USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 739 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 93 SER OG : rot 170:sc= -0.538 USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.022 (180deg=-0.176) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -156:sc= -0.0409 (180deg=-0.292) USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.292 USER MOD Single : A 16 GLN : amide:sc= -3.27! C(o=-3.3!,f=-6.1!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc=-0.00576 X(o=-0.0058,f=-0.21) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 0.815 (180deg=0.497) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.831 USER MOD Single : A 53 SER OG : rot 58:sc= 1.27 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.41) USER MOD Single : A 68 HIS : no HD1:sc= -0.302 K(o=-0.3,f=-0.83) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= -0.405 (180deg=-0.413) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 180:sc= -0.46 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -48:sc= 0.101 USER MOD Single : A 98 GLN : amide:sc= -0.0511 K(o=-0.051,f=-1) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -1.66 F(o=-2.3,f=-1.7) USER MOD Single : A 100 SER OG : rot -79:sc= 0.114 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 65:sc= 0.367 USER MOD Single : A 108 CYS SG : rot 180:sc= 0.00127 USER MOD Single : A 109 CYS SG : rot 29:sc= 0.0671 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.740 7.979 -1.830 1.00 72.11 N ATOM 2 CA MET A 1 -17.609 7.308 -0.543 1.00 11.02 C ATOM 3 C MET A 1 -16.142 7.054 -0.208 1.00 44.25 C ATOM 4 O MET A 1 -15.740 7.125 0.953 1.00 65.12 O ATOM 5 CB MET A 1 -18.377 5.985 -0.553 1.00 2.23 C ATOM 6 CG MET A 1 -19.835 6.126 -0.148 1.00 1.03 C ATOM 7 SD MET A 1 -20.723 4.557 -0.188 1.00 45.20 S ATOM 8 CE MET A 1 -20.516 4.008 1.504 1.00 32.22 C ATOM 0 H1 MET A 1 -18.711 8.337 -1.938 1.00 72.11 H new ATOM 0 H2 MET A 1 -17.071 8.774 -1.877 1.00 72.11 H new ATOM 0 H3 MET A 1 -17.532 7.306 -2.595 1.00 72.11 H new ATOM 0 HA MET A 1 -18.031 7.960 0.222 1.00 11.02 H new ATOM 0 HB2 MET A 1 -18.326 5.552 -1.552 1.00 2.23 H new ATOM 0 HB3 MET A 1 -17.887 5.285 0.123 1.00 2.23 H new ATOM 0 HG2 MET A 1 -19.890 6.544 0.857 1.00 1.03 H new ATOM 0 HG3 MET A 1 -20.326 6.834 -0.815 1.00 1.03 H new ATOM 0 HE1 MET A 1 -21.012 3.047 1.638 1.00 32.22 H new ATOM 0 HE2 MET A 1 -19.454 3.902 1.725 1.00 32.22 H new ATOM 0 HE3 MET A 1 -20.956 4.741 2.181 1.00 32.22 H new ATOM 16 N ASP A 2 -15.349 6.760 -1.232 1.00 32.31 N ATOM 17 CA ASP A 2 -13.927 6.497 -1.046 1.00 20.22 C ATOM 18 C ASP A 2 -13.087 7.666 -1.552 1.00 42.13 C ATOM 19 O ASP A 2 -13.002 7.909 -2.757 1.00 1.25 O ATOM 20 CB ASP A 2 -13.524 5.213 -1.773 1.00 34.32 C ATOM 21 CG ASP A 2 -13.477 4.013 -0.846 1.00 12.10 C ATOM 22 OD1 ASP A 2 -14.102 4.073 0.233 1.00 50.32 O ATOM 23 OD2 ASP A 2 -12.815 3.015 -1.200 1.00 41.14 O ATOM 0 H ASP A 2 -15.667 6.698 -2.199 1.00 32.31 H new ATOM 0 HA ASP A 2 -13.743 6.375 0.021 1.00 20.22 H new ATOM 0 HB2 ASP A 2 -14.231 5.018 -2.579 1.00 34.32 H new ATOM 0 HB3 ASP A 2 -12.546 5.351 -2.233 1.00 34.32 H new ATOM 27 N THR A 3 -12.469 8.389 -0.623 1.00 71.13 N ATOM 28 CA THR A 3 -11.639 9.535 -0.975 1.00 41.20 C ATOM 29 C THR A 3 -10.192 9.316 -0.546 1.00 53.34 C ATOM 30 O THR A 3 -9.924 8.644 0.449 1.00 51.31 O ATOM 31 CB THR A 3 -12.164 10.829 -0.326 1.00 41.02 C ATOM 32 OG1 THR A 3 -13.265 10.531 0.540 1.00 73.15 O ATOM 33 CG2 THR A 3 -12.603 11.827 -1.387 1.00 43.23 C ATOM 0 H THR A 3 -12.527 8.202 0.378 1.00 71.13 H new ATOM 0 HA THR A 3 -11.683 9.637 -2.059 1.00 41.20 H new ATOM 0 HB THR A 3 -11.355 11.272 0.255 1.00 41.02 H new ATOM 0 HG1 THR A 3 -13.592 11.359 0.950 1.00 73.15 H new ATOM 0 HG21 THR A 3 -12.970 12.733 -0.905 1.00 43.23 H new ATOM 0 HG22 THR A 3 -11.756 12.074 -2.027 1.00 43.23 H new ATOM 0 HG23 THR A 3 -13.398 11.390 -1.991 1.00 43.23 H new ATOM 41 N SER A 4 -9.263 9.889 -1.306 1.00 25.15 N ATOM 42 CA SER A 4 -7.842 9.754 -1.007 1.00 4.25 C ATOM 43 C SER A 4 -7.518 10.334 0.367 1.00 10.54 C ATOM 44 O SER A 4 -6.606 9.872 1.051 1.00 24.14 O ATOM 45 CB SER A 4 -7.005 10.453 -2.077 1.00 71.45 C ATOM 46 OG SER A 4 -5.865 11.075 -1.510 1.00 21.35 O ATOM 0 H SER A 4 -9.469 10.450 -2.132 1.00 25.15 H new ATOM 0 HA SER A 4 -7.597 8.692 -1.001 1.00 4.25 H new ATOM 0 HB2 SER A 4 -6.691 9.728 -2.828 1.00 71.45 H new ATOM 0 HB3 SER A 4 -7.613 11.199 -2.588 1.00 71.45 H new ATOM 0 HG SER A 4 -5.346 11.513 -2.216 1.00 21.35 H new ATOM 51 N LYS A 5 -8.275 11.352 0.766 1.00 15.21 N ATOM 52 CA LYS A 5 -8.073 11.997 2.057 1.00 24.44 C ATOM 53 C LYS A 5 -8.401 11.041 3.200 1.00 2.20 C ATOM 54 O LYS A 5 -7.872 11.172 4.304 1.00 3.52 O ATOM 55 CB LYS A 5 -8.938 13.254 2.164 1.00 64.11 C ATOM 56 CG LYS A 5 -8.663 14.276 1.074 1.00 1.25 C ATOM 57 CD LYS A 5 -9.885 14.499 0.199 1.00 63.22 C ATOM 58 CE LYS A 5 -10.011 15.955 -0.221 1.00 42.01 C ATOM 59 NZ LYS A 5 -10.335 16.839 0.933 1.00 5.21 N ATOM 0 H LYS A 5 -9.035 11.748 0.212 1.00 15.21 H new ATOM 0 HA LYS A 5 -7.023 12.280 2.133 1.00 24.44 H new ATOM 0 HB2 LYS A 5 -9.989 12.966 2.124 1.00 64.11 H new ATOM 0 HB3 LYS A 5 -8.771 13.718 3.136 1.00 64.11 H new ATOM 0 HG2 LYS A 5 -8.361 15.220 1.527 1.00 1.25 H new ATOM 0 HG3 LYS A 5 -7.830 13.937 0.458 1.00 1.25 H new ATOM 0 HD2 LYS A 5 -9.819 13.868 -0.687 1.00 63.22 H new ATOM 0 HD3 LYS A 5 -10.781 14.196 0.740 1.00 63.22 H new ATOM 0 HE2 LYS A 5 -9.078 16.283 -0.679 1.00 42.01 H new ATOM 0 HE3 LYS A 5 -10.788 16.048 -0.979 1.00 42.01 H new ATOM 0 HZ1 LYS A 5 -10.802 17.702 0.589 1.00 5.21 H new ATOM 0 HZ2 LYS A 5 -10.971 16.338 1.586 1.00 5.21 H new ATOM 0 HZ3 LYS A 5 -9.459 17.094 1.431 1.00 5.21 H new ATOM 69 N PHE A 6 -9.277 10.080 2.928 1.00 53.34 N ATOM 70 CA PHE A 6 -9.676 9.102 3.933 1.00 1.02 C ATOM 71 C PHE A 6 -8.750 7.890 3.912 1.00 72.43 C ATOM 72 O PHE A 6 -8.591 7.198 4.917 1.00 1.21 O ATOM 73 CB PHE A 6 -11.122 8.658 3.699 1.00 42.14 C ATOM 74 CG PHE A 6 -11.912 8.494 4.965 1.00 4.10 C ATOM 75 CD1 PHE A 6 -12.408 9.600 5.636 1.00 0.41 C ATOM 76 CD2 PHE A 6 -12.159 7.233 5.485 1.00 41.04 C ATOM 77 CE1 PHE A 6 -13.135 9.452 6.802 1.00 1.13 C ATOM 78 CE2 PHE A 6 -12.886 7.078 6.651 1.00 63.35 C ATOM 79 CZ PHE A 6 -13.375 8.190 7.309 1.00 15.11 C ATOM 0 H PHE A 6 -9.724 9.957 2.020 1.00 53.34 H new ATOM 0 HA PHE A 6 -9.603 9.575 4.912 1.00 1.02 H new ATOM 0 HB2 PHE A 6 -11.619 9.390 3.062 1.00 42.14 H new ATOM 0 HB3 PHE A 6 -11.120 7.712 3.157 1.00 42.14 H new ATOM 0 HD1 PHE A 6 -12.224 10.589 5.243 1.00 0.41 H new ATOM 0 HD2 PHE A 6 -11.779 6.361 4.973 1.00 41.04 H new ATOM 0 HE1 PHE A 6 -13.515 10.322 7.316 1.00 1.13 H new ATOM 0 HE2 PHE A 6 -13.071 6.090 7.046 1.00 63.35 H new ATOM 0 HZ PHE A 6 -13.944 8.072 8.219 1.00 15.11 H new ATOM 88 N TRP A 7 -8.142 7.639 2.757 1.00 11.32 N ATOM 89 CA TRP A 7 -7.232 6.510 2.603 1.00 2.14 C ATOM 90 C TRP A 7 -5.786 6.943 2.820 1.00 72.33 C ATOM 91 O TRP A 7 -4.872 6.117 2.813 1.00 53.31 O ATOM 92 CB TRP A 7 -7.388 5.888 1.215 1.00 72.44 C ATOM 93 CG TRP A 7 -8.487 4.872 1.140 1.00 75.01 C ATOM 94 CD1 TRP A 7 -9.552 4.877 0.285 1.00 61.02 C ATOM 95 CD2 TRP A 7 -8.630 3.702 1.953 1.00 2.23 C ATOM 96 NE1 TRP A 7 -10.348 3.782 0.518 1.00 71.34 N ATOM 97 CE2 TRP A 7 -9.804 3.045 1.535 1.00 23.40 C ATOM 98 CE3 TRP A 7 -7.879 3.145 2.992 1.00 40.31 C ATOM 99 CZ2 TRP A 7 -10.242 1.861 2.122 1.00 61.43 C ATOM 100 CZ3 TRP A 7 -8.317 1.970 3.573 1.00 23.32 C ATOM 101 CH2 TRP A 7 -9.488 1.338 3.137 1.00 51.01 C ATOM 0 H TRP A 7 -8.263 8.202 1.915 1.00 11.32 H new ATOM 0 HA TRP A 7 -7.486 5.765 3.357 1.00 2.14 H new ATOM 0 HB2 TRP A 7 -7.583 6.678 0.490 1.00 72.44 H new ATOM 0 HB3 TRP A 7 -6.448 5.418 0.928 1.00 72.44 H new ATOM 0 HD1 TRP A 7 -9.741 5.631 -0.464 1.00 61.02 H new ATOM 0 HE1 TRP A 7 -11.206 3.555 0.015 1.00 71.34 H new ATOM 0 HE3 TRP A 7 -6.973 3.624 3.334 1.00 40.31 H new ATOM 0 HZ2 TRP A 7 -11.145 1.372 1.788 1.00 61.43 H new ATOM 0 HZ3 TRP A 7 -7.746 1.531 4.378 1.00 23.32 H new ATOM 0 HH2 TRP A 7 -9.802 0.420 3.611 1.00 51.01 H new ATOM 111 N TYR A 8 -5.584 8.242 3.012 1.00 11.14 N ATOM 112 CA TYR A 8 -4.248 8.784 3.229 1.00 41.14 C ATOM 113 C TYR A 8 -4.114 9.356 4.637 1.00 52.03 C ATOM 114 O TYR A 8 -4.703 10.388 4.960 1.00 73.05 O ATOM 115 CB TYR A 8 -3.942 9.868 2.194 1.00 45.22 C ATOM 116 CG TYR A 8 -2.644 10.601 2.451 1.00 42.43 C ATOM 117 CD1 TYR A 8 -2.605 11.711 3.287 1.00 30.41 C ATOM 118 CD2 TYR A 8 -1.459 10.183 1.860 1.00 61.21 C ATOM 119 CE1 TYR A 8 -1.421 12.384 3.524 1.00 54.10 C ATOM 120 CE2 TYR A 8 -0.270 10.849 2.093 1.00 40.31 C ATOM 121 CZ TYR A 8 -0.258 11.949 2.925 1.00 4.12 C ATOM 122 OH TYR A 8 0.924 12.616 3.160 1.00 54.35 O ATOM 0 H TYR A 8 -6.329 8.939 3.022 1.00 11.14 H new ATOM 0 HA TYR A 8 -3.530 7.971 3.118 1.00 41.14 H new ATOM 0 HB2 TYR A 8 -3.903 9.413 1.204 1.00 45.22 H new ATOM 0 HB3 TYR A 8 -4.760 10.588 2.182 1.00 45.22 H new ATOM 0 HD1 TYR A 8 -3.514 12.053 3.759 1.00 30.41 H new ATOM 0 HD2 TYR A 8 -1.466 9.323 1.207 1.00 61.21 H new ATOM 0 HE1 TYR A 8 -1.407 13.246 4.175 1.00 54.10 H new ATOM 0 HE2 TYR A 8 0.643 10.510 1.627 1.00 40.31 H new ATOM 0 HH TYR A 8 0.903 13.013 4.056 1.00 54.35 H new ATOM 131 N LYS A 9 -3.334 8.679 5.472 1.00 73.40 N ATOM 132 CA LYS A 9 -3.119 9.118 6.845 1.00 4.32 C ATOM 133 C LYS A 9 -1.667 8.909 7.262 1.00 30.34 C ATOM 134 O LYS A 9 -1.197 7.782 7.419 1.00 30.14 O ATOM 135 CB LYS A 9 -4.048 8.360 7.796 1.00 41.31 C ATOM 136 CG LYS A 9 -5.502 8.785 7.692 1.00 12.02 C ATOM 137 CD LYS A 9 -5.763 10.074 8.452 1.00 44.33 C ATOM 138 CE LYS A 9 -7.210 10.522 8.310 1.00 64.34 C ATOM 139 NZ LYS A 9 -8.060 10.009 9.419 1.00 52.11 N ATOM 0 H LYS A 9 -2.840 7.823 5.221 1.00 73.40 H new ATOM 0 HA LYS A 9 -3.344 10.183 6.899 1.00 4.32 H new ATOM 0 HB2 LYS A 9 -3.974 7.292 7.588 1.00 41.31 H new ATOM 0 HB3 LYS A 9 -3.707 8.510 8.820 1.00 41.31 H new ATOM 0 HG2 LYS A 9 -5.768 8.920 6.644 1.00 12.02 H new ATOM 0 HG3 LYS A 9 -6.142 7.995 8.084 1.00 12.02 H new ATOM 0 HD2 LYS A 9 -5.527 9.930 9.506 1.00 44.33 H new ATOM 0 HD3 LYS A 9 -5.101 10.856 8.082 1.00 44.33 H new ATOM 0 HE2 LYS A 9 -7.253 11.611 8.293 1.00 64.34 H new ATOM 0 HE3 LYS A 9 -7.607 10.173 7.357 1.00 64.34 H new ATOM 0 HZ1 LYS A 9 -9.038 10.336 9.286 1.00 52.11 H new ATOM 0 HZ2 LYS A 9 -8.039 8.969 9.420 1.00 52.11 H new ATOM 0 HZ3 LYS A 9 -7.697 10.363 10.327 1.00 52.11 H new ATOM 149 N PRO A 10 -0.937 10.018 7.447 1.00 45.14 N ATOM 150 CA PRO A 10 0.472 9.982 7.851 1.00 74.43 C ATOM 151 C PRO A 10 0.651 9.507 9.288 1.00 34.31 C ATOM 152 O PRO A 10 1.617 8.814 9.607 1.00 21.23 O ATOM 153 CB PRO A 10 0.919 11.439 7.709 1.00 11.12 C ATOM 154 CG PRO A 10 -0.330 12.236 7.863 1.00 14.32 C ATOM 155 CD PRO A 10 -1.432 11.395 7.278 1.00 62.12 C ATOM 0 HA PRO A 10 1.051 9.284 7.247 1.00 74.43 H new ATOM 0 HB2 PRO A 10 1.654 11.704 8.470 1.00 11.12 H new ATOM 0 HB3 PRO A 10 1.385 11.617 6.740 1.00 11.12 H new ATOM 0 HG2 PRO A 10 -0.524 12.459 8.912 1.00 14.32 H new ATOM 0 HG3 PRO A 10 -0.250 13.191 7.344 1.00 14.32 H new ATOM 0 HD2 PRO A 10 -2.376 11.550 7.801 1.00 62.12 H new ATOM 0 HD3 PRO A 10 -1.606 11.634 6.229 1.00 62.12 H new ATOM 160 N HIS A 11 -0.286 9.883 10.152 1.00 64.32 N ATOM 161 CA HIS A 11 -0.231 9.494 11.557 1.00 15.03 C ATOM 162 C HIS A 11 -0.600 8.023 11.728 1.00 62.03 C ATOM 163 O HIS A 11 -0.485 7.466 12.820 1.00 42.54 O ATOM 164 CB HIS A 11 -1.172 10.368 12.387 1.00 32.12 C ATOM 165 CG HIS A 11 -0.548 11.648 12.850 1.00 35.11 C ATOM 166 ND1 HIS A 11 0.067 11.786 14.076 1.00 21.42 N ATOM 167 CD2 HIS A 11 -0.447 12.853 12.243 1.00 73.52 C ATOM 168 CE1 HIS A 11 0.520 13.020 14.203 1.00 65.54 C ATOM 169 NE2 HIS A 11 0.222 13.688 13.104 1.00 51.13 N ATOM 0 H HIS A 11 -1.092 10.456 9.904 1.00 64.32 H new ATOM 0 HA HIS A 11 0.791 9.637 11.909 1.00 15.03 H new ATOM 0 HB2 HIS A 11 -2.057 10.599 11.795 1.00 32.12 H new ATOM 0 HB3 HIS A 11 -1.508 9.802 13.256 1.00 32.12 H new ATOM 0 HD2 HIS A 11 -0.823 13.110 11.264 1.00 73.52 H new ATOM 0 HE1 HIS A 11 1.045 13.415 15.060 1.00 65.54 H new ATOM 0 HE2 HIS A 11 0.451 14.665 12.924 1.00 51.13 H new ATOM 176 N LEU A 12 -1.044 7.399 10.642 1.00 45.24 N ATOM 177 CA LEU A 12 -1.431 5.993 10.671 1.00 3.21 C ATOM 178 C LEU A 12 -0.202 5.092 10.730 1.00 22.24 C ATOM 179 O LEU A 12 0.775 5.310 10.013 1.00 2.45 O ATOM 180 CB LEU A 12 -2.271 5.650 9.441 1.00 35.22 C ATOM 181 CG LEU A 12 -3.478 4.742 9.684 1.00 44.33 C ATOM 182 CD1 LEU A 12 -4.435 5.382 10.679 1.00 60.53 C ATOM 183 CD2 LEU A 12 -4.190 4.439 8.375 1.00 52.51 C ATOM 0 H LEU A 12 -1.145 7.845 9.730 1.00 45.24 H new ATOM 0 HA LEU A 12 -2.026 5.823 11.568 1.00 3.21 H new ATOM 0 HB2 LEU A 12 -2.625 6.580 8.997 1.00 35.22 H new ATOM 0 HB3 LEU A 12 -1.624 5.172 8.706 1.00 35.22 H new ATOM 0 HG LEU A 12 -3.122 3.802 10.106 1.00 44.33 H new ATOM 0 HD11 LEU A 12 -5.288 4.722 10.840 1.00 60.53 H new ATOM 0 HD12 LEU A 12 -3.920 5.546 11.625 1.00 60.53 H new ATOM 0 HD13 LEU A 12 -4.784 6.337 10.286 1.00 60.53 H new ATOM 0 HD21 LEU A 12 -5.046 3.792 8.568 1.00 52.51 H new ATOM 0 HD22 LEU A 12 -4.533 5.370 7.924 1.00 52.51 H new ATOM 0 HD23 LEU A 12 -3.502 3.938 7.694 1.00 52.51 H new ATOM 194 N SER A 13 -0.258 4.077 11.587 1.00 61.14 N ATOM 195 CA SER A 13 0.851 3.143 11.741 1.00 72.23 C ATOM 196 C SER A 13 0.629 1.892 10.896 1.00 55.51 C ATOM 197 O SER A 13 -0.471 1.657 10.394 1.00 10.15 O ATOM 198 CB SER A 13 1.020 2.756 13.211 1.00 41.23 C ATOM 199 OG SER A 13 1.993 1.737 13.362 1.00 72.55 O ATOM 0 H SER A 13 -1.060 3.881 12.186 1.00 61.14 H new ATOM 0 HA SER A 13 1.760 3.637 11.396 1.00 72.23 H new ATOM 0 HB2 SER A 13 1.314 3.632 13.789 1.00 41.23 H new ATOM 0 HB3 SER A 13 0.066 2.414 13.612 1.00 41.23 H new ATOM 0 HG SER A 13 2.083 1.509 14.311 1.00 72.55 H new ATOM 204 N ARG A 14 1.680 1.094 10.744 1.00 75.33 N ATOM 205 CA ARG A 14 1.601 -0.132 9.958 1.00 4.33 C ATOM 206 C ARG A 14 0.477 -1.031 10.466 1.00 24.23 C ATOM 207 O ARG A 14 -0.339 -1.522 9.687 1.00 3.41 O ATOM 208 CB ARG A 14 2.932 -0.883 10.011 1.00 45.23 C ATOM 209 CG ARG A 14 2.880 -2.262 9.374 1.00 0.20 C ATOM 210 CD ARG A 14 2.982 -3.362 10.419 1.00 22.10 C ATOM 211 NE ARG A 14 4.244 -3.304 11.152 1.00 22.53 N ATOM 212 CZ ARG A 14 4.473 -3.976 12.275 1.00 61.31 C ATOM 213 NH1 ARG A 14 3.531 -4.753 12.790 1.00 13.53 N ATOM 214 NH2 ARG A 14 5.647 -3.871 12.884 1.00 31.01 N ATOM 0 H ARG A 14 2.596 1.274 11.154 1.00 75.33 H new ATOM 0 HA ARG A 14 1.387 0.141 8.925 1.00 4.33 H new ATOM 0 HB2 ARG A 14 3.695 -0.289 9.508 1.00 45.23 H new ATOM 0 HB3 ARG A 14 3.241 -0.984 11.051 1.00 45.23 H new ATOM 0 HG2 ARG A 14 1.949 -2.372 8.818 1.00 0.20 H new ATOM 0 HG3 ARG A 14 3.694 -2.364 8.656 1.00 0.20 H new ATOM 0 HD2 ARG A 14 2.151 -3.275 11.119 1.00 22.10 H new ATOM 0 HD3 ARG A 14 2.889 -4.333 9.933 1.00 22.10 H new ATOM 0 HE ARG A 14 4.990 -2.715 10.782 1.00 22.53 H new ATOM 0 HH11 ARG A 14 2.627 -4.836 12.324 1.00 13.53 H new ATOM 0 HH12 ARG A 14 3.710 -5.268 13.652 1.00 13.53 H new ATOM 0 HH21 ARG A 14 6.374 -3.274 12.490 1.00 31.01 H new ATOM 0 HH22 ARG A 14 5.822 -4.387 13.746 1.00 31.01 H new ATOM 225 N ASP A 15 0.443 -1.242 11.778 1.00 70.54 N ATOM 226 CA ASP A 15 -0.580 -2.082 12.391 1.00 63.11 C ATOM 227 C ASP A 15 -1.977 -1.570 12.053 1.00 60.53 C ATOM 228 O ASP A 15 -2.878 -2.353 11.751 1.00 4.34 O ATOM 229 CB ASP A 15 -0.394 -2.125 13.908 1.00 64.41 C ATOM 230 CG ASP A 15 -0.732 -3.481 14.495 1.00 61.45 C ATOM 231 OD1 ASP A 15 -0.136 -4.485 14.051 1.00 73.21 O ATOM 232 OD2 ASP A 15 -1.591 -3.538 15.399 1.00 35.40 O ATOM 0 H ASP A 15 1.112 -0.843 12.437 1.00 70.54 H new ATOM 0 HA ASP A 15 -0.474 -3.090 11.991 1.00 63.11 H new ATOM 0 HB2 ASP A 15 0.638 -1.874 14.152 1.00 64.41 H new ATOM 0 HB3 ASP A 15 -1.024 -1.365 14.370 1.00 64.41 H new ATOM 236 N GLN A 16 -2.148 -0.254 12.104 1.00 43.02 N ATOM 237 CA GLN A 16 -3.436 0.361 11.804 1.00 41.33 C ATOM 238 C GLN A 16 -3.843 0.095 10.359 1.00 44.45 C ATOM 239 O GLN A 16 -5.006 -0.188 10.073 1.00 64.12 O ATOM 240 CB GLN A 16 -3.378 1.868 12.062 1.00 71.40 C ATOM 241 CG GLN A 16 -3.505 2.241 13.530 1.00 14.35 C ATOM 242 CD GLN A 16 -2.860 3.574 13.852 1.00 21.05 C ATOM 243 OE1 GLN A 16 -3.277 4.617 13.349 1.00 13.11 O ATOM 244 NE2 GLN A 16 -1.835 3.546 14.696 1.00 2.44 N ATOM 0 H GLN A 16 -1.412 0.407 12.350 1.00 43.02 H new ATOM 0 HA GLN A 16 -4.184 -0.084 12.460 1.00 41.33 H new ATOM 0 HB2 GLN A 16 -2.436 2.258 11.677 1.00 71.40 H new ATOM 0 HB3 GLN A 16 -4.176 2.355 11.502 1.00 71.40 H new ATOM 0 HG2 GLN A 16 -4.560 2.277 13.802 1.00 14.35 H new ATOM 0 HG3 GLN A 16 -3.046 1.463 14.140 1.00 14.35 H new ATOM 0 HE21 GLN A 16 -1.522 2.658 15.089 1.00 2.44 H new ATOM 0 HE22 GLN A 16 -1.360 4.412 14.951 1.00 2.44 H new ATOM 251 N ALA A 17 -2.877 0.189 9.450 1.00 40.22 N ATOM 252 CA ALA A 17 -3.134 -0.043 8.035 1.00 75.03 C ATOM 253 C ALA A 17 -3.564 -1.484 7.783 1.00 4.35 C ATOM 254 O ALA A 17 -4.469 -1.743 6.989 1.00 5.33 O ATOM 255 CB ALA A 17 -1.900 0.293 7.212 1.00 55.05 C ATOM 0 H ALA A 17 -1.909 0.424 9.670 1.00 40.22 H new ATOM 0 HA ALA A 17 -3.951 0.611 7.728 1.00 75.03 H new ATOM 0 HB1 ALA A 17 -2.107 0.115 6.157 1.00 55.05 H new ATOM 0 HB2 ALA A 17 -1.639 1.341 7.359 1.00 55.05 H new ATOM 0 HB3 ALA A 17 -1.068 -0.336 7.530 1.00 55.05 H new ATOM 261 N ILE A 18 -2.908 -2.419 8.464 1.00 52.42 N ATOM 262 CA ILE A 18 -3.224 -3.834 8.315 1.00 11.12 C ATOM 263 C ILE A 18 -4.628 -4.141 8.824 1.00 15.30 C ATOM 264 O ILE A 18 -5.372 -4.900 8.203 1.00 72.14 O ATOM 265 CB ILE A 18 -2.212 -4.718 9.067 1.00 73.03 C ATOM 266 CG1 ILE A 18 -0.794 -4.459 8.554 1.00 33.13 C ATOM 267 CG2 ILE A 18 -2.576 -6.187 8.914 1.00 74.12 C ATOM 268 CD1 ILE A 18 0.286 -4.922 9.505 1.00 23.54 C ATOM 0 H ILE A 18 -2.155 -2.222 9.123 1.00 52.42 H new ATOM 0 HA ILE A 18 -3.170 -4.059 7.250 1.00 11.12 H new ATOM 0 HB ILE A 18 -2.247 -4.463 10.126 1.00 73.03 H new ATOM 0 HG12 ILE A 18 -0.665 -4.964 7.597 1.00 33.13 H new ATOM 0 HG13 ILE A 18 -0.672 -3.392 8.370 1.00 33.13 H new ATOM 0 HG21 ILE A 18 -1.851 -6.799 9.451 1.00 74.12 H new ATOM 0 HG22 ILE A 18 -3.571 -6.360 9.323 1.00 74.12 H new ATOM 0 HG23 ILE A 18 -2.566 -6.456 7.858 1.00 74.12 H new ATOM 0 HD11 ILE A 18 1.265 -4.707 9.077 1.00 23.54 H new ATOM 0 HD12 ILE A 18 0.183 -4.398 10.455 1.00 23.54 H new ATOM 0 HD13 ILE A 18 0.190 -5.995 9.670 1.00 23.54 H new ATOM 279 N ALA A 19 -4.984 -3.545 9.957 1.00 31.15 N ATOM 280 CA ALA A 19 -6.301 -3.753 10.548 1.00 75.43 C ATOM 281 C ALA A 19 -7.395 -3.148 9.675 1.00 15.14 C ATOM 282 O ALA A 19 -8.492 -3.699 9.566 1.00 4.23 O ATOM 283 CB ALA A 19 -6.350 -3.158 11.947 1.00 35.11 C ATOM 0 H ALA A 19 -4.380 -2.915 10.484 1.00 31.15 H new ATOM 0 HA ALA A 19 -6.478 -4.826 10.615 1.00 75.43 H new ATOM 0 HB1 ALA A 19 -7.338 -3.320 12.377 1.00 35.11 H new ATOM 0 HB2 ALA A 19 -5.599 -3.639 12.573 1.00 35.11 H new ATOM 0 HB3 ALA A 19 -6.148 -2.088 11.895 1.00 35.11 H new ATOM 289 N LEU A 20 -7.091 -2.014 9.053 1.00 12.33 N ATOM 290 CA LEU A 20 -8.051 -1.334 8.190 1.00 64.24 C ATOM 291 C LEU A 20 -8.238 -2.094 6.880 1.00 3.13 C ATOM 292 O LEU A 20 -9.318 -2.075 6.289 1.00 51.10 O ATOM 293 CB LEU A 20 -7.584 0.094 7.902 1.00 22.30 C ATOM 294 CG LEU A 20 -8.573 1.206 8.250 1.00 52.53 C ATOM 295 CD1 LEU A 20 -8.820 1.252 9.749 1.00 4.15 C ATOM 296 CD2 LEU A 20 -8.062 2.551 7.751 1.00 31.51 C ATOM 0 H LEU A 20 -6.188 -1.546 9.130 1.00 12.33 H new ATOM 0 HA LEU A 20 -9.009 -1.299 8.709 1.00 64.24 H new ATOM 0 HB2 LEU A 20 -6.660 0.271 8.453 1.00 22.30 H new ATOM 0 HB3 LEU A 20 -7.342 0.169 6.842 1.00 22.30 H new ATOM 0 HG LEU A 20 -9.519 0.992 7.753 1.00 52.53 H new ATOM 0 HD11 LEU A 20 -9.527 2.050 9.977 1.00 4.15 H new ATOM 0 HD12 LEU A 20 -9.231 0.298 10.079 1.00 4.15 H new ATOM 0 HD13 LEU A 20 -7.880 1.441 10.267 1.00 4.15 H new ATOM 0 HD21 LEU A 20 -8.779 3.331 8.008 1.00 31.51 H new ATOM 0 HD22 LEU A 20 -7.103 2.772 8.219 1.00 31.51 H new ATOM 0 HD23 LEU A 20 -7.938 2.514 6.669 1.00 31.51 H new ATOM 307 N LEU A 21 -7.181 -2.764 6.435 1.00 73.23 N ATOM 308 CA LEU A 21 -7.230 -3.533 5.196 1.00 3.21 C ATOM 309 C LEU A 21 -7.979 -4.846 5.399 1.00 3.04 C ATOM 310 O LEU A 21 -8.767 -5.263 4.550 1.00 44.52 O ATOM 311 CB LEU A 21 -5.813 -3.813 4.692 1.00 74.43 C ATOM 312 CG LEU A 21 -5.116 -2.658 3.973 1.00 60.24 C ATOM 313 CD1 LEU A 21 -3.711 -3.060 3.553 1.00 63.42 C ATOM 314 CD2 LEU A 21 -5.929 -2.212 2.765 1.00 62.52 C ATOM 0 H LEU A 21 -6.280 -2.791 6.913 1.00 73.23 H new ATOM 0 HA LEU A 21 -7.765 -2.943 4.451 1.00 3.21 H new ATOM 0 HB2 LEU A 21 -5.198 -4.109 5.542 1.00 74.43 H new ATOM 0 HB3 LEU A 21 -5.852 -4.666 4.014 1.00 74.43 H new ATOM 0 HG LEU A 21 -5.040 -1.819 4.664 1.00 60.24 H new ATOM 0 HD11 LEU A 21 -3.231 -2.225 3.043 1.00 63.42 H new ATOM 0 HD12 LEU A 21 -3.130 -3.328 4.435 1.00 63.42 H new ATOM 0 HD13 LEU A 21 -3.763 -3.915 2.879 1.00 63.42 H new ATOM 0 HD21 LEU A 21 -5.417 -1.389 2.266 1.00 62.52 H new ATOM 0 HD22 LEU A 21 -6.038 -3.046 2.072 1.00 62.52 H new ATOM 0 HD23 LEU A 21 -6.915 -1.881 3.092 1.00 62.52 H new ATOM 325 N LYS A 22 -7.728 -5.494 6.532 1.00 51.32 N ATOM 326 CA LYS A 22 -8.381 -6.759 6.850 1.00 2.31 C ATOM 327 C LYS A 22 -9.846 -6.539 7.214 1.00 44.31 C ATOM 328 O LYS A 22 -10.624 -7.490 7.299 1.00 24.00 O ATOM 329 CB LYS A 22 -7.656 -7.453 8.006 1.00 21.12 C ATOM 330 CG LYS A 22 -7.946 -6.838 9.364 1.00 43.31 C ATOM 331 CD LYS A 22 -7.214 -7.569 10.476 1.00 2.00 C ATOM 332 CE LYS A 22 -7.729 -7.160 11.847 1.00 14.53 C ATOM 333 NZ LYS A 22 -6.985 -7.838 12.945 1.00 52.31 N ATOM 0 H LYS A 22 -7.077 -5.164 7.245 1.00 51.32 H new ATOM 0 HA LYS A 22 -8.336 -7.395 5.966 1.00 2.31 H new ATOM 0 HB2 LYS A 22 -7.943 -8.504 8.024 1.00 21.12 H new ATOM 0 HB3 LYS A 22 -6.582 -7.418 7.823 1.00 21.12 H new ATOM 0 HG2 LYS A 22 -7.649 -5.789 9.360 1.00 43.31 H new ATOM 0 HG3 LYS A 22 -9.019 -6.865 9.555 1.00 43.31 H new ATOM 0 HD2 LYS A 22 -7.335 -8.644 10.347 1.00 2.00 H new ATOM 0 HD3 LYS A 22 -6.147 -7.358 10.410 1.00 2.00 H new ATOM 0 HE2 LYS A 22 -7.639 -6.080 11.961 1.00 14.53 H new ATOM 0 HE3 LYS A 22 -8.789 -7.402 11.924 1.00 14.53 H new ATOM 0 HZ1 LYS A 22 -7.366 -7.532 13.863 1.00 52.31 H new ATOM 0 HZ2 LYS A 22 -7.091 -8.868 12.852 1.00 52.31 H new ATOM 0 HZ3 LYS A 22 -5.977 -7.587 12.888 1.00 52.31 H new ATOM 343 N ASP A 23 -10.215 -5.280 7.427 1.00 73.41 N ATOM 344 CA ASP A 23 -11.588 -4.936 7.779 1.00 62.02 C ATOM 345 C ASP A 23 -12.278 -4.210 6.629 1.00 73.53 C ATOM 346 O ASP A 23 -13.414 -3.755 6.759 1.00 42.52 O ATOM 347 CB ASP A 23 -11.612 -4.064 9.035 1.00 24.15 C ATOM 348 CG ASP A 23 -12.839 -4.313 9.890 1.00 24.42 C ATOM 349 OD1 ASP A 23 -13.037 -5.469 10.321 1.00 73.13 O ATOM 350 OD2 ASP A 23 -13.599 -3.353 10.129 1.00 42.55 O ATOM 0 H ASP A 23 -9.583 -4.482 7.362 1.00 73.41 H new ATOM 0 HA ASP A 23 -12.128 -5.862 7.978 1.00 62.02 H new ATOM 0 HB2 ASP A 23 -10.716 -4.258 9.625 1.00 24.15 H new ATOM 0 HB3 ASP A 23 -11.582 -3.014 8.745 1.00 24.15 H new ATOM 354 N LYS A 24 -11.583 -4.104 5.500 1.00 4.23 N ATOM 355 CA LYS A 24 -12.128 -3.433 4.326 1.00 32.44 C ATOM 356 C LYS A 24 -12.176 -4.381 3.132 1.00 23.44 C ATOM 357 O LYS A 24 -11.573 -5.455 3.155 1.00 13.32 O ATOM 358 CB LYS A 24 -11.286 -2.203 3.981 1.00 73.44 C ATOM 359 CG LYS A 24 -11.598 -0.991 4.841 1.00 13.42 C ATOM 360 CD LYS A 24 -12.425 0.034 4.083 1.00 71.34 C ATOM 361 CE LYS A 24 -12.320 1.413 4.716 1.00 23.42 C ATOM 362 NZ LYS A 24 -13.586 1.812 5.390 1.00 52.12 N ATOM 0 H LYS A 24 -10.641 -4.475 5.374 1.00 4.23 H new ATOM 0 HA LYS A 24 -13.145 -3.116 4.557 1.00 32.44 H new ATOM 0 HB2 LYS A 24 -10.231 -2.453 4.090 1.00 73.44 H new ATOM 0 HB3 LYS A 24 -11.446 -1.946 2.934 1.00 73.44 H new ATOM 0 HG2 LYS A 24 -12.138 -1.307 5.734 1.00 13.42 H new ATOM 0 HG3 LYS A 24 -10.668 -0.533 5.176 1.00 13.42 H new ATOM 0 HD2 LYS A 24 -12.088 0.081 3.048 1.00 71.34 H new ATOM 0 HD3 LYS A 24 -13.468 -0.281 4.065 1.00 71.34 H new ATOM 0 HE2 LYS A 24 -11.506 1.419 5.440 1.00 23.42 H new ATOM 0 HE3 LYS A 24 -12.070 2.146 3.949 1.00 23.42 H new ATOM 0 HZ1 LYS A 24 -13.473 2.757 5.809 1.00 52.12 H new ATOM 0 HZ2 LYS A 24 -14.359 1.831 4.694 1.00 52.12 H new ATOM 0 HZ3 LYS A 24 -13.812 1.126 6.139 1.00 52.12 H new ATOM 372 N ASP A 25 -12.895 -3.978 2.090 1.00 1.12 N ATOM 373 CA ASP A 25 -13.019 -4.790 0.886 1.00 14.15 C ATOM 374 C ASP A 25 -11.650 -5.074 0.278 1.00 40.01 C ATOM 375 O ASP A 25 -10.682 -4.345 0.499 1.00 53.33 O ATOM 376 CB ASP A 25 -13.911 -4.088 -0.139 1.00 53.11 C ATOM 377 CG ASP A 25 -13.612 -2.605 -0.247 1.00 72.32 C ATOM 378 OD1 ASP A 25 -12.749 -2.233 -1.070 1.00 71.13 O ATOM 379 OD2 ASP A 25 -14.240 -1.818 0.490 1.00 32.51 O ATOM 0 H ASP A 25 -13.401 -3.093 2.055 1.00 1.12 H new ATOM 0 HA ASP A 25 -13.476 -5.740 1.164 1.00 14.15 H new ATOM 0 HB2 ASP A 25 -13.776 -4.555 -1.115 1.00 53.11 H new ATOM 0 HB3 ASP A 25 -14.956 -4.226 0.138 1.00 53.11 H new ATOM 383 N PRO A 26 -11.563 -6.158 -0.507 1.00 3.03 N ATOM 384 CA PRO A 26 -10.316 -6.563 -1.163 1.00 0.34 C ATOM 385 C PRO A 26 -9.909 -5.605 -2.276 1.00 51.24 C ATOM 386 O PRO A 26 -10.758 -5.007 -2.935 1.00 15.31 O ATOM 387 CB PRO A 26 -10.650 -7.942 -1.738 1.00 54.44 C ATOM 388 CG PRO A 26 -12.128 -7.927 -1.924 1.00 41.20 C ATOM 389 CD PRO A 26 -12.676 -7.073 -0.814 1.00 64.41 C ATOM 0 HA PRO A 26 -9.474 -6.567 -0.471 1.00 0.34 H new ATOM 0 HB2 PRO A 26 -10.134 -8.113 -2.683 1.00 54.44 H new ATOM 0 HB3 PRO A 26 -10.344 -8.738 -1.059 1.00 54.44 H new ATOM 0 HG2 PRO A 26 -12.395 -7.518 -2.899 1.00 41.20 H new ATOM 0 HG3 PRO A 26 -12.537 -8.936 -1.879 1.00 41.20 H new ATOM 0 HD2 PRO A 26 -13.568 -6.530 -1.127 1.00 64.41 H new ATOM 0 HD3 PRO A 26 -12.955 -7.671 0.053 1.00 64.41 H new ATOM 394 N GLY A 27 -8.603 -5.463 -2.481 1.00 10.14 N ATOM 395 CA GLY A 27 -8.106 -4.576 -3.517 1.00 5.43 C ATOM 396 C GLY A 27 -7.889 -3.162 -3.013 1.00 25.32 C ATOM 397 O GLY A 27 -7.239 -2.354 -3.676 1.00 13.52 O ATOM 0 H GLY A 27 -7.880 -5.946 -1.948 1.00 10.14 H new ATOM 0 HA2 GLY A 27 -7.167 -4.968 -3.907 1.00 5.43 H new ATOM 0 HA3 GLY A 27 -8.813 -4.559 -4.346 1.00 5.43 H new ATOM 401 N ALA A 28 -8.435 -2.863 -1.839 1.00 70.01 N ATOM 402 CA ALA A 28 -8.297 -1.538 -1.248 1.00 55.22 C ATOM 403 C ALA A 28 -6.868 -1.293 -0.775 1.00 14.23 C ATOM 404 O ALA A 28 -6.164 -2.226 -0.388 1.00 2.45 O ATOM 405 CB ALA A 28 -9.274 -1.371 -0.093 1.00 63.51 C ATOM 0 H ALA A 28 -8.977 -3.521 -1.278 1.00 70.01 H new ATOM 0 HA ALA A 28 -8.529 -0.799 -2.015 1.00 55.22 H new ATOM 0 HB1 ALA A 28 -9.160 -0.377 0.339 1.00 63.51 H new ATOM 0 HB2 ALA A 28 -10.294 -1.493 -0.458 1.00 63.51 H new ATOM 0 HB3 ALA A 28 -9.069 -2.123 0.669 1.00 63.51 H new ATOM 411 N PHE A 29 -6.446 -0.035 -0.809 1.00 64.33 N ATOM 412 CA PHE A 29 -5.100 0.332 -0.386 1.00 4.34 C ATOM 413 C PHE A 29 -5.122 1.606 0.455 1.00 1.05 C ATOM 414 O PHE A 29 -6.141 2.293 0.535 1.00 70.10 O ATOM 415 CB PHE A 29 -4.194 0.526 -1.603 1.00 45.33 C ATOM 416 CG PHE A 29 -4.466 1.799 -2.355 1.00 24.33 C ATOM 417 CD1 PHE A 29 -5.674 1.990 -3.004 1.00 2.20 C ATOM 418 CD2 PHE A 29 -3.512 2.802 -2.412 1.00 62.42 C ATOM 419 CE1 PHE A 29 -5.926 3.159 -3.696 1.00 73.23 C ATOM 420 CE2 PHE A 29 -3.759 3.974 -3.103 1.00 72.42 C ATOM 421 CZ PHE A 29 -4.968 4.153 -3.745 1.00 62.11 C ATOM 0 H PHE A 29 -7.017 0.749 -1.125 1.00 64.33 H new ATOM 0 HA PHE A 29 -4.705 -0.479 0.226 1.00 4.34 H new ATOM 0 HB2 PHE A 29 -3.154 0.521 -1.277 1.00 45.33 H new ATOM 0 HB3 PHE A 29 -4.320 -0.320 -2.279 1.00 45.33 H new ATOM 0 HD1 PHE A 29 -6.427 1.217 -2.969 1.00 2.20 H new ATOM 0 HD2 PHE A 29 -2.565 2.667 -1.911 1.00 62.42 H new ATOM 0 HE1 PHE A 29 -6.872 3.296 -4.199 1.00 73.23 H new ATOM 0 HE2 PHE A 29 -3.007 4.748 -3.140 1.00 72.42 H new ATOM 0 HZ PHE A 29 -5.164 5.068 -4.284 1.00 62.11 H new ATOM 430 N LEU A 30 -3.991 1.913 1.081 1.00 54.50 N ATOM 431 CA LEU A 30 -3.879 3.104 1.917 1.00 2.31 C ATOM 432 C LEU A 30 -2.428 3.560 2.024 1.00 20.42 C ATOM 433 O LEU A 30 -1.504 2.751 1.924 1.00 31.31 O ATOM 434 CB LEU A 30 -4.443 2.827 3.311 1.00 51.40 C ATOM 435 CG LEU A 30 -3.598 1.924 4.210 1.00 62.21 C ATOM 436 CD1 LEU A 30 -2.868 2.747 5.261 1.00 53.34 C ATOM 437 CD2 LEU A 30 -4.467 0.863 4.870 1.00 63.13 C ATOM 0 H LEU A 30 -3.139 1.355 1.026 1.00 54.50 H new ATOM 0 HA LEU A 30 -4.457 3.901 1.450 1.00 2.31 H new ATOM 0 HB2 LEU A 30 -4.586 3.781 3.819 1.00 51.40 H new ATOM 0 HB3 LEU A 30 -5.428 2.375 3.199 1.00 51.40 H new ATOM 0 HG LEU A 30 -2.855 1.422 3.591 1.00 62.21 H new ATOM 0 HD11 LEU A 30 -2.272 2.087 5.891 1.00 53.34 H new ATOM 0 HD12 LEU A 30 -2.214 3.467 4.769 1.00 53.34 H new ATOM 0 HD13 LEU A 30 -3.594 3.278 5.877 1.00 53.34 H new ATOM 0 HD21 LEU A 30 -3.848 0.230 5.506 1.00 63.13 H new ATOM 0 HD22 LEU A 30 -5.234 1.346 5.475 1.00 63.13 H new ATOM 0 HD23 LEU A 30 -4.942 0.252 4.102 1.00 63.13 H new ATOM 448 N ILE A 31 -2.234 4.857 2.230 1.00 4.41 N ATOM 449 CA ILE A 31 -0.894 5.420 2.355 1.00 53.03 C ATOM 450 C ILE A 31 -0.656 5.967 3.757 1.00 11.52 C ATOM 451 O ILE A 31 -1.545 6.571 4.358 1.00 4.45 O ATOM 452 CB ILE A 31 -0.660 6.545 1.330 1.00 64.41 C ATOM 453 CG1 ILE A 31 -0.900 6.030 -0.091 1.00 10.22 C ATOM 454 CG2 ILE A 31 0.751 7.098 1.465 1.00 21.35 C ATOM 455 CD1 ILE A 31 -1.843 6.896 -0.896 1.00 13.43 C ATOM 0 H ILE A 31 -2.987 5.539 2.314 1.00 4.41 H new ATOM 0 HA ILE A 31 -0.191 4.610 2.161 1.00 53.03 H new ATOM 0 HB ILE A 31 -1.368 7.350 1.529 1.00 64.41 H new ATOM 0 HG12 ILE A 31 0.055 5.966 -0.612 1.00 10.22 H new ATOM 0 HG13 ILE A 31 -1.303 5.019 -0.039 1.00 10.22 H new ATOM 0 HG21 ILE A 31 0.902 7.892 0.734 1.00 21.35 H new ATOM 0 HG22 ILE A 31 0.891 7.498 2.469 1.00 21.35 H new ATOM 0 HG23 ILE A 31 1.473 6.301 1.288 1.00 21.35 H new ATOM 0 HD11 ILE A 31 -1.967 6.471 -1.892 1.00 13.43 H new ATOM 0 HD12 ILE A 31 -2.811 6.940 -0.398 1.00 13.43 H new ATOM 0 HD13 ILE A 31 -1.432 7.902 -0.979 1.00 13.43 H new ATOM 466 N ARG A 32 0.550 5.753 4.273 1.00 72.12 N ATOM 467 CA ARG A 32 0.906 6.225 5.605 1.00 45.52 C ATOM 468 C ARG A 32 2.338 6.752 5.632 1.00 75.44 C ATOM 469 O ARG A 32 3.122 6.491 4.718 1.00 4.21 O ATOM 470 CB ARG A 32 0.746 5.100 6.628 1.00 2.25 C ATOM 471 CG ARG A 32 1.840 4.047 6.551 1.00 33.12 C ATOM 472 CD ARG A 32 1.259 2.642 6.513 1.00 54.33 C ATOM 473 NE ARG A 32 2.267 1.624 6.796 1.00 52.52 N ATOM 474 CZ ARG A 32 2.139 0.348 6.453 1.00 61.30 C ATOM 475 NH1 ARG A 32 1.053 -0.065 5.815 1.00 34.44 N ATOM 476 NH2 ARG A 32 3.100 -0.519 6.746 1.00 50.31 N ATOM 0 H ARG A 32 1.297 5.256 3.788 1.00 72.12 H new ATOM 0 HA ARG A 32 0.232 7.042 5.865 1.00 45.52 H new ATOM 0 HB2 ARG A 32 0.737 5.530 7.630 1.00 2.25 H new ATOM 0 HB3 ARG A 32 -0.221 4.619 6.479 1.00 2.25 H new ATOM 0 HG2 ARG A 32 2.447 4.215 5.661 1.00 33.12 H new ATOM 0 HG3 ARG A 32 2.502 4.145 7.411 1.00 33.12 H new ATOM 0 HD2 ARG A 32 0.451 2.564 7.241 1.00 54.33 H new ATOM 0 HD3 ARG A 32 0.823 2.457 5.531 1.00 54.33 H new ATOM 0 HE ARG A 32 3.116 1.909 7.284 1.00 52.52 H new ATOM 0 HH11 ARG A 32 0.313 0.598 5.586 1.00 34.44 H new ATOM 0 HH12 ARG A 32 0.958 -1.046 5.553 1.00 34.44 H new ATOM 0 HH21 ARG A 32 3.938 -0.205 7.235 1.00 50.31 H new ATOM 0 HH22 ARG A 32 3.000 -1.499 6.482 1.00 50.31 H new ATOM 487 N ASP A 33 2.671 7.494 6.682 1.00 34.10 N ATOM 488 CA ASP A 33 4.008 8.057 6.827 1.00 30.43 C ATOM 489 C ASP A 33 5.042 6.955 7.039 1.00 75.50 C ATOM 490 O ASP A 33 4.968 6.199 8.008 1.00 70.24 O ATOM 491 CB ASP A 33 4.047 9.041 7.997 1.00 42.15 C ATOM 492 CG ASP A 33 5.282 9.920 7.974 1.00 23.54 C ATOM 493 OD1 ASP A 33 6.203 9.629 7.182 1.00 73.43 O ATOM 494 OD2 ASP A 33 5.328 10.897 8.749 1.00 24.33 O ATOM 0 H ASP A 33 2.033 7.720 7.445 1.00 34.10 H new ATOM 0 HA ASP A 33 4.253 8.588 5.907 1.00 30.43 H new ATOM 0 HB2 ASP A 33 3.157 9.669 7.969 1.00 42.15 H new ATOM 0 HB3 ASP A 33 4.017 8.487 8.935 1.00 42.15 H new ATOM 498 N SER A 34 6.004 6.869 6.126 1.00 54.40 N ATOM 499 CA SER A 34 7.049 5.856 6.210 1.00 3.12 C ATOM 500 C SER A 34 8.132 6.274 7.200 1.00 21.22 C ATOM 501 O SER A 34 9.016 7.067 6.872 1.00 31.11 O ATOM 502 CB SER A 34 7.668 5.614 4.832 1.00 71.21 C ATOM 503 OG SER A 34 8.413 4.409 4.811 1.00 11.30 O ATOM 0 H SER A 34 6.081 7.489 5.320 1.00 54.40 H new ATOM 0 HA SER A 34 6.595 4.930 6.563 1.00 3.12 H new ATOM 0 HB2 SER A 34 6.881 5.572 4.079 1.00 71.21 H new ATOM 0 HB3 SER A 34 8.316 6.450 4.569 1.00 71.21 H new ATOM 0 HG SER A 34 8.796 4.277 3.919 1.00 11.30 H new ATOM 508 N HIS A 35 8.057 5.735 8.413 1.00 64.23 N ATOM 509 CA HIS A 35 9.032 6.052 9.451 1.00 3.53 C ATOM 510 C HIS A 35 10.397 5.460 9.115 1.00 34.23 C ATOM 511 O HIS A 35 11.401 5.793 9.744 1.00 32.23 O ATOM 512 CB HIS A 35 8.554 5.526 10.805 1.00 33.24 C ATOM 513 CG HIS A 35 8.697 6.518 11.918 1.00 22.40 C ATOM 514 ND1 HIS A 35 9.810 6.584 12.730 1.00 54.41 N ATOM 515 CD2 HIS A 35 7.859 7.490 12.351 1.00 70.55 C ATOM 516 CE1 HIS A 35 9.650 7.552 13.614 1.00 15.51 C ATOM 517 NE2 HIS A 35 8.475 8.118 13.406 1.00 31.42 N ATOM 0 H HIS A 35 7.332 5.078 8.701 1.00 64.23 H new ATOM 0 HA HIS A 35 9.130 7.136 9.504 1.00 3.53 H new ATOM 0 HB2 HIS A 35 7.507 5.233 10.723 1.00 33.24 H new ATOM 0 HB3 HIS A 35 9.118 4.627 11.056 1.00 33.24 H new ATOM 0 HD2 HIS A 35 6.888 7.727 11.943 1.00 70.55 H new ATOM 0 HE1 HIS A 35 10.360 7.833 14.378 1.00 15.51 H new ATOM 0 HE2 HIS A 35 8.088 8.895 13.942 1.00 31.42 H new ATOM 524 N SER A 36 10.426 4.579 8.120 1.00 54.44 N ATOM 525 CA SER A 36 11.666 3.937 7.702 1.00 22.12 C ATOM 526 C SER A 36 12.751 4.975 7.434 1.00 31.40 C ATOM 527 O SER A 36 13.682 5.135 8.222 1.00 5.15 O ATOM 528 CB SER A 36 11.431 3.092 6.448 1.00 3.45 C ATOM 529 OG SER A 36 10.884 1.827 6.781 1.00 4.22 O ATOM 0 H SER A 36 9.604 4.294 7.588 1.00 54.44 H new ATOM 0 HA SER A 36 12.001 3.287 8.511 1.00 22.12 H new ATOM 0 HB2 SER A 36 10.756 3.617 5.773 1.00 3.45 H new ATOM 0 HB3 SER A 36 12.372 2.956 5.915 1.00 3.45 H new ATOM 0 HG SER A 36 10.741 1.307 5.963 1.00 4.22 H new ATOM 534 N PHE A 37 12.624 5.678 6.314 1.00 62.41 N ATOM 535 CA PHE A 37 13.594 6.700 5.939 1.00 53.24 C ATOM 536 C PHE A 37 12.896 7.919 5.341 1.00 32.42 C ATOM 537 O PHE A 37 11.761 7.830 4.876 1.00 73.30 O ATOM 538 CB PHE A 37 14.603 6.134 4.937 1.00 12.33 C ATOM 539 CG PHE A 37 15.880 5.663 5.573 1.00 54.40 C ATOM 540 CD1 PHE A 37 15.997 4.363 6.041 1.00 45.35 C ATOM 541 CD2 PHE A 37 16.962 6.519 5.703 1.00 14.34 C ATOM 542 CE1 PHE A 37 17.170 3.928 6.627 1.00 63.13 C ATOM 543 CE2 PHE A 37 18.137 6.088 6.288 1.00 41.54 C ATOM 544 CZ PHE A 37 18.242 4.790 6.750 1.00 41.53 C ATOM 0 H PHE A 37 11.859 5.559 5.650 1.00 62.41 H new ATOM 0 HA PHE A 37 14.123 7.011 6.840 1.00 53.24 H new ATOM 0 HB2 PHE A 37 14.144 5.302 4.402 1.00 12.33 H new ATOM 0 HB3 PHE A 37 14.836 6.899 4.197 1.00 12.33 H new ATOM 0 HD1 PHE A 37 15.163 3.684 5.946 1.00 45.35 H new ATOM 0 HD2 PHE A 37 16.886 7.534 5.343 1.00 14.34 H new ATOM 0 HE1 PHE A 37 17.249 2.914 6.989 1.00 63.13 H new ATOM 0 HE2 PHE A 37 18.973 6.765 6.384 1.00 41.54 H new ATOM 0 HZ PHE A 37 19.160 4.450 7.206 1.00 41.53 H new ATOM 553 N GLN A 38 13.584 9.056 5.358 1.00 24.32 N ATOM 554 CA GLN A 38 13.031 10.291 4.820 1.00 43.55 C ATOM 555 C GLN A 38 12.727 10.150 3.332 1.00 60.31 C ATOM 556 O GLN A 38 13.440 9.458 2.606 1.00 22.23 O ATOM 557 CB GLN A 38 14.003 11.451 5.045 1.00 70.25 C ATOM 558 CG GLN A 38 15.240 11.389 4.163 1.00 51.42 C ATOM 559 CD GLN A 38 16.478 11.922 4.856 1.00 54.50 C ATOM 560 OE1 GLN A 38 16.811 11.505 5.966 1.00 33.41 O ATOM 561 NE2 GLN A 38 17.168 12.851 4.205 1.00 71.12 N ATOM 0 H GLN A 38 14.526 9.146 5.739 1.00 24.32 H new ATOM 0 HA GLN A 38 12.099 10.499 5.345 1.00 43.55 H new ATOM 0 HB2 GLN A 38 13.483 12.391 4.861 1.00 70.25 H new ATOM 0 HB3 GLN A 38 14.312 11.457 6.090 1.00 70.25 H new ATOM 0 HG2 GLN A 38 15.414 10.357 3.860 1.00 51.42 H new ATOM 0 HG3 GLN A 38 15.062 11.963 3.253 1.00 51.42 H new ATOM 0 HE21 GLN A 38 16.856 13.168 3.287 1.00 71.12 H new ATOM 0 HE22 GLN A 38 18.010 13.248 4.623 1.00 71.12 H new ATOM 568 N GLY A 39 11.662 10.809 2.884 1.00 63.31 N ATOM 569 CA GLY A 39 11.283 10.742 1.485 1.00 54.53 C ATOM 570 C GLY A 39 10.720 9.388 1.101 1.00 23.14 C ATOM 571 O GLY A 39 10.872 8.945 -0.037 1.00 22.20 O ATOM 0 H GLY A 39 11.056 11.388 3.465 1.00 63.31 H new ATOM 0 HA2 GLY A 39 10.542 11.513 1.275 1.00 54.53 H new ATOM 0 HA3 GLY A 39 12.153 10.959 0.865 1.00 54.53 H new ATOM 575 N ALA A 40 10.071 8.727 2.054 1.00 30.44 N ATOM 576 CA ALA A 40 9.484 7.415 1.809 1.00 41.25 C ATOM 577 C ALA A 40 8.022 7.378 2.242 1.00 70.05 C ATOM 578 O ALA A 40 7.618 8.093 3.158 1.00 52.21 O ATOM 579 CB ALA A 40 10.278 6.338 2.534 1.00 31.00 C ATOM 0 H ALA A 40 9.938 9.078 3.002 1.00 30.44 H new ATOM 0 HA ALA A 40 9.524 7.221 0.737 1.00 41.25 H new ATOM 0 HB1 ALA A 40 9.829 5.364 2.342 1.00 31.00 H new ATOM 0 HB2 ALA A 40 11.307 6.340 2.174 1.00 31.00 H new ATOM 0 HB3 ALA A 40 10.268 6.538 3.605 1.00 31.00 H new ATOM 585 N TYR A 41 7.234 6.542 1.574 1.00 2.34 N ATOM 586 CA TYR A 41 5.816 6.415 1.888 1.00 15.44 C ATOM 587 C TYR A 41 5.415 4.949 2.012 1.00 13.25 C ATOM 588 O TYR A 41 5.755 4.126 1.163 1.00 53.41 O ATOM 589 CB TYR A 41 4.971 7.097 0.811 1.00 33.41 C ATOM 590 CG TYR A 41 4.835 8.590 1.003 1.00 51.42 C ATOM 591 CD1 TYR A 41 5.834 9.459 0.583 1.00 60.44 C ATOM 592 CD2 TYR A 41 3.706 9.133 1.604 1.00 71.30 C ATOM 593 CE1 TYR A 41 5.715 10.824 0.757 1.00 54.51 C ATOM 594 CE2 TYR A 41 3.577 10.497 1.781 1.00 12.24 C ATOM 595 CZ TYR A 41 4.584 11.338 1.357 1.00 42.12 C ATOM 596 OH TYR A 41 4.460 12.698 1.530 1.00 3.34 O ATOM 0 H TYR A 41 7.553 5.943 0.813 1.00 2.34 H new ATOM 0 HA TYR A 41 5.636 6.904 2.845 1.00 15.44 H new ATOM 0 HB2 TYR A 41 5.417 6.904 -0.165 1.00 33.41 H new ATOM 0 HB3 TYR A 41 3.978 6.648 0.802 1.00 33.41 H new ATOM 0 HD1 TYR A 41 6.720 9.060 0.112 1.00 60.44 H new ATOM 0 HD2 TYR A 41 2.916 8.477 1.939 1.00 71.30 H new ATOM 0 HE1 TYR A 41 6.502 11.485 0.425 1.00 54.51 H new ATOM 0 HE2 TYR A 41 2.692 10.902 2.249 1.00 12.24 H new ATOM 0 HH TYR A 41 3.605 12.896 1.966 1.00 3.34 H new ATOM 605 N GLY A 42 4.689 4.629 3.079 1.00 14.10 N ATOM 606 CA GLY A 42 4.251 3.262 3.297 1.00 34.55 C ATOM 607 C GLY A 42 2.946 2.951 2.591 1.00 33.21 C ATOM 608 O GLY A 42 1.903 3.518 2.920 1.00 60.21 O ATOM 0 H GLY A 42 4.396 5.292 3.797 1.00 14.10 H new ATOM 0 HA2 GLY A 42 5.022 2.576 2.946 1.00 34.55 H new ATOM 0 HA3 GLY A 42 4.132 3.088 4.366 1.00 34.55 H new ATOM 612 N LEU A 43 3.002 2.049 1.618 1.00 71.24 N ATOM 613 CA LEU A 43 1.815 1.664 0.861 1.00 1.40 C ATOM 614 C LEU A 43 1.329 0.280 1.278 1.00 60.10 C ATOM 615 O LEU A 43 2.078 -0.695 1.220 1.00 4.54 O ATOM 616 CB LEU A 43 2.114 1.683 -0.639 1.00 54.42 C ATOM 617 CG LEU A 43 0.992 1.188 -1.553 1.00 14.24 C ATOM 618 CD1 LEU A 43 0.005 2.309 -1.841 1.00 34.44 C ATOM 619 CD2 LEU A 43 1.565 0.634 -2.848 1.00 33.54 C ATOM 0 H LEU A 43 3.857 1.570 1.334 1.00 71.24 H new ATOM 0 HA LEU A 43 1.027 2.385 1.076 1.00 1.40 H new ATOM 0 HB2 LEU A 43 2.366 2.704 -0.926 1.00 54.42 H new ATOM 0 HB3 LEU A 43 2.999 1.073 -0.821 1.00 54.42 H new ATOM 0 HG LEU A 43 0.460 0.386 -1.042 1.00 14.24 H new ATOM 0 HD11 LEU A 43 -0.786 1.939 -2.493 1.00 34.44 H new ATOM 0 HD12 LEU A 43 -0.430 2.660 -0.905 1.00 34.44 H new ATOM 0 HD13 LEU A 43 0.523 3.133 -2.332 1.00 34.44 H new ATOM 0 HD21 LEU A 43 0.752 0.286 -3.486 1.00 33.54 H new ATOM 0 HD22 LEU A 43 2.122 1.416 -3.364 1.00 33.54 H new ATOM 0 HD23 LEU A 43 2.232 -0.199 -2.624 1.00 33.54 H new ATOM 630 N ALA A 44 0.069 0.202 1.695 1.00 60.32 N ATOM 631 CA ALA A 44 -0.518 -1.064 2.117 1.00 72.04 C ATOM 632 C ALA A 44 -1.698 -1.445 1.229 1.00 10.11 C ATOM 633 O ALA A 44 -2.524 -0.600 0.880 1.00 1.02 O ATOM 634 CB ALA A 44 -0.954 -0.984 3.573 1.00 51.12 C ATOM 0 H ALA A 44 -0.564 1.000 1.749 1.00 60.32 H new ATOM 0 HA ALA A 44 0.242 -1.839 2.019 1.00 72.04 H new ATOM 0 HB1 ALA A 44 -1.391 -1.936 3.875 1.00 51.12 H new ATOM 0 HB2 ALA A 44 -0.090 -0.766 4.200 1.00 51.12 H new ATOM 0 HB3 ALA A 44 -1.695 -0.193 3.688 1.00 51.12 H new ATOM 640 N LEU A 45 -1.771 -2.720 0.866 1.00 75.14 N ATOM 641 CA LEU A 45 -2.850 -3.213 0.016 1.00 13.34 C ATOM 642 C LEU A 45 -3.403 -4.531 0.549 1.00 44.50 C ATOM 643 O LEU A 45 -2.665 -5.352 1.092 1.00 22.14 O ATOM 644 CB LEU A 45 -2.354 -3.398 -1.418 1.00 72.32 C ATOM 645 CG LEU A 45 -3.265 -4.202 -2.346 1.00 53.43 C ATOM 646 CD1 LEU A 45 -4.573 -3.462 -2.582 1.00 45.03 C ATOM 647 CD2 LEU A 45 -2.565 -4.485 -3.667 1.00 32.15 C ATOM 0 H LEU A 45 -1.096 -3.432 1.146 1.00 75.14 H new ATOM 0 HA LEU A 45 -3.651 -2.474 0.023 1.00 13.34 H new ATOM 0 HB2 LEU A 45 -2.200 -2.413 -1.858 1.00 72.32 H new ATOM 0 HB3 LEU A 45 -1.381 -3.888 -1.384 1.00 72.32 H new ATOM 0 HG LEU A 45 -3.491 -5.154 -1.866 1.00 53.43 H new ATOM 0 HD11 LEU A 45 -5.209 -4.049 -3.245 1.00 45.03 H new ATOM 0 HD12 LEU A 45 -5.082 -3.311 -1.630 1.00 45.03 H new ATOM 0 HD13 LEU A 45 -4.366 -2.495 -3.040 1.00 45.03 H new ATOM 0 HD21 LEU A 45 -3.228 -5.058 -4.315 1.00 32.15 H new ATOM 0 HD22 LEU A 45 -2.309 -3.543 -4.152 1.00 32.15 H new ATOM 0 HD23 LEU A 45 -1.656 -5.057 -3.482 1.00 32.15 H new ATOM 658 N LYS A 46 -4.708 -4.728 0.388 1.00 71.42 N ATOM 659 CA LYS A 46 -5.360 -5.947 0.848 1.00 14.04 C ATOM 660 C LYS A 46 -5.627 -6.896 -0.316 1.00 71.33 C ATOM 661 O LYS A 46 -6.072 -6.474 -1.384 1.00 13.12 O ATOM 662 CB LYS A 46 -6.674 -5.610 1.556 1.00 34.13 C ATOM 663 CG LYS A 46 -7.153 -6.699 2.502 1.00 22.10 C ATOM 664 CD LYS A 46 -8.613 -7.040 2.266 1.00 13.54 C ATOM 665 CE LYS A 46 -9.087 -8.140 3.205 1.00 72.11 C ATOM 666 NZ LYS A 46 -10.153 -7.661 4.129 1.00 25.20 N ATOM 0 H LYS A 46 -5.334 -4.058 -0.058 1.00 71.42 H new ATOM 0 HA LYS A 46 -4.691 -6.443 1.551 1.00 14.04 H new ATOM 0 HB2 LYS A 46 -6.548 -4.684 2.116 1.00 34.13 H new ATOM 0 HB3 LYS A 46 -7.444 -5.427 0.807 1.00 34.13 H new ATOM 0 HG2 LYS A 46 -6.544 -7.593 2.368 1.00 22.10 H new ATOM 0 HG3 LYS A 46 -7.017 -6.372 3.533 1.00 22.10 H new ATOM 0 HD2 LYS A 46 -9.224 -6.149 2.410 1.00 13.54 H new ATOM 0 HD3 LYS A 46 -8.751 -7.358 1.233 1.00 13.54 H new ATOM 0 HE2 LYS A 46 -9.464 -8.979 2.620 1.00 72.11 H new ATOM 0 HE3 LYS A 46 -8.242 -8.510 3.786 1.00 72.11 H new ATOM 0 HZ1 LYS A 46 -10.329 -8.381 4.859 1.00 25.20 H new ATOM 0 HZ2 LYS A 46 -9.848 -6.776 4.582 1.00 25.20 H new ATOM 0 HZ3 LYS A 46 -11.027 -7.491 3.592 1.00 25.20 H new ATOM 676 N VAL A 47 -5.352 -8.178 -0.104 1.00 32.41 N ATOM 677 CA VAL A 47 -5.563 -9.187 -1.136 1.00 53.43 C ATOM 678 C VAL A 47 -6.938 -9.832 -0.999 1.00 52.23 C ATOM 679 O VAL A 47 -7.563 -9.768 0.060 1.00 51.22 O ATOM 680 CB VAL A 47 -4.485 -10.286 -1.078 1.00 42.45 C ATOM 681 CG1 VAL A 47 -3.096 -9.675 -1.176 1.00 64.11 C ATOM 682 CG2 VAL A 47 -4.628 -11.104 0.196 1.00 64.10 C ATOM 0 H VAL A 47 -4.982 -8.544 0.774 1.00 32.41 H new ATOM 0 HA VAL A 47 -5.497 -8.676 -2.096 1.00 53.43 H new ATOM 0 HB VAL A 47 -4.623 -10.953 -1.929 1.00 42.45 H new ATOM 0 HG11 VAL A 47 -2.347 -10.466 -1.133 1.00 64.11 H new ATOM 0 HG12 VAL A 47 -3.001 -9.136 -2.119 1.00 64.11 H new ATOM 0 HG13 VAL A 47 -2.943 -8.985 -0.346 1.00 64.11 H new ATOM 0 HG21 VAL A 47 -3.859 -11.876 0.221 1.00 64.10 H new ATOM 0 HG22 VAL A 47 -4.516 -10.452 1.062 1.00 64.10 H new ATOM 0 HG23 VAL A 47 -5.612 -11.572 0.220 1.00 64.10 H new ATOM 692 N ALA A 48 -7.404 -10.454 -2.077 1.00 11.22 N ATOM 693 CA ALA A 48 -8.704 -11.114 -2.077 1.00 73.11 C ATOM 694 C ALA A 48 -8.550 -12.630 -2.081 1.00 20.45 C ATOM 695 O ALA A 48 -9.433 -13.354 -2.544 1.00 24.44 O ATOM 696 CB ALA A 48 -9.526 -10.661 -3.274 1.00 61.53 C ATOM 0 H ALA A 48 -6.900 -10.515 -2.962 1.00 11.22 H new ATOM 0 HA ALA A 48 -9.227 -10.831 -1.164 1.00 73.11 H new ATOM 0 HB1 ALA A 48 -10.494 -11.162 -3.261 1.00 61.53 H new ATOM 0 HB2 ALA A 48 -9.675 -9.582 -3.226 1.00 61.53 H new ATOM 0 HB3 ALA A 48 -8.999 -10.914 -4.194 1.00 61.53 H new ATOM 702 N THR A 49 -7.422 -13.108 -1.563 1.00 63.35 N ATOM 703 CA THR A 49 -7.151 -14.539 -1.510 1.00 12.31 C ATOM 704 C THR A 49 -5.799 -14.819 -0.864 1.00 1.14 C ATOM 705 O THR A 49 -4.852 -14.041 -0.986 1.00 53.03 O ATOM 706 CB THR A 49 -7.177 -15.169 -2.915 1.00 24.42 C ATOM 707 OG1 THR A 49 -6.481 -16.421 -2.904 1.00 45.41 O ATOM 708 CG2 THR A 49 -6.540 -14.239 -3.936 1.00 34.11 C ATOM 0 H THR A 49 -6.682 -12.524 -1.174 1.00 63.35 H new ATOM 0 HA THR A 49 -7.939 -14.987 -0.905 1.00 12.31 H new ATOM 0 HB THR A 49 -8.217 -15.334 -3.196 1.00 24.42 H new ATOM 0 HG1 THR A 49 -6.504 -16.816 -3.801 1.00 45.41 H new ATOM 0 HG21 THR A 49 -6.570 -14.705 -4.921 1.00 34.11 H new ATOM 0 HG22 THR A 49 -7.089 -13.298 -3.963 1.00 34.11 H new ATOM 0 HG23 THR A 49 -5.504 -14.047 -3.657 1.00 34.11 H new ATOM 716 N PRO A 50 -5.703 -15.956 -0.159 1.00 61.42 N ATOM 717 CA PRO A 50 -4.469 -16.365 0.518 1.00 70.41 C ATOM 718 C PRO A 50 -3.373 -16.765 -0.464 1.00 61.42 C ATOM 719 O PRO A 50 -3.612 -16.947 -1.658 1.00 24.34 O ATOM 720 CB PRO A 50 -4.906 -17.572 1.352 1.00 22.51 C ATOM 721 CG PRO A 50 -6.093 -18.117 0.637 1.00 54.31 C ATOM 722 CD PRO A 50 -6.790 -16.930 0.029 1.00 32.50 C ATOM 0 HA PRO A 50 -4.040 -15.555 1.107 1.00 70.41 H new ATOM 0 HB2 PRO A 50 -4.111 -18.314 1.421 1.00 22.51 H new ATOM 0 HB3 PRO A 50 -5.158 -17.279 2.371 1.00 22.51 H new ATOM 0 HG2 PRO A 50 -5.793 -18.829 -0.131 1.00 54.31 H new ATOM 0 HG3 PRO A 50 -6.753 -18.648 1.323 1.00 54.31 H new ATOM 0 HD2 PRO A 50 -7.268 -17.186 -0.916 1.00 32.50 H new ATOM 0 HD3 PRO A 50 -7.569 -16.542 0.685 1.00 32.50 H new ATOM 727 N PRO A 51 -2.141 -16.906 0.047 1.00 1.13 N ATOM 728 CA PRO A 51 -0.984 -17.288 -0.768 1.00 44.12 C ATOM 729 C PRO A 51 -1.060 -18.735 -1.241 1.00 22.31 C ATOM 730 O PRO A 51 -1.879 -19.525 -0.772 1.00 1.51 O ATOM 731 CB PRO A 51 0.200 -17.098 0.185 1.00 52.54 C ATOM 732 CG PRO A 51 -0.383 -17.249 1.547 1.00 52.53 C ATOM 733 CD PRO A 51 -1.783 -16.706 1.462 1.00 62.14 C ATOM 0 HA PRO A 51 -0.914 -16.695 -1.680 1.00 44.12 H new ATOM 0 HB2 PRO A 51 0.978 -17.839 0.003 1.00 52.54 H new ATOM 0 HB3 PRO A 51 0.658 -16.117 0.057 1.00 52.54 H new ATOM 0 HG2 PRO A 51 -0.388 -18.294 1.855 1.00 52.53 H new ATOM 0 HG3 PRO A 51 0.203 -16.702 2.285 1.00 52.53 H new ATOM 0 HD2 PRO A 51 -2.462 -17.239 2.128 1.00 62.14 H new ATOM 0 HD3 PRO A 51 -1.823 -15.653 1.742 1.00 62.14 H new ATOM 738 N PRO A 52 -0.185 -19.095 -2.192 1.00 45.55 N ATOM 739 CA PRO A 52 -0.133 -20.449 -2.748 1.00 34.43 C ATOM 740 C PRO A 52 0.392 -21.469 -1.744 1.00 41.22 C ATOM 741 O PRO A 52 -0.179 -22.548 -1.584 1.00 64.41 O ATOM 742 CB PRO A 52 0.835 -20.312 -3.927 1.00 2.13 C ATOM 743 CG PRO A 52 1.697 -19.148 -3.576 1.00 13.54 C ATOM 744 CD PRO A 52 0.821 -18.205 -2.798 1.00 0.12 C ATOM 0 HA PRO A 52 -1.122 -20.811 -3.030 1.00 34.43 H new ATOM 0 HB2 PRO A 52 1.427 -21.217 -4.060 1.00 2.13 H new ATOM 0 HB3 PRO A 52 0.300 -20.141 -4.861 1.00 2.13 H new ATOM 0 HG2 PRO A 52 2.555 -19.463 -2.983 1.00 13.54 H new ATOM 0 HG3 PRO A 52 2.088 -18.667 -4.473 1.00 13.54 H new ATOM 0 HD2 PRO A 52 1.387 -17.664 -2.040 1.00 0.12 H new ATOM 0 HD3 PRO A 52 0.360 -17.459 -3.445 1.00 0.12 H new ATOM 749 N SER A 53 1.483 -21.120 -1.067 1.00 55.54 N ATOM 750 CA SER A 53 2.086 -22.007 -0.080 1.00 60.33 C ATOM 751 C SER A 53 3.190 -21.290 0.690 1.00 63.12 C ATOM 752 O SER A 53 4.367 -21.631 0.572 1.00 43.31 O ATOM 753 CB SER A 53 2.651 -23.254 -0.762 1.00 1.32 C ATOM 754 OG SER A 53 1.672 -24.275 -0.849 1.00 73.02 O ATOM 0 H SER A 53 1.966 -20.229 -1.185 1.00 55.54 H new ATOM 0 HA SER A 53 1.311 -22.307 0.625 1.00 60.33 H new ATOM 0 HB2 SER A 53 3.004 -22.998 -1.761 1.00 1.32 H new ATOM 0 HB3 SER A 53 3.513 -23.619 -0.204 1.00 1.32 H new ATOM 0 HG SER A 53 0.895 -23.942 -1.344 1.00 73.02 H new ATOM 759 N ALA A 54 2.801 -20.294 1.480 1.00 44.11 N ATOM 760 CA ALA A 54 3.757 -19.530 2.272 1.00 63.34 C ATOM 761 C ALA A 54 3.526 -19.740 3.764 1.00 42.32 C ATOM 762 O ALA A 54 3.040 -18.847 4.457 1.00 24.23 O ATOM 763 CB ALA A 54 3.667 -18.050 1.925 1.00 74.00 C ATOM 0 H ALA A 54 1.831 -19.998 1.588 1.00 44.11 H new ATOM 0 HA ALA A 54 4.758 -19.888 2.032 1.00 63.34 H new ATOM 0 HB1 ALA A 54 4.386 -17.491 2.524 1.00 74.00 H new ATOM 0 HB2 ALA A 54 3.889 -17.910 0.867 1.00 74.00 H new ATOM 0 HB3 ALA A 54 2.661 -17.688 2.135 1.00 74.00 H new ATOM 769 N GLN A 55 3.877 -20.926 4.251 1.00 3.23 N ATOM 770 CA GLN A 55 3.707 -21.252 5.662 1.00 13.40 C ATOM 771 C GLN A 55 2.251 -21.087 6.086 1.00 24.01 C ATOM 772 O GLN A 55 1.890 -20.153 6.804 1.00 23.51 O ATOM 773 CB GLN A 55 4.606 -20.366 6.526 1.00 74.30 C ATOM 774 CG GLN A 55 6.073 -20.420 6.129 1.00 44.32 C ATOM 775 CD GLN A 55 6.780 -21.645 6.674 1.00 11.32 C ATOM 776 OE1 GLN A 55 6.816 -21.869 7.884 1.00 13.22 O ATOM 777 NE2 GLN A 55 7.347 -22.447 5.780 1.00 25.24 N ATOM 0 H GLN A 55 4.280 -21.676 3.690 1.00 3.23 H new ATOM 0 HA GLN A 55 3.993 -22.294 5.805 1.00 13.40 H new ATOM 0 HB2 GLN A 55 4.258 -19.335 6.460 1.00 74.30 H new ATOM 0 HB3 GLN A 55 4.508 -20.670 7.568 1.00 74.30 H new ATOM 0 HG2 GLN A 55 6.152 -20.413 5.042 1.00 44.32 H new ATOM 0 HG3 GLN A 55 6.577 -19.524 6.491 1.00 44.32 H new ATOM 0 HE21 GLN A 55 7.293 -22.223 4.786 1.00 25.24 H new ATOM 0 HE22 GLN A 55 7.837 -23.287 6.087 1.00 25.24 H new ATOM 784 N PRO A 56 1.393 -22.014 5.635 1.00 40.21 N ATOM 785 CA PRO A 56 -0.038 -21.992 5.956 1.00 65.33 C ATOM 786 C PRO A 56 -0.307 -22.315 7.421 1.00 3.41 C ATOM 787 O PRO A 56 0.358 -23.165 8.012 1.00 11.01 O ATOM 788 CB PRO A 56 -0.620 -23.081 5.052 1.00 41.31 C ATOM 789 CG PRO A 56 0.516 -24.010 4.796 1.00 45.55 C ATOM 790 CD PRO A 56 1.754 -23.154 4.776 1.00 14.14 C ATOM 0 HA PRO A 56 -0.477 -21.007 5.797 1.00 65.33 H new ATOM 0 HB2 PRO A 56 -1.450 -23.595 5.536 1.00 41.31 H new ATOM 0 HB3 PRO A 56 -1.004 -22.660 4.123 1.00 41.31 H new ATOM 0 HG2 PRO A 56 0.580 -24.771 5.573 1.00 45.55 H new ATOM 0 HG3 PRO A 56 0.387 -24.532 3.848 1.00 45.55 H new ATOM 0 HD2 PRO A 56 2.620 -23.691 5.163 1.00 14.14 H new ATOM 0 HD3 PRO A 56 2.004 -22.832 3.765 1.00 14.14 H new ATOM 795 N TRP A 57 -1.287 -21.632 8.002 1.00 44.14 N ATOM 796 CA TRP A 57 -1.646 -21.846 9.399 1.00 21.44 C ATOM 797 C TRP A 57 -3.150 -22.040 9.552 1.00 34.04 C ATOM 798 O TRP A 57 -3.920 -21.750 8.635 1.00 5.30 O ATOM 799 CB TRP A 57 -1.181 -20.666 10.254 1.00 73.45 C ATOM 800 CG TRP A 57 -0.362 -21.077 11.440 1.00 70.15 C ATOM 801 CD1 TRP A 57 -0.828 -21.429 12.674 1.00 21.24 C ATOM 802 CD2 TRP A 57 1.065 -21.177 11.503 1.00 13.12 C ATOM 803 NE1 TRP A 57 0.224 -21.741 13.502 1.00 12.12 N ATOM 804 CE2 TRP A 57 1.395 -21.595 12.807 1.00 33.32 C ATOM 805 CE3 TRP A 57 2.095 -20.955 10.585 1.00 33.13 C ATOM 806 CZ2 TRP A 57 2.712 -21.795 13.212 1.00 3.31 C ATOM 807 CZ3 TRP A 57 3.402 -21.154 10.990 1.00 54.41 C ATOM 808 CH2 TRP A 57 3.701 -21.570 12.294 1.00 13.03 C ATOM 0 H TRP A 57 -1.848 -20.925 7.527 1.00 44.14 H new ATOM 0 HA TRP A 57 -1.146 -22.752 9.741 1.00 21.44 H new ATOM 0 HB2 TRP A 57 -0.595 -19.987 9.635 1.00 73.45 H new ATOM 0 HB3 TRP A 57 -2.053 -20.111 10.599 1.00 73.45 H new ATOM 0 HD1 TRP A 57 -1.870 -21.458 12.958 1.00 21.24 H new ATOM 0 HE1 TRP A 57 0.145 -22.034 14.476 1.00 12.12 H new ATOM 0 HE3 TRP A 57 1.874 -20.634 9.578 1.00 33.13 H new ATOM 0 HZ2 TRP A 57 2.945 -22.117 14.216 1.00 3.31 H new ATOM 0 HZ3 TRP A 57 4.206 -20.986 10.289 1.00 54.41 H new ATOM 0 HH2 TRP A 57 4.732 -21.716 12.580 1.00 13.03 H new ATOM 818 N LYS A 58 -3.564 -22.532 10.714 1.00 0.43 N ATOM 819 CA LYS A 58 -4.977 -22.763 10.988 1.00 52.41 C ATOM 820 C LYS A 58 -5.548 -21.658 11.870 1.00 12.41 C ATOM 821 O LYS A 58 -6.228 -21.928 12.859 1.00 14.25 O ATOM 822 CB LYS A 58 -5.171 -24.122 11.666 1.00 73.23 C ATOM 823 CG LYS A 58 -6.545 -24.727 11.433 1.00 3.22 C ATOM 824 CD LYS A 58 -6.990 -25.570 12.617 1.00 74.24 C ATOM 825 CE LYS A 58 -7.440 -26.955 12.176 1.00 64.32 C ATOM 826 NZ LYS A 58 -8.609 -27.435 12.963 1.00 75.25 N ATOM 0 H LYS A 58 -2.940 -22.779 11.482 1.00 0.43 H new ATOM 0 HA LYS A 58 -5.511 -22.758 10.038 1.00 52.41 H new ATOM 0 HB2 LYS A 58 -4.412 -24.813 11.300 1.00 73.23 H new ATOM 0 HB3 LYS A 58 -5.009 -24.010 12.738 1.00 73.23 H new ATOM 0 HG2 LYS A 58 -7.269 -23.931 11.259 1.00 3.22 H new ATOM 0 HG3 LYS A 58 -6.525 -25.343 10.534 1.00 3.22 H new ATOM 0 HD2 LYS A 58 -6.169 -25.662 13.329 1.00 74.24 H new ATOM 0 HD3 LYS A 58 -7.807 -25.069 13.136 1.00 74.24 H new ATOM 0 HE2 LYS A 58 -7.699 -26.933 11.118 1.00 64.32 H new ATOM 0 HE3 LYS A 58 -6.614 -27.658 12.287 1.00 64.32 H new ATOM 0 HZ1 LYS A 58 -8.885 -28.382 12.632 1.00 75.25 H new ATOM 0 HZ2 LYS A 58 -8.354 -27.481 13.970 1.00 75.25 H new ATOM 0 HZ3 LYS A 58 -9.406 -26.778 12.837 1.00 75.25 H new ATOM 836 N GLY A 59 -5.268 -20.411 11.505 1.00 63.54 N ATOM 837 CA GLY A 59 -5.763 -19.283 12.273 1.00 11.13 C ATOM 838 C GLY A 59 -6.179 -18.120 11.394 1.00 24.54 C ATOM 839 O GLY A 59 -6.967 -18.287 10.464 1.00 32.40 O ATOM 0 H GLY A 59 -4.707 -20.161 10.691 1.00 63.54 H new ATOM 0 HA2 GLY A 59 -6.614 -19.602 12.874 1.00 11.13 H new ATOM 0 HA3 GLY A 59 -4.990 -18.952 12.966 1.00 11.13 H new ATOM 843 N ASP A 60 -5.649 -16.938 11.690 1.00 24.24 N ATOM 844 CA ASP A 60 -5.969 -15.742 10.920 1.00 32.42 C ATOM 845 C ASP A 60 -4.699 -15.056 10.428 1.00 52.21 C ATOM 846 O ASP A 60 -4.297 -14.006 10.929 1.00 40.32 O ATOM 847 CB ASP A 60 -6.794 -14.770 11.766 1.00 31.15 C ATOM 848 CG ASP A 60 -8.280 -15.059 11.695 1.00 14.41 C ATOM 849 OD1 ASP A 60 -8.738 -15.561 10.647 1.00 62.35 O ATOM 850 OD2 ASP A 60 -8.987 -14.783 12.687 1.00 23.10 O ATOM 0 H ASP A 60 -4.996 -16.783 12.458 1.00 24.24 H new ATOM 0 HA ASP A 60 -6.556 -16.045 10.053 1.00 32.42 H new ATOM 0 HB2 ASP A 60 -6.465 -14.826 12.804 1.00 31.15 H new ATOM 0 HB3 ASP A 60 -6.608 -13.751 11.428 1.00 31.15 H new ATOM 854 N PRO A 61 -4.050 -15.662 9.424 1.00 64.44 N ATOM 855 CA PRO A 61 -2.815 -15.127 8.842 1.00 2.22 C ATOM 856 C PRO A 61 -3.055 -13.849 8.045 1.00 13.02 C ATOM 857 O PRO A 61 -3.220 -13.888 6.826 1.00 40.40 O ATOM 858 CB PRO A 61 -2.341 -16.251 7.918 1.00 34.13 C ATOM 859 CG PRO A 61 -3.580 -17.001 7.568 1.00 21.43 C ATOM 860 CD PRO A 61 -4.471 -16.916 8.777 1.00 23.32 C ATOM 0 HA PRO A 61 -2.090 -14.852 9.608 1.00 2.22 H new ATOM 0 HB2 PRO A 61 -1.854 -15.853 7.028 1.00 34.13 H new ATOM 0 HB3 PRO A 61 -1.616 -16.894 8.417 1.00 34.13 H new ATOM 0 HG2 PRO A 61 -4.065 -16.567 6.694 1.00 21.43 H new ATOM 0 HG3 PRO A 61 -3.352 -18.038 7.323 1.00 21.43 H new ATOM 0 HD2 PRO A 61 -5.525 -16.890 8.499 1.00 23.32 H new ATOM 0 HD3 PRO A 61 -4.336 -17.773 9.437 1.00 23.32 H new ATOM 865 N VAL A 62 -3.073 -12.718 8.742 1.00 44.53 N ATOM 866 CA VAL A 62 -3.292 -11.427 8.100 1.00 75.32 C ATOM 867 C VAL A 62 -2.018 -10.924 7.431 1.00 73.14 C ATOM 868 O VAL A 62 -2.071 -10.133 6.488 1.00 32.15 O ATOM 869 CB VAL A 62 -3.780 -10.372 9.110 1.00 64.21 C ATOM 870 CG1 VAL A 62 -3.971 -9.026 8.428 1.00 71.11 C ATOM 871 CG2 VAL A 62 -5.069 -10.829 9.776 1.00 20.21 C ATOM 0 H VAL A 62 -2.939 -12.669 9.752 1.00 44.53 H new ATOM 0 HA VAL A 62 -4.062 -11.576 7.343 1.00 75.32 H new ATOM 0 HB VAL A 62 -3.020 -10.255 9.882 1.00 64.21 H new ATOM 0 HG11 VAL A 62 -4.316 -8.294 9.158 1.00 71.11 H new ATOM 0 HG12 VAL A 62 -3.023 -8.696 8.003 1.00 71.11 H new ATOM 0 HG13 VAL A 62 -4.711 -9.122 7.633 1.00 71.11 H new ATOM 0 HG21 VAL A 62 -5.400 -10.072 10.487 1.00 20.21 H new ATOM 0 HG22 VAL A 62 -5.838 -10.976 9.018 1.00 20.21 H new ATOM 0 HG23 VAL A 62 -4.894 -11.768 10.301 1.00 20.21 H new ATOM 881 N GLU A 63 -0.874 -11.387 7.924 1.00 44.33 N ATOM 882 CA GLU A 63 0.413 -10.982 7.373 1.00 24.33 C ATOM 883 C GLU A 63 0.463 -11.228 5.869 1.00 70.42 C ATOM 884 O GLU A 63 1.010 -10.423 5.116 1.00 41.44 O ATOM 885 CB GLU A 63 1.550 -11.741 8.063 1.00 33.01 C ATOM 886 CG GLU A 63 2.306 -10.909 9.085 1.00 52.23 C ATOM 887 CD GLU A 63 3.309 -11.726 9.875 1.00 43.34 C ATOM 888 OE1 GLU A 63 3.212 -12.969 9.850 1.00 35.43 O ATOM 889 OE2 GLU A 63 4.192 -11.120 10.519 1.00 20.00 O ATOM 0 H GLU A 63 -0.812 -12.042 8.703 1.00 44.33 H new ATOM 0 HA GLU A 63 0.536 -9.914 7.553 1.00 24.33 H new ATOM 0 HB2 GLU A 63 1.140 -12.622 8.556 1.00 33.01 H new ATOM 0 HB3 GLU A 63 2.250 -12.096 7.307 1.00 33.01 H new ATOM 0 HG2 GLU A 63 2.825 -10.098 8.575 1.00 52.23 H new ATOM 0 HG3 GLU A 63 1.595 -10.450 9.772 1.00 52.23 H new ATOM 894 N GLN A 64 -0.111 -12.346 5.439 1.00 31.52 N ATOM 895 CA GLN A 64 -0.131 -12.700 4.023 1.00 2.35 C ATOM 896 C GLN A 64 -1.320 -12.055 3.318 1.00 24.24 C ATOM 897 O GLN A 64 -1.285 -11.818 2.111 1.00 72.35 O ATOM 898 CB GLN A 64 -0.187 -14.219 3.856 1.00 24.33 C ATOM 899 CG GLN A 64 1.180 -14.885 3.884 1.00 55.13 C ATOM 900 CD GLN A 64 2.081 -14.324 4.966 1.00 41.04 C ATOM 901 OE1 GLN A 64 1.882 -14.585 6.152 1.00 64.14 O ATOM 902 NE2 GLN A 64 3.079 -13.546 4.561 1.00 33.43 N ATOM 0 H GLN A 64 -0.569 -13.023 6.050 1.00 31.52 H new ATOM 0 HA GLN A 64 0.786 -12.325 3.568 1.00 2.35 H new ATOM 0 HB2 GLN A 64 -0.804 -14.641 4.649 1.00 24.33 H new ATOM 0 HB3 GLN A 64 -0.677 -14.455 2.912 1.00 24.33 H new ATOM 0 HG2 GLN A 64 1.055 -15.956 4.040 1.00 55.13 H new ATOM 0 HG3 GLN A 64 1.661 -14.759 2.914 1.00 55.13 H new ATOM 0 HE21 GLN A 64 3.207 -13.356 3.567 1.00 33.43 H new ATOM 0 HE22 GLN A 64 3.718 -13.139 5.244 1.00 33.43 H new ATOM 909 N LEU A 65 -2.371 -11.772 4.080 1.00 14.13 N ATOM 910 CA LEU A 65 -3.572 -11.155 3.528 1.00 23.32 C ATOM 911 C LEU A 65 -3.342 -9.674 3.248 1.00 43.24 C ATOM 912 O LEU A 65 -4.017 -9.077 2.409 1.00 72.13 O ATOM 913 CB LEU A 65 -4.747 -11.328 4.492 1.00 63.04 C ATOM 914 CG LEU A 65 -5.281 -12.751 4.650 1.00 11.41 C ATOM 915 CD1 LEU A 65 -6.148 -12.861 5.896 1.00 42.24 C ATOM 916 CD2 LEU A 65 -6.067 -13.166 3.414 1.00 23.44 C ATOM 0 H LEU A 65 -2.416 -11.960 5.082 1.00 14.13 H new ATOM 0 HA LEU A 65 -3.807 -11.652 2.587 1.00 23.32 H new ATOM 0 HB2 LEU A 65 -4.442 -10.965 5.473 1.00 63.04 H new ATOM 0 HB3 LEU A 65 -5.564 -10.690 4.155 1.00 63.04 H new ATOM 0 HG LEU A 65 -4.433 -13.426 4.761 1.00 11.41 H new ATOM 0 HD11 LEU A 65 -6.519 -13.881 5.992 1.00 42.24 H new ATOM 0 HD12 LEU A 65 -5.556 -12.606 6.775 1.00 42.24 H new ATOM 0 HD13 LEU A 65 -6.991 -12.174 5.815 1.00 42.24 H new ATOM 0 HD21 LEU A 65 -6.440 -14.182 3.544 1.00 23.44 H new ATOM 0 HD22 LEU A 65 -6.907 -12.487 3.272 1.00 23.44 H new ATOM 0 HD23 LEU A 65 -5.417 -13.127 2.540 1.00 23.44 H new ATOM 927 N VAL A 66 -2.383 -9.083 3.956 1.00 35.22 N ATOM 928 CA VAL A 66 -2.062 -7.672 3.782 1.00 33.30 C ATOM 929 C VAL A 66 -0.598 -7.485 3.402 1.00 4.14 C ATOM 930 O VAL A 66 0.301 -7.926 4.119 1.00 35.15 O ATOM 931 CB VAL A 66 -2.356 -6.867 5.061 1.00 12.44 C ATOM 932 CG1 VAL A 66 -1.982 -5.406 4.871 1.00 65.14 C ATOM 933 CG2 VAL A 66 -3.821 -7.004 5.452 1.00 22.33 C ATOM 0 H VAL A 66 -1.815 -9.561 4.656 1.00 35.22 H new ATOM 0 HA VAL A 66 -2.694 -7.301 2.975 1.00 33.30 H new ATOM 0 HB VAL A 66 -1.748 -7.270 5.870 1.00 12.44 H new ATOM 0 HG11 VAL A 66 -2.197 -4.853 5.786 1.00 65.14 H new ATOM 0 HG12 VAL A 66 -0.919 -5.329 4.642 1.00 65.14 H new ATOM 0 HG13 VAL A 66 -2.561 -4.986 4.049 1.00 65.14 H new ATOM 0 HG21 VAL A 66 -4.011 -6.429 6.358 1.00 22.33 H new ATOM 0 HG22 VAL A 66 -4.450 -6.628 4.645 1.00 22.33 H new ATOM 0 HG23 VAL A 66 -4.053 -8.054 5.633 1.00 22.33 H new ATOM 943 N ARG A 67 -0.365 -6.826 2.272 1.00 33.42 N ATOM 944 CA ARG A 67 0.992 -6.581 1.797 1.00 71.31 C ATOM 945 C ARG A 67 1.347 -5.102 1.908 1.00 25.02 C ATOM 946 O ARG A 67 0.736 -4.254 1.256 1.00 23.04 O ATOM 947 CB ARG A 67 1.137 -7.044 0.346 1.00 64.41 C ATOM 948 CG ARG A 67 2.556 -7.443 -0.027 1.00 44.23 C ATOM 949 CD ARG A 67 2.867 -8.867 0.406 1.00 64.33 C ATOM 950 NE ARG A 67 3.819 -9.516 -0.491 1.00 21.21 N ATOM 951 CZ ARG A 67 4.188 -10.787 -0.376 1.00 10.34 C ATOM 952 NH1 ARG A 67 3.687 -11.541 0.593 1.00 42.33 N ATOM 953 NH2 ARG A 67 5.059 -11.306 -1.231 1.00 32.54 N ATOM 0 H ARG A 67 -1.097 -6.452 1.668 1.00 33.42 H new ATOM 0 HA ARG A 67 1.679 -7.150 2.424 1.00 71.31 H new ATOM 0 HB2 ARG A 67 0.474 -7.892 0.176 1.00 64.41 H new ATOM 0 HB3 ARG A 67 0.808 -6.244 -0.317 1.00 64.41 H new ATOM 0 HG2 ARG A 67 2.689 -7.352 -1.105 1.00 44.23 H new ATOM 0 HG3 ARG A 67 3.263 -6.757 0.440 1.00 44.23 H new ATOM 0 HD2 ARG A 67 3.271 -8.858 1.418 1.00 64.33 H new ATOM 0 HD3 ARG A 67 1.944 -9.446 0.436 1.00 64.33 H new ATOM 0 HE ARG A 67 4.223 -8.963 -1.247 1.00 21.21 H new ATOM 0 HH11 ARG A 67 3.017 -11.145 1.252 1.00 42.33 H new ATOM 0 HH12 ARG A 67 3.972 -12.517 0.679 1.00 42.33 H new ATOM 0 HH21 ARG A 67 5.446 -10.729 -1.978 1.00 32.54 H new ATOM 0 HH22 ARG A 67 5.342 -12.282 -1.142 1.00 32.54 H new ATOM 964 N HIS A 68 2.340 -4.798 2.739 1.00 0.43 N ATOM 965 CA HIS A 68 2.777 -3.420 2.937 1.00 72.10 C ATOM 966 C HIS A 68 4.244 -3.256 2.553 1.00 2.23 C ATOM 967 O HIS A 68 5.112 -3.970 3.056 1.00 31.53 O ATOM 968 CB HIS A 68 2.568 -3.001 4.392 1.00 45.03 C ATOM 969 CG HIS A 68 3.359 -3.814 5.369 1.00 10.51 C ATOM 970 ND1 HIS A 68 4.594 -3.426 5.846 1.00 52.33 N ATOM 971 CD2 HIS A 68 3.084 -4.999 5.961 1.00 23.13 C ATOM 972 CE1 HIS A 68 5.044 -4.339 6.688 1.00 65.42 C ATOM 973 NE2 HIS A 68 4.147 -5.304 6.776 1.00 33.05 N ATOM 0 H HIS A 68 2.857 -5.487 3.286 1.00 0.43 H new ATOM 0 HA HIS A 68 2.177 -2.778 2.293 1.00 72.10 H new ATOM 0 HB2 HIS A 68 2.840 -1.951 4.502 1.00 45.03 H new ATOM 0 HB3 HIS A 68 1.509 -3.083 4.637 1.00 45.03 H new ATOM 0 HD2 HIS A 68 2.194 -5.594 5.819 1.00 23.13 H new ATOM 0 HE1 HIS A 68 5.986 -4.302 7.215 1.00 65.42 H new ATOM 0 HE2 HIS A 68 4.230 -6.140 7.355 1.00 33.05 H new ATOM 980 N PHE A 69 4.515 -2.311 1.659 1.00 30.33 N ATOM 981 CA PHE A 69 5.878 -2.055 1.206 1.00 53.11 C ATOM 982 C PHE A 69 6.203 -0.565 1.276 1.00 55.50 C ATOM 983 O PHE A 69 5.312 0.282 1.176 1.00 21.05 O ATOM 984 CB PHE A 69 6.066 -2.562 -0.225 1.00 21.34 C ATOM 985 CG PHE A 69 7.029 -3.711 -0.330 1.00 61.44 C ATOM 986 CD1 PHE A 69 8.365 -3.543 -0.005 1.00 22.30 C ATOM 987 CD2 PHE A 69 6.598 -4.956 -0.755 1.00 34.40 C ATOM 988 CE1 PHE A 69 9.254 -4.597 -0.103 1.00 31.45 C ATOM 989 CE2 PHE A 69 7.482 -6.016 -0.855 1.00 44.15 C ATOM 990 CZ PHE A 69 8.812 -5.835 -0.527 1.00 1.41 C ATOM 0 H PHE A 69 3.809 -1.710 1.234 1.00 30.33 H new ATOM 0 HA PHE A 69 6.560 -2.590 1.866 1.00 53.11 H new ATOM 0 HB2 PHE A 69 5.099 -2.870 -0.623 1.00 21.34 H new ATOM 0 HB3 PHE A 69 6.421 -1.742 -0.849 1.00 21.34 H new ATOM 0 HD1 PHE A 69 8.716 -2.578 0.329 1.00 22.30 H new ATOM 0 HD2 PHE A 69 5.559 -5.102 -1.012 1.00 34.40 H new ATOM 0 HE1 PHE A 69 10.294 -4.453 0.152 1.00 31.45 H new ATOM 0 HE2 PHE A 69 7.133 -6.982 -1.189 1.00 44.15 H new ATOM 0 HZ PHE A 69 9.505 -6.660 -0.602 1.00 1.41 H new ATOM 999 N LEU A 70 7.481 -0.252 1.448 1.00 63.31 N ATOM 1000 CA LEU A 70 7.925 1.135 1.532 1.00 31.32 C ATOM 1001 C LEU A 70 8.473 1.613 0.191 1.00 23.02 C ATOM 1002 O LEU A 70 9.391 1.010 -0.365 1.00 20.20 O ATOM 1003 CB LEU A 70 8.994 1.284 2.616 1.00 2.14 C ATOM 1004 CG LEU A 70 10.109 0.237 2.608 1.00 3.24 C ATOM 1005 CD1 LEU A 70 11.450 0.884 2.916 1.00 23.05 C ATOM 1006 CD2 LEU A 70 9.806 -0.871 3.607 1.00 62.52 C ATOM 0 H LEU A 70 8.229 -0.940 1.532 1.00 63.31 H new ATOM 0 HA LEU A 70 7.065 1.752 1.792 1.00 31.32 H new ATOM 0 HB2 LEU A 70 9.448 2.270 2.517 1.00 2.14 H new ATOM 0 HB3 LEU A 70 8.503 1.255 3.589 1.00 2.14 H new ATOM 0 HG LEU A 70 10.162 -0.203 1.612 1.00 3.24 H new ATOM 0 HD11 LEU A 70 12.231 0.124 2.906 1.00 23.05 H new ATOM 0 HD12 LEU A 70 11.670 1.641 2.163 1.00 23.05 H new ATOM 0 HD13 LEU A 70 11.411 1.351 3.900 1.00 23.05 H new ATOM 0 HD21 LEU A 70 10.609 -1.607 3.588 1.00 62.52 H new ATOM 0 HD22 LEU A 70 9.726 -0.447 4.608 1.00 62.52 H new ATOM 0 HD23 LEU A 70 8.865 -1.353 3.341 1.00 62.52 H new ATOM 1017 N ILE A 71 7.907 2.701 -0.319 1.00 64.34 N ATOM 1018 CA ILE A 71 8.343 3.262 -1.592 1.00 14.53 C ATOM 1019 C ILE A 71 9.234 4.481 -1.380 1.00 72.31 C ATOM 1020 O ILE A 71 8.935 5.344 -0.556 1.00 1.22 O ATOM 1021 CB ILE A 71 7.141 3.665 -2.469 1.00 31.33 C ATOM 1022 CG1 ILE A 71 6.044 2.601 -2.390 1.00 62.20 C ATOM 1023 CG2 ILE A 71 7.583 3.871 -3.910 1.00 22.44 C ATOM 1024 CD1 ILE A 71 4.906 2.976 -1.467 1.00 73.15 C ATOM 0 H ILE A 71 7.146 3.212 0.129 1.00 64.34 H new ATOM 0 HA ILE A 71 8.912 2.484 -2.102 1.00 14.53 H new ATOM 0 HB ILE A 71 6.736 4.605 -2.095 1.00 31.33 H new ATOM 0 HG12 ILE A 71 5.647 2.424 -3.390 1.00 62.20 H new ATOM 0 HG13 ILE A 71 6.483 1.663 -2.051 1.00 62.20 H new ATOM 0 HG21 ILE A 71 6.723 4.155 -4.517 1.00 22.44 H new ATOM 0 HG22 ILE A 71 8.333 4.661 -3.951 1.00 22.44 H new ATOM 0 HG23 ILE A 71 8.009 2.945 -4.296 1.00 22.44 H new ATOM 0 HD11 ILE A 71 4.165 2.177 -1.460 1.00 73.15 H new ATOM 0 HD12 ILE A 71 5.290 3.124 -0.458 1.00 73.15 H new ATOM 0 HD13 ILE A 71 4.442 3.898 -1.818 1.00 73.15 H new ATOM 1035 N GLU A 72 10.328 4.544 -2.131 1.00 23.42 N ATOM 1036 CA GLU A 72 11.264 5.658 -2.026 1.00 11.43 C ATOM 1037 C GLU A 72 11.266 6.489 -3.305 1.00 72.05 C ATOM 1038 O GLU A 72 11.228 5.950 -4.412 1.00 4.25 O ATOM 1039 CB GLU A 72 12.676 5.143 -1.737 1.00 35.32 C ATOM 1040 CG GLU A 72 13.065 5.222 -0.271 1.00 2.14 C ATOM 1041 CD GLU A 72 14.343 6.006 -0.048 1.00 43.31 C ATOM 1042 OE1 GLU A 72 14.399 7.181 -0.472 1.00 35.52 O ATOM 1043 OE2 GLU A 72 15.286 5.448 0.549 1.00 65.20 O ATOM 0 H GLU A 72 10.589 3.837 -2.819 1.00 23.42 H new ATOM 0 HA GLU A 72 10.941 6.293 -1.201 1.00 11.43 H new ATOM 0 HB2 GLU A 72 12.751 4.107 -2.069 1.00 35.32 H new ATOM 0 HB3 GLU A 72 13.391 5.718 -2.325 1.00 35.32 H new ATOM 0 HG2 GLU A 72 12.255 5.687 0.291 1.00 2.14 H new ATOM 0 HG3 GLU A 72 13.189 4.213 0.123 1.00 2.14 H new ATOM 1048 N THR A 73 11.309 7.809 -3.146 1.00 11.11 N ATOM 1049 CA THR A 73 11.313 8.716 -4.287 1.00 5.24 C ATOM 1050 C THR A 73 12.622 9.495 -4.364 1.00 11.32 C ATOM 1051 O THR A 73 13.012 10.167 -3.410 1.00 23.33 O ATOM 1052 CB THR A 73 10.140 9.711 -4.218 1.00 31.00 C ATOM 1053 OG1 THR A 73 10.203 10.621 -5.321 1.00 61.13 O ATOM 1054 CG2 THR A 73 10.165 10.489 -2.910 1.00 32.22 C ATOM 0 H THR A 73 11.342 8.273 -2.238 1.00 11.11 H new ATOM 0 HA THR A 73 11.205 8.101 -5.181 1.00 5.24 H new ATOM 0 HB THR A 73 9.210 9.145 -4.268 1.00 31.00 H new ATOM 0 HG1 THR A 73 9.452 11.249 -5.270 1.00 61.13 H new ATOM 0 HG21 THR A 73 9.327 11.185 -2.885 1.00 32.22 H new ATOM 0 HG22 THR A 73 10.086 9.796 -2.073 1.00 32.22 H new ATOM 0 HG23 THR A 73 11.100 11.044 -2.835 1.00 32.22 H new ATOM 1062 N GLY A 74 13.294 9.402 -5.508 1.00 3.54 N ATOM 1063 CA GLY A 74 14.551 10.105 -5.687 1.00 73.42 C ATOM 1064 C GLY A 74 14.613 10.855 -7.003 1.00 1.41 C ATOM 1065 O GLY A 74 13.611 11.012 -7.700 1.00 54.44 O ATOM 0 H GLY A 74 12.991 8.853 -6.313 1.00 3.54 H new ATOM 0 HA2 GLY A 74 14.691 10.807 -4.865 1.00 73.42 H new ATOM 0 HA3 GLY A 74 15.373 9.391 -5.640 1.00 73.42 H new ATOM 1069 N PRO A 75 15.814 11.335 -7.360 1.00 3.43 N ATOM 1070 CA PRO A 75 16.031 12.081 -8.602 1.00 42.54 C ATOM 1071 C PRO A 75 15.907 11.198 -9.838 1.00 60.43 C ATOM 1072 O PRO A 75 15.928 11.686 -10.968 1.00 63.33 O ATOM 1073 CB PRO A 75 17.462 12.602 -8.457 1.00 1.00 C ATOM 1074 CG PRO A 75 18.122 11.643 -7.528 1.00 70.55 C ATOM 1075 CD PRO A 75 17.052 11.185 -6.577 1.00 12.22 C ATOM 0 HA PRO A 75 15.289 12.867 -8.740 1.00 42.54 H new ATOM 0 HB2 PRO A 75 17.971 12.634 -9.420 1.00 1.00 H new ATOM 0 HB3 PRO A 75 17.476 13.615 -8.055 1.00 1.00 H new ATOM 0 HG2 PRO A 75 18.546 10.800 -8.074 1.00 70.55 H new ATOM 0 HG3 PRO A 75 18.942 12.121 -6.992 1.00 70.55 H new ATOM 0 HD2 PRO A 75 17.207 10.152 -6.264 1.00 12.22 H new ATOM 0 HD3 PRO A 75 17.031 11.792 -5.672 1.00 12.22 H new ATOM 1080 N LYS A 76 15.780 9.894 -9.618 1.00 52.10 N ATOM 1081 CA LYS A 76 15.652 8.940 -10.713 1.00 51.44 C ATOM 1082 C LYS A 76 14.237 8.374 -10.779 1.00 73.34 C ATOM 1083 O LYS A 76 13.939 7.517 -11.610 1.00 14.10 O ATOM 1084 CB LYS A 76 16.661 7.803 -10.548 1.00 30.03 C ATOM 1085 CG LYS A 76 17.951 8.016 -11.319 1.00 43.02 C ATOM 1086 CD LYS A 76 17.912 7.326 -12.672 1.00 33.31 C ATOM 1087 CE LYS A 76 19.233 6.639 -12.986 1.00 42.42 C ATOM 1088 NZ LYS A 76 19.117 5.156 -12.920 1.00 51.20 N ATOM 0 H LYS A 76 15.763 9.473 -8.689 1.00 52.10 H new ATOM 0 HA LYS A 76 15.858 9.466 -11.645 1.00 51.44 H new ATOM 0 HB2 LYS A 76 16.895 7.688 -9.490 1.00 30.03 H new ATOM 0 HB3 LYS A 76 16.201 6.871 -10.876 1.00 30.03 H new ATOM 0 HG2 LYS A 76 18.120 9.084 -11.459 1.00 43.02 H new ATOM 0 HG3 LYS A 76 18.790 7.633 -10.738 1.00 43.02 H new ATOM 0 HD2 LYS A 76 17.107 6.591 -12.684 1.00 33.31 H new ATOM 0 HD3 LYS A 76 17.688 8.057 -13.448 1.00 33.31 H new ATOM 0 HE2 LYS A 76 19.568 6.933 -13.981 1.00 42.42 H new ATOM 0 HE3 LYS A 76 19.994 6.975 -12.281 1.00 42.42 H new ATOM 0 HZ1 LYS A 76 20.038 4.726 -13.140 1.00 51.20 H new ATOM 0 HZ2 LYS A 76 18.822 4.873 -11.964 1.00 51.20 H new ATOM 0 HZ3 LYS A 76 18.410 4.832 -13.610 1.00 51.20 H new ATOM 1098 N GLY A 77 13.368 8.860 -9.897 1.00 74.41 N ATOM 1099 CA GLY A 77 11.994 8.391 -9.874 1.00 24.51 C ATOM 1100 C GLY A 77 11.631 7.727 -8.561 1.00 43.20 C ATOM 1101 O GLY A 77 12.474 7.584 -7.675 1.00 73.41 O ATOM 0 H GLY A 77 13.591 9.569 -9.199 1.00 74.41 H new ATOM 0 HA2 GLY A 77 11.323 9.232 -10.050 1.00 24.51 H new ATOM 0 HA3 GLY A 77 11.841 7.684 -10.690 1.00 24.51 H new ATOM 1105 N VAL A 78 10.372 7.321 -8.433 1.00 74.20 N ATOM 1106 CA VAL A 78 9.898 6.669 -7.219 1.00 65.03 C ATOM 1107 C VAL A 78 9.560 5.205 -7.477 1.00 42.20 C ATOM 1108 O VAL A 78 8.799 4.884 -8.389 1.00 35.22 O ATOM 1109 CB VAL A 78 8.656 7.379 -6.649 1.00 0.31 C ATOM 1110 CG1 VAL A 78 7.570 7.487 -7.707 1.00 73.15 C ATOM 1111 CG2 VAL A 78 8.140 6.645 -5.419 1.00 65.34 C ATOM 0 H VAL A 78 9.661 7.432 -9.156 1.00 74.20 H new ATOM 0 HA VAL A 78 10.707 6.729 -6.491 1.00 65.03 H new ATOM 0 HB VAL A 78 8.942 8.388 -6.350 1.00 0.31 H new ATOM 0 HG11 VAL A 78 6.700 7.991 -7.286 1.00 73.15 H new ATOM 0 HG12 VAL A 78 7.945 8.058 -8.556 1.00 73.15 H new ATOM 0 HG13 VAL A 78 7.285 6.489 -8.039 1.00 73.15 H new ATOM 0 HG21 VAL A 78 7.262 7.160 -5.029 1.00 65.34 H new ATOM 0 HG22 VAL A 78 7.871 5.624 -5.691 1.00 65.34 H new ATOM 0 HG23 VAL A 78 8.917 6.624 -4.655 1.00 65.34 H new ATOM 1121 N LYS A 79 10.131 4.320 -6.666 1.00 55.01 N ATOM 1122 CA LYS A 79 9.890 2.889 -6.804 1.00 34.52 C ATOM 1123 C LYS A 79 9.864 2.207 -5.440 1.00 71.33 C ATOM 1124 O LYS A 79 10.387 2.739 -4.460 1.00 63.43 O ATOM 1125 CB LYS A 79 10.968 2.252 -7.684 1.00 33.12 C ATOM 1126 CG LYS A 79 12.360 2.310 -7.080 1.00 11.52 C ATOM 1127 CD LYS A 79 12.646 1.091 -6.219 1.00 41.44 C ATOM 1128 CE LYS A 79 13.354 1.474 -4.928 1.00 34.21 C ATOM 1129 NZ LYS A 79 14.568 0.644 -4.695 1.00 0.22 N ATOM 0 H LYS A 79 10.764 4.569 -5.906 1.00 55.01 H new ATOM 0 HA LYS A 79 8.917 2.754 -7.276 1.00 34.52 H new ATOM 0 HB2 LYS A 79 10.705 1.211 -7.870 1.00 33.12 H new ATOM 0 HB3 LYS A 79 10.980 2.755 -8.651 1.00 33.12 H new ATOM 0 HG2 LYS A 79 13.101 2.376 -7.877 1.00 11.52 H new ATOM 0 HG3 LYS A 79 12.459 3.213 -6.478 1.00 11.52 H new ATOM 0 HD2 LYS A 79 11.711 0.582 -5.985 1.00 41.44 H new ATOM 0 HD3 LYS A 79 13.262 0.386 -6.778 1.00 41.44 H new ATOM 0 HE2 LYS A 79 13.635 2.526 -4.966 1.00 34.21 H new ATOM 0 HE3 LYS A 79 12.668 1.358 -4.089 1.00 34.21 H new ATOM 0 HZ1 LYS A 79 15.003 0.912 -3.789 1.00 0.22 H new ATOM 0 HZ2 LYS A 79 14.301 -0.361 -4.667 1.00 0.22 H new ATOM 0 HZ3 LYS A 79 15.249 0.800 -5.466 1.00 0.22 H new ATOM 1139 N ILE A 80 9.254 1.028 -5.384 1.00 20.40 N ATOM 1140 CA ILE A 80 9.163 0.274 -4.140 1.00 64.22 C ATOM 1141 C ILE A 80 10.514 -0.319 -3.758 1.00 24.45 C ATOM 1142 O ILE A 80 11.076 -1.137 -4.488 1.00 23.04 O ATOM 1143 CB ILE A 80 8.128 -0.861 -4.245 1.00 1.02 C ATOM 1144 CG1 ILE A 80 6.750 -0.293 -4.589 1.00 11.33 C ATOM 1145 CG2 ILE A 80 8.073 -1.649 -2.944 1.00 32.21 C ATOM 1146 CD1 ILE A 80 5.727 -1.354 -4.932 1.00 32.02 C ATOM 0 H ILE A 80 8.816 0.574 -6.185 1.00 20.40 H new ATOM 0 HA ILE A 80 8.845 0.975 -3.368 1.00 64.22 H new ATOM 0 HB ILE A 80 8.431 -1.537 -5.044 1.00 1.02 H new ATOM 0 HG12 ILE A 80 6.386 0.292 -3.744 1.00 11.33 H new ATOM 0 HG13 ILE A 80 6.848 0.391 -5.432 1.00 11.33 H new ATOM 0 HG21 ILE A 80 7.337 -2.448 -3.033 1.00 32.21 H new ATOM 0 HG22 ILE A 80 9.053 -2.080 -2.738 1.00 32.21 H new ATOM 0 HG23 ILE A 80 7.790 -0.984 -2.128 1.00 32.21 H new ATOM 0 HD11 ILE A 80 4.774 -0.879 -5.165 1.00 32.02 H new ATOM 0 HD12 ILE A 80 6.069 -1.924 -5.796 1.00 32.02 H new ATOM 0 HD13 ILE A 80 5.600 -2.025 -4.082 1.00 32.02 H new ATOM 1157 N LYS A 81 11.033 0.095 -2.606 1.00 54.14 N ATOM 1158 CA LYS A 81 12.317 -0.397 -2.123 1.00 45.34 C ATOM 1159 C LYS A 81 12.245 -1.887 -1.807 1.00 30.31 C ATOM 1160 O LYS A 81 11.334 -2.343 -1.116 1.00 42.23 O ATOM 1161 CB LYS A 81 12.747 0.379 -0.875 1.00 32.41 C ATOM 1162 CG LYS A 81 14.252 0.421 -0.674 1.00 21.13 C ATOM 1163 CD LYS A 81 14.687 -0.490 0.462 1.00 25.11 C ATOM 1164 CE LYS A 81 15.945 0.030 1.142 1.00 1.31 C ATOM 1165 NZ LYS A 81 17.032 -0.986 1.147 1.00 22.43 N ATOM 0 H LYS A 81 10.582 0.771 -1.989 1.00 54.14 H new ATOM 0 HA LYS A 81 13.055 -0.246 -2.911 1.00 45.34 H new ATOM 0 HB2 LYS A 81 12.369 1.399 -0.944 1.00 32.41 H new ATOM 0 HB3 LYS A 81 12.284 -0.074 0.002 1.00 32.41 H new ATOM 0 HG2 LYS A 81 14.752 0.120 -1.595 1.00 21.13 H new ATOM 0 HG3 LYS A 81 14.564 1.444 -0.462 1.00 21.13 H new ATOM 0 HD2 LYS A 81 13.883 -0.570 1.194 1.00 25.11 H new ATOM 0 HD3 LYS A 81 14.869 -1.493 0.076 1.00 25.11 H new ATOM 0 HE2 LYS A 81 16.290 0.928 0.630 1.00 1.31 H new ATOM 0 HE3 LYS A 81 15.711 0.317 2.167 1.00 1.31 H new ATOM 0 HZ1 LYS A 81 17.872 -0.594 1.619 1.00 22.43 H new ATOM 0 HZ2 LYS A 81 16.712 -1.834 1.658 1.00 22.43 H new ATOM 0 HZ3 LYS A 81 17.273 -1.242 0.168 1.00 22.43 H new ATOM 1175 N GLY A 82 13.213 -2.643 -2.318 1.00 14.11 N ATOM 1176 CA GLY A 82 13.241 -4.075 -2.078 1.00 53.52 C ATOM 1177 C GLY A 82 13.016 -4.879 -3.343 1.00 53.21 C ATOM 1178 O GLY A 82 13.311 -6.073 -3.387 1.00 73.43 O ATOM 0 H GLY A 82 13.978 -2.290 -2.893 1.00 14.11 H new ATOM 0 HA2 GLY A 82 14.202 -4.349 -1.643 1.00 53.52 H new ATOM 0 HA3 GLY A 82 12.475 -4.333 -1.346 1.00 53.52 H new ATOM 1182 N CYS A 83 12.490 -4.224 -4.373 1.00 21.25 N ATOM 1183 CA CYS A 83 12.224 -4.887 -5.644 1.00 74.02 C ATOM 1184 C CYS A 83 13.426 -4.781 -6.576 1.00 61.41 C ATOM 1185 O CYS A 83 14.017 -3.714 -6.747 1.00 35.33 O ATOM 1186 CB CYS A 83 10.990 -4.277 -6.312 1.00 70.20 C ATOM 1187 SG CYS A 83 10.696 -4.866 -7.996 1.00 50.21 S ATOM 0 H CYS A 83 12.240 -3.235 -4.352 1.00 21.25 H new ATOM 0 HA CYS A 83 12.036 -5.942 -5.443 1.00 74.02 H new ATOM 0 HB2 CYS A 83 10.114 -4.498 -5.703 1.00 70.20 H new ATOM 0 HB3 CYS A 83 11.099 -3.193 -6.332 1.00 70.20 H new ATOM 0 HG CYS A 83 9.631 -4.296 -8.475 1.00 50.21 H new ATOM 1192 N PRO A 84 13.800 -5.912 -7.192 1.00 25.21 N ATOM 1193 CA PRO A 84 14.937 -5.972 -8.115 1.00 23.44 C ATOM 1194 C PRO A 84 14.662 -5.237 -9.422 1.00 12.44 C ATOM 1195 O PRO A 84 15.540 -4.568 -9.966 1.00 25.35 O ATOM 1196 CB PRO A 84 15.107 -7.472 -8.371 1.00 65.22 C ATOM 1197 CG PRO A 84 13.758 -8.055 -8.122 1.00 43.24 C ATOM 1198 CD PRO A 84 13.142 -7.219 -7.033 1.00 35.24 C ATOM 0 HA PRO A 84 15.824 -5.493 -7.701 1.00 23.44 H new ATOM 0 HB2 PRO A 84 15.439 -7.664 -9.391 1.00 65.22 H new ATOM 0 HB3 PRO A 84 15.854 -7.905 -7.706 1.00 65.22 H new ATOM 0 HG2 PRO A 84 13.149 -8.030 -9.026 1.00 43.24 H new ATOM 0 HG3 PRO A 84 13.834 -9.099 -7.818 1.00 43.24 H new ATOM 0 HD2 PRO A 84 12.061 -7.141 -7.149 1.00 35.24 H new ATOM 0 HD3 PRO A 84 13.327 -7.645 -6.047 1.00 35.24 H new ATOM 1203 N SER A 85 13.436 -5.365 -9.921 1.00 31.32 N ATOM 1204 CA SER A 85 13.046 -4.715 -11.167 1.00 4.45 C ATOM 1205 C SER A 85 13.393 -3.229 -11.136 1.00 12.22 C ATOM 1206 O SER A 85 14.128 -2.736 -11.989 1.00 45.15 O ATOM 1207 CB SER A 85 11.548 -4.896 -11.414 1.00 11.51 C ATOM 1208 OG SER A 85 11.216 -4.623 -12.764 1.00 33.34 O ATOM 0 H SER A 85 12.696 -5.913 -9.482 1.00 31.32 H new ATOM 0 HA SER A 85 13.600 -5.183 -11.981 1.00 4.45 H new ATOM 0 HB2 SER A 85 11.256 -5.916 -11.164 1.00 11.51 H new ATOM 0 HB3 SER A 85 10.985 -4.233 -10.757 1.00 11.51 H new ATOM 0 HG SER A 85 10.253 -4.748 -12.896 1.00 33.34 H new ATOM 1213 N GLU A 86 12.856 -2.523 -10.145 1.00 3.24 N ATOM 1214 CA GLU A 86 13.107 -1.094 -10.003 1.00 51.33 C ATOM 1215 C GLU A 86 12.601 -0.329 -11.222 1.00 52.22 C ATOM 1216 O GLU A 86 13.374 0.131 -12.063 1.00 71.31 O ATOM 1217 CB GLU A 86 14.602 -0.833 -9.808 1.00 73.42 C ATOM 1218 CG GLU A 86 15.013 -0.705 -8.351 1.00 74.01 C ATOM 1219 CD GLU A 86 16.465 -1.076 -8.119 1.00 33.41 C ATOM 1220 OE1 GLU A 86 17.276 -0.918 -9.056 1.00 13.32 O ATOM 1221 OE2 GLU A 86 16.791 -1.524 -6.999 1.00 73.31 O ATOM 0 H GLU A 86 12.245 -2.917 -9.430 1.00 3.24 H new ATOM 0 HA GLU A 86 12.566 -0.742 -9.124 1.00 51.33 H new ATOM 0 HB2 GLU A 86 15.167 -1.645 -10.266 1.00 73.42 H new ATOM 0 HB3 GLU A 86 14.874 0.081 -10.335 1.00 73.42 H new ATOM 0 HG2 GLU A 86 14.846 0.320 -8.019 1.00 74.01 H new ATOM 0 HG3 GLU A 86 14.376 -1.345 -7.740 1.00 74.01 H new ATOM 1226 N PRO A 87 11.271 -0.188 -11.321 1.00 1.22 N ATOM 1227 CA PRO A 87 10.630 0.521 -12.433 1.00 33.32 C ATOM 1228 C PRO A 87 10.884 2.023 -12.386 1.00 10.22 C ATOM 1229 O PRO A 87 11.134 2.653 -13.413 1.00 41.10 O ATOM 1230 CB PRO A 87 9.141 0.223 -12.234 1.00 25.54 C ATOM 1231 CG PRO A 87 9.004 -0.055 -10.776 1.00 54.34 C ATOM 1232 CD PRO A 87 10.289 -0.710 -10.356 1.00 2.42 C ATOM 0 HA PRO A 87 11.017 0.198 -13.399 1.00 33.32 H new ATOM 0 HB2 PRO A 87 8.524 1.069 -12.536 1.00 25.54 H new ATOM 0 HB3 PRO A 87 8.825 -0.632 -12.832 1.00 25.54 H new ATOM 0 HG2 PRO A 87 8.835 0.866 -10.218 1.00 54.34 H new ATOM 0 HG3 PRO A 87 8.152 -0.707 -10.582 1.00 54.34 H new ATOM 0 HD2 PRO A 87 10.556 -0.451 -9.331 1.00 2.42 H new ATOM 0 HD3 PRO A 87 10.219 -1.797 -10.402 1.00 2.42 H new ATOM 1237 N TYR A 88 10.818 2.592 -11.186 1.00 74.13 N ATOM 1238 CA TYR A 88 11.038 4.022 -11.005 1.00 73.44 C ATOM 1239 C TYR A 88 10.045 4.835 -11.830 1.00 61.21 C ATOM 1240 O TYR A 88 10.347 5.262 -12.944 1.00 31.33 O ATOM 1241 CB TYR A 88 12.470 4.392 -11.400 1.00 15.20 C ATOM 1242 CG TYR A 88 13.494 4.064 -10.338 1.00 20.31 C ATOM 1243 CD1 TYR A 88 13.709 4.918 -9.264 1.00 55.43 C ATOM 1244 CD2 TYR A 88 14.249 2.899 -10.410 1.00 45.33 C ATOM 1245 CE1 TYR A 88 14.645 4.623 -8.292 1.00 61.31 C ATOM 1246 CE2 TYR A 88 15.186 2.595 -9.441 1.00 71.03 C ATOM 1247 CZ TYR A 88 15.381 3.460 -8.384 1.00 52.01 C ATOM 1248 OH TYR A 88 16.314 3.161 -7.418 1.00 72.11 O ATOM 0 H TYR A 88 10.614 2.084 -10.325 1.00 74.13 H new ATOM 0 HA TYR A 88 10.885 4.257 -9.952 1.00 73.44 H new ATOM 0 HB2 TYR A 88 12.731 3.868 -12.319 1.00 15.20 H new ATOM 0 HB3 TYR A 88 12.514 5.459 -11.618 1.00 15.20 H new ATOM 0 HD1 TYR A 88 13.134 5.829 -9.187 1.00 55.43 H new ATOM 0 HD2 TYR A 88 14.101 2.220 -11.237 1.00 45.33 H new ATOM 0 HE1 TYR A 88 14.800 5.299 -7.464 1.00 61.31 H new ATOM 0 HE2 TYR A 88 15.763 1.685 -9.511 1.00 71.03 H new ATOM 0 HH TYR A 88 16.744 2.306 -7.631 1.00 72.11 H new ATOM 1257 N PHE A 89 8.857 5.046 -11.273 1.00 4.53 N ATOM 1258 CA PHE A 89 7.817 5.807 -11.955 1.00 11.20 C ATOM 1259 C PHE A 89 7.917 7.291 -11.613 1.00 72.34 C ATOM 1260 O PHE A 89 8.888 7.735 -11.001 1.00 33.35 O ATOM 1261 CB PHE A 89 6.433 5.277 -11.573 1.00 61.34 C ATOM 1262 CG PHE A 89 6.270 3.803 -11.811 1.00 72.40 C ATOM 1263 CD1 PHE A 89 5.993 3.320 -13.080 1.00 22.13 C ATOM 1264 CD2 PHE A 89 6.393 2.902 -10.767 1.00 34.02 C ATOM 1265 CE1 PHE A 89 5.842 1.964 -13.301 1.00 72.44 C ATOM 1266 CE2 PHE A 89 6.242 1.545 -10.982 1.00 32.32 C ATOM 1267 CZ PHE A 89 5.967 1.075 -12.252 1.00 61.43 C ATOM 0 H PHE A 89 8.591 4.701 -10.351 1.00 4.53 H new ATOM 0 HA PHE A 89 7.960 5.688 -13.029 1.00 11.20 H new ATOM 0 HB2 PHE A 89 6.249 5.490 -10.520 1.00 61.34 H new ATOM 0 HB3 PHE A 89 5.676 5.815 -12.144 1.00 61.34 H new ATOM 0 HD1 PHE A 89 5.894 4.010 -13.905 1.00 22.13 H new ATOM 0 HD2 PHE A 89 6.610 3.264 -9.773 1.00 34.02 H new ATOM 0 HE1 PHE A 89 5.626 1.600 -14.295 1.00 72.44 H new ATOM 0 HE2 PHE A 89 6.339 0.853 -10.159 1.00 32.32 H new ATOM 0 HZ PHE A 89 5.850 0.015 -12.424 1.00 61.43 H new ATOM 1276 N GLY A 90 6.906 8.055 -12.016 1.00 71.55 N ATOM 1277 CA GLY A 90 6.899 9.480 -11.746 1.00 63.00 C ATOM 1278 C GLY A 90 6.718 9.790 -10.273 1.00 53.44 C ATOM 1279 O GLY A 90 7.660 10.201 -9.597 1.00 21.44 O ATOM 0 H GLY A 90 6.091 7.712 -12.525 1.00 71.55 H new ATOM 0 HA2 GLY A 90 7.835 9.917 -12.094 1.00 63.00 H new ATOM 0 HA3 GLY A 90 6.097 9.950 -12.314 1.00 63.00 H new ATOM 1283 N SER A 91 5.501 9.595 -9.775 1.00 10.34 N ATOM 1284 CA SER A 91 5.197 9.861 -8.373 1.00 52.55 C ATOM 1285 C SER A 91 4.366 8.731 -7.773 1.00 52.12 C ATOM 1286 O SER A 91 4.025 7.764 -8.456 1.00 62.44 O ATOM 1287 CB SER A 91 4.448 11.188 -8.236 1.00 51.10 C ATOM 1288 OG SER A 91 5.300 12.205 -7.739 1.00 65.04 O ATOM 0 H SER A 91 4.710 9.254 -10.321 1.00 10.34 H new ATOM 0 HA SER A 91 6.139 9.924 -7.828 1.00 52.55 H new ATOM 0 HB2 SER A 91 4.048 11.485 -9.206 1.00 51.10 H new ATOM 0 HB3 SER A 91 3.598 11.062 -7.566 1.00 51.10 H new ATOM 0 HG SER A 91 4.798 13.043 -7.662 1.00 65.04 H new ATOM 1293 N LEU A 92 4.042 8.859 -6.492 1.00 25.00 N ATOM 1294 CA LEU A 92 3.251 7.850 -5.797 1.00 14.13 C ATOM 1295 C LEU A 92 1.963 7.550 -6.557 1.00 11.53 C ATOM 1296 O LEU A 92 1.504 6.408 -6.594 1.00 10.23 O ATOM 1297 CB LEU A 92 2.923 8.317 -4.378 1.00 53.11 C ATOM 1298 CG LEU A 92 3.945 7.959 -3.300 1.00 3.11 C ATOM 1299 CD1 LEU A 92 3.550 8.570 -1.964 1.00 53.31 C ATOM 1300 CD2 LEU A 92 4.083 6.448 -3.177 1.00 1.21 C ATOM 0 H LEU A 92 4.315 9.653 -5.912 1.00 25.00 H new ATOM 0 HA LEU A 92 3.841 6.935 -5.743 1.00 14.13 H new ATOM 0 HB2 LEU A 92 2.804 9.400 -4.392 1.00 53.11 H new ATOM 0 HB3 LEU A 92 1.960 7.895 -4.092 1.00 53.11 H new ATOM 0 HG LEU A 92 4.911 8.370 -3.592 1.00 3.11 H new ATOM 0 HD11 LEU A 92 4.290 8.304 -1.209 1.00 53.31 H new ATOM 0 HD12 LEU A 92 3.503 9.655 -2.060 1.00 53.31 H new ATOM 0 HD13 LEU A 92 2.573 8.190 -1.665 1.00 53.31 H new ATOM 0 HD21 LEU A 92 4.815 6.211 -2.405 1.00 1.21 H new ATOM 0 HD22 LEU A 92 3.119 6.015 -2.909 1.00 1.21 H new ATOM 0 HD23 LEU A 92 4.414 6.034 -4.130 1.00 1.21 H new ATOM 1311 N SER A 93 1.387 8.582 -7.164 1.00 10.51 N ATOM 1312 CA SER A 93 0.150 8.429 -7.922 1.00 41.44 C ATOM 1313 C SER A 93 0.395 7.646 -9.208 1.00 32.32 C ATOM 1314 O SER A 93 -0.459 6.880 -9.653 1.00 30.12 O ATOM 1315 CB SER A 93 -0.443 9.800 -8.252 1.00 13.31 C ATOM 1316 OG SER A 93 -1.825 9.845 -7.943 1.00 11.51 O ATOM 0 H SER A 93 1.756 9.533 -7.146 1.00 10.51 H new ATOM 0 HA SER A 93 -0.558 7.873 -7.307 1.00 41.44 H new ATOM 0 HB2 SER A 93 0.084 10.572 -7.691 1.00 13.31 H new ATOM 0 HB3 SER A 93 -0.296 10.018 -9.310 1.00 13.31 H new ATOM 0 HG SER A 93 -2.145 10.769 -8.009 1.00 11.51 H new ATOM 1321 N ALA A 94 1.567 7.844 -9.800 1.00 64.25 N ATOM 1322 CA ALA A 94 1.927 7.157 -11.034 1.00 33.45 C ATOM 1323 C ALA A 94 2.087 5.658 -10.800 1.00 12.12 C ATOM 1324 O ALA A 94 1.588 4.841 -11.576 1.00 2.34 O ATOM 1325 CB ALA A 94 3.207 7.741 -11.612 1.00 44.31 C ATOM 0 H ALA A 94 2.285 8.476 -9.445 1.00 64.25 H new ATOM 0 HA ALA A 94 1.119 7.304 -11.750 1.00 33.45 H new ATOM 0 HB1 ALA A 94 3.462 7.217 -12.533 1.00 44.31 H new ATOM 0 HB2 ALA A 94 3.060 8.800 -11.825 1.00 44.31 H new ATOM 0 HB3 ALA A 94 4.017 7.625 -10.892 1.00 44.31 H new ATOM 1331 N LEU A 95 2.786 5.303 -9.728 1.00 0.21 N ATOM 1332 CA LEU A 95 3.013 3.901 -9.392 1.00 12.52 C ATOM 1333 C LEU A 95 1.735 3.253 -8.869 1.00 54.13 C ATOM 1334 O LEU A 95 1.513 2.056 -9.055 1.00 1.53 O ATOM 1335 CB LEU A 95 4.123 3.781 -8.346 1.00 31.51 C ATOM 1336 CG LEU A 95 3.947 4.620 -7.081 1.00 25.25 C ATOM 1337 CD1 LEU A 95 3.079 3.886 -6.070 1.00 43.35 C ATOM 1338 CD2 LEU A 95 5.301 4.961 -6.475 1.00 61.31 C ATOM 0 H LEU A 95 3.206 5.966 -9.076 1.00 0.21 H new ATOM 0 HA LEU A 95 3.318 3.380 -10.299 1.00 12.52 H new ATOM 0 HB2 LEU A 95 4.208 2.734 -8.054 1.00 31.51 H new ATOM 0 HB3 LEU A 95 5.067 4.059 -8.814 1.00 31.51 H new ATOM 0 HG LEU A 95 3.447 5.550 -7.352 1.00 25.25 H new ATOM 0 HD11 LEU A 95 2.965 4.499 -5.176 1.00 43.35 H new ATOM 0 HD12 LEU A 95 2.098 3.692 -6.505 1.00 43.35 H new ATOM 0 HD13 LEU A 95 3.551 2.940 -5.804 1.00 43.35 H new ATOM 0 HD21 LEU A 95 5.157 5.559 -5.575 1.00 61.31 H new ATOM 0 HD22 LEU A 95 5.827 4.041 -6.219 1.00 61.31 H new ATOM 0 HD23 LEU A 95 5.890 5.528 -7.196 1.00 61.31 H new ATOM 1349 N VAL A 96 0.896 4.052 -8.218 1.00 14.34 N ATOM 1350 CA VAL A 96 -0.363 3.558 -7.672 1.00 14.04 C ATOM 1351 C VAL A 96 -1.352 3.225 -8.784 1.00 22.54 C ATOM 1352 O VAL A 96 -2.042 2.207 -8.730 1.00 73.42 O ATOM 1353 CB VAL A 96 -1.005 4.584 -6.720 1.00 61.50 C ATOM 1354 CG1 VAL A 96 -2.510 4.381 -6.652 1.00 11.34 C ATOM 1355 CG2 VAL A 96 -0.381 4.489 -5.337 1.00 2.45 C ATOM 0 H VAL A 96 1.065 5.045 -8.056 1.00 14.34 H new ATOM 0 HA VAL A 96 -0.130 2.652 -7.113 1.00 14.04 H new ATOM 0 HB VAL A 96 -0.816 5.584 -7.110 1.00 61.50 H new ATOM 0 HG11 VAL A 96 -2.946 5.115 -5.974 1.00 11.34 H new ATOM 0 HG12 VAL A 96 -2.939 4.505 -7.646 1.00 11.34 H new ATOM 0 HG13 VAL A 96 -2.726 3.377 -6.286 1.00 11.34 H new ATOM 0 HG21 VAL A 96 -0.846 5.221 -4.677 1.00 2.45 H new ATOM 0 HG22 VAL A 96 -0.537 3.488 -4.936 1.00 2.45 H new ATOM 0 HG23 VAL A 96 0.688 4.690 -5.406 1.00 2.45 H new ATOM 1365 N SER A 97 -1.414 4.089 -9.791 1.00 71.15 N ATOM 1366 CA SER A 97 -2.321 3.889 -10.916 1.00 2.04 C ATOM 1367 C SER A 97 -1.836 2.751 -11.809 1.00 4.23 C ATOM 1368 O SER A 97 -2.632 1.952 -12.299 1.00 33.14 O ATOM 1369 CB SER A 97 -2.445 5.177 -11.733 1.00 22.53 C ATOM 1370 OG SER A 97 -1.317 5.359 -12.572 1.00 4.21 O ATOM 0 H SER A 97 -0.847 4.935 -9.852 1.00 71.15 H new ATOM 0 HA SER A 97 -3.301 3.623 -10.519 1.00 2.04 H new ATOM 0 HB2 SER A 97 -3.351 5.142 -12.338 1.00 22.53 H new ATOM 0 HB3 SER A 97 -2.544 6.030 -11.061 1.00 22.53 H new ATOM 0 HG SER A 97 -0.497 5.224 -12.052 1.00 4.21 H new ATOM 1375 N GLN A 98 -0.524 2.686 -12.014 1.00 53.24 N ATOM 1376 CA GLN A 98 0.068 1.647 -12.849 1.00 54.40 C ATOM 1377 C GLN A 98 -0.032 0.284 -12.172 1.00 23.31 C ATOM 1378 O GLN A 98 -0.124 -0.747 -12.840 1.00 24.21 O ATOM 1379 CB GLN A 98 1.530 1.976 -13.149 1.00 61.31 C ATOM 1380 CG GLN A 98 1.708 3.146 -14.102 1.00 31.42 C ATOM 1381 CD GLN A 98 1.385 2.783 -15.538 1.00 70.01 C ATOM 1382 OE1 GLN A 98 1.595 1.648 -15.967 1.00 23.24 O ATOM 1383 NE2 GLN A 98 0.870 3.748 -16.292 1.00 43.14 N ATOM 0 H GLN A 98 0.149 3.340 -11.614 1.00 53.24 H new ATOM 0 HA GLN A 98 -0.487 1.608 -13.787 1.00 54.40 H new ATOM 0 HB2 GLN A 98 2.043 2.199 -12.213 1.00 61.31 H new ATOM 0 HB3 GLN A 98 2.012 1.096 -13.574 1.00 61.31 H new ATOM 0 HG2 GLN A 98 1.066 3.968 -13.786 1.00 31.42 H new ATOM 0 HG3 GLN A 98 2.736 3.504 -14.044 1.00 31.42 H new ATOM 0 HE21 GLN A 98 0.712 4.675 -15.897 1.00 43.14 H new ATOM 0 HE22 GLN A 98 0.632 3.562 -17.266 1.00 43.14 H new ATOM 1390 N HIS A 99 -0.013 0.286 -10.843 1.00 20.13 N ATOM 1391 CA HIS A 99 -0.100 -0.952 -10.076 1.00 52.34 C ATOM 1392 C HIS A 99 -1.501 -1.551 -10.168 1.00 51.44 C ATOM 1393 O HIS A 99 -1.731 -2.685 -9.750 1.00 63.22 O ATOM 1394 CB HIS A 99 0.262 -0.696 -8.613 1.00 11.34 C ATOM 1395 CG HIS A 99 1.733 -0.753 -8.342 1.00 2.34 C ATOM 1396 ND1 HIS A 99 2.718 -1.460 -8.943 1.00 71.04 N flip ATOM 1397 CD2 HIS A 99 2.344 -0.023 -7.343 1.00 11.34 C flip ATOM 1398 CE1 HIS A 99 3.892 -1.147 -8.305 1.00 61.22 C flip ATOM 1399 NE2 HIS A 99 3.640 -0.277 -7.344 1.00 65.44 N flip ATOM 0 H HIS A 99 0.062 1.130 -10.275 1.00 20.13 H new ATOM 0 HA HIS A 99 0.609 -1.664 -10.499 1.00 52.34 H new ATOM 0 HB2 HIS A 99 -0.115 0.284 -8.320 1.00 11.34 H new ATOM 0 HB3 HIS A 99 -0.243 -1.432 -7.988 1.00 11.34 H new ATOM 0 HD1 HIS A 99 2.608 -2.106 -9.725 1.00 71.04 H new ATOM 0 HD2 HIS A 99 1.841 0.651 -6.666 1.00 11.34 H new ATOM 0 HE1 HIS A 99 4.865 -1.547 -8.549 1.00 61.22 H new ATOM 1406 N SER A 100 -2.434 -0.780 -10.718 1.00 65.05 N ATOM 1407 CA SER A 100 -3.813 -1.231 -10.861 1.00 21.43 C ATOM 1408 C SER A 100 -4.038 -1.862 -12.233 1.00 3.14 C ATOM 1409 O SER A 100 -5.132 -2.336 -12.537 1.00 55.44 O ATOM 1410 CB SER A 100 -4.778 -0.063 -10.660 1.00 54.54 C ATOM 1411 OG SER A 100 -5.232 0.443 -11.904 1.00 50.53 O ATOM 0 H SER A 100 -2.259 0.161 -11.072 1.00 65.05 H new ATOM 0 HA SER A 100 -4.004 -1.985 -10.097 1.00 21.43 H new ATOM 0 HB2 SER A 100 -5.630 -0.390 -10.064 1.00 54.54 H new ATOM 0 HB3 SER A 100 -4.282 0.730 -10.100 1.00 54.54 H new ATOM 0 HG SER A 100 -4.540 1.015 -12.297 1.00 50.53 H new ATOM 1416 N ILE A 101 -2.994 -1.864 -13.054 1.00 73.43 N ATOM 1417 CA ILE A 101 -3.077 -2.437 -14.393 1.00 3.34 C ATOM 1418 C ILE A 101 -1.940 -3.423 -14.639 1.00 73.31 C ATOM 1419 O ILE A 101 -2.128 -4.454 -15.285 1.00 72.35 O ATOM 1420 CB ILE A 101 -3.038 -1.344 -15.477 1.00 23.03 C ATOM 1421 CG1 ILE A 101 -4.076 -0.260 -15.176 1.00 52.13 C ATOM 1422 CG2 ILE A 101 -3.280 -1.951 -16.850 1.00 14.33 C ATOM 1423 CD1 ILE A 101 -4.054 0.887 -16.161 1.00 62.23 C ATOM 0 H ILE A 101 -2.081 -1.476 -12.817 1.00 73.43 H new ATOM 0 HA ILE A 101 -4.030 -2.962 -14.454 1.00 3.34 H new ATOM 0 HB ILE A 101 -2.050 -0.885 -15.474 1.00 23.03 H new ATOM 0 HG12 ILE A 101 -5.069 -0.709 -15.176 1.00 52.13 H new ATOM 0 HG13 ILE A 101 -3.902 0.130 -14.173 1.00 52.13 H new ATOM 0 HG21 ILE A 101 -3.249 -1.166 -17.605 1.00 14.33 H new ATOM 0 HG22 ILE A 101 -2.507 -2.690 -17.063 1.00 14.33 H new ATOM 0 HG23 ILE A 101 -4.257 -2.433 -16.867 1.00 14.33 H new ATOM 0 HD11 ILE A 101 -4.815 1.617 -15.886 1.00 62.23 H new ATOM 0 HD12 ILE A 101 -3.073 1.362 -16.145 1.00 62.23 H new ATOM 0 HD13 ILE A 101 -4.258 0.510 -17.163 1.00 62.23 H new ATOM 1434 N SER A 102 -0.760 -3.100 -14.119 1.00 14.31 N ATOM 1435 CA SER A 102 0.409 -3.956 -14.285 1.00 12.51 C ATOM 1436 C SER A 102 1.245 -3.985 -13.009 1.00 70.41 C ATOM 1437 O SER A 102 2.295 -3.349 -12.910 1.00 42.04 O ATOM 1438 CB SER A 102 1.262 -3.469 -15.457 1.00 53.54 C ATOM 1439 OG SER A 102 2.008 -4.533 -16.022 1.00 4.32 O ATOM 0 H SER A 102 -0.588 -2.252 -13.579 1.00 14.31 H new ATOM 0 HA SER A 102 0.062 -4.968 -14.495 1.00 12.51 H new ATOM 0 HB2 SER A 102 0.620 -3.026 -16.219 1.00 53.54 H new ATOM 0 HB3 SER A 102 1.940 -2.686 -15.117 1.00 53.54 H new ATOM 0 HG SER A 102 2.544 -4.196 -16.770 1.00 4.32 H new ATOM 1444 N PRO A 103 0.771 -4.741 -12.008 1.00 74.24 N ATOM 1445 CA PRO A 103 1.459 -4.872 -10.721 1.00 25.44 C ATOM 1446 C PRO A 103 2.758 -5.666 -10.836 1.00 51.44 C ATOM 1447 O PRO A 103 2.787 -6.740 -11.435 1.00 62.31 O ATOM 1448 CB PRO A 103 0.448 -5.626 -9.853 1.00 61.10 C ATOM 1449 CG PRO A 103 -0.394 -6.381 -10.822 1.00 33.30 C ATOM 1450 CD PRO A 103 -0.474 -5.526 -12.056 1.00 22.53 C ATOM 0 HA PRO A 103 1.752 -3.904 -10.315 1.00 25.44 H new ATOM 0 HB2 PRO A 103 0.948 -6.298 -9.156 1.00 61.10 H new ATOM 0 HB3 PRO A 103 -0.153 -4.939 -9.258 1.00 61.10 H new ATOM 0 HG2 PRO A 103 0.047 -7.352 -11.048 1.00 33.30 H new ATOM 0 HG3 PRO A 103 -1.387 -6.569 -10.413 1.00 33.30 H new ATOM 0 HD2 PRO A 103 -0.533 -6.131 -12.961 1.00 22.53 H new ATOM 0 HD3 PRO A 103 -1.355 -4.884 -12.044 1.00 22.53 H new ATOM 1455 N ILE A 104 3.826 -5.128 -10.257 1.00 61.13 N ATOM 1456 CA ILE A 104 5.127 -5.787 -10.294 1.00 53.52 C ATOM 1457 C ILE A 104 5.361 -6.610 -9.033 1.00 25.02 C ATOM 1458 O ILE A 104 5.307 -7.840 -9.062 1.00 41.21 O ATOM 1459 CB ILE A 104 6.270 -4.767 -10.449 1.00 5.13 C ATOM 1460 CG1 ILE A 104 6.100 -3.969 -11.743 1.00 13.31 C ATOM 1461 CG2 ILE A 104 7.617 -5.475 -10.431 1.00 11.25 C ATOM 1462 CD1 ILE A 104 6.774 -2.616 -11.711 1.00 62.22 C ATOM 0 H ILE A 104 3.817 -4.239 -9.757 1.00 61.13 H new ATOM 0 HA ILE A 104 5.122 -6.448 -11.160 1.00 53.52 H new ATOM 0 HB ILE A 104 6.234 -4.073 -9.609 1.00 5.13 H new ATOM 0 HG12 ILE A 104 6.505 -4.548 -12.573 1.00 13.31 H new ATOM 0 HG13 ILE A 104 5.037 -3.832 -11.939 1.00 13.31 H new ATOM 0 HG21 ILE A 104 8.415 -4.741 -10.542 1.00 11.25 H new ATOM 0 HG22 ILE A 104 7.738 -6.003 -9.485 1.00 11.25 H new ATOM 0 HG23 ILE A 104 7.664 -6.189 -11.253 1.00 11.25 H new ATOM 0 HD11 ILE A 104 6.612 -2.106 -12.661 1.00 62.22 H new ATOM 0 HD12 ILE A 104 6.353 -2.019 -10.902 1.00 62.22 H new ATOM 0 HD13 ILE A 104 7.844 -2.746 -11.547 1.00 62.22 H new ATOM 1473 N SER A 105 5.620 -5.924 -7.924 1.00 62.13 N ATOM 1474 CA SER A 105 5.865 -6.592 -6.651 1.00 62.43 C ATOM 1475 C SER A 105 4.585 -6.669 -5.824 1.00 24.54 C ATOM 1476 O SER A 105 4.619 -6.559 -4.597 1.00 54.23 O ATOM 1477 CB SER A 105 6.951 -5.854 -5.865 1.00 51.01 C ATOM 1478 OG SER A 105 6.427 -4.696 -5.236 1.00 21.30 O ATOM 0 H SER A 105 5.666 -4.906 -7.881 1.00 62.13 H new ATOM 0 HA SER A 105 6.204 -7.607 -6.859 1.00 62.43 H new ATOM 0 HB2 SER A 105 7.376 -6.519 -5.113 1.00 51.01 H new ATOM 0 HB3 SER A 105 7.762 -5.572 -6.536 1.00 51.01 H new ATOM 0 HG SER A 105 5.773 -4.961 -4.556 1.00 21.30 H new ATOM 1483 N LEU A 106 3.461 -6.861 -6.503 1.00 42.33 N ATOM 1484 CA LEU A 106 2.168 -6.953 -5.832 1.00 34.41 C ATOM 1485 C LEU A 106 1.466 -8.261 -6.183 1.00 32.43 C ATOM 1486 O LEU A 106 1.713 -8.867 -7.225 1.00 75.35 O ATOM 1487 CB LEU A 106 1.284 -5.766 -6.217 1.00 74.43 C ATOM 1488 CG LEU A 106 1.710 -4.405 -5.667 1.00 63.41 C ATOM 1489 CD1 LEU A 106 0.898 -3.291 -6.310 1.00 20.42 C ATOM 1490 CD2 LEU A 106 1.559 -4.372 -4.153 1.00 70.15 C ATOM 0 H LEU A 106 3.417 -6.956 -7.518 1.00 42.33 H new ATOM 0 HA LEU A 106 2.342 -6.932 -4.756 1.00 34.41 H new ATOM 0 HB2 LEU A 106 1.251 -5.701 -7.305 1.00 74.43 H new ATOM 0 HB3 LEU A 106 0.268 -5.970 -5.878 1.00 74.43 H new ATOM 0 HG LEU A 106 2.761 -4.248 -5.912 1.00 63.41 H new ATOM 0 HD11 LEU A 106 1.215 -2.330 -5.906 1.00 20.42 H new ATOM 0 HD12 LEU A 106 1.056 -3.301 -7.388 1.00 20.42 H new ATOM 0 HD13 LEU A 106 -0.160 -3.443 -6.097 1.00 20.42 H new ATOM 0 HD21 LEU A 106 1.867 -3.396 -3.778 1.00 70.15 H new ATOM 0 HD22 LEU A 106 0.517 -4.551 -3.887 1.00 70.15 H new ATOM 0 HD23 LEU A 106 2.185 -5.145 -3.708 1.00 70.15 H new ATOM 1501 N PRO A 107 0.566 -8.707 -5.294 1.00 1.32 N ATOM 1502 CA PRO A 107 -0.193 -9.945 -5.489 1.00 14.13 C ATOM 1503 C PRO A 107 -1.218 -9.826 -6.611 1.00 72.52 C ATOM 1504 O PRO A 107 -1.403 -10.757 -7.397 1.00 32.23 O ATOM 1505 CB PRO A 107 -0.896 -10.147 -4.144 1.00 63.40 C ATOM 1506 CG PRO A 107 -1.000 -8.779 -3.563 1.00 2.54 C ATOM 1507 CD PRO A 107 0.221 -8.037 -4.029 1.00 52.24 C ATOM 0 HA PRO A 107 0.451 -10.775 -5.778 1.00 14.13 H new ATOM 0 HB2 PRO A 107 -1.880 -10.598 -4.275 1.00 63.40 H new ATOM 0 HB3 PRO A 107 -0.325 -10.811 -3.495 1.00 63.40 H new ATOM 0 HG2 PRO A 107 -1.910 -8.281 -3.897 1.00 2.54 H new ATOM 0 HG3 PRO A 107 -1.040 -8.819 -2.474 1.00 2.54 H new ATOM 0 HD2 PRO A 107 0.014 -6.977 -4.179 1.00 52.24 H new ATOM 0 HD3 PRO A 107 1.033 -8.104 -3.305 1.00 52.24 H new ATOM 1512 N CYS A 108 -1.880 -8.677 -6.683 1.00 71.13 N ATOM 1513 CA CYS A 108 -2.887 -8.437 -7.711 1.00 23.52 C ATOM 1514 C CYS A 108 -3.053 -6.943 -7.970 1.00 2.52 C ATOM 1515 O CYS A 108 -2.788 -6.118 -7.094 1.00 53.34 O ATOM 1516 CB CYS A 108 -4.225 -9.048 -7.296 1.00 14.14 C ATOM 1517 SG CYS A 108 -5.030 -10.013 -8.595 1.00 34.14 S ATOM 0 H CYS A 108 -1.738 -7.897 -6.042 1.00 71.13 H new ATOM 0 HA CYS A 108 -2.551 -8.912 -8.633 1.00 23.52 H new ATOM 0 HB2 CYS A 108 -4.066 -9.688 -6.428 1.00 14.14 H new ATOM 0 HB3 CYS A 108 -4.896 -8.248 -6.984 1.00 14.14 H new ATOM 0 HG CYS A 108 -6.153 -10.491 -8.148 1.00 34.14 H new ATOM 1522 N CYS A 109 -3.492 -6.602 -9.176 1.00 20.23 N ATOM 1523 CA CYS A 109 -3.693 -5.207 -9.551 1.00 63.53 C ATOM 1524 C CYS A 109 -4.556 -4.486 -8.522 1.00 14.22 C ATOM 1525 O CYS A 109 -5.625 -4.969 -8.145 1.00 52.03 O ATOM 1526 CB CYS A 109 -4.342 -5.117 -10.933 1.00 1.11 C ATOM 1527 SG CYS A 109 -5.932 -5.969 -11.059 1.00 44.43 S ATOM 0 H CYS A 109 -3.716 -7.273 -9.911 1.00 20.23 H new ATOM 0 HA CYS A 109 -2.718 -4.721 -9.584 1.00 63.53 H new ATOM 0 HB2 CYS A 109 -4.483 -4.067 -11.188 1.00 1.11 H new ATOM 0 HB3 CYS A 109 -3.658 -5.535 -11.672 1.00 1.11 H new ATOM 0 HG CYS A 109 -6.511 -5.982 -9.895 1.00 44.43 H new ATOM 1532 N LEU A 110 -4.086 -3.329 -8.068 1.00 55.22 N ATOM 1533 CA LEU A 110 -4.815 -2.542 -7.081 1.00 45.24 C ATOM 1534 C LEU A 110 -6.218 -2.206 -7.579 1.00 1.13 C ATOM 1535 O LEU A 110 -6.450 -2.096 -8.783 1.00 22.00 O ATOM 1536 CB LEU A 110 -4.053 -1.254 -6.763 1.00 42.23 C ATOM 1537 CG LEU A 110 -4.486 -0.511 -5.499 1.00 55.31 C ATOM 1538 CD1 LEU A 110 -3.307 0.221 -4.879 1.00 53.30 C ATOM 1539 CD2 LEU A 110 -5.615 0.461 -5.812 1.00 15.33 C ATOM 0 H LEU A 110 -3.203 -2.916 -8.368 1.00 55.22 H new ATOM 0 HA LEU A 110 -4.905 -3.138 -6.173 1.00 45.24 H new ATOM 0 HB2 LEU A 110 -2.994 -1.495 -6.673 1.00 42.23 H new ATOM 0 HB3 LEU A 110 -4.155 -0.577 -7.611 1.00 42.23 H new ATOM 0 HG LEU A 110 -4.852 -1.243 -4.779 1.00 55.31 H new ATOM 0 HD11 LEU A 110 -3.635 0.744 -3.981 1.00 53.30 H new ATOM 0 HD12 LEU A 110 -2.530 -0.497 -4.618 1.00 53.30 H new ATOM 0 HD13 LEU A 110 -2.910 0.942 -5.594 1.00 53.30 H new ATOM 0 HD21 LEU A 110 -5.911 0.981 -4.901 1.00 15.33 H new ATOM 0 HD22 LEU A 110 -5.276 1.187 -6.550 1.00 15.33 H new ATOM 0 HD23 LEU A 110 -6.469 -0.088 -6.209 1.00 15.33 H new ATOM 1550 N ARG A 111 -7.148 -2.043 -6.644 1.00 71.42 N ATOM 1551 CA ARG A 111 -8.527 -1.719 -6.988 1.00 51.42 C ATOM 1552 C ARG A 111 -8.806 -0.232 -6.780 1.00 24.25 C ATOM 1553 O ARG A 111 -8.596 0.301 -5.689 1.00 31.04 O ATOM 1554 CB ARG A 111 -9.495 -2.552 -6.146 1.00 30.24 C ATOM 1555 CG ARG A 111 -9.882 -3.873 -6.791 1.00 61.24 C ATOM 1556 CD ARG A 111 -8.687 -4.807 -6.910 1.00 51.34 C ATOM 1557 NE ARG A 111 -8.968 -6.128 -6.355 1.00 55.41 N ATOM 1558 CZ ARG A 111 -8.280 -7.219 -6.670 1.00 62.23 C ATOM 1559 NH1 ARG A 111 -7.275 -7.146 -7.533 1.00 21.21 N ATOM 1560 NH2 ARG A 111 -8.595 -8.385 -6.123 1.00 15.33 N ATOM 0 H ARG A 111 -6.972 -2.130 -5.643 1.00 71.42 H new ATOM 0 HA ARG A 111 -8.676 -1.955 -8.042 1.00 51.42 H new ATOM 0 HB2 ARG A 111 -9.041 -2.751 -5.175 1.00 30.24 H new ATOM 0 HB3 ARG A 111 -10.397 -1.969 -5.962 1.00 30.24 H new ATOM 0 HG2 ARG A 111 -10.662 -4.353 -6.200 1.00 61.24 H new ATOM 0 HG3 ARG A 111 -10.300 -3.687 -7.780 1.00 61.24 H new ATOM 0 HD2 ARG A 111 -8.408 -4.906 -7.959 1.00 51.34 H new ATOM 0 HD3 ARG A 111 -7.833 -4.371 -6.392 1.00 51.34 H new ATOM 0 HE ARG A 111 -9.735 -6.218 -5.689 1.00 55.41 H new ATOM 0 HH11 ARG A 111 -7.030 -6.251 -7.956 1.00 21.21 H new ATOM 0 HH12 ARG A 111 -6.748 -7.985 -7.774 1.00 21.21 H new ATOM 0 HH21 ARG A 111 -9.367 -8.445 -5.459 1.00 15.33 H new ATOM 0 HH22 ARG A 111 -8.065 -9.222 -6.366 1.00 15.33 H new ATOM 1571 N ILE A 112 -9.276 0.429 -7.831 1.00 1.03 N ATOM 1572 CA ILE A 112 -9.582 1.852 -7.763 1.00 42.23 C ATOM 1573 C ILE A 112 -8.413 2.639 -7.179 1.00 14.11 C ATOM 1574 O ILE A 112 -8.425 3.047 -6.017 1.00 54.52 O ATOM 1575 CB ILE A 112 -10.840 2.118 -6.914 1.00 21.10 C ATOM 1576 CG1 ILE A 112 -12.043 1.375 -7.499 1.00 22.44 C ATOM 1577 CG2 ILE A 112 -11.120 3.611 -6.833 1.00 72.15 C ATOM 1578 CD1 ILE A 112 -12.657 0.374 -6.545 1.00 21.10 C ATOM 0 H ILE A 112 -9.453 0.002 -8.740 1.00 1.03 H new ATOM 0 HA ILE A 112 -9.766 2.184 -8.785 1.00 42.23 H new ATOM 0 HB ILE A 112 -10.664 1.747 -5.904 1.00 21.10 H new ATOM 0 HG12 ILE A 112 -12.802 2.101 -7.789 1.00 22.44 H new ATOM 0 HG13 ILE A 112 -11.734 0.857 -8.407 1.00 22.44 H new ATOM 0 HG21 ILE A 112 -12.012 3.782 -6.230 1.00 72.15 H new ATOM 0 HG22 ILE A 112 -10.270 4.116 -6.375 1.00 72.15 H new ATOM 0 HG23 ILE A 112 -11.279 4.006 -7.836 1.00 72.15 H new ATOM 0 HD11 ILE A 112 -13.504 -0.115 -7.026 1.00 21.10 H new ATOM 0 HD12 ILE A 112 -11.912 -0.374 -6.274 1.00 21.10 H new ATOM 0 HD13 ILE A 112 -12.998 0.889 -5.647 1.00 21.10 H new ATOM 1589 N PRO A 113 -7.378 2.860 -8.003 1.00 15.43 N ATOM 1590 CA PRO A 113 -6.182 3.601 -7.591 1.00 52.25 C ATOM 1591 C PRO A 113 -6.463 5.086 -7.388 1.00 3.41 C ATOM 1592 O PRO A 113 -7.429 5.625 -7.927 1.00 32.04 O ATOM 1593 CB PRO A 113 -5.217 3.395 -8.761 1.00 41.14 C ATOM 1594 CG PRO A 113 -6.095 3.133 -9.935 1.00 53.11 C ATOM 1595 CD PRO A 113 -7.296 2.403 -9.401 1.00 4.15 C ATOM 0 HA PRO A 113 -5.794 3.251 -6.634 1.00 52.25 H new ATOM 0 HB2 PRO A 113 -4.595 4.276 -8.921 1.00 41.14 H new ATOM 0 HB3 PRO A 113 -4.543 2.558 -8.576 1.00 41.14 H new ATOM 0 HG2 PRO A 113 -6.388 4.065 -10.418 1.00 53.11 H new ATOM 0 HG3 PRO A 113 -5.576 2.535 -10.684 1.00 53.11 H new ATOM 0 HD2 PRO A 113 -8.199 2.652 -9.959 1.00 4.15 H new ATOM 0 HD3 PRO A 113 -7.170 1.322 -9.464 1.00 4.15 H new ATOM 1600 N SER A 114 -5.612 5.742 -6.605 1.00 71.21 N ATOM 1601 CA SER A 114 -5.770 7.165 -6.327 1.00 41.24 C ATOM 1602 C SER A 114 -5.721 7.979 -7.617 1.00 33.41 C ATOM 1603 O SER A 114 -6.202 9.112 -7.670 1.00 13.14 O ATOM 1604 CB SER A 114 -4.680 7.643 -5.367 1.00 51.41 C ATOM 1605 OG SER A 114 -4.257 8.956 -5.689 1.00 63.43 O ATOM 0 H SER A 114 -4.806 5.311 -6.152 1.00 71.21 H new ATOM 0 HA SER A 114 -6.744 7.313 -5.861 1.00 41.24 H new ATOM 0 HB2 SER A 114 -5.056 7.619 -4.344 1.00 51.41 H new ATOM 0 HB3 SER A 114 -3.829 6.963 -5.410 1.00 51.41 H new ATOM 0 HG SER A 114 -3.561 9.239 -5.060 1.00 63.43 H new ATOM 1610 N LYS A 115 -5.135 7.394 -8.656 1.00 34.12 N ATOM 1611 CA LYS A 115 -5.023 8.062 -9.947 1.00 33.50 C ATOM 1612 C LYS A 115 -5.524 7.161 -11.072 1.00 52.41 C ATOM 1613 O LYS A 115 -5.172 5.984 -11.141 1.00 30.44 O ATOM 1614 CB LYS A 115 -3.570 8.464 -10.212 1.00 3.14 C ATOM 1615 CG LYS A 115 -3.392 9.944 -10.505 1.00 11.14 C ATOM 1616 CD LYS A 115 -3.614 10.252 -11.976 1.00 15.21 C ATOM 1617 CE LYS A 115 -3.810 11.742 -12.210 1.00 32.44 C ATOM 1618 NZ LYS A 115 -3.668 12.100 -13.648 1.00 71.55 N ATOM 0 H LYS A 115 -4.730 6.458 -8.629 1.00 34.12 H new ATOM 0 HA LYS A 115 -5.643 8.958 -9.919 1.00 33.50 H new ATOM 0 HB2 LYS A 115 -2.965 8.198 -9.345 1.00 3.14 H new ATOM 0 HB3 LYS A 115 -3.190 7.887 -11.055 1.00 3.14 H new ATOM 0 HG2 LYS A 115 -4.092 10.522 -9.902 1.00 11.14 H new ATOM 0 HG3 LYS A 115 -2.389 10.255 -10.215 1.00 11.14 H new ATOM 0 HD2 LYS A 115 -2.760 9.901 -12.555 1.00 15.21 H new ATOM 0 HD3 LYS A 115 -4.488 9.708 -12.335 1.00 15.21 H new ATOM 0 HE2 LYS A 115 -4.798 12.038 -11.858 1.00 32.44 H new ATOM 0 HE3 LYS A 115 -3.081 12.301 -11.623 1.00 32.44 H new ATOM 0 HZ1 LYS A 115 -3.808 13.124 -13.766 1.00 71.55 H new ATOM 0 HZ2 LYS A 115 -2.716 11.841 -13.978 1.00 71.55 H new ATOM 0 HZ3 LYS A 115 -4.380 11.586 -14.206 1.00 71.55 H new TER 1628 LYS A 115