -2.381 1.00 0.33 H new ATOM 0 HG3 LYS A 38 11.611 -9.435 -1.989 1.00 0.33 H new ATOM 0 HD2 LYS A 38 12.171 -7.927 -0.111 1.00 61.03 H new ATOM 0 HD3 LYS A 38 13.882 -8.143 -0.421 1.00 61.03 H new ATOM 0 HE2 LYS A 38 13.863 -6.809 -2.308 1.00 21.13 H new ATOM 0 HE3 LYS A 38 12.224 -7.250 -2.744 1.00 21.13 H new ATOM 0 HZ1 LYS A 38 11.633 -5.293 -1.911 1.00 40.53 H new ATOM 0 HZ2 LYS A 38 11.950 -5.915 -0.363 1.00 40.53 H new ATOM 0 HZ3 LYS A 38 13.149 -5.039 -1.188 1.00 40.53 H new ATOM 555 N THR A 39 14.407 -11.201 1.757 1.00 31.32 N ATOM 556 CA THR A 39 14.680 -11.713 3.094 1.00 22.21 C ATOM 557 C THR A 39 13.389 -12.081 3.816 1.00 23.25 C ATOM 558 O THR A 39 12.313 -11.565 3.516 1.00 13.12 O ATOM 559 CB THR A 39 15.454 -10.686 3.942 1.00 65.15 C ATOM 560 OG1 THR A 39 16.661 -11.273 4.441 1.00 63.11 O ATOM 561 CG2 THR A 39 14.605 -10.194 5.104 1.00 45.52 C ATOM 0 H THR A 39 14.264 -10.192 1.713 1.00 31.32 H new ATOM 0 HA THR A 39 15.292 -12.607 2.971 1.00 22.21 H new ATOM 0 HB THR A 39 15.700 -9.835 3.307 1.00 65.15 H new ATOM 0 HG1 THR A 39 16.646 -11.269 5.421 1.00 63.11 H new ATOM 0 HG21 THR A 39 15.173 -9.470 5.688 1.00 45.52 H new ATOM 0 HG22 THR A 39 13.701 -9.721 4.720 1.00 45.52 H new ATOM 0 HG23 THR A 39 14.332 -11.038 5.738 1.00 45.52 H new ATOM 569 N PRO A 40 13.496 -12.995 4.793 1.00 43.32 N ATOM 570 CA PRO A 40 12.347 -13.451 5.579 1.00 34.14 C ATOM 571 C PRO A 40 11.818 -12.369 6.515 1.00 24.43 C ATOM 572 O PRO A 40 12.014 -12.436 7.729 1.00 14.11 O ATOM 573 CB PRO A 40 12.911 -14.625 6.383 1.00 35.24 C ATOM 574 CG PRO A 40 14.371 -14.350 6.482 1.00 63.12 C ATOM 575 CD PRO A 40 14.748 -13.652 5.204 1.00 1.14 C ATOM 0 HA PRO A 40 11.500 -13.717 4.946 1.00 34.14 H new ATOM 0 HB2 PRO A 40 12.452 -14.686 7.370 1.00 35.24 H new ATOM 0 HB3 PRO A 40 12.720 -15.575 5.884 1.00 35.24 H new ATOM 0 HG2 PRO A 40 14.593 -13.726 7.348 1.00 63.12 H new ATOM 0 HG3 PRO A 40 14.935 -15.275 6.603 1.00 63.12 H new ATOM 0 HD2 PRO A 40 15.548 -12.929 5.362 1.00 1.14 H new ATOM 0 HD3 PRO A 40 15.099 -14.356 4.450 1.00 1.14 H new ATOM 583 N ASP A 41 11.149 -11.375 5.944 1.00 52.42 N ATOM 584 CA ASP A 41 10.591 -10.279 6.728 1.00 53.22 C ATOM 585 C ASP A 41 9.728 -9.371 5.856 1.00 22.32 C ATOM 586 O ASP A 41 8.653 -8.939 6.269 1.00 14.11 O ATOM 587 CB ASP A 41 11.711 -9.467 7.379 1.00 45.34 C ATOM 588 CG ASP A 41 11.276 -8.816 8.677 1.00 23.42 C ATOM 589 OD1 ASP A 41 10.077 -8.909 9.015 1.00 42.55 O ATOM 590 OD2 ASP A 41 12.135 -8.216 9.357 1.00 71.35 O ATOM 0 H ASP A 41 10.979 -11.305 4.941 1.00 52.42 H new ATOM 0 HA ASP A 41 9.963 -10.707 7.509 1.00 53.22 H new ATOM 0 HB2 ASP A 41 12.564 -10.118 7.571 1.00 45.34 H new ATOM 0 HB3 ASP A 41 12.048 -8.697 6.685 1.00 45.34 H new ATOM 595 N GLN A 42 10.209 -9.087 4.650 1.00 13.31 N ATOM 596 CA GLN A 42 9.482 -8.229 3.722 1.00 71.04 C ATOM 597 C GLN A 42 8.418 -9.021 2.968 1.00 12.45 C ATOM 598 O GLN A 42 7.410 -8.464 2.531 1.00 45.04 O ATOM 599 CB GLN A 42 10.449 -7.580 2.730 1.00 60.21 C ATOM 600 CG GLN A 42 11.634 -6.897 3.394 1.00 73.12 C ATOM 601 CD GLN A 42 11.234 -6.089 4.612 1.00 14.42 C ATOM 602 OE1 GLN A 42 11.371 -6.546 5.747 1.00 0.33 O ATOM 603 NE2 GLN A 42 10.735 -4.879 4.383 1.00 21.41 N ATOM 0 H GLN A 42 11.098 -9.438 4.293 1.00 13.31 H new ATOM 0 HA GLN A 42 8.987 -7.449 4.300 1.00 71.04 H new ATOM 0 HB2 GLN A 42 10.817 -8.342 2.043 1.00 60.21 H new ATOM 0 HB3 GLN A 42 9.906 -6.848 2.132 1.00 60.21 H new ATOM 0 HG2 GLN A 42 12.366 -7.650 3.687 1.00 73.12 H new ATOM 0 HG3 GLN A 42 12.122 -6.242 2.672 1.00 73.12 H new ATOM 0 HE21 GLN A 42 10.639 -4.540 3.426 1.00 21.41 H new ATOM 0 HE22 GLN A 42 10.448 -4.289 5.164 1.00 21.41 H new ATOM 612 N ILE A 43 8.648 -10.321 2.821 1.00 4.22 N ATOM 613 CA ILE A 43 7.709 -11.188 2.122 1.00 70.34 C ATOM 614 C ILE A 43 6.324 -11.124 2.756 1.00 12.40 C ATOM 615 O ILE A 43 5.324 -10.908 2.071 1.00 70.24 O ATOM 616 CB ILE A 43 8.191 -12.651 2.116 1.00 72.14 C ATOM 617 CG1 ILE A 43 9.581 -12.750 1.485 1.00 62.43 C ATOM 618 CG2 ILE A 43 7.200 -13.532 1.369 1.00 42.11 C ATOM 619 CD1 ILE A 43 10.193 -14.130 1.584 1.00 75.52 C ATOM 0 H ILE A 43 9.477 -10.797 3.177 1.00 4.22 H new ATOM 0 HA ILE A 43 7.652 -10.828 1.095 1.00 70.34 H new ATOM 0 HB ILE A 43 8.254 -13.002 3.146 1.00 72.14 H new ATOM 0 HG12 ILE A 43 9.516 -12.465 0.435 1.00 62.43 H new ATOM 0 HG13 ILE A 43 10.243 -12.032 1.969 1.00 62.43 H new ATOM 0 HG21 ILE A 43 7.554 -14.563 1.373 1.00 42.11 H new ATOM 0 HG22 ILE A 43 6.227 -13.481 1.858 1.00 42.11 H new ATOM 0 HG23 ILE A 43 7.108 -13.184 0.340 1.00 42.11 H new ATOM 0 HD11 ILE A 43 11.177 -14.126 1.116 1.00 75.52 H new ATOM 0 HD12 ILE A 43 10.291 -14.410 2.633 1.00 75.52 H new ATOM 0 HD13 ILE A 43 9.552 -14.850 1.074 1.00 75.52 H new ATOM 631 N LYS A 44 6.272 -11.310 4.071 1.00 70.04 N ATOM 632 CA LYS A 44 5.010 -11.270 4.800 1.00 23.03 C ATOM 633 C LYS A 44 4.271 -9.962 4.538 1.00 3.41 C ATOM 634 O LYS A 44 3.042 -9.931 4.484 1.00 13.12 O ATOM 635 CB LYS A 44 5.260 -11.435 6.301 1.00 20.21 C ATOM 636 CG LYS A 44 6.407 -10.588 6.824 1.00 42.23 C ATOM 637 CD LYS A 44 6.296 -10.362 8.322 1.00 12.41 C ATOM 638 CE LYS A 44 6.479 -11.658 9.097 1.00 51.25 C ATOM 639 NZ LYS A 44 5.187 -12.372 9.295 1.00 25.33 N ATOM 0 H LYS A 44 7.090 -11.490 4.654 1.00 70.04 H new ATOM 0 HA LYS A 44 4.389 -12.094 4.448 1.00 23.03 H new ATOM 0 HB2 LYS A 44 4.351 -11.175 6.843 1.00 20.21 H new ATOM 0 HB3 LYS A 44 5.468 -12.484 6.513 1.00 20.21 H new ATOM 0 HG2 LYS A 44 7.354 -11.078 6.598 1.00 42.23 H new ATOM 0 HG3 LYS A 44 6.415 -9.627 6.310 1.00 42.23 H new ATOM 0 HD2 LYS A 44 7.047 -9.639 8.638 1.00 12.41 H new ATOM 0 HD3 LYS A 44 5.322 -9.932 8.555 1.00 12.41 H new ATOM 0 HE2 LYS A 44 7.174 -12.306 8.563 1.00 51.25 H new ATOM 0 HE3 LYS A 44 6.927 -11.441 10.067 1.00 51.25 H new ATOM 0 HZ1 LYS A 44 5.033 -12.535 10.310 1.00 25.33 H new ATOM 0 HZ2 LYS A 44 4.410 -11.795 8.915 1.00 25.33 H new ATOM 0 HZ3 LYS A 44 5.215 -13.285 8.798 1.00 25.33 H new ATOM 653 N LYS A 45 5.029 -8.882 4.374 1.00 33.33 N ATOM 654 CA LYS A 45 4.447 -7.571 4.115 1.00 53.13 C ATOM 655 C LYS A 45 3.817 -7.520 2.726 1.00 34.35 C ATOM 656 O LYS A 45 2.973 -6.668 2.447 1.00 21.23 O ATOM 657 CB LYS A 45 5.515 -6.482 4.242 1.00 74.04 C ATOM 658 CG LYS A 45 6.011 -6.280 5.663 1.00 65.13 C ATOM 659 CD LYS A 45 4.907 -5.767 6.572 1.00 44.01 C ATOM 660 CE LYS A 45 5.402 -5.580 7.998 1.00 12.21 C ATOM 661 NZ LYS A 45 5.764 -4.163 8.278 1.00 44.11 N ATOM 0 H LYS A 45 6.048 -8.890 4.416 1.00 33.33 H new ATOM 0 HA LYS A 45 3.667 -7.395 4.856 1.00 53.13 H new ATOM 0 HB2 LYS A 45 6.361 -6.738 3.604 1.00 74.04 H new ATOM 0 HB3 LYS A 45 5.109 -5.541 3.871 1.00 74.04 H new ATOM 0 HG2 LYS A 45 6.395 -7.223 6.052 1.00 65.13 H new ATOM 0 HG3 LYS A 45 6.841 -5.573 5.663 1.00 65.13 H new ATOM 0 HD2 LYS A 45 4.530 -4.819 6.189 1.00 44.01 H new ATOM 0 HD3 LYS A 45 4.072 -6.468 6.564 1.00 44.01 H new ATOM 0 HE2 LYS A 45 4.629 -5.902 8.696 1.00 12.21 H new ATOM 0 HE3 LYS A 45 6.270 -6.217 8.168 1.00 12.21 H new ATOM 0 HZ1 LYS A 45 6.097 -4.077 9.260 1.00 44.11 H new ATOM 0 HZ2 LYS A 45 6.519 -3.863 7.629 1.00 44.11 H new ATOM 0 HZ3 LYS A 45 4.929 -3.558 8.141 1.00 44.11 H new ATOM 675 N VAL A 46 4.231 -8.439 1.860 1.00 75.42 N ATOM 676 CA VAL A 46 3.705 -8.501 0.501 1.00 15.04 C ATOM 677 C VAL A 46 2.446 -9.359 0.438 1.00 63.43 C ATOM 678 O VAL A 46 1.639 -9.230 -0.483 1.00 1.41 O ATOM 679 CB VAL A 46 4.749 -9.066 -0.480 1.00 33.44 C ATOM 680 CG1 VAL A 46 4.169 -9.156 -1.883 1.00 62.51 C ATOM 681 CG2 VAL A 46 6.008 -8.213 -0.468 1.00 13.35 C ATOM 0 H VAL A 46 4.929 -9.151 2.075 1.00 75.42 H new ATOM 0 HA VAL A 46 3.460 -7.480 0.209 1.00 15.04 H new ATOM 0 HB VAL A 46 5.017 -10.072 -0.158 1.00 33.44 H new ATOM 0 HG11 VAL A 46 4.921 -9.557 -2.562 1.00 62.51 H new ATOM 0 HG12 VAL A 46 3.299 -9.813 -1.876 1.00 62.51 H new ATOM 0 HG13 VAL A 46 3.871 -8.163 -2.218 1.00 62.51 H new ATOM 0 HG21 VAL A 46 6.735 -8.627 -1.167 1.00 13.35 H new ATOM 0 HG22 VAL A 46 5.760 -7.194 -0.764 1.00 13.35 H new ATOM 0 HG23 VAL A 46 6.433 -8.206 0.536 1.00 13.35 H new ATOM 691 N PHE A 47 2.285 -10.237 1.423 1.00 52.14 N ATOM 692 CA PHE A 47 1.124 -11.118 1.479 1.00 62.12 C ATOM 693 C PHE A 47 -0.100 -10.373 2.002 1.00 1.53 C ATOM 694 O PHE A 47 -1.229 -10.653 1.602 1.00 10.24 O ATOM 695 CB PHE A 47 1.418 -12.327 2.369 1.00 62.41 C ATOM 696 CG PHE A 47 0.252 -12.744 3.219 1.00 52.23 C ATOM 697 CD1 PHE A 47 -0.770 -13.513 2.686 1.00 32.44 C ATOM 698 CD2 PHE A 47 0.178 -12.366 4.550 1.00 74.33 C ATOM 699 CE1 PHE A 47 -1.845 -13.897 3.466 1.00 21.21 C ATOM 700 CE2 PHE A 47 -0.895 -12.748 5.334 1.00 5.44 C ATOM 701 CZ PHE A 47 -1.907 -13.515 4.792 1.00 44.11 C ATOM 0 H PHE A 47 2.943 -10.357 2.193 1.00 52.14 H new ATOM 0 HA PHE A 47 0.912 -11.463 0.467 1.00 62.12 H new ATOM 0 HB2 PHE A 47 1.718 -13.166 1.741 1.00 62.41 H new ATOM 0 HB3 PHE A 47 2.264 -12.095 3.016 1.00 62.41 H new ATOM 0 HD1 PHE A 47 -0.726 -13.816 1.650 1.00 32.44 H new ATOM 0 HD2 PHE A 47 0.967 -11.767 4.980 1.00 74.33 H new ATOM 0 HE1 PHE A 47 -2.636 -14.495 3.039 1.00 21.21 H new ATOM 0 HE2 PHE A 47 -0.941 -12.446 6.370 1.00 5.44 H new ATOM 0 HZ PHE A 47 -2.745 -13.816 5.403 1.00 44.11 H new ATOM 711 N GLY A 48 0.134 -9.421 2.901 1.00 13.21 N ATOM 712 CA GLY A 48 -0.958 -8.650 3.466 1.00 54.21 C ATOM 713 C GLY A 48 -1.816 -7.995 2.402 1.00 55.40 C ATOM 714 O GLY A 48 -2.976 -7.663 2.648 1.00 15.23 O ATOM 0 H GLY A 48 1.060 -9.170 3.248 1.00 13.21 H new ATOM 0 HA2 GLY A 48 -1.580 -9.302 4.079 1.00 54.21 H new ATOM 0 HA3 GLY A 48 -0.554 -7.882 4.126 1.00 54.21 H new ATOM 718 N ILE A 49 -1.246 -7.806 1.217 1.00 23.10 N ATOM 719 CA ILE A 49 -1.966 -7.186 0.112 1.00 14.55 C ATOM 720 C ILE A 49 -2.966 -8.157 -0.506 1.00 54.51 C ATOM 721 O ILE A 49 -4.121 -7.804 -0.750 1.00 33.34 O ATOM 722 CB ILE A 49 -1.002 -6.692 -0.982 1.00 72.35 C ATOM 723 CG1 ILE A 49 0.159 -5.915 -0.358 1.00 75.12 C ATOM 724 CG2 ILE A 49 -1.744 -5.828 -1.991 1.00 41.11 C ATOM 725 CD1 ILE A 49 1.188 -5.454 -1.366 1.00 1.12 C ATOM 0 H ILE A 49 -0.287 -8.074 0.997 1.00 23.10 H new ATOM 0 HA ILE A 49 -2.502 -6.331 0.525 1.00 14.55 H new ATOM 0 HB ILE A 49 -0.595 -7.558 -1.504 1.00 72.35 H new ATOM 0 HG12 ILE A 49 -0.237 -5.046 0.168 1.00 75.12 H new ATOM 0 HG13 ILE A 49 0.648 -6.543 0.387 1.00 75.12 H new ATOM 0 HG21 ILE A 49 -1.049 -5.486 -2.758 1.00 41.11 H new ATOM 0 HG22 ILE A 49 -2.539 -6.412 -2.455 1.00 41.11 H new ATOM 0 HG23 ILE A 49 -2.177 -4.966 -1.483 1.00 41.11 H new ATOM 0 HD11 ILE A 49 1.981 -4.910 -0.853 1.00 1.12 H new ATOM 0 HD12 ILE A 49 1.612 -6.320 -1.875 1.00 1.12 H new ATOM 0 HD13 ILE A 49 0.713 -4.799 -2.097 1.00 1.12 H new ATOM 737 N LEU A 50 -2.516 -9.381 -0.757 1.00 10.14 N ATOM 738 CA LEU A 50 -3.372 -10.405 -1.345 1.00 62.23 C ATOM 739 C LEU A 50 -4.715 -10.472 -0.626 1.00 11.01 C ATOM 740 O LEU A 50 -5.766 -10.260 -1.231 1.00 60.24 O ATOM 741 CB LEU A 50 -2.681 -11.769 -1.288 1.00 74.11 C ATOM 742 CG LEU A 50 -1.158 -11.756 -1.420 1.00 30.34 C ATOM 743 CD1 LEU A 50 -0.616 -13.176 -1.482 1.00 43.35 C ATOM 744 CD2 LEU A 50 -0.736 -10.967 -2.650 1.00 64.02 C ATOM 0 H LEU A 50 -1.563 -9.689 -0.563 1.00 10.14 H new ATOM 0 HA LEU A 50 -3.552 -10.139 -2.386 1.00 62.23 H new ATOM 0 HB2 LEU A 50 -2.940 -12.246 -0.342 1.00 74.11 H new ATOM 0 HB3 LEU A 50 -3.089 -12.394 -2.082 1.00 74.11 H new ATOM 0 HG LEU A 50 -0.740 -11.268 -0.540 1.00 30.34 H new ATOM 0 HD11 LEU A 50 0.470 -13.147 -1.576 1.00 43.35 H new ATOM 0 HD12 LEU A 50 -0.887 -13.709 -0.571 1.00 43.35 H new ATOM 0 HD13 LEU A 50 -1.041 -13.690 -2.344 1.00 43.35 H new ATOM 0 HD21 LEU A 50 0.351 -10.968 -2.728 1.00 64.02 H new ATOM 0 HD22 LEU A 50 -1.164 -11.426 -3.541 1.00 64.02 H new ATOM 0 HD23 LEU A 50 -1.092 -9.940 -2.564 1.00 64.02 H new ATOM 756 N ASP A 51 -4.673 -10.765 0.669 1.00 62.40 N ATOM 757 CA ASP A 51 -5.886 -10.857 1.472 1.00 15.33 C ATOM 758 C ASP A 51 -6.775 -9.635 1.256 1.00 63.54 C ATOM 759 O ASP A 51 -6.326 -8.615 0.733 1.00 20.54 O ATOM 760 CB ASP A 51 -5.534 -10.990 2.955 1.00 43.44 C ATOM 761 CG ASP A 51 -6.531 -11.844 3.713 1.00 65.14 C ATOM 762 OD1 ASP A 51 -7.690 -11.944 3.260 1.00 31.35 O ATOM 763 OD2 ASP A 51 -6.151 -12.412 4.759 1.00 54.24 O ATOM 0 H ASP A 51 -3.811 -10.943 1.185 1.00 62.40 H new ATOM 0 HA ASP A 51 -6.434 -11.744 1.156 1.00 15.33 H new ATOM 0 HB2 ASP A 51 -4.540 -11.426 3.052 1.00 43.44 H new ATOM 0 HB3 ASP A 51 -5.493 -9.998 3.406 1.00 43.44 H new ATOM 768 N GLN A 52 -8.036 -9.748 1.659 1.00 21.34 N ATOM 769 CA GLN A 52 -8.987 -8.654 1.507 1.00 0.53 C ATOM 770 C GLN A 52 -9.736 -8.398 2.811 1.00 3.21 C ATOM 771 O GLN A 52 -9.668 -7.304 3.373 1.00 74.32 O ATOM 772 CB GLN A 52 -9.981 -8.965 0.387 1.00 30.43 C ATOM 773 CG GLN A 52 -10.200 -10.453 0.165 1.00 33.23 C ATOM 774 CD GLN A 52 -11.599 -10.770 -0.326 1.00 32.13 C ATOM 775 OE1 GLN A 52 -11.777 -11.342 -1.402 1.00 13.43 O ATOM 776 NE2 GLN A 52 -12.602 -10.400 0.463 1.00 44.24 N ATOM 0 H GLN A 52 -8.423 -10.586 2.093 1.00 21.34 H new ATOM 0 HA GLN A 52 -8.428 -7.755 1.248 1.00 0.53 H new ATOM 0 HB2 GLN A 52 -10.937 -8.496 0.620 1.00 30.43 H new ATOM 0 HB3 GLN A 52 -9.624 -8.516 -0.540 1.00 30.43 H new ATOM 0 HG2 GLN A 52 -9.473 -10.819 -0.560 1.00 33.23 H new ATOM 0 HG3 GLN A 52 -10.017 -10.987 1.098 1.00 33.23 H new ATOM 0 HE21 GLN A 52 -12.409 -9.928 1.346 1.00 44.24 H new ATOM 0 HE22 GLN A 52 -13.565 -10.588 0.185 1.00 44.24 H new ATOM 837 N PHE A 57 -7.009 -16.142 7.724 1.00 33.03 N ATOM 838 CA PHE A 57 -6.162 -16.925 6.833 1.00 63.03 C ATOM 839 C PHE A 57 -6.785 -17.031 5.444 1.00 60.11 C ATOM 840 O PHE A 57 -7.856 -17.615 5.276 1.00 61.23 O ATOM 841 CB PHE A 57 -5.933 -18.324 7.410 1.00 40.44 C ATOM 842 CG PHE A 57 -5.149 -18.323 8.691 1.00 52.31 C ATOM 843 CD1 PHE A 57 -3.766 -18.397 8.672 1.00 2.13 C ATOM 844 CD2 PHE A 57 -5.796 -18.248 9.914 1.00 71.30 C ATOM 845 CE1 PHE A 57 -3.041 -18.396 9.850 1.00 55.15 C ATOM 846 CE2 PHE A 57 -5.077 -18.246 11.094 1.00 31.53 C ATOM 847 CZ PHE A 57 -3.698 -18.322 11.062 1.00 13.41 C ATOM 0 HA PHE A 57 -5.203 -16.415 6.744 1.00 63.03 H new ATOM 0 HB2 PHE A 57 -6.898 -18.799 7.585 1.00 40.44 H new ATOM 0 HB3 PHE A 57 -5.408 -18.931 6.672 1.00 40.44 H new ATOM 0 HD1 PHE A 57 -3.248 -18.456 7.726 1.00 2.13 H new ATOM 0 HD2 PHE A 57 -6.874 -18.190 9.945 1.00 71.30 H new ATOM 0 HE1 PHE A 57 -1.963 -18.453 9.822 1.00 55.15 H new ATOM 0 HE2 PHE A 57 -5.593 -18.185 12.041 1.00 31.53 H new ATOM 0 HZ PHE A 57 -3.135 -18.324 11.984 1.00 13.41 H new ATOM 857 N ILE A 58 -6.107 -16.462 4.453 1.00 52.11 N ATOM 858 CA ILE A 58 -6.594 -16.493 3.079 1.00 5.31 C ATOM 859 C ILE A 58 -6.917 -17.917 2.642 1.00 23.41 C ATOM 860 O ILE A 58 -6.020 -18.699 2.328 1.00 44.32 O ATOM 861 CB ILE A 58 -5.565 -15.890 2.104 1.00 11.52 C ATOM 862 CG1 ILE A 58 -5.535 -14.366 2.239 1.00 4.32 C ATOM 863 CG2 ILE A 58 -5.891 -16.294 0.674 1.00 4.31 C ATOM 864 CD1 ILE A 58 -4.466 -13.706 1.396 1.00 1.32 C ATOM 0 H ILE A 58 -5.220 -15.974 4.576 1.00 52.11 H new ATOM 0 HA ILE A 58 -7.503 -15.893 3.053 1.00 5.31 H new ATOM 0 HB ILE A 58 -4.578 -16.278 2.354 1.00 11.52 H new ATOM 0 HG12 ILE A 58 -6.508 -13.965 1.956 1.00 4.32 H new ATOM 0 HG13 ILE A 58 -5.374 -14.105 3.285 1.00 4.32 H new ATOM 0 HG21 ILE A 58 -5.155 -15.860 -0.003 1.00 4.31 H new ATOM 0 HG22 ILE A 58 -5.867 -17.380 0.588 1.00 4.31 H new ATOM 0 HG23 ILE A 58 -6.885 -15.931 0.411 1.00 4.31 H new ATOM 0 HD11 ILE A 58 -4.503 -12.626 1.541 1.00 1.32 H new ATOM 0 HD12 ILE A 58 -3.486 -14.079 1.694 1.00 1.32 H new ATOM 0 HD13 ILE A 58 -4.638 -13.937 0.345 1.00 1.32 H new ATOM 876 N GLU A 59 -8.204 -18.247 2.624 1.00 74.35 N ATOM 877 CA GLU A 59 -8.646 -19.578 2.224 1.00 64.34 C ATOM 878 C GLU A 59 -8.503 -19.769 0.716 1.00 2.13 C ATOM 879 O GLU A 59 -7.886 -18.952 0.033 1.00 31.04 O ATOM 880 CB GLU A 59 -10.100 -19.805 2.642 1.00 41.11 C ATOM 881 CG GLU A 59 -10.333 -21.135 3.338 1.00 61.44 C ATOM 882 CD GLU A 59 -11.457 -21.934 2.707 1.00 31.43 C ATOM 883 OE1 GLU A 59 -12.459 -21.320 2.287 1.00 14.30 O ATOM 884 OE2 GLU A 59 -11.334 -23.175 2.634 1.00 23.13 O ATOM 0 H GLU A 59 -8.959 -17.611 2.882 1.00 74.35 H new ATOM 0 HA GLU A 59 -8.013 -20.309 2.727 1.00 64.34 H new ATOM 0 HB2 GLU A 59 -10.408 -18.998 3.307 1.00 41.11 H new ATOM 0 HB3 GLU A 59 -10.736 -19.751 1.758 1.00 41.11 H new ATOM 0 HG2 GLU A 59 -9.415 -21.722 3.310 1.00 61.44 H new ATOM 0 HG3 GLU A 59 -10.564 -20.956 4.388 1.00 61.44 H new ATOM 891 N GLU A 60 -9.077 -20.854 0.206 1.00 53.42 N ATOM 892 CA GLU A 60 -9.013 -21.152 -1.220 1.00 64.11 C ATOM 893 C GLU A 60 -9.873 -20.178 -2.019 1.00 41.45 C ATOM 894 O GLU A 60 -9.796 -20.129 -3.247 1.00 21.24 O ATOM 895 CB GLU A 60 -9.470 -22.588 -1.484 1.00 62.23 C ATOM 896 CG GLU A 60 -9.297 -23.026 -2.929 1.00 52.32 C ATOM 897 CD GLU A 60 -10.547 -22.805 -3.759 1.00 10.31 C ATOM 898 OE1 GLU A 60 -11.629 -23.264 -3.337 1.00 63.43 O ATOM 899 OE2 GLU A 60 -10.443 -22.171 -4.830 1.00 63.43 O ATOM 0 H GLU A 60 -9.591 -21.540 0.758 1.00 53.42 H new ATOM 0 HA GLU A 60 -7.977 -21.043 -1.542 1.00 64.11 H new ATOM 0 HB2 GLU A 60 -8.908 -23.263 -0.839 1.00 62.23 H new ATOM 0 HB3 GLU A 60 -10.520 -22.683 -1.208 1.00 62.23 H new ATOM 0 HG2 GLU A 60 -8.468 -22.477 -3.375 1.00 52.32 H new ATOM 0 HG3 GLU A 60 -9.030 -24.082 -2.955 1.00 52.32 H new ATOM 906 N GLU A 61 -10.692 -19.404 -1.314 1.00 2.13 N ATOM 907 CA GLU A 61 -11.567 -18.432 -1.958 1.00 15.13 C ATOM 908 C GLU A 61 -10.788 -17.186 -2.369 1.00 71.34 C ATOM 909 O GLU A 61 -10.914 -16.708 -3.496 1.00 45.01 O ATOM 910 CB GLU A 61 -12.712 -18.044 -1.020 1.00 15.32 C ATOM 911 CG GLU A 61 -13.634 -19.201 -0.673 1.00 10.11 C ATOM 912 CD GLU A 61 -14.982 -18.738 -0.155 1.00 20.20 C ATOM 913 OE1 GLU A 61 -15.007 -17.972 0.831 1.00 43.42 O ATOM 914 OE2 GLU A 61 -16.011 -19.142 -0.734 1.00 75.35 O ATOM 0 H GLU A 61 -10.768 -19.431 -0.297 1.00 2.13 H new ATOM 0 HA GLU A 61 -11.981 -18.893 -2.855 1.00 15.13 H new ATOM 0 HB2 GLU A 61 -12.294 -17.635 -0.100 1.00 15.32 H new ATOM 0 HB3 GLU A 61 -13.298 -17.251 -1.484 1.00 15.32 H new ATOM 0 HG2 GLU A 61 -13.782 -19.820 -1.558 1.00 10.11 H new ATOM 0 HG3 GLU A 61 -13.156 -19.829 0.079 1.00 10.11 H new ATOM 921 N GLU A 62 -9.984 -16.667 -1.447 1.00 11.31 N ATOM 922 CA GLU A 62 -9.186 -15.476 -1.714 1.00 24.03 C ATOM 923 C GLU A 62 -7.852 -15.848 -2.356 1.00 12.21 C ATOM 924 O GLU A 62 -7.030 -14.980 -2.653 1.00 62.21 O ATOM 925 CB GLU A 62 -8.941 -14.698 -0.419 1.00 32.11 C ATOM 926 CG GLU A 62 -9.968 -13.608 -0.161 1.00 21.34 C ATOM 927 CD GLU A 62 -11.300 -14.161 0.308 1.00 0.21 C ATOM 928 OE1 GLU A 62 -12.066 -14.661 -0.542 1.00 72.10 O ATOM 929 OE2 GLU A 62 -11.576 -14.093 1.524 1.00 74.02 O ATOM 0 H GLU A 62 -9.868 -17.052 -0.510 1.00 11.31 H new ATOM 0 HA GLU A 62 -9.742 -14.846 -2.409 1.00 24.03 H new ATOM 0 HB2 GLU A 62 -8.944 -15.394 0.420 1.00 32.11 H new ATOM 0 HB3 GLU A 62 -7.949 -14.249 -0.457 1.00 32.11 H new ATOM 0 HG2 GLU A 62 -9.580 -12.919 0.589 1.00 21.34 H new ATOM 0 HG3 GLU A 62 -10.119 -13.033 -1.074 1.00 21.34 H new ATOM 936 N LEU A 63 -7.645 -17.143 -2.567 1.00 3.22 N ATOM 937 CA LEU A 63 -6.411 -17.631 -3.173 1.00 71.24 C ATOM 938 C LEU A 63 -6.486 -17.557 -4.695 1.00 71.21 C ATOM 939 O LEU A 63 -5.471 -17.379 -5.367 1.00 61.25 O ATOM 940 CB LEU A 63 -6.139 -19.071 -2.734 1.00 61.02 C ATOM 941 CG LEU A 63 -4.671 -19.442 -2.523 1.00 23.11 C ATOM 942 CD1 LEU A 63 -4.063 -18.602 -1.411 1.00 4.05 C ATOM 943 CD2 LEU A 63 -4.535 -20.925 -2.209 1.00 12.23 C ATOM 0 H LEU A 63 -8.315 -17.874 -2.328 1.00 3.22 H new ATOM 0 HA LEU A 63 -5.593 -16.994 -2.836 1.00 71.24 H new ATOM 0 HB2 LEU A 63 -6.677 -19.254 -1.804 1.00 61.02 H new ATOM 0 HB3 LEU A 63 -6.559 -19.743 -3.482 1.00 61.02 H new ATOM 0 HG LEU A 63 -4.128 -19.235 -3.445 1.00 23.11 H new ATOM 0 HD11 LEU A 63 -3.018 -18.880 -1.275 1.00 4.05 H new ATOM 0 HD12 LEU A 63 -4.126 -17.547 -1.676 1.00 4.05 H new ATOM 0 HD13 LEU A 63 -4.608 -18.776 -0.484 1.00 4.05 H new ATOM 0 HD21 LEU A 63 -3.483 -21.171 -2.062 1.00 12.23 H new ATOM 0 HD22 LEU A 63 -5.092 -21.157 -1.302 1.00 12.23 H new ATOM 0 HD23 LEU A 63 -4.932 -21.510 -3.038 1.00 12.23 H new ATOM 955 N GLN A 64 -7.695 -17.693 -5.230 1.00 71.11 N ATOM 956 CA GLN A 64 -7.902 -17.640 -6.673 1.00 0.15 C ATOM 957 C GLN A 64 -7.636 -16.238 -7.209 1.00 45.54 C ATOM 958 O GLN A 64 -7.663 -16.009 -8.419 1.00 44.15 O ATOM 959 CB GLN A 64 -9.328 -18.070 -7.021 1.00 12.34 C ATOM 960 CG GLN A 64 -10.373 -17.004 -6.731 1.00 45.45 C ATOM 961 CD GLN A 64 -11.772 -17.437 -7.121 1.00 12.05 C ATOM 962 OE1 GLN A 64 -11.951 -18.300 -7.980 1.00 62.14 O ATOM 963 NE2 GLN A 64 -12.775 -16.839 -6.488 1.00 3.14 N ATOM 0 H GLN A 64 -8.546 -17.841 -4.687 1.00 71.11 H new ATOM 0 HA GLN A 64 -7.198 -18.328 -7.141 1.00 0.15 H new ATOM 0 HB2 GLN A 64 -9.372 -18.332 -8.078 1.00 12.34 H new ATOM 0 HB3 GLN A 64 -9.574 -18.971 -6.459 1.00 12.34 H new ATOM 0 HG2 GLN A 64 -10.355 -16.762 -5.668 1.00 45.45 H new ATOM 0 HG3 GLN A 64 -10.116 -16.092 -7.270 1.00 45.45 H new ATOM 0 HE21 GLN A 64 -12.581 -16.128 -5.782 1.00 3.14 H new ATOM 0 HE22 GLN A 64 -13.739 -17.090 -6.708 1.00 3.14 H new ATOM 972 N LEU A 65 -7.379 -15.301 -6.303 1.00 25.44 N ATOM 973 CA LEU A 65 -7.107 -13.920 -6.685 1.00 12.12 C ATOM 974 C LEU A 65 -5.625 -13.593 -6.531 1.00 71.51 C ATOM 975 O LEU A 65 -5.245 -12.429 -6.407 1.00 63.13 O ATOM 976 CB LEU A 65 -7.943 -12.961 -5.835 1.00 30.31 C ATOM 977 CG LEU A 65 -9.287 -13.499 -5.342 1.00 22.13 C ATOM 978 CD1 LEU A 65 -9.853 -12.602 -4.252 1.00 54.03 C ATOM 979 CD2 LEU A 65 -10.269 -13.623 -6.498 1.00 4.42 C ATOM 0 H LEU A 65 -7.353 -15.473 -5.298 1.00 25.44 H new ATOM 0 HA LEU A 65 -7.379 -13.799 -7.733 1.00 12.12 H new ATOM 0 HB2 LEU A 65 -7.352 -12.667 -4.968 1.00 30.31 H new ATOM 0 HB3 LEU A 65 -8.127 -12.058 -6.417 1.00 30.31 H new ATOM 0 HG LEU A 65 -9.127 -14.491 -4.921 1.00 22.13 H new ATOM 0 HD11 LEU A 65 -10.809 -13.000 -3.913 1.00 54.03 H new ATOM 0 HD12 LEU A 65 -9.158 -12.565 -3.413 1.00 54.03 H new ATOM 0 HD13 LEU A 65 -9.998 -11.597 -4.647 1.00 54.03 H new ATOM 0 HD21 LEU A 65 -11.220 -14.007 -6.128 1.00 4.42 H new ATOM 0 HD22 LEU A 65 -10.425 -12.643 -6.950 1.00 4.42 H new ATOM 0 HD23 LEU A 65 -9.867 -14.307 -7.245 1.00 4.42 H new ATOM 991 N PHE A 66 -4.792 -14.629 -6.542 1.00 53.11 N ATOM 992 CA PHE A 66 -3.351 -14.452 -6.405 1.00 72.42 C ATOM 993 C PHE A 66 -2.784 -13.673 -7.588 1.00 60.00 C ATOM 994 O PHE A 66 -1.736 -13.034 -7.480 1.00 72.35 O ATOM 995 CB PHE A 66 -2.658 -15.812 -6.296 1.00 4.10 C ATOM 996 CG PHE A 66 -1.159 -15.725 -6.331 1.00 44.45 C ATOM 997 CD1 PHE A 66 -0.436 -15.506 -5.170 1.00 14.35 C ATOM 998 CD2 PHE A 66 -0.472 -15.861 -7.527 1.00 43.01 C ATOM 999 CE1 PHE A 66 0.943 -15.425 -5.199 1.00 22.24 C ATOM 1000 CE2 PHE A 66 0.908 -15.782 -7.562 1.00 53.13 C ATOM 1001 CZ PHE A 66 1.616 -15.562 -6.397 1.00 31.51 C ATOM 0 H PHE A 66 -5.090 -15.599 -6.644 1.00 53.11 H new ATOM 0 HA PHE A 66 -3.164 -13.882 -5.495 1.00 72.42 H new ATOM 0 HB2 PHE A 66 -2.964 -16.294 -5.367 1.00 4.10 H new ATOM 0 HB3 PHE A 66 -2.996 -16.450 -7.113 1.00 4.10 H new ATOM 0 HD1 PHE A 66 -0.957 -15.397 -4.230 1.00 14.35 H new ATOM 0 HD2 PHE A 66 -1.021 -16.031 -8.442 1.00 43.01 H new ATOM 0 HE1 PHE A 66 1.494 -15.255 -4.286 1.00 22.24 H new ATOM 0 HE2 PHE A 66 1.432 -15.892 -8.500 1.00 53.13 H new ATOM 0 HZ PHE A 66 2.694 -15.497 -6.423 1.00 31.51 H new ATOM 1011 N LEU A 67 -3.483 -13.731 -8.716 1.00 43.43 N ATOM 1012 CA LEU A 67 -3.050 -13.031 -9.921 1.00 3.10 C ATOM 1013 C LEU A 67 -3.690 -11.649 -10.008 1.00 74.54 C ATOM 1014 O LEU A 67 -3.333 -10.840 -10.865 1.00 32.32 O ATOM 1015 CB LEU A 67 -3.403 -13.849 -11.164 1.00 62.04 C ATOM 1016 CG LEU A 67 -2.704 -15.202 -11.298 1.00 61.51 C ATOM 1017 CD1 LEU A 67 -3.298 -15.999 -12.449 1.00 53.35 C ATOM 1018 CD2 LEU A 67 -1.207 -15.013 -11.495 1.00 50.42 C ATOM 0 H LEU A 67 -4.352 -14.255 -8.822 1.00 43.43 H new ATOM 0 HA LEU A 67 -1.968 -12.907 -9.871 1.00 3.10 H new ATOM 0 HB2 LEU A 67 -4.480 -14.017 -11.170 1.00 62.04 H new ATOM 0 HB3 LEU A 67 -3.168 -13.253 -12.046 1.00 62.04 H new ATOM 0 HG LEU A 67 -2.861 -15.762 -10.376 1.00 61.51 H new ATOM 0 HD11 LEU A 67 -2.788 -16.959 -12.529 1.00 53.35 H new ATOM 0 HD12 LEU A 67 -4.359 -16.167 -12.266 1.00 53.35 H new ATOM 0 HD13 LEU A 67 -3.173 -15.444 -13.379 1.00 53.35 H new ATOM 0 HD21 LEU A 67 -0.726 -15.987 -11.588 1.00 50.42 H new ATOM 0 HD22 LEU A 67 -1.030 -14.433 -12.400 1.00 50.42 H new ATOM 0 HD23 LEU A 67 -0.791 -14.484 -10.638 1.00 50.42 H new ATOM 1030 N LYS A 68 -4.638 -11.385 -9.115 1.00 42.12 N ATOM 1031 CA LYS A 68 -5.327 -10.100 -9.088 1.00 21.22 C ATOM 1032 C LYS A 68 -4.551 -9.084 -8.256 1.00 62.11 C ATOM 1033 O LYS A 68 -4.762 -7.878 -8.377 1.00 71.21 O ATOM 1034 CB LYS A 68 -6.739 -10.267 -8.521 1.00 25.42 C ATOM 1035 CG LYS A 68 -7.600 -11.239 -9.310 1.00 3.54 C ATOM 1036 CD LYS A 68 -8.328 -10.541 -10.446 1.00 71.45 C ATOM 1037 CE LYS A 68 -9.837 -10.677 -10.308 1.00 63.10 C ATOM 1038 NZ LYS A 68 -10.441 -9.493 -9.637 1.00 41.35 N ATOM 0 H LYS A 68 -4.947 -12.044 -8.400 1.00 42.12 H new ATOM 0 HA LYS A 68 -5.394 -9.730 -10.111 1.00 21.22 H new ATOM 0 HB2 LYS A 68 -6.669 -10.612 -7.489 1.00 25.42 H new ATOM 0 HB3 LYS A 68 -7.230 -9.294 -8.499 1.00 25.42 H new ATOM 0 HG2 LYS A 68 -6.975 -12.036 -9.712 1.00 3.54 H new ATOM 0 HG3 LYS A 68 -8.325 -11.707 -8.645 1.00 3.54 H new ATOM 0 HD2 LYS A 68 -8.056 -9.485 -10.459 1.00 71.45 H new ATOM 0 HD3 LYS A 68 -8.009 -10.964 -11.398 1.00 71.45 H new ATOM 0 HE2 LYS A 68 -10.282 -10.802 -11.295 1.00 63.10 H new ATOM 0 HE3 LYS A 68 -10.070 -11.576 -9.737 1.00 63.10 H new ATOM 0 HZ1 LYS A 68 -11.470 -9.624 -9.562 1.00 41.35 H new ATOM 0 HZ2 LYS A 68 -10.035 -9.389 -8.685 1.00 41.35 H new ATOM 0 HZ3 LYS A 68 -10.241 -8.638 -10.195 1.00 41.35 H new ATOM 1052 N ASN A 69 -3.651 -9.580 -7.413 1.00 1.10 N ATOM 1053 CA ASN A 69 -2.842 -8.714 -6.562 1.00 34.40 C ATOM 1054 C ASN A 69 -1.589 -8.247 -7.296 1.00 13.30 C ATOM 1055 O ASN A 69 -0.977 -7.245 -6.925 1.00 51.11 O ATOM 1056 CB ASN A 69 -2.451 -9.448 -5.278 1.00 22.41 C ATOM 1057 CG ASN A 69 -3.491 -10.467 -4.854 1.00 13.00 C ATOM 1058 OD1 ASN A 69 -3.217 -11.666 -4.803 1.00 74.20 O ATOM 1059 ND2 ASN A 69 -4.693 -9.992 -4.547 1.00 71.45 N ATOM 0 H ASN A 69 -3.463 -10.576 -7.301 1.00 1.10 H new ATOM 0 HA ASN A 69 -3.438 -7.838 -6.305 1.00 34.40 H new ATOM 0 HB2 ASN A 69 -1.495 -9.949 -5.426 1.00 22.41 H new ATOM 0 HB3 ASN A 69 -2.310 -8.723 -4.477 1.00 22.41 H new ATOM 0 HD21 ASN A 69 -5.434 -10.629 -4.255 1.00 71.45 H new ATOM 0 HD22 ASN A 69 -4.875 -8.990 -4.604 1.00 71.45 H new ATOM 1066 N PHE A 70 -1.214 -8.978 -8.340 1.00 22.53 N ATOM 1067 CA PHE A 70 -0.034 -8.639 -9.126 1.00 64.32 C ATOM 1068 C PHE A 70 -0.431 -8.086 -10.492 1.00 4.45 C ATOM 1069 O PHE A 70 0.040 -7.025 -10.904 1.00 72.51 O ATOM 1070 CB PHE A 70 0.859 -9.870 -9.302 1.00 50.42 C ATOM 1071 CG PHE A 70 1.510 -10.325 -8.028 1.00 5.23 C ATOM 1072 CD1 PHE A 70 0.778 -10.995 -7.061 1.00 3.33 C ATOM 1073 CD2 PHE A 70 2.855 -10.083 -7.797 1.00 21.32 C ATOM 1074 CE1 PHE A 70 1.375 -11.414 -5.887 1.00 3.22 C ATOM 1075 CE2 PHE A 70 3.458 -10.500 -6.625 1.00 33.51 C ATOM 1076 CZ PHE A 70 2.717 -11.168 -5.669 1.00 52.51 C ATOM 0 H PHE A 70 -1.710 -9.809 -8.661 1.00 22.53 H new ATOM 0 HA PHE A 70 0.521 -7.870 -8.589 1.00 64.32 H new ATOM 0 HB2 PHE A 70 0.262 -10.687 -9.708 1.00 50.42 H new ATOM 0 HB3 PHE A 70 1.633 -9.646 -10.036 1.00 50.42 H new ATOM 0 HD1 PHE A 70 -0.271 -11.192 -7.227 1.00 3.33 H new ATOM 0 HD2 PHE A 70 3.439 -9.562 -8.542 1.00 21.32 H new ATOM 0 HE1 PHE A 70 0.793 -11.933 -5.140 1.00 3.22 H new ATOM 0 HE2 PHE A 70 4.507 -10.304 -6.457 1.00 33.51 H new ATOM 0 HZ PHE A 70 3.186 -11.497 -4.753 1.00 52.51 H new ATOM 1086 N SER A 71 -1.299 -8.812 -11.188 1.00 52.41 N ATOM 1087 CA SER A 71 -1.757 -8.396 -12.509 1.00 22.31 C ATOM 1088 C SER A 71 -3.221 -7.968 -12.467 1.00 24.41 C ATOM 1089 O SER A 71 -3.942 -8.276 -11.518 1.00 4.43 O ATOM 1090 CB SER A 71 -1.575 -9.534 -13.516 1.00 1.31 C ATOM 1091 OG SER A 71 -1.463 -9.032 -14.837 1.00 30.44 O ATOM 0 H SER A 71 -1.699 -9.691 -10.860 1.00 52.41 H new ATOM 0 HA SER A 71 -1.156 -7.542 -12.823 1.00 22.31 H new ATOM 0 HB2 SER A 71 -0.683 -10.107 -13.264 1.00 1.31 H new ATOM 0 HB3 SER A 71 -2.421 -10.218 -13.454 1.00 1.31 H new ATOM 0 HG SER A 71 -1.346 -9.778 -15.462 1.00 30.44 H new ATOM 1097 N SER A 72 -3.653 -7.257 -13.503 1.00 44.13 N ATOM 1098 CA SER A 72 -5.029 -6.783 -13.584 1.00 51.43 C ATOM 1099 C SER A 72 -5.737 -7.374 -14.800 1.00 21.14 C ATOM 1100 O SER A 72 -6.761 -6.858 -15.247 1.00 62.25 O ATOM 1101 CB SER A 72 -5.061 -5.255 -13.655 1.00 10.30 C ATOM 1102 OG SER A 72 -4.343 -4.679 -12.577 1.00 34.20 O ATOM 0 H SER A 72 -3.070 -6.996 -14.298 1.00 44.13 H new ATOM 0 HA SER A 72 -5.553 -7.110 -12.686 1.00 51.43 H new ATOM 0 HB2 SER A 72 -4.632 -4.923 -14.600 1.00 10.30 H new ATOM 0 HB3 SER A 72 -6.094 -4.908 -13.634 1.00 10.30 H new ATOM 0 HG SER A 72 -4.377 -3.702 -12.646 1.00 34.20 H new ATOM 1108 N SER A 73 -5.183 -8.460 -15.329 1.00 22.45 N ATOM 1109 CA SER A 73 -5.758 -9.121 -16.494 1.00 63.24 C ATOM 1110 C SER A 73 -6.183 -10.547 -16.156 1.00 42.12 C ATOM 1111 O SER A 73 -7.234 -11.013 -16.594 1.00 61.34 O ATOM 1112 CB SER A 73 -4.751 -9.137 -17.646 1.00 41.22 C ATOM 1113 OG SER A 73 -5.403 -9.315 -18.891 1.00 53.15 O ATOM 0 H SER A 73 -4.336 -8.901 -14.969 1.00 22.45 H new ATOM 0 HA SER A 73 -6.641 -8.560 -16.800 1.00 63.24 H new ATOM 0 HB2 SER A 73 -4.190 -8.202 -17.656 1.00 41.22 H new ATOM 0 HB3 SER A 73 -4.030 -9.940 -17.492 1.00 41.22 H new ATOM 0 HG SER A 73 -4.738 -9.320 -19.611 1.00 53.15 H new ATOM 1119 N ALA A 74 -5.357 -11.234 -15.373 1.00 52.24 N ATOM 1120 CA ALA A 74 -5.647 -12.605 -14.974 1.00 72.31 C ATOM 1121 C ALA A 74 -6.871 -12.666 -14.066 1.00 50.43 C ATOM 1122 O ALA A 74 -6.810 -12.276 -12.900 1.00 53.21 O ATOM 1123 CB ALA A 74 -4.441 -13.219 -14.279 1.00 10.25 C ATOM 0 H ALA A 74 -4.482 -10.863 -15.003 1.00 52.24 H new ATOM 0 HA ALA A 74 -5.866 -13.180 -15.874 1.00 72.31 H new ATOM 0 HB1 ALA A 74 -4.672 -14.243 -13.986 1.00 10.25 H new ATOM 0 HB2 ALA A 74 -3.590 -13.219 -14.960 1.00 10.25 H new ATOM 0 HB3 ALA A 74 -4.196 -12.635 -13.392 1.00 10.25 H new ATOM 1129 N ARG A 75 -7.981 -13.156 -14.609 1.00 2.22 N ATOM 1130 CA ARG A 75 -9.220 -13.265 -13.848 1.00 5.12 C ATOM 1131 C ARG A 75 -8.961 -13.877 -12.474 1.00 54.10 C ATOM 1132 O ARG A 75 -8.921 -13.171 -11.466 1.00 33.30 O ATOM 1133 CB ARG A 75 -10.239 -14.112 -14.612 1.00 14.54 C ATOM 1134 CG ARG A 75 -9.608 -15.146 -15.529 1.00 5.41 C ATOM 1135 CD ARG A 75 -10.450 -16.409 -15.608 1.00 53.13 C ATOM 1136 NE ARG A 75 -11.863 -16.111 -15.826 1.00 74.41 N ATOM 1137 CZ ARG A 75 -12.842 -16.976 -15.584 1.00 13.02 C ATOM 1138 NH1 ARG A 75 -12.563 -18.185 -15.118 1.00 21.43 N ATOM 1139 NH2 ARG A 75 -14.104 -16.631 -15.807 1.00 71.32 N ATOM 0 H ARG A 75 -8.048 -13.484 -15.573 1.00 2.22 H new ATOM 0 HA ARG A 75 -9.623 -12.262 -13.710 1.00 5.12 H new ATOM 0 HB2 ARG A 75 -10.885 -14.620 -13.896 1.00 14.54 H new ATOM 0 HB3 ARG A 75 -10.875 -13.454 -15.204 1.00 14.54 H new ATOM 0 HG2 ARG A 75 -9.489 -14.724 -16.527 1.00 5.41 H new ATOM 0 HG3 ARG A 75 -8.611 -15.395 -15.167 1.00 5.41 H new ATOM 0 HD2 ARG A 75 -10.083 -17.039 -16.418 1.00 53.13 H new ATOM 0 HD3 ARG A 75 -10.338 -16.978 -14.685 1.00 53.13 H new ATOM 0 HE ARG A 75 -12.112 -15.189 -16.183 1.00 74.41 H new ATOM 0 HH11 ARG A 75 -11.594 -18.454 -14.944 1.00 21.43 H new ATOM 0 HH12 ARG A 75 -13.317 -18.847 -14.933 1.00 21.43 H new ATOM 0 HH21 ARG A 75 -14.323 -15.701 -16.164 1.00 71.32 H new ATOM 0 HH22 ARG A 75 -14.855 -17.296 -15.621 1.00 71.32 H new ATOM 1153 N VAL A 76 -8.787 -15.194 -12.442 1.00 35.41 N ATOM 1154 CA VAL A 76 -8.533 -15.902 -11.193 1.00 2.33 C ATOM 1155 C VAL A 76 -7.820 -17.225 -11.446 1.00 72.40 C ATOM 1156 O VAL A 76 -7.859 -17.762 -12.554 1.00 72.11 O ATOM 1157 CB VAL A 76 -9.840 -16.174 -10.425 1.00 51.31 C ATOM 1158 CG1 VAL A 76 -10.287 -14.929 -9.673 1.00 25.44 C ATOM 1159 CG2 VAL A 76 -10.927 -16.650 -11.377 1.00 11.11 C ATOM 0 H VAL A 76 -8.817 -15.793 -13.267 1.00 35.41 H new ATOM 0 HA VAL A 76 -7.894 -15.258 -10.589 1.00 2.33 H new ATOM 0 HB VAL A 76 -9.655 -16.963 -9.696 1.00 51.31 H new ATOM 0 HG11 VAL A 76 -11.212 -15.140 -9.136 1.00 25.44 H new ATOM 0 HG12 VAL A 76 -9.514 -14.636 -8.962 1.00 25.44 H new ATOM 0 HG13 VAL A 76 -10.456 -14.117 -10.381 1.00 25.44 H new ATOM 0 HG21 VAL A 76 -11.844 -16.838 -10.818 1.00 11.11 H new ATOM 0 HG22 VAL A 76 -11.112 -15.884 -12.130 1.00 11.11 H new ATOM 0 HG23 VAL A 76 -10.605 -17.570 -11.866 1.00 11.11 H new ATOM 1169 N LEU A 77 -7.170 -17.748 -10.412 1.00 43.14 N ATOM 1170 CA LEU A 77 -6.448 -19.011 -10.522 1.00 4.21 C ATOM 1171 C LEU A 77 -7.339 -20.098 -11.114 1.00 44.12 C ATOM 1172 O LEU A 77 -8.564 -19.974 -11.126 1.00 21.43 O ATOM 1173 CB LEU A 77 -5.934 -19.448 -9.149 1.00 32.11 C ATOM 1174 CG LEU A 77 -4.999 -18.469 -8.439 1.00 44.11 C ATOM 1175 CD1 LEU A 77 -4.252 -19.166 -7.312 1.00 41.42 C ATOM 1176 CD2 LEU A 77 -4.020 -17.853 -9.429 1.00 33.31 C ATOM 0 H LEU A 77 -7.128 -17.317 -9.488 1.00 43.14 H new ATOM 0 HA LEU A 77 -5.600 -18.860 -11.189 1.00 4.21 H new ATOM 0 HB2 LEU A 77 -6.793 -19.632 -8.504 1.00 32.11 H new ATOM 0 HB3 LEU A 77 -5.413 -20.398 -9.264 1.00 32.11 H new ATOM 0 HG LEU A 77 -5.601 -17.669 -8.008 1.00 44.11 H new ATOM 0 HD11 LEU A 77 -3.591 -18.453 -6.818 1.00 41.42 H new ATOM 0 HD12 LEU A 77 -4.967 -19.558 -6.589 1.00 41.42 H new ATOM 0 HD13 LEU A 77 -3.661 -19.986 -7.720 1.00 41.42 H new ATOM 0 HD21 LEU A 77 -3.362 -17.159 -8.906 1.00 33.31 H new ATOM 0 HD22 LEU A 77 -3.424 -18.641 -9.889 1.00 33.31 H new ATOM 0 HD23 LEU A 77 -4.572 -17.318 -10.201 1.00 33.31 H new ATOM 1188 N THR A 78 -6.715 -21.165 -11.604 1.00 73.03 N ATOM 1189 CA THR A 78 -7.451 -22.275 -12.197 1.00 50.31 C ATOM 1190 C THR A 78 -7.230 -23.563 -11.412 1.00 41.32 C ATOM 1191 O THR A 78 -6.674 -23.544 -10.314 1.00 52.00 O ATOM 1192 CB THR A 78 -7.038 -22.503 -13.663 1.00 60.13 C ATOM 1193 OG1 THR A 78 -8.006 -23.326 -14.323 1.00 34.54 O ATOM 1194 CG2 THR A 78 -5.668 -23.159 -13.744 1.00 20.53 C ATOM 0 H THR A 78 -5.702 -21.284 -11.602 1.00 73.03 H new ATOM 0 HA THR A 78 -8.507 -22.009 -12.162 1.00 50.31 H new ATOM 0 HB THR A 78 -6.989 -21.533 -14.158 1.00 60.13 H new ATOM 0 HG1 THR A 78 -7.737 -23.465 -15.255 1.00 34.54 H new ATOM 0 HG21 THR A 78 -5.398 -23.310 -14.789 1.00 20.53 H new ATOM 0 HG22 THR A 78 -4.928 -22.516 -13.267 1.00 20.53 H new ATOM 0 HG23 THR A 78 -5.695 -24.122 -13.234 1.00 20.53 H new ATOM 1202 N SER A 79 -7.668 -24.680 -11.983 1.00 22.52 N ATOM 1203 CA SER A 79 -7.520 -25.978 -11.334 1.00 72.23 C ATOM 1204 C SER A 79 -6.086 -26.485 -11.453 1.00 50.21 C ATOM 1205 O SER A 79 -5.841 -27.568 -11.984 1.00 4.43 O ATOM 1206 CB SER A 79 -8.484 -26.993 -11.952 1.00 34.13 C ATOM 1207 OG SER A 79 -8.112 -27.305 -13.283 1.00 34.41 O ATOM 0 H SER A 79 -8.128 -24.713 -12.893 1.00 22.52 H new ATOM 0 HA SER A 79 -7.758 -25.857 -10.277 1.00 72.23 H new ATOM 0 HB2 SER A 79 -8.494 -27.902 -11.351 1.00 34.13 H new ATOM 0 HB3 SER A 79 -9.497 -26.591 -11.939 1.00 34.13 H new ATOM 0 HG SER A 79 -7.234 -27.741 -13.284 1.00 34.41 H new ATOM 1213 N ALA A 80 -5.142 -25.693 -10.955 1.00 13.23 N ATOM 1214 CA ALA A 80 -3.733 -26.061 -11.002 1.00 43.44 C ATOM 1215 C ALA A 80 -2.872 -25.031 -10.278 1.00 61.21 C ATOM 1216 O ALA A 80 -1.903 -25.382 -9.606 1.00 63.33 O ATOM 1217 CB ALA A 80 -3.275 -26.212 -12.446 1.00 34.23 C ATOM 0 H ALA A 80 -5.328 -24.792 -10.514 1.00 13.23 H new ATOM 0 HA ALA A 80 -3.616 -27.017 -10.492 1.00 43.44 H new ATOM 0 HB1 ALA A 80 -2.220 -26.487 -12.466 1.00 34.23 H new ATOM 0 HB2 ALA A 80 -3.862 -26.989 -12.935 1.00 34.23 H new ATOM 0 HB3 ALA A 80 -3.414 -25.268 -12.972 1.00 34.23 H new ATOM 1223 N GLU A 81 -3.233 -23.760 -10.420 1.00 45.45 N ATOM 1224 CA GLU A 81 -2.491 -22.680 -9.780 1.00 42.31 C ATOM 1225 C GLU A 81 -2.859 -22.567 -8.304 1.00 35.34 C ATOM 1226 O GLU A 81 -1.987 -22.521 -7.435 1.00 54.33 O ATOM 1227 CB GLU A 81 -2.767 -21.352 -10.488 1.00 43.34 C ATOM 1228 CG GLU A 81 -2.507 -21.395 -11.985 1.00 10.41 C ATOM 1229 CD GLU A 81 -2.177 -20.030 -12.559 1.00 73.51 C ATOM 1230 OE1 GLU A 81 -1.029 -19.574 -12.383 1.00 43.30 O ATOM 1231 OE2 GLU A 81 -3.069 -19.420 -13.185 1.00 40.22 O ATOM 0 H GLU A 81 -4.034 -23.453 -10.972 1.00 45.45 H new ATOM 0 HA GLU A 81 -1.428 -22.910 -9.855 1.00 42.31 H new ATOM 0 HB2 GLU A 81 -3.805 -21.067 -10.316 1.00 43.34 H new ATOM 0 HB3 GLU A 81 -2.145 -20.576 -10.042 1.00 43.34 H new ATOM 0 HG2 GLU A 81 -1.683 -22.079 -12.187 1.00 10.41 H new ATOM 0 HG3 GLU A 81 -3.385 -21.795 -12.491 1.00 10.41 H new ATOM 1238 N THR A 82 -4.159 -22.524 -8.026 1.00 1.43 N ATOM 1239 CA THR A 82 -4.644 -22.415 -6.656 1.00 12.12 C ATOM 1240 C THR A 82 -4.233 -23.628 -5.829 1.00 54.01 C ATOM 1241 O THR A 82 -3.901 -23.505 -4.650 1.00 63.20 O ATOM 1242 CB THR A 82 -6.177 -22.274 -6.613 1.00 15.24 C ATOM 1243 OG1 THR A 82 -6.670 -21.888 -7.901 1.00 35.45 O ATOM 1244 CG2 THR A 82 -6.597 -21.244 -5.574 1.00 71.24 C ATOM 0 H THR A 82 -4.894 -22.563 -8.732 1.00 1.43 H new ATOM 0 HA THR A 82 -4.192 -21.519 -6.231 1.00 12.12 H new ATOM 0 HB THR A 82 -6.601 -23.239 -6.337 1.00 15.24 H new ATOM 0 HG1 THR A 82 -7.646 -21.802 -7.866 1.00 35.45 H new ATOM 0 HG21 THR A 82 -7.684 -21.162 -5.562 1.00 71.24 H new ATOM 0 HG22 THR A 82 -6.246 -21.555 -4.590 1.00 71.24 H new ATOM 0 HG23 THR A 82 -6.163 -20.276 -5.825 1.00 71.24 H new ATOM 1252 N LYS A 83 -4.258 -24.800 -6.454 1.00 61.04 N ATOM 1253 CA LYS A 83 -3.886 -26.037 -5.778 1.00 0.24 C ATOM 1254 C LYS A 83 -2.381 -26.095 -5.539 1.00 4.24 C ATOM 1255 O LYS A 83 -1.929 -26.412 -4.438 1.00 52.45 O ATOM 1256 CB LYS A 83 -4.329 -27.247 -6.603 1.00 30.12 C ATOM 1257 CG LYS A 83 -5.806 -27.235 -6.955 1.00 54.14 C ATOM 1258 CD LYS A 83 -6.356 -28.644 -7.104 1.00 2.23 C ATOM 1259 CE LYS A 83 -7.877 -28.653 -7.091 1.00 62.11 C ATOM 1260 NZ LYS A 83 -8.427 -29.956 -7.557 1.00 14.01 N ATOM 0 H LYS A 83 -4.532 -24.919 -7.429 1.00 61.04 H new ATOM 0 HA LYS A 83 -4.391 -26.059 -4.812 1.00 0.24 H new ATOM 0 HB2 LYS A 83 -3.745 -27.282 -7.523 1.00 30.12 H new ATOM 0 HB3 LYS A 83 -4.104 -28.157 -6.047 1.00 30.12 H new ATOM 0 HG2 LYS A 83 -6.361 -26.707 -6.180 1.00 54.14 H new ATOM 0 HG3 LYS A 83 -5.955 -26.685 -7.884 1.00 54.14 H new ATOM 0 HD2 LYS A 83 -5.997 -29.079 -8.036 1.00 2.23 H new ATOM 0 HD3 LYS A 83 -5.980 -29.270 -6.294 1.00 2.23 H new ATOM 0 HE2 LYS A 83 -8.233 -28.449 -6.081 1.00 62.11 H new ATOM 0 HE3 LYS A 83 -8.251 -27.852 -7.729 1.00 62.11 H new ATOM 0 HZ1 LYS A 83 -9.466 -29.922 -7.534 1.00 14.01 H new ATOM 0 HZ2 LYS A 83 -8.108 -30.139 -8.530 1.00 14.01 H new ATOM 0 HZ3 LYS A 83 -8.091 -30.718 -6.933 1.00 14.01 H new ATOM 1274 N ALA A 84 -1.609 -25.785 -6.575 1.00 70.55 N ATOM 1275 CA ALA A 84 -0.155 -25.799 -6.477 1.00 22.14 C ATOM 1276 C ALA A 84 0.343 -24.688 -5.559 1.00 4.03 C ATOM 1277 O ALA A 84 1.523 -24.641 -5.208 1.00 34.03 O ATOM 1278 CB ALA A 84 0.469 -25.665 -7.858 1.00 24.03 C ATOM 0 H ALA A 84 -1.967 -25.521 -7.493 1.00 70.55 H new ATOM 0 HA ALA A 84 0.146 -26.754 -6.046 1.00 22.14 H new ATOM 0 HB1 ALA A 84 1.555 -25.677 -7.769 1.00 24.03 H new ATOM 0 HB2 ALA A 84 0.147 -26.496 -8.485 1.00 24.03 H new ATOM 0 HB3 ALA A 84 0.152 -24.725 -8.311 1.00 24.03 H new ATOM 1284 N PHE A 85 -0.562 -23.795 -5.173 1.00 42.45 N ATOM 1285 CA PHE A 85 -0.213 -22.682 -4.297 1.00 74.23 C ATOM 1286 C PHE A 85 -0.698 -22.939 -2.873 1.00 54.35 C ATOM 1287 O PHE A 85 0.044 -22.750 -1.909 1.00 21.11 O ATOM 1288 CB PHE A 85 -0.817 -21.380 -4.827 1.00 11.32 C ATOM 1289 CG PHE A 85 -0.316 -20.155 -4.117 1.00 15.34 C ATOM 1290 CD1 PHE A 85 0.918 -19.610 -4.433 1.00 32.24 C ATOM 1291 CD2 PHE A 85 -1.080 -19.548 -3.132 1.00 50.24 C ATOM 1292 CE1 PHE A 85 1.381 -18.483 -3.781 1.00 44.32 C ATOM 1293 CE2 PHE A 85 -0.622 -18.420 -2.478 1.00 1.01 C ATOM 1294 CZ PHE A 85 0.611 -17.888 -2.802 1.00 13.52 C ATOM 0 H PHE A 85 -1.543 -23.820 -5.453 1.00 42.45 H new ATOM 0 HA PHE A 85 0.873 -22.590 -4.281 1.00 74.23 H new ATOM 0 HB2 PHE A 85 -0.593 -21.291 -5.890 1.00 11.32 H new ATOM 0 HB3 PHE A 85 -1.902 -21.427 -4.732 1.00 11.32 H new ATOM 0 HD1 PHE A 85 1.525 -20.071 -5.198 1.00 32.24 H new ATOM 0 HD2 PHE A 85 -2.044 -19.961 -2.873 1.00 50.24 H new ATOM 0 HE1 PHE A 85 2.345 -18.068 -4.037 1.00 44.32 H new ATOM 0 HE2 PHE A 85 -1.228 -17.955 -1.714 1.00 1.01 H new ATOM 0 HZ PHE A 85 0.972 -17.008 -2.290 1.00 13.52 H new ATOM 1304 N LEU A 86 -1.949 -23.369 -2.750 1.00 21.44 N ATOM 1305 CA LEU A 86 -2.535 -23.652 -1.444 1.00 10.11 C ATOM 1306 C LEU A 86 -1.845 -24.841 -0.783 1.00 74.33 C ATOM 1307 O LEU A 86 -1.344 -24.738 0.336 1.00 52.22 O ATOM 1308 CB LEU A 86 -4.033 -23.930 -1.585 1.00 3.24 C ATOM 1309 CG LEU A 86 -4.890 -23.626 -0.356 1.00 11.34 C ATOM 1310 CD1 LEU A 86 -6.309 -23.267 -0.770 1.00 22.31 C ATOM 1311 CD2 LEU A 86 -4.895 -24.811 0.598 1.00 25.42 C ATOM 0 H LEU A 86 -2.577 -23.529 -3.538 1.00 21.44 H new ATOM 0 HA LEU A 86 -2.392 -22.776 -0.812 1.00 10.11 H new ATOM 0 HB2 LEU A 86 -4.414 -23.345 -2.422 1.00 3.24 H new ATOM 0 HB3 LEU A 86 -4.165 -24.981 -1.844 1.00 3.24 H new ATOM 0 HG LEU A 86 -4.457 -22.770 0.162 1.00 11.34 H new ATOM 0 HD11 LEU A 86 -6.904 -23.054 0.118 1.00 22.31 H new ATOM 0 HD12 LEU A 86 -6.289 -22.387 -1.413 1.00 22.31 H new ATOM 0 HD13 LEU A 86 -6.752 -24.102 -1.312 1.00 22.31 H new ATOM 0 HD21 LEU A 86 -5.510 -24.576 1.467 1.00 25.42 H new ATOM 0 HD22 LEU A 86 -5.303 -25.685 0.090 1.00 25.42 H new ATOM 0 HD23 LEU A 86 -3.876 -25.022 0.921 1.00 25.42 H new ATOM 1323 N ALA A 87 -1.822 -25.970 -1.485 1.00 14.21 N ATOM 1324 CA ALA A 87 -1.190 -27.178 -0.968 1.00 55.45 C ATOM 1325 C ALA A 87 0.312 -26.982 -0.800 1.00 4.45 C ATOM 1326 O ALA A 87 0.979 -27.769 -0.128 1.00 52.41 O ATOM 1327 CB ALA A 87 -1.471 -28.355 -1.890 1.00 62.31 C ATOM 0 H ALA A 87 -2.234 -26.073 -2.413 1.00 14.21 H new ATOM 0 HA ALA A 87 -1.614 -27.390 0.014 1.00 55.45 H new ATOM 0 HB1 ALA A 87 -0.994 -29.251 -1.493 1.00 62.31 H new ATOM 0 HB2 ALA A 87 -2.547 -28.516 -1.956 1.00 62.31 H new ATOM 0 HB3 ALA A 87 -1.074 -28.142 -2.883 1.00 62.31 H new ATOM 1333 N ALA A 88 0.840 -25.928 -1.414 1.00 13.43 N ATOM 1334 CA ALA A 88 2.264 -25.628 -1.330 1.00 33.01 C ATOM 1335 C ALA A 88 2.546 -24.608 -0.232 1.00 25.31 C ATOM 1336 O ALA A 88 3.635 -24.584 0.341 1.00 40.12 O ATOM 1337 CB ALA A 88 2.776 -25.120 -2.669 1.00 51.24 C ATOM 0 H ALA A 88 0.302 -25.267 -1.975 1.00 13.43 H new ATOM 0 HA ALA A 88 2.790 -26.549 -1.078 1.00 33.01 H new ATOM 0 HB1 ALA A 88 3.841 -24.900 -2.592 1.00 51.24 H new ATOM 0 HB2 ALA A 88 2.617 -25.882 -3.432 1.00 51.24 H new ATOM 0 HB3 ALA A 88 2.237 -24.213 -2.944 1.00 51.24 H new ATOM 1343 N GLY A 89 1.558 -23.767 0.057 1.00 44.54 N ATOM 1344 CA GLY A 89 1.722 -22.755 1.085 1.00 73.52 C ATOM 1345 C GLY A 89 1.156 -23.191 2.422 1.00 72.53 C ATOM 1346 O GLY A 89 1.878 -23.260 3.417 1.00 52.54 O ATOM 0 H GLY A 89 0.647 -23.768 -0.402 1.00 44.54 H new ATOM 0 HA2 GLY A 89 2.781 -22.526 1.200 1.00 73.52 H new ATOM 0 HA3 GLY A 89 1.230 -21.836 0.768 1.00 73.52 H new ATOM 1350 N ASP A 90 -0.139 -23.486 2.446 1.00 13.23 N ATOM 1351 CA ASP A 90 -0.802 -23.917 3.672 1.00 53.14 C ATOM 1352 C ASP A 90 -0.041 -25.066 4.326 1.00 54.11 C ATOM 1353 O ASP A 90 -0.127 -26.213 3.885 1.00 0.33 O ATOM 1354 CB ASP A 90 -2.241 -24.345 3.375 1.00 4.53 C ATOM 1355 CG ASP A 90 -2.826 -25.209 4.475 1.00 42.13 C ATOM 1356 OD1 ASP A 90 -2.592 -24.898 5.662 1.00 74.22 O ATOM 1357 OD2 ASP A 90 -3.518 -26.195 4.148 1.00 21.52 O ATOM 0 H ASP A 90 -0.750 -23.435 1.631 1.00 13.23 H new ATOM 0 HA ASP A 90 -0.817 -23.075 4.364 1.00 53.14 H new ATOM 0 HB2 ASP A 90 -2.861 -23.458 3.245 1.00 4.53 H new ATOM 0 HB3 ASP A 90 -2.267 -24.893 2.433 1.00 4.53 H new ATOM 1362 N THR A 91 0.705 -24.751 5.380 1.00 13.42 N ATOM 1363 CA THR A 91 1.483 -25.755 6.094 1.00 74.41 C ATOM 1364 C THR A 91 1.096 -25.806 7.568 1.00 52.45 C ATOM 1365 O THR A 91 0.894 -26.882 8.130 1.00 65.21 O ATOM 1366 CB THR A 91 2.994 -25.480 5.981 1.00 70.43 C ATOM 1367 OG1 THR A 91 3.253 -24.085 6.167 1.00 43.54 O ATOM 1368 CG2 THR A 91 3.525 -25.924 4.626 1.00 53.13 C ATOM 0 H THR A 91 0.787 -23.807 5.758 1.00 13.42 H new ATOM 0 HA THR A 91 1.260 -26.716 5.630 1.00 74.41 H new ATOM 0 HB THR A 91 3.504 -26.050 6.758 1.00 70.43 H new ATOM 0 HG1 THR A 91 2.961 -23.589 5.374 1.00 43.54 H new ATOM 0 HG21 THR A 91 4.594 -25.720 4.570 1.00 53.13 H new ATOM 0 HG22 THR A 91 3.353 -26.993 4.500 1.00 53.13 H new ATOM 0 HG23 THR A 91 3.009 -25.378 3.836 1.00 53.13 H new ATOM 1407 N GLY A 95 -6.088 -25.730 5.277 1.00 73.15 N ATOM 1408 CA GLY A 95 -6.658 -25.340 4.000 1.00 45.30 C ATOM 1409 C GLY A 95 -6.484 -23.861 3.716 1.00 51.12 C ATOM 1410 O GLY A 95 -6.654 -23.415 2.581 1.00 41.31 O ATOM 0 HA2 GLY A 95 -6.188 -25.918 3.204 1.00 45.30 H new ATOM 0 HA3 GLY A 95 -7.720 -25.587 3.989 1.00 45.30 H new ATOM 1414 N LYS A 96 -6.146 -23.097 4.749 1.00 34.12 N ATOM 1415 CA LYS A 96 -5.950 -21.659 4.607 1.00 72.42 C ATOM 1416 C LYS A 96 -4.470 -21.302 4.689 1.00 3.54 C ATOM 1417 O LYS A 96 -3.632 -22.152 4.991 1.00 31.14 O ATOM 1418 CB LYS A 96 -6.729 -20.908 5.689 1.00 5.11 C ATOM 1419 CG LYS A 96 -8.113 -21.476 5.948 1.00 53.24 C ATOM 1420 CD LYS A 96 -9.080 -20.399 6.413 1.00 64.34 C ATOM 1421 CE LYS A 96 -10.351 -21.003 6.989 1.00 31.02 C ATOM 1422 NZ LYS A 96 -11.507 -20.071 6.880 1.00 50.45 N ATOM 0 H LYS A 96 -6.002 -23.450 5.695 1.00 34.12 H new ATOM 0 HA LYS A 96 -6.324 -21.361 3.627 1.00 72.42 H new ATOM 0 HB2 LYS A 96 -6.157 -20.929 6.617 1.00 5.11 H new ATOM 0 HB3 LYS A 96 -6.824 -19.862 5.397 1.00 5.11 H new ATOM 0 HG2 LYS A 96 -8.493 -21.939 5.038 1.00 53.24 H new ATOM 0 HG3 LYS A 96 -8.050 -22.260 6.702 1.00 53.24 H new ATOM 0 HD2 LYS A 96 -8.598 -19.776 7.167 1.00 64.34 H new ATOM 0 HD3 LYS A 96 -9.332 -19.748 5.576 1.00 64.34 H new ATOM 0 HE2 LYS A 96 -10.582 -21.931 6.465 1.00 31.02 H new ATOM 0 HE3 LYS A 96 -10.189 -21.260 8.036 1.00 31.02 H new ATOM 0 HZ1 LYS A 96 -12.354 -20.520 7.284 1.00 50.45 H new ATOM 0 HZ2 LYS A 96 -11.297 -19.196 7.401 1.00 50.45 H new ATOM 0 HZ3 LYS A 96 -11.678 -19.846 5.879 1.00 50.45 H new ATOM 1436 N ILE A 97 -4.155 -20.039 4.421 1.00 50.14 N ATOM 1437 CA ILE A 97 -2.776 -19.569 4.467 1.00 21.34 C ATOM 1438 C ILE A 97 -2.683 -18.201 5.135 1.00 74.23 C ATOM 1439 O ILE A 97 -3.570 -17.363 4.981 1.00 51.53 O ATOM 1440 CB ILE A 97 -2.163 -19.483 3.057 1.00 5.34 C ATOM 1441 CG1 ILE A 97 -2.090 -20.873 2.423 1.00 24.20 C ATOM 1442 CG2 ILE A 97 -0.781 -18.849 3.119 1.00 64.50 C ATOM 1443 CD1 ILE A 97 -1.456 -20.878 1.049 1.00 31.14 C ATOM 0 H ILE A 97 -4.836 -19.323 4.170 1.00 50.14 H new ATOM 0 HA ILE A 97 -2.215 -20.296 5.054 1.00 21.34 H new ATOM 0 HB ILE A 97 -2.802 -18.855 2.436 1.00 5.34 H new ATOM 0 HG12 ILE A 97 -1.522 -21.533 3.079 1.00 24.20 H new ATOM 0 HG13 ILE A 97 -3.097 -21.284 2.351 1.00 24.20 H new ATOM 0 HG21 ILE A 97 -0.360 -18.795 2.115 1.00 64.50 H new ATOM 0 HG22 ILE A 97 -0.860 -17.844 3.534 1.00 64.50 H new ATOM 0 HG23 ILE A 97 -0.132 -19.453 3.752 1.00 64.50 H new ATOM 0 HD11 ILE A 97 -1.438 -21.896 0.660 1.00 31.14 H new ATOM 0 HD12 ILE A 97 -2.036 -20.244 0.378 1.00 31.14 H new ATOM 0 HD13 ILE A 97 -0.437 -20.497 1.117 1.00 31.14 H new ATOM 1455 N GLY A 98 -1.602 -17.982 5.876 1.00 24.32 N ATOM 1456 CA GLY A 98 -1.412 -16.714 6.555 1.00 43.42 C ATOM 1457 C GLY A 98 -0.137 -16.013 6.128 1.00 52.23 C ATOM 1458 O GLY A 98 0.012 -15.634 4.966 1.00 64.21 O ATOM 0 H GLY A 98 -0.854 -18.660 6.018 1.00 24.32 H new ATOM 0 HA2 GLY A 98 -2.265 -16.066 6.353 1.00 43.42 H new ATOM 0 HA3 GLY A 98 -1.388 -16.882 7.632 1.00 43.42 H new ATOM 1462 N VAL A 99 0.784 -15.838 7.070 1.00 42.43 N ATOM 1463 CA VAL A 99 2.052 -15.177 6.785 1.00 3.23 C ATOM 1464 C VAL A 99 3.215 -16.158 6.874 1.00 25.21 C ATOM 1465 O VAL A 99 3.970 -16.330 5.917 1.00 55.31 O ATOM 1466 CB VAL A 99 2.306 -14.008 7.756 1.00 41.25 C ATOM 1467 CG1 VAL A 99 2.155 -12.675 7.038 1.00 72.33 C ATOM 1468 CG2 VAL A 99 1.364 -14.091 8.947 1.00 0.21 C ATOM 0 H VAL A 99 0.676 -16.145 8.037 1.00 42.43 H new ATOM 0 HA VAL A 99 1.985 -14.788 5.769 1.00 3.23 H new ATOM 0 HB VAL A 99 3.329 -14.081 8.125 1.00 41.25 H new ATOM 0 HG11 VAL A 99 2.338 -11.861 7.740 1.00 72.33 H new ATOM 0 HG12 VAL A 99 2.874 -12.618 6.221 1.00 72.33 H new ATOM 0 HG13 VAL A 99 1.144 -12.589 6.638 1.00 72.33 H new ATOM 0 HG21 VAL A 99 1.557 -13.258 9.623 1.00 0.21 H new ATOM 0 HG22 VAL A 99 0.332 -14.044 8.599 1.00 0.21 H new ATOM 0 HG23 VAL A 99 1.526 -15.031 9.475 1.00 0.21 H new ATOM 1478 N GLU A 100 3.354 -16.800 8.030 1.00 60.32 N ATOM 1479 CA GLU A 100 4.426 -17.765 8.243 1.00 24.12 C ATOM 1480 C GLU A 100 4.393 -18.859 7.180 1.00 24.30 C ATOM 1481 O GLU A 100 5.430 -19.407 6.806 1.00 1.34 O ATOM 1482 CB GLU A 100 4.312 -18.388 9.636 1.00 63.31 C ATOM 1483 CG GLU A 100 5.423 -17.969 10.583 1.00 4.35 C ATOM 1484 CD GLU A 100 5.780 -19.054 11.581 1.00 43.40 C ATOM 1485 OE1 GLU A 100 6.211 -20.142 11.146 1.00 42.20 O ATOM 1486 OE2 GLU A 100 5.629 -18.814 12.797 1.00 14.52 O ATOM 0 H GLU A 100 2.738 -16.669 8.832 1.00 60.32 H new ATOM 0 HA GLU A 100 5.376 -17.237 8.166 1.00 24.12 H new ATOM 0 HB2 GLU A 100 3.352 -18.111 10.071 1.00 63.31 H new ATOM 0 HB3 GLU A 100 4.318 -19.474 9.541 1.00 63.31 H new ATOM 0 HG2 GLU A 100 6.309 -17.707 10.004 1.00 4.35 H new ATOM 0 HG3 GLU A 100 5.117 -17.072 11.121 1.00 4.35 H new ATOM 1493 N GLU A 101 3.194 -19.172 6.698 1.00 25.12 N ATOM 1494 CA GLU A 101 3.026 -20.202 5.679 1.00 3.34 C ATOM 1495 C GLU A 101 3.231 -19.623 4.282 1.00 23.33 C ATOM 1496 O GLU A 101 3.454 -20.359 3.320 1.00 10.33 O ATOM 1497 CB GLU A 101 1.636 -20.831 5.784 1.00 74.33 C ATOM 1498 CG GLU A 101 1.229 -21.176 7.206 1.00 14.04 C ATOM 1499 CD GLU A 101 -0.212 -21.638 7.305 1.00 31.43 C ATOM 1500 OE1 GLU A 101 -0.535 -22.702 6.736 1.00 50.43 O ATOM 1501 OE2 GLU A 101 -1.017 -20.936 7.953 1.00 23.31 O ATOM 0 H GLU A 101 2.326 -18.728 6.996 1.00 25.12 H new ATOM 0 HA GLU A 101 3.779 -20.972 5.848 1.00 3.34 H new ATOM 0 HB2 GLU A 101 0.903 -20.144 5.362 1.00 74.33 H new ATOM 0 HB3 GLU A 101 1.610 -21.737 5.178 1.00 74.33 H new ATOM 0 HG2 GLU A 101 1.885 -21.959 7.588 1.00 14.04 H new ATOM 0 HG3 GLU A 101 1.371 -20.303 7.843 1.00 14.04 H new ATOM 1508 N PHE A 102 3.154 -18.301 4.179 1.00 51.33 N ATOM 1509 CA PHE A 102 3.329 -17.622 2.900 1.00 61.53 C ATOM 1510 C PHE A 102 4.809 -17.485 2.555 1.00 23.31 C ATOM 1511 O PHE A 102 5.285 -18.062 1.578 1.00 51.05 O ATOM 1512 CB PHE A 102 2.672 -16.241 2.937 1.00 44.03 C ATOM 1513 CG PHE A 102 2.753 -15.504 1.631 1.00 44.52 C ATOM 1514 CD1 PHE A 102 1.784 -15.683 0.657 1.00 20.13 C ATOM 1515 CD2 PHE A 102 3.799 -14.631 1.376 1.00 24.14 C ATOM 1516 CE1 PHE A 102 1.855 -15.006 -0.546 1.00 3.35 C ATOM 1517 CE2 PHE A 102 3.876 -13.951 0.176 1.00 52.22 C ATOM 1518 CZ PHE A 102 2.903 -14.139 -0.787 1.00 23.22 C ATOM 0 H PHE A 102 2.972 -17.678 4.966 1.00 51.33 H new ATOM 0 HA PHE A 102 2.849 -18.224 2.129 1.00 61.53 H new ATOM 0 HB2 PHE A 102 1.625 -16.353 3.218 1.00 44.03 H new ATOM 0 HB3 PHE A 102 3.148 -15.642 3.713 1.00 44.03 H new ATOM 0 HD1 PHE A 102 0.963 -16.360 0.840 1.00 20.13 H new ATOM 0 HD2 PHE A 102 4.563 -14.481 2.124 1.00 24.14 H new ATOM 0 HE1 PHE A 102 1.092 -15.155 -1.296 1.00 3.35 H new ATOM 0 HE2 PHE A 102 4.696 -13.273 -0.009 1.00 52.22 H new ATOM 0 HZ PHE A 102 2.962 -13.609 -1.726 1.00 23.22 H new ATOM 1528 N GLN A 103 5.531 -16.717 3.365 1.00 34.33 N ATOM 1529 CA GLN A 103 6.956 -16.503 3.146 1.00 61.24 C ATOM 1530 C GLN A 103 7.695 -17.832 3.030 1.00 73.52 C ATOM 1531 O GLN A 103 8.620 -17.972 2.230 1.00 30.10 O ATOM 1532 CB GLN A 103 7.550 -15.674 4.285 1.00 3.51 C ATOM 1533 CG GLN A 103 7.294 -16.262 5.663 1.00 5.43 C ATOM 1534 CD GLN A 103 8.010 -15.503 6.764 1.00 52.34 C ATOM 1535 OE1 GLN A 103 8.618 -16.101 7.652 1.00 53.40 O ATOM 1536 NE2 GLN A 103 7.941 -14.178 6.710 1.00 4.42 N ATOM 0 H GLN A 103 5.152 -16.233 4.179 1.00 34.33 H new ATOM 0 HA GLN A 103 7.076 -15.959 2.209 1.00 61.24 H new ATOM 0 HB2 GLN A 103 8.625 -15.581 4.133 1.00 3.51 H new ATOM 0 HB3 GLN A 103 7.134 -14.667 4.246 1.00 3.51 H new ATOM 0 HG2 GLN A 103 6.222 -16.258 5.862 1.00 5.43 H new ATOM 0 HG3 GLN A 103 7.617 -17.303 5.675 1.00 5.43 H new ATOM 0 HE21 GLN A 103 7.426 -13.724 5.955 1.00 4.42 H new ATOM 0 HE22 GLN A 103 8.403 -13.614 7.423 1.00 4.42 H new ATOM 1545 N SER A 104 7.280 -18.806 3.834 1.00 60.31 N ATOM 1546 CA SER A 104 7.905 -20.124 3.825 1.00 43.45 C ATOM 1547 C SER A 104 7.853 -20.740 2.430 1.00 44.32 C ATOM 1548 O SER A 104 8.629 -21.641 2.107 1.00 51.31 O ATOM 1549 CB SER A 104 7.213 -21.047 4.828 1.00 32.35 C ATOM 1550 OG SER A 104 7.743 -22.360 4.764 1.00 51.14 O ATOM 0 H SER A 104 6.514 -18.707 4.500 1.00 60.31 H new ATOM 0 HA SER A 104 8.950 -20.005 4.113 1.00 43.45 H new ATOM 0 HB2 SER A 104 7.336 -20.651 5.836 1.00 32.35 H new ATOM 0 HB3 SER A 104 6.143 -21.073 4.624 1.00 32.35 H new ATOM 0 HG SER A 104 7.285 -22.930 5.416 1.00 51.14 H new ATOM 1556 N LEU A 105 6.934 -20.248 1.607 1.00 43.34 N ATOM 1557 CA LEU A 105 6.780 -20.749 0.245 1.00 14.42 C ATOM 1558 C LEU A 105 7.558 -19.887 -0.744 1.00 22.22 C ATOM 1559 O LEU A 105 8.273 -20.402 -1.603 1.00 62.54 O ATOM 1560 CB LEU A 105 5.300 -20.780 -0.143 1.00 2.03 C ATOM 1561 CG LEU A 105 4.991 -21.223 -1.573 1.00 54.32 C ATOM 1562 CD1 LEU A 105 3.610 -21.857 -1.649 1.00 3.42 C ATOM 1563 CD2 LEU A 105 5.091 -20.044 -2.530 1.00 2.41 C ATOM 0 H LEU A 105 6.284 -19.503 1.858 1.00 43.34 H new ATOM 0 HA LEU A 105 7.181 -21.762 0.209 1.00 14.42 H new ATOM 0 HB2 LEU A 105 4.779 -21.447 0.543 1.00 2.03 H new ATOM 0 HB3 LEU A 105 4.885 -19.783 0.005 1.00 2.03 H new ATOM 0 HG LEU A 105 5.728 -21.969 -1.869 1.00 54.32 H new ATOM 0 HD11 LEU A 105 3.407 -22.166 -2.674 1.00 3.42 H new ATOM 0 HD12 LEU A 105 3.573 -22.727 -0.994 1.00 3.42 H new ATOM 0 HD13 LEU A 105 2.859 -21.133 -1.333 1.00 3.42 H new ATOM 0 HD21 LEU A 105 4.868 -20.378 -3.543 1.00 2.41 H new ATOM 0 HD22 LEU A 105 4.377 -19.275 -2.236 1.00 2.41 H new ATOM 0 HD23 LEU A 105 6.100 -19.633 -2.497 1.00 2.41 H new ATOM 1575 N VAL A 106 7.416 -18.572 -0.615 1.00 1.22 N ATOM 1576 CA VAL A 106 8.109 -17.638 -1.495 1.00 34.11 C ATOM 1577 C VAL A 106 9.619 -17.826 -1.416 1.00 5.13 C ATOM 1578 O VAL A 106 10.269 -18.154 -2.409 1.00 33.10 O ATOM 1579 CB VAL A 106 7.765 -16.178 -1.146 1.00 12.10 C ATOM 1580 CG1 VAL A 106 8.722 -15.223 -1.842 1.00 43.30 C ATOM 1581 CG2 VAL A 106 6.323 -15.867 -1.519 1.00 42.40 C ATOM 0 H VAL A 106 6.827 -18.129 0.090 1.00 1.22 H new ATOM 0 HA VAL A 106 7.772 -17.850 -2.510 1.00 34.11 H new ATOM 0 HB VAL A 106 7.875 -16.044 -0.070 1.00 12.10 H new ATOM 0 HG11 VAL A 106 8.463 -14.196 -1.584 1.00 43.30 H new ATOM 0 HG12 VAL A 106 9.742 -15.432 -1.521 1.00 43.30 H new ATOM 0 HG13 VAL A 106 8.647 -15.355 -2.921 1.00 43.30 H new ATOM 0 HG21 VAL A 106 6.097 -14.831 -1.266 1.00 42.40 H new ATOM 0 HG22 VAL A 106 6.184 -16.017 -2.590 1.00 42.40 H new ATOM 0 HG23 VAL A 106 5.654 -16.529 -0.969 1.00 42.40 H new ATOM 1591 N LYS A 107 10.175 -17.616 -0.227 1.00 14.11 N ATOM 1592 CA LYS A 107 11.610 -17.763 -0.015 1.00 73.44 C ATOM 1593 C LYS A 107 12.069 -19.176 -0.364 1.00 12.40 C ATOM 1594 O LYS A 107 13.253 -19.413 -0.601 1.00 52.52 O ATOM 1595 CB LYS A 107 11.967 -17.444 1.438 1.00 44.42 C ATOM 1596 CG LYS A 107 11.715 -18.596 2.394 1.00 33.22 C ATOM 1597 CD LYS A 107 12.006 -18.202 3.832 1.00 1.43 C ATOM 1598 CE LYS A 107 10.800 -17.544 4.485 1.00 31.12 C ATOM 1599 NZ LYS A 107 10.883 -17.583 5.971 1.00 25.45 N ATOM 0 H LYS A 107 9.652 -17.343 0.605 1.00 14.11 H new ATOM 0 HA LYS A 107 12.123 -17.060 -0.671 1.00 73.44 H new ATOM 0 HB2 LYS A 107 13.019 -17.162 1.491 1.00 44.42 H new ATOM 0 HB3 LYS A 107 11.389 -16.580 1.764 1.00 44.42 H new ATOM 0 HG2 LYS A 107 10.678 -18.921 2.308 1.00 33.22 H new ATOM 0 HG3 LYS A 107 12.340 -19.445 2.115 1.00 33.22 H new ATOM 0 HD2 LYS A 107 12.292 -19.086 4.402 1.00 1.43 H new ATOM 0 HD3 LYS A 107 12.854 -17.518 3.858 1.00 1.43 H new ATOM 0 HE2 LYS A 107 10.727 -16.508 4.153 1.00 31.12 H new ATOM 0 HE3 LYS A 107 9.890 -18.048 4.159 1.00 31.12 H new ATOM 0 HZ1 LYS A 107 10.307 -16.815 6.371 1.00 25.45 H new ATOM 0 HZ2 LYS A 107 10.527 -18.498 6.315 1.00 25.45 H new ATOM 0 HZ3 LYS A 107 11.873 -17.464 6.267 1.00 25.45 H new ATOM 1613 N ALA A 108 11.124 -20.110 -0.394 1.00 52.55 N ATOM 1614 CA ALA A 108 11.431 -21.497 -0.718 1.00 22.23 C ATOM 1615 C ALA A 108 11.155 -21.792 -2.188 1.00 62.51 C ATOM 1616 O ALA A 108 11.649 -22.779 -2.736 1.00 53.13 O ATOM 1617 CB ALA A 108 10.629 -22.436 0.171 1.00 61.31 C ATOM 0 H ALA A 108 10.139 -19.931 -0.198 1.00 52.55 H new ATOM 0 HA ALA A 108 12.493 -21.660 -0.536 1.00 22.23 H new ATOM 0 HB1 ALA A 108 10.868 -23.469 -0.082 1.00 61.31 H new ATOM 0 HB2 ALA A 108 10.880 -22.251 1.216 1.00 61.31 H new ATOM 0 HB3 ALA A 108 9.564 -22.262 0.017 1.00 61.31 H new