USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 927 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 TYR OH : rot 32:sc= 0.523 USER MOD Set 1.2: A 97 THR OG1 : rot 74:sc= 0.754 USER MOD Set 2.1: A 67 THR OG1 : rot -79:sc= 0.372 USER MOD Set 2.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 18 MET CE :methyl -140:sc= -3.06! (180deg=-3.89!) USER MOD Set 3.2: A 60 SER OG : rot 96:sc= -0.148 USER MOD Set 4.1: A 6 HIS : no HD1:sc= 0.0993 X(o=0.2,f=0) USER MOD Set 4.2: A 8 HIS :FLIP no HE2:sc= 0.101 F(o=-0.91,f=0.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0801) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc=-0.00172 X(o=-0.0017,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 11 MET CE :methyl 153:sc= -1.4 (180deg=-2.51!) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= -0.013 (180deg=-0.0818) USER MOD Single : A 15 THR OG1 : rot -89:sc= 0.793 USER MOD Single : A 17 GLN : amide:sc= -0.221 K(o=-0.22,f=-3.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 82:sc= 0.327 USER MOD Single : A 29 TYR OH : rot 28:sc= -0.396 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : +bothHN:sc= -0.36 K(o=-0.36,f=-3.8!) USER MOD Single : A 47 HIS : no HE2:sc= 0.00222 X(o=0.0022,f=-0.065) USER MOD Single : A 48 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.13) USER MOD Single : A 56 CYS SG : rot 180:sc= -0.553 USER MOD Single : A 58 THR OG1 : rot -9:sc= 0.691 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -114:sc= 0.46 USER MOD Single : A 74 GLN : amide:sc= -0.479 K(o=-0.48,f=-2.8!) USER MOD Single : A 76 ASN : amide:sc= -2.09! C(o=-2.1!,f=-6.4!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.022) USER MOD Single : A 88 SER OG : rot 59:sc= 1.34 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 101 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00486) USER MOD Single : A 102 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00215) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.965 12.209 -18.213 1.00 51.24 N ATOM 2 CA MET A 1 -18.823 11.334 -18.601 1.00 53.33 C ATOM 3 C MET A 1 -18.483 10.393 -17.431 1.00 23.45 C ATOM 4 O MET A 1 -18.202 9.203 -17.641 1.00 11.21 O ATOM 5 CB MET A 1 -17.605 12.204 -19.043 1.00 20.30 C ATOM 6 CG MET A 1 -16.465 11.468 -19.782 1.00 15.35 C ATOM 7 SD MET A 1 -15.480 10.380 -18.722 1.00 34.42 S ATOM 8 CE MET A 1 -14.207 9.804 -19.858 1.00 72.21 C ATOM 0 H1 MET A 1 -20.307 12.724 -19.049 1.00 51.24 H new ATOM 0 H2 MET A 1 -20.734 11.625 -17.827 1.00 51.24 H new ATOM 0 H3 MET A 1 -19.652 12.889 -17.492 1.00 51.24 H new ATOM 0 HA MET A 1 -19.095 10.715 -19.456 1.00 53.33 H new ATOM 0 HB2 MET A 1 -17.972 13.001 -19.689 1.00 20.30 H new ATOM 0 HB3 MET A 1 -17.186 12.680 -18.156 1.00 20.30 H new ATOM 0 HG2 MET A 1 -16.893 10.878 -20.592 1.00 15.35 H new ATOM 0 HG3 MET A 1 -15.806 12.206 -20.239 1.00 15.35 H new ATOM 0 HE1 MET A 1 -13.532 9.126 -19.335 1.00 72.21 H new ATOM 0 HE2 MET A 1 -14.674 9.280 -20.692 1.00 72.21 H new ATOM 0 HE3 MET A 1 -13.643 10.657 -20.236 1.00 72.21 H new ATOM 20 N GLY A 2 -18.535 10.930 -16.191 1.00 1.21 N ATOM 21 CA GLY A 2 -18.345 10.130 -14.976 1.00 14.34 C ATOM 22 C GLY A 2 -17.642 10.907 -13.866 1.00 70.03 C ATOM 23 O GLY A 2 -17.734 12.141 -13.809 1.00 52.10 O ATOM 0 H GLY A 2 -18.708 11.919 -16.013 1.00 1.21 H new ATOM 0 HA2 GLY A 2 -19.315 9.787 -14.616 1.00 14.34 H new ATOM 0 HA3 GLY A 2 -17.762 9.241 -15.218 1.00 14.34 H new ATOM 27 N HIS A 3 -16.926 10.174 -12.991 1.00 32.34 N ATOM 28 CA HIS A 3 -16.272 10.749 -11.798 1.00 64.24 C ATOM 29 C HIS A 3 -14.919 11.410 -12.162 1.00 23.22 C ATOM 30 O HIS A 3 -13.860 10.777 -12.089 1.00 75.14 O ATOM 31 CB HIS A 3 -16.097 9.648 -10.703 1.00 52.04 C ATOM 32 CG HIS A 3 -15.671 10.179 -9.343 1.00 5.34 C ATOM 33 ND1 HIS A 3 -16.558 10.382 -8.303 1.00 53.42 N ATOM 34 CD2 HIS A 3 -14.453 10.556 -8.865 1.00 31.24 C ATOM 35 CE1 HIS A 3 -15.911 10.865 -7.257 1.00 42.40 C ATOM 36 NE2 HIS A 3 -14.635 10.976 -7.572 1.00 0.33 N ATOM 0 H HIS A 3 -16.785 9.169 -13.091 1.00 32.34 H new ATOM 0 HA HIS A 3 -16.911 11.535 -11.395 1.00 64.24 H new ATOM 0 HB2 HIS A 3 -17.039 9.111 -10.591 1.00 52.04 H new ATOM 0 HB3 HIS A 3 -15.356 8.926 -11.046 1.00 52.04 H new ATOM 0 HD2 HIS A 3 -13.517 10.529 -9.404 1.00 31.24 H new ATOM 0 HE1 HIS A 3 -16.352 11.125 -6.306 1.00 42.40 H new ATOM 0 HE2 HIS A 3 -13.901 11.319 -6.953 1.00 0.33 H new ATOM 45 N HIS A 4 -14.991 12.673 -12.615 1.00 42.13 N ATOM 46 CA HIS A 4 -13.831 13.578 -12.737 1.00 44.12 C ATOM 47 C HIS A 4 -14.268 14.954 -12.212 1.00 71.33 C ATOM 48 O HIS A 4 -14.649 15.844 -12.982 1.00 51.43 O ATOM 49 CB HIS A 4 -13.296 13.678 -14.202 1.00 74.22 C ATOM 50 CG HIS A 4 -12.612 12.436 -14.730 1.00 21.22 C ATOM 51 ND1 HIS A 4 -13.008 11.777 -15.877 1.00 33.14 N ATOM 52 CD2 HIS A 4 -11.514 11.767 -14.285 1.00 65.05 C ATOM 53 CE1 HIS A 4 -12.189 10.766 -16.111 1.00 10.32 C ATOM 54 NE2 HIS A 4 -11.273 10.737 -15.163 1.00 14.44 N ATOM 0 H HIS A 4 -15.868 13.102 -12.911 1.00 42.13 H new ATOM 0 HA HIS A 4 -13.001 13.183 -12.152 1.00 44.12 H new ATOM 0 HB2 HIS A 4 -14.131 13.920 -14.860 1.00 74.22 H new ATOM 0 HB3 HIS A 4 -12.594 14.510 -14.258 1.00 74.22 H new ATOM 0 HD2 HIS A 4 -10.937 12.002 -13.403 1.00 65.05 H new ATOM 0 HE1 HIS A 4 -12.259 10.078 -16.941 1.00 10.32 H new ATOM 0 HE2 HIS A 4 -10.512 10.062 -15.093 1.00 14.44 H new ATOM 63 N HIS A 5 -14.288 15.088 -10.876 1.00 25.35 N ATOM 64 CA HIS A 5 -14.703 16.327 -10.198 1.00 53.24 C ATOM 65 C HIS A 5 -13.463 17.164 -9.867 1.00 14.04 C ATOM 66 O HIS A 5 -12.798 16.976 -8.835 1.00 30.12 O ATOM 67 CB HIS A 5 -15.584 16.007 -8.955 1.00 34.10 C ATOM 68 CG HIS A 5 -17.002 15.609 -9.324 1.00 51.34 C ATOM 69 ND1 HIS A 5 -18.092 16.448 -9.171 1.00 24.41 N ATOM 70 CD2 HIS A 5 -17.494 14.478 -9.902 1.00 45.44 C ATOM 71 CE1 HIS A 5 -19.177 15.856 -9.637 1.00 22.10 C ATOM 72 NE2 HIS A 5 -18.845 14.660 -10.088 1.00 2.12 N ATOM 0 H HIS A 5 -14.017 14.341 -10.236 1.00 25.35 H new ATOM 0 HA HIS A 5 -15.330 16.925 -10.859 1.00 53.24 H new ATOM 0 HB2 HIS A 5 -15.122 15.200 -8.386 1.00 34.10 H new ATOM 0 HB3 HIS A 5 -15.615 16.880 -8.303 1.00 34.10 H new ATOM 0 HD2 HIS A 5 -16.927 13.598 -10.166 1.00 45.44 H new ATOM 0 HE1 HIS A 5 -20.170 16.280 -9.647 1.00 22.10 H new ATOM 0 HE2 HIS A 5 -19.484 13.983 -10.505 1.00 2.12 H new ATOM 81 N HIS A 6 -13.145 18.048 -10.824 1.00 25.04 N ATOM 82 CA HIS A 6 -11.974 18.919 -10.789 1.00 71.52 C ATOM 83 C HIS A 6 -12.134 20.023 -9.725 1.00 4.01 C ATOM 84 O HIS A 6 -12.846 21.014 -9.932 1.00 60.42 O ATOM 85 CB HIS A 6 -11.748 19.529 -12.203 1.00 14.04 C ATOM 86 CG HIS A 6 -10.637 20.560 -12.311 1.00 24.41 C ATOM 87 ND1 HIS A 6 -10.737 21.666 -13.123 1.00 65.35 N ATOM 88 CD2 HIS A 6 -9.412 20.645 -11.724 1.00 12.54 C ATOM 89 CE1 HIS A 6 -9.640 22.380 -13.038 1.00 62.53 C ATOM 90 NE2 HIS A 6 -8.810 21.788 -12.196 1.00 75.54 N ATOM 0 H HIS A 6 -13.713 18.176 -11.662 1.00 25.04 H new ATOM 0 HA HIS A 6 -11.099 18.331 -10.510 1.00 71.52 H new ATOM 0 HB2 HIS A 6 -11.533 18.717 -12.898 1.00 14.04 H new ATOM 0 HB3 HIS A 6 -12.679 19.991 -12.531 1.00 14.04 H new ATOM 0 HD2 HIS A 6 -8.991 19.945 -11.018 1.00 12.54 H new ATOM 0 HE1 HIS A 6 -9.446 23.300 -13.569 1.00 62.53 H new ATOM 0 HE2 HIS A 6 -7.881 22.122 -11.940 1.00 75.54 H new ATOM 99 N HIS A 7 -11.528 19.784 -8.564 1.00 2.35 N ATOM 100 CA HIS A 7 -11.188 20.829 -7.592 1.00 23.15 C ATOM 101 C HIS A 7 -9.667 21.033 -7.702 1.00 21.44 C ATOM 102 O HIS A 7 -8.931 20.042 -7.785 1.00 1.52 O ATOM 103 CB HIS A 7 -11.594 20.391 -6.159 1.00 51.14 C ATOM 104 CG HIS A 7 -11.568 21.504 -5.124 1.00 14.24 C ATOM 105 ND1 HIS A 7 -12.652 22.329 -4.886 1.00 51.23 N ATOM 106 CD2 HIS A 7 -10.589 21.935 -4.280 1.00 63.21 C ATOM 107 CE1 HIS A 7 -12.341 23.216 -3.959 1.00 11.12 C ATOM 108 NE2 HIS A 7 -11.098 22.999 -3.574 1.00 72.34 N ATOM 0 H HIS A 7 -11.254 18.848 -8.265 1.00 2.35 H new ATOM 0 HA HIS A 7 -11.722 21.757 -7.796 1.00 23.15 H new ATOM 0 HB2 HIS A 7 -12.598 19.969 -6.194 1.00 51.14 H new ATOM 0 HB3 HIS A 7 -10.924 19.595 -5.834 1.00 51.14 H new ATOM 0 HD2 HIS A 7 -9.597 21.518 -4.184 1.00 63.21 H new ATOM 0 HE1 HIS A 7 -12.994 23.989 -3.580 1.00 11.12 H new ATOM 0 HE2 HIS A 7 -10.595 23.535 -2.866 1.00 72.34 H new ATOM 117 N HIS A 8 -9.196 22.298 -7.722 1.00 50.33 N ATOM 118 CA HIS A 8 -7.758 22.623 -7.955 1.00 24.04 C ATOM 119 C HIS A 8 -6.854 22.007 -6.853 1.00 23.30 C ATOM 120 O HIS A 8 -5.730 21.575 -7.136 1.00 24.44 O ATOM 121 CB HIS A 8 -7.533 24.157 -8.024 1.00 23.44 C ATOM 122 CG HIS A 8 -8.391 24.893 -9.032 1.00 35.43 C ATOM 123 ND1 HIS A 8 -8.821 24.549 -10.271 1.00 52.21 N flip ATOM 124 CD2 HIS A 8 -8.885 26.162 -8.803 1.00 35.44 C flip ATOM 125 CE1 HIS A 8 -9.552 25.601 -10.758 1.00 54.54 C flip ATOM 126 NE2 HIS A 8 -9.581 26.560 -9.855 1.00 72.33 N flip ATOM 0 H HIS A 8 -9.786 23.118 -7.580 1.00 50.33 H new ATOM 0 HA HIS A 8 -7.482 22.186 -8.915 1.00 24.04 H new ATOM 0 HB2 HIS A 8 -7.719 24.579 -7.036 1.00 23.44 H new ATOM 0 HB3 HIS A 8 -6.485 24.344 -8.259 1.00 23.44 H new ATOM 0 HD1 HIS A 8 -8.635 23.669 -10.752 1.00 52.21 H new ATOM 0 HD2 HIS A 8 -8.727 26.740 -7.904 1.00 35.44 H new ATOM 0 HE1 HIS A 8 -10.028 25.638 -11.727 1.00 54.54 H new ATOM 135 N SER A 9 -7.371 22.021 -5.605 1.00 11.21 N ATOM 136 CA SER A 9 -6.795 21.313 -4.438 1.00 1.21 C ATOM 137 C SER A 9 -5.374 21.827 -4.078 1.00 25.15 C ATOM 138 O SER A 9 -4.365 21.192 -4.420 1.00 11.43 O ATOM 139 CB SER A 9 -6.818 19.774 -4.673 1.00 14.44 C ATOM 140 OG SER A 9 -6.392 19.065 -3.524 1.00 44.24 O ATOM 0 H SER A 9 -8.220 22.537 -5.374 1.00 11.21 H new ATOM 0 HA SER A 9 -7.421 21.533 -3.573 1.00 1.21 H new ATOM 0 HB2 SER A 9 -7.827 19.461 -4.941 1.00 14.44 H new ATOM 0 HB3 SER A 9 -6.173 19.524 -5.515 1.00 14.44 H new ATOM 0 HG SER A 9 -6.420 18.102 -3.705 1.00 44.24 H new ATOM 146 N HIS A 10 -5.314 23.014 -3.426 1.00 31.34 N ATOM 147 CA HIS A 10 -4.044 23.651 -2.991 1.00 75.33 C ATOM 148 C HIS A 10 -4.218 24.297 -1.605 1.00 23.20 C ATOM 149 O HIS A 10 -4.195 25.518 -1.438 1.00 72.41 O ATOM 150 CB HIS A 10 -3.488 24.650 -4.057 1.00 41.24 C ATOM 151 CG HIS A 10 -2.852 23.958 -5.238 1.00 65.22 C ATOM 152 ND1 HIS A 10 -3.576 23.466 -6.307 1.00 14.03 N ATOM 153 CD2 HIS A 10 -1.566 23.607 -5.473 1.00 63.04 C ATOM 154 CE1 HIS A 10 -2.763 22.844 -7.134 1.00 14.23 C ATOM 155 NE2 HIS A 10 -1.540 22.913 -6.653 1.00 73.53 N ATOM 0 H HIS A 10 -6.143 23.557 -3.187 1.00 31.34 H new ATOM 0 HA HIS A 10 -3.287 22.872 -2.899 1.00 75.33 H new ATOM 0 HB2 HIS A 10 -4.300 25.286 -4.410 1.00 41.24 H new ATOM 0 HB3 HIS A 10 -2.753 25.303 -3.586 1.00 41.24 H new ATOM 0 HD2 HIS A 10 -0.717 23.833 -4.845 1.00 63.04 H new ATOM 0 HE1 HIS A 10 -3.051 22.358 -8.054 1.00 14.23 H new ATOM 0 HE2 HIS A 10 -0.708 22.514 -7.088 1.00 73.53 H new ATOM 164 N MET A 11 -4.516 23.411 -0.646 1.00 64.33 N ATOM 165 CA MET A 11 -4.232 23.585 0.793 1.00 1.11 C ATOM 166 C MET A 11 -3.533 22.268 1.217 1.00 41.43 C ATOM 167 O MET A 11 -4.103 21.444 1.933 1.00 62.03 O ATOM 168 CB MET A 11 -5.523 23.883 1.637 1.00 32.25 C ATOM 169 CG MET A 11 -6.091 25.325 1.526 1.00 32.02 C ATOM 170 SD MET A 11 -5.161 26.572 2.479 1.00 23.23 S ATOM 171 CE MET A 11 -3.800 27.038 1.398 1.00 73.43 C ATOM 0 H MET A 11 -4.976 22.524 -0.852 1.00 64.33 H new ATOM 0 HA MET A 11 -3.602 24.455 0.976 1.00 1.11 H new ATOM 0 HB2 MET A 11 -6.301 23.183 1.333 1.00 32.25 H new ATOM 0 HB3 MET A 11 -5.303 23.680 2.685 1.00 32.25 H new ATOM 0 HG2 MET A 11 -6.101 25.620 0.477 1.00 32.02 H new ATOM 0 HG3 MET A 11 -7.127 25.322 1.866 1.00 32.02 H new ATOM 0 HE1 MET A 11 -3.484 28.055 1.629 1.00 73.43 H new ATOM 0 HE2 MET A 11 -2.964 26.355 1.550 1.00 73.43 H new ATOM 0 HE3 MET A 11 -4.126 26.987 0.359 1.00 73.43 H new ATOM 181 N PRO A 12 -2.261 22.045 0.727 1.00 54.42 N ATOM 182 CA PRO A 12 -1.630 20.712 0.636 1.00 63.31 C ATOM 183 C PRO A 12 -0.780 20.357 1.881 1.00 42.13 C ATOM 184 O PRO A 12 0.313 19.800 1.774 1.00 12.13 O ATOM 185 CB PRO A 12 -0.783 20.873 -0.662 1.00 51.25 C ATOM 186 CG PRO A 12 -0.479 22.356 -0.788 1.00 32.33 C ATOM 187 CD PRO A 12 -1.294 23.075 0.279 1.00 22.53 C ATOM 0 HA PRO A 12 -2.339 19.885 0.601 1.00 63.31 H new ATOM 0 HB2 PRO A 12 0.137 20.291 -0.602 1.00 51.25 H new ATOM 0 HB3 PRO A 12 -1.332 20.513 -1.532 1.00 51.25 H new ATOM 0 HG2 PRO A 12 0.586 22.544 -0.650 1.00 32.33 H new ATOM 0 HG3 PRO A 12 -0.741 22.719 -1.782 1.00 32.33 H new ATOM 0 HD2 PRO A 12 -0.665 23.420 1.100 1.00 22.53 H new ATOM 0 HD3 PRO A 12 -1.800 23.952 -0.125 1.00 22.53 H new ATOM 195 N LYS A 13 -1.355 20.638 3.061 1.00 10.11 N ATOM 196 CA LYS A 13 -0.743 20.329 4.376 1.00 45.20 C ATOM 197 C LYS A 13 -0.896 18.827 4.723 1.00 74.43 C ATOM 198 O LYS A 13 -0.259 18.323 5.660 1.00 65.12 O ATOM 199 CB LYS A 13 -1.406 21.229 5.456 1.00 25.45 C ATOM 200 CG LYS A 13 -1.351 22.738 5.112 1.00 62.44 C ATOM 201 CD LYS A 13 -2.014 23.638 6.179 1.00 55.41 C ATOM 202 CE LYS A 13 -2.006 25.124 5.773 1.00 32.52 C ATOM 203 NZ LYS A 13 -0.629 25.642 5.514 1.00 34.21 N ATOM 0 H LYS A 13 -2.266 21.090 3.137 1.00 10.11 H new ATOM 0 HA LYS A 13 0.326 20.537 4.339 1.00 45.20 H new ATOM 0 HB2 LYS A 13 -2.447 20.929 5.580 1.00 25.45 H new ATOM 0 HB3 LYS A 13 -0.910 21.063 6.412 1.00 25.45 H new ATOM 0 HG2 LYS A 13 -0.310 23.037 4.992 1.00 62.44 H new ATOM 0 HG3 LYS A 13 -1.843 22.902 4.153 1.00 62.44 H new ATOM 0 HD2 LYS A 13 -3.042 23.312 6.339 1.00 55.41 H new ATOM 0 HD3 LYS A 13 -1.491 23.519 7.128 1.00 55.41 H new ATOM 0 HE2 LYS A 13 -2.614 25.255 4.878 1.00 32.52 H new ATOM 0 HE3 LYS A 13 -2.470 25.715 6.563 1.00 32.52 H new ATOM 0 HZ1 LYS A 13 -0.668 26.670 5.361 1.00 34.21 H new ATOM 0 HZ2 LYS A 13 -0.021 25.436 6.332 1.00 34.21 H new ATOM 0 HZ3 LYS A 13 -0.238 25.181 4.668 1.00 34.21 H new ATOM 217 N ALA A 14 -1.741 18.127 3.937 1.00 0.02 N ATOM 218 CA ALA A 14 -1.972 16.674 4.063 1.00 22.42 C ATOM 219 C ALA A 14 -0.676 15.875 3.820 1.00 52.34 C ATOM 220 O ALA A 14 -0.501 14.815 4.410 1.00 52.05 O ATOM 221 CB ALA A 14 -3.077 16.231 3.085 1.00 42.42 C ATOM 0 H ALA A 14 -2.286 18.559 3.191 1.00 0.02 H new ATOM 0 HA ALA A 14 -2.297 16.467 5.083 1.00 22.42 H new ATOM 0 HB1 ALA A 14 -3.242 15.158 3.184 1.00 42.42 H new ATOM 0 HB2 ALA A 14 -4.001 16.763 3.315 1.00 42.42 H new ATOM 0 HB3 ALA A 14 -2.772 16.459 2.064 1.00 42.42 H new ATOM 227 N THR A 15 0.224 16.429 2.971 1.00 25.44 N ATOM 228 CA THR A 15 1.526 15.816 2.603 1.00 42.10 C ATOM 229 C THR A 15 2.351 15.416 3.848 1.00 23.31 C ATOM 230 O THR A 15 2.952 14.336 3.885 1.00 33.42 O ATOM 231 CB THR A 15 2.374 16.805 1.729 1.00 45.33 C ATOM 232 OG1 THR A 15 2.515 18.049 2.433 1.00 64.41 O ATOM 233 CG2 THR A 15 1.744 17.070 0.346 1.00 52.32 C ATOM 0 H THR A 15 0.064 17.328 2.515 1.00 25.44 H new ATOM 0 HA THR A 15 1.299 14.915 2.033 1.00 42.10 H new ATOM 0 HB THR A 15 3.345 16.340 1.557 1.00 45.33 H new ATOM 0 HG1 THR A 15 1.767 18.640 2.206 1.00 64.41 H new ATOM 0 HG21 THR A 15 2.374 17.761 -0.214 1.00 52.32 H new ATOM 0 HG22 THR A 15 1.659 16.131 -0.201 1.00 52.32 H new ATOM 0 HG23 THR A 15 0.753 17.506 0.475 1.00 52.32 H new ATOM 241 N ALA A 16 2.340 16.300 4.862 1.00 73.44 N ATOM 242 CA ALA A 16 3.096 16.125 6.111 1.00 72.43 C ATOM 243 C ALA A 16 2.654 14.848 6.851 1.00 62.01 C ATOM 244 O ALA A 16 3.440 13.903 7.006 1.00 52.14 O ATOM 245 CB ALA A 16 2.928 17.376 7.002 1.00 44.52 C ATOM 0 H ALA A 16 1.799 17.165 4.835 1.00 73.44 H new ATOM 0 HA ALA A 16 4.153 16.009 5.870 1.00 72.43 H new ATOM 0 HB1 ALA A 16 3.490 17.242 7.927 1.00 44.52 H new ATOM 0 HB2 ALA A 16 3.303 18.252 6.473 1.00 44.52 H new ATOM 0 HB3 ALA A 16 1.873 17.517 7.236 1.00 44.52 H new ATOM 251 N GLN A 17 1.365 14.819 7.235 1.00 53.41 N ATOM 252 CA GLN A 17 0.793 13.735 8.061 1.00 34.21 C ATOM 253 C GLN A 17 0.704 12.417 7.268 1.00 64.43 C ATOM 254 O GLN A 17 0.959 11.344 7.815 1.00 11.54 O ATOM 255 CB GLN A 17 -0.604 14.148 8.625 1.00 4.45 C ATOM 256 CG GLN A 17 -0.678 15.560 9.278 1.00 34.40 C ATOM 257 CD GLN A 17 0.198 15.774 10.531 1.00 2.12 C ATOM 258 OE1 GLN A 17 1.265 15.180 10.700 1.00 54.31 O ATOM 259 NE2 GLN A 17 -0.250 16.650 11.426 1.00 42.40 N ATOM 0 H GLN A 17 0.691 15.542 6.984 1.00 53.41 H new ATOM 0 HA GLN A 17 1.462 13.566 8.905 1.00 34.21 H new ATOM 0 HB2 GLN A 17 -1.330 14.105 7.813 1.00 4.45 H new ATOM 0 HB3 GLN A 17 -0.909 13.409 9.366 1.00 4.45 H new ATOM 0 HG2 GLN A 17 -0.393 16.300 8.530 1.00 34.40 H new ATOM 0 HG3 GLN A 17 -1.715 15.760 9.546 1.00 34.40 H new ATOM 0 HE21 GLN A 17 -1.135 17.132 11.269 1.00 42.40 H new ATOM 0 HE22 GLN A 17 0.292 16.840 12.269 1.00 42.40 H new ATOM 268 N MET A 18 0.391 12.526 5.968 1.00 24.21 N ATOM 269 CA MET A 18 0.308 11.368 5.060 1.00 42.51 C ATOM 270 C MET A 18 1.678 10.677 4.955 1.00 0.34 C ATOM 271 O MET A 18 1.769 9.468 5.156 1.00 61.02 O ATOM 272 CB MET A 18 -0.154 11.810 3.655 1.00 73.44 C ATOM 273 CG MET A 18 -0.182 10.697 2.584 1.00 65.31 C ATOM 274 SD MET A 18 -0.114 11.368 0.920 1.00 4.31 S ATOM 275 CE MET A 18 1.424 12.280 1.045 1.00 1.31 C ATOM 0 H MET A 18 0.188 13.417 5.515 1.00 24.21 H new ATOM 0 HA MET A 18 -0.421 10.667 5.468 1.00 42.51 H new ATOM 0 HB2 MET A 18 -1.154 12.236 3.738 1.00 73.44 H new ATOM 0 HB3 MET A 18 0.504 12.607 3.309 1.00 73.44 H new ATOM 0 HG2 MET A 18 0.661 10.023 2.739 1.00 65.31 H new ATOM 0 HG3 MET A 18 -1.089 10.104 2.700 1.00 65.31 H new ATOM 0 HE1 MET A 18 1.325 13.233 0.525 1.00 1.31 H new ATOM 0 HE2 MET A 18 1.655 12.462 2.095 1.00 1.31 H new ATOM 0 HE3 MET A 18 2.228 11.701 0.592 1.00 1.31 H new ATOM 285 N GLU A 19 2.747 11.469 4.659 1.00 31.41 N ATOM 286 CA GLU A 19 4.105 10.908 4.505 1.00 40.12 C ATOM 287 C GLU A 19 4.589 10.345 5.849 1.00 22.30 C ATOM 288 O GLU A 19 5.244 9.308 5.875 1.00 64.22 O ATOM 289 CB GLU A 19 5.148 11.941 3.972 1.00 32.24 C ATOM 290 CG GLU A 19 6.508 11.290 3.591 1.00 1.15 C ATOM 291 CD GLU A 19 7.672 12.285 3.406 1.00 42.14 C ATOM 292 OE1 GLU A 19 7.654 13.072 2.432 1.00 14.34 O ATOM 293 OE2 GLU A 19 8.609 12.287 4.247 1.00 13.52 O ATOM 0 H GLU A 19 2.689 12.479 4.526 1.00 31.41 H new ATOM 0 HA GLU A 19 4.030 10.118 3.758 1.00 40.12 H new ATOM 0 HB2 GLU A 19 4.736 12.447 3.099 1.00 32.24 H new ATOM 0 HB3 GLU A 19 5.317 12.704 4.732 1.00 32.24 H new ATOM 0 HG2 GLU A 19 6.781 10.573 4.365 1.00 1.15 H new ATOM 0 HG3 GLU A 19 6.379 10.727 2.666 1.00 1.15 H new ATOM 300 N GLU A 20 4.241 11.047 6.955 1.00 54.31 N ATOM 301 CA GLU A 20 4.564 10.619 8.336 1.00 34.23 C ATOM 302 C GLU A 20 4.044 9.203 8.618 1.00 63.53 C ATOM 303 O GLU A 20 4.810 8.324 9.044 1.00 45.42 O ATOM 304 CB GLU A 20 3.989 11.622 9.393 1.00 24.32 C ATOM 305 CG GLU A 20 4.911 12.813 9.728 1.00 1.22 C ATOM 306 CD GLU A 20 6.127 12.400 10.582 1.00 2.01 C ATOM 307 OE1 GLU A 20 7.138 11.921 10.014 1.00 63.30 O ATOM 308 OE2 GLU A 20 6.064 12.537 11.828 1.00 44.42 O ATOM 0 H GLU A 20 3.728 11.927 6.913 1.00 54.31 H new ATOM 0 HA GLU A 20 5.651 10.611 8.423 1.00 34.23 H new ATOM 0 HB2 GLU A 20 3.039 12.009 9.025 1.00 24.32 H new ATOM 0 HB3 GLU A 20 3.777 11.076 10.312 1.00 24.32 H new ATOM 0 HG2 GLU A 20 5.260 13.269 8.802 1.00 1.22 H new ATOM 0 HG3 GLU A 20 4.339 13.572 10.261 1.00 1.22 H new ATOM 315 N LYS A 21 2.740 8.987 8.361 1.00 51.25 N ATOM 316 CA LYS A 21 2.096 7.694 8.653 1.00 52.10 C ATOM 317 C LYS A 21 2.575 6.628 7.661 1.00 13.43 C ATOM 318 O LYS A 21 2.797 5.493 8.055 1.00 31.24 O ATOM 319 CB LYS A 21 0.538 7.797 8.661 1.00 52.24 C ATOM 320 CG LYS A 21 -0.045 8.934 9.548 1.00 12.00 C ATOM 321 CD LYS A 21 0.714 9.115 10.887 1.00 71.21 C ATOM 322 CE LYS A 21 0.279 10.366 11.669 1.00 73.34 C ATOM 323 NZ LYS A 21 1.208 10.658 12.788 1.00 50.12 N ATOM 0 H LYS A 21 2.117 9.685 7.955 1.00 51.25 H new ATOM 0 HA LYS A 21 2.393 7.397 9.659 1.00 52.10 H new ATOM 0 HB2 LYS A 21 0.194 7.944 7.637 1.00 52.24 H new ATOM 0 HB3 LYS A 21 0.129 6.846 9.001 1.00 52.24 H new ATOM 0 HG2 LYS A 21 -0.016 9.871 8.992 1.00 12.00 H new ATOM 0 HG3 LYS A 21 -1.093 8.721 9.758 1.00 12.00 H new ATOM 0 HD2 LYS A 21 0.556 8.233 11.508 1.00 71.21 H new ATOM 0 HD3 LYS A 21 1.783 9.175 10.685 1.00 71.21 H new ATOM 0 HE2 LYS A 21 0.239 11.222 10.995 1.00 73.34 H new ATOM 0 HE3 LYS A 21 -0.728 10.220 12.059 1.00 73.34 H new ATOM 0 HZ1 LYS A 21 0.886 11.507 13.294 1.00 50.12 H new ATOM 0 HZ2 LYS A 21 1.227 9.851 13.443 1.00 50.12 H new ATOM 0 HZ3 LYS A 21 2.164 10.821 12.412 1.00 50.12 H new ATOM 337 N LEU A 22 2.786 7.035 6.386 1.00 35.23 N ATOM 338 CA LEU A 22 3.220 6.121 5.299 1.00 61.31 C ATOM 339 C LEU A 22 4.612 5.537 5.624 1.00 11.42 C ATOM 340 O LEU A 22 4.811 4.320 5.539 1.00 1.33 O ATOM 341 CB LEU A 22 3.217 6.860 3.906 1.00 3.32 C ATOM 342 CG LEU A 22 2.766 6.015 2.654 1.00 33.03 C ATOM 343 CD1 LEU A 22 2.693 6.889 1.378 1.00 41.02 C ATOM 344 CD2 LEU A 22 3.650 4.755 2.432 1.00 72.32 C ATOM 0 H LEU A 22 2.661 8.001 6.082 1.00 35.23 H new ATOM 0 HA LEU A 22 2.511 5.296 5.230 1.00 61.31 H new ATOM 0 HB2 LEU A 22 2.563 7.728 3.983 1.00 3.32 H new ATOM 0 HB3 LEU A 22 4.223 7.235 3.718 1.00 3.32 H new ATOM 0 HG LEU A 22 1.760 5.653 2.869 1.00 33.03 H new ATOM 0 HD11 LEU A 22 2.379 6.275 0.534 1.00 41.02 H new ATOM 0 HD12 LEU A 22 1.973 7.694 1.529 1.00 41.02 H new ATOM 0 HD13 LEU A 22 3.675 7.314 1.172 1.00 41.02 H new ATOM 0 HD21 LEU A 22 3.295 4.211 1.557 1.00 72.32 H new ATOM 0 HD22 LEU A 22 4.685 5.060 2.274 1.00 72.32 H new ATOM 0 HD23 LEU A 22 3.591 4.110 3.309 1.00 72.32 H new ATOM 356 N ARG A 23 5.554 6.416 6.034 1.00 24.11 N ATOM 357 CA ARG A 23 6.931 6.007 6.350 1.00 33.33 C ATOM 358 C ARG A 23 6.945 5.196 7.648 1.00 43.35 C ATOM 359 O ARG A 23 7.476 4.106 7.649 1.00 63.42 O ATOM 360 CB ARG A 23 7.926 7.215 6.417 1.00 1.03 C ATOM 361 CG ARG A 23 7.649 8.267 7.514 1.00 43.31 C ATOM 362 CD ARG A 23 8.531 9.522 7.394 1.00 14.13 C ATOM 363 NE ARG A 23 9.951 9.251 7.683 1.00 53.21 N ATOM 364 CZ ARG A 23 10.982 10.044 7.342 1.00 40.24 C ATOM 365 NH1 ARG A 23 10.797 11.174 6.656 1.00 44.04 N ATOM 366 NH2 ARG A 23 12.208 9.708 7.718 1.00 0.32 N ATOM 0 H ARG A 23 5.380 7.414 6.152 1.00 24.11 H new ATOM 0 HA ARG A 23 7.284 5.379 5.532 1.00 33.33 H new ATOM 0 HB2 ARG A 23 8.932 6.822 6.565 1.00 1.03 H new ATOM 0 HB3 ARG A 23 7.919 7.718 5.450 1.00 1.03 H new ATOM 0 HG2 ARG A 23 6.601 8.563 7.467 1.00 43.31 H new ATOM 0 HG3 ARG A 23 7.808 7.812 8.492 1.00 43.31 H new ATOM 0 HD2 ARG A 23 8.441 9.929 6.387 1.00 14.13 H new ATOM 0 HD3 ARG A 23 8.164 10.285 8.080 1.00 14.13 H new ATOM 0 HE ARG A 23 10.170 8.390 8.184 1.00 53.21 H new ATOM 0 HH11 ARG A 23 9.856 11.454 6.378 1.00 44.04 H new ATOM 0 HH12 ARG A 23 11.596 11.758 6.410 1.00 44.04 H new ATOM 0 HH21 ARG A 23 12.360 8.857 8.259 1.00 0.32 H new ATOM 0 HH22 ARG A 23 12.999 10.301 7.466 1.00 0.32 H new ATOM 380 N ASP A 24 6.276 5.703 8.717 1.00 52.20 N ATOM 381 CA ASP A 24 6.277 5.057 10.062 1.00 70.11 C ATOM 382 C ASP A 24 5.645 3.647 10.013 1.00 41.23 C ATOM 383 O ASP A 24 6.043 2.734 10.753 1.00 12.21 O ATOM 384 CB ASP A 24 5.537 5.959 11.084 1.00 5.24 C ATOM 385 CG ASP A 24 5.644 5.485 12.547 1.00 10.04 C ATOM 386 OD1 ASP A 24 6.783 5.420 13.073 1.00 75.04 O ATOM 387 OD2 ASP A 24 4.598 5.236 13.193 1.00 42.42 O ATOM 0 H ASP A 24 5.726 6.561 8.675 1.00 52.20 H new ATOM 0 HA ASP A 24 7.312 4.937 10.382 1.00 70.11 H new ATOM 0 HB2 ASP A 24 5.936 6.971 11.013 1.00 5.24 H new ATOM 0 HB3 ASP A 24 4.484 6.011 10.808 1.00 5.24 H new ATOM 392 N PHE A 25 4.673 3.500 9.109 1.00 71.33 N ATOM 393 CA PHE A 25 4.030 2.219 8.778 1.00 50.14 C ATOM 394 C PHE A 25 5.031 1.283 8.066 1.00 41.44 C ATOM 395 O PHE A 25 5.424 0.248 8.610 1.00 72.01 O ATOM 396 CB PHE A 25 2.807 2.539 7.880 1.00 72.34 C ATOM 397 CG PHE A 25 1.999 1.366 7.346 1.00 51.34 C ATOM 398 CD1 PHE A 25 1.219 0.588 8.201 1.00 22.05 C ATOM 399 CD2 PHE A 25 1.975 1.077 5.981 1.00 40.41 C ATOM 400 CE1 PHE A 25 0.442 -0.441 7.707 1.00 72.31 C ATOM 401 CE2 PHE A 25 1.204 0.046 5.495 1.00 65.54 C ATOM 402 CZ PHE A 25 0.436 -0.711 6.358 1.00 35.30 C ATOM 0 H PHE A 25 4.301 4.284 8.573 1.00 71.33 H new ATOM 0 HA PHE A 25 3.703 1.699 9.678 1.00 50.14 H new ATOM 0 HB2 PHE A 25 2.133 3.181 8.447 1.00 72.34 H new ATOM 0 HB3 PHE A 25 3.159 3.120 7.028 1.00 72.34 H new ATOM 0 HD1 PHE A 25 1.223 0.793 9.261 1.00 22.05 H new ATOM 0 HD2 PHE A 25 2.568 1.669 5.299 1.00 40.41 H new ATOM 0 HE1 PHE A 25 -0.161 -1.034 8.379 1.00 72.31 H new ATOM 0 HE2 PHE A 25 1.199 -0.172 4.437 1.00 65.54 H new ATOM 0 HZ PHE A 25 -0.171 -1.517 5.973 1.00 35.30 H new ATOM 412 N THR A 26 5.493 1.731 6.883 1.00 73.32 N ATOM 413 CA THR A 26 6.308 0.933 5.945 1.00 42.42 C ATOM 414 C THR A 26 7.674 0.499 6.552 1.00 4.44 C ATOM 415 O THR A 26 8.071 -0.659 6.398 1.00 15.43 O ATOM 416 CB THR A 26 6.510 1.749 4.611 1.00 3.40 C ATOM 417 OG1 THR A 26 5.248 1.890 3.931 1.00 42.31 O ATOM 418 CG2 THR A 26 7.538 1.121 3.650 1.00 53.34 C ATOM 0 H THR A 26 5.307 2.675 6.545 1.00 73.32 H new ATOM 0 HA THR A 26 5.770 0.009 5.733 1.00 42.42 H new ATOM 0 HB THR A 26 6.906 2.721 4.904 1.00 3.40 H new ATOM 0 HG1 THR A 26 4.744 2.631 4.328 1.00 42.31 H new ATOM 0 HG21 THR A 26 7.623 1.737 2.755 1.00 53.34 H new ATOM 0 HG22 THR A 26 8.508 1.061 4.143 1.00 53.34 H new ATOM 0 HG23 THR A 26 7.211 0.120 3.371 1.00 53.34 H new ATOM 426 N ARG A 27 8.329 1.412 7.309 1.00 52.32 N ATOM 427 CA ARG A 27 9.741 1.267 7.774 1.00 4.43 C ATOM 428 C ARG A 27 9.970 0.043 8.687 1.00 2.25 C ATOM 429 O ARG A 27 11.089 -0.479 8.762 1.00 21.33 O ATOM 430 CB ARG A 27 10.233 2.587 8.476 1.00 63.21 C ATOM 431 CG ARG A 27 9.403 3.092 9.709 1.00 52.12 C ATOM 432 CD ARG A 27 9.715 2.412 11.060 1.00 62.32 C ATOM 433 NE ARG A 27 11.092 2.675 11.511 1.00 43.41 N ATOM 434 CZ ARG A 27 11.606 2.289 12.685 1.00 73.34 C ATOM 435 NH1 ARG A 27 10.882 1.599 13.562 1.00 32.32 N ATOM 436 NH2 ARG A 27 12.856 2.604 12.979 1.00 73.23 N ATOM 0 H ARG A 27 7.893 2.280 7.620 1.00 52.32 H new ATOM 0 HA ARG A 27 10.338 1.091 6.879 1.00 4.43 H new ATOM 0 HB2 ARG A 27 11.262 2.434 8.800 1.00 63.21 H new ATOM 0 HB3 ARG A 27 10.248 3.382 7.730 1.00 63.21 H new ATOM 0 HG2 ARG A 27 9.568 4.164 9.818 1.00 52.12 H new ATOM 0 HG3 ARG A 27 8.344 2.953 9.491 1.00 52.12 H new ATOM 0 HD2 ARG A 27 9.013 2.768 11.814 1.00 62.32 H new ATOM 0 HD3 ARG A 27 9.564 1.337 10.967 1.00 62.32 H new ATOM 0 HE ARG A 27 11.702 3.192 10.879 1.00 43.41 H new ATOM 0 HH11 ARG A 27 9.916 1.354 13.345 1.00 32.32 H new ATOM 0 HH12 ARG A 27 11.293 1.315 14.451 1.00 32.32 H new ATOM 0 HH21 ARG A 27 13.418 3.136 12.314 1.00 73.23 H new ATOM 0 HH22 ARG A 27 13.258 2.315 13.871 1.00 73.23 H new ATOM 450 N ALA A 28 8.897 -0.397 9.364 1.00 64.00 N ATOM 451 CA ALA A 28 8.947 -1.465 10.385 1.00 31.41 C ATOM 452 C ALA A 28 9.247 -2.855 9.774 1.00 32.54 C ATOM 453 O ALA A 28 9.568 -3.803 10.499 1.00 33.12 O ATOM 454 CB ALA A 28 7.618 -1.486 11.164 1.00 53.43 C ATOM 0 H ALA A 28 7.960 -0.020 9.219 1.00 64.00 H new ATOM 0 HA ALA A 28 9.770 -1.243 11.064 1.00 31.41 H new ATOM 0 HB1 ALA A 28 7.651 -2.272 11.918 1.00 53.43 H new ATOM 0 HB2 ALA A 28 7.466 -0.523 11.651 1.00 53.43 H new ATOM 0 HB3 ALA A 28 6.795 -1.678 10.475 1.00 53.43 H new ATOM 460 N TYR A 29 9.140 -2.955 8.433 1.00 43.21 N ATOM 461 CA TYR A 29 9.321 -4.215 7.701 1.00 4.13 C ATOM 462 C TYR A 29 9.845 -3.938 6.279 1.00 35.40 C ATOM 463 O TYR A 29 10.895 -4.460 5.898 1.00 41.43 O ATOM 464 CB TYR A 29 8.001 -5.054 7.693 1.00 42.50 C ATOM 465 CG TYR A 29 6.720 -4.342 7.197 1.00 23.31 C ATOM 466 CD1 TYR A 29 6.229 -3.194 7.833 1.00 0.22 C ATOM 467 CD2 TYR A 29 5.979 -4.840 6.122 1.00 70.54 C ATOM 468 CE1 TYR A 29 5.075 -2.580 7.414 1.00 3.52 C ATOM 469 CE2 TYR A 29 4.817 -4.226 5.711 1.00 11.10 C ATOM 470 CZ TYR A 29 4.370 -3.097 6.357 1.00 71.33 C ATOM 471 OH TYR A 29 3.207 -2.493 5.950 1.00 3.01 O ATOM 0 H TYR A 29 8.925 -2.160 7.831 1.00 43.21 H new ATOM 0 HA TYR A 29 10.072 -4.815 8.215 1.00 4.13 H new ATOM 0 HB2 TYR A 29 8.162 -5.934 7.070 1.00 42.50 H new ATOM 0 HB3 TYR A 29 7.820 -5.410 8.707 1.00 42.50 H new ATOM 0 HD1 TYR A 29 6.771 -2.783 8.672 1.00 0.22 H new ATOM 0 HD2 TYR A 29 6.324 -5.723 5.604 1.00 70.54 H new ATOM 0 HE1 TYR A 29 4.723 -1.691 7.916 1.00 3.52 H new ATOM 0 HE2 TYR A 29 4.257 -4.631 4.881 1.00 11.10 H new ATOM 0 HH TYR A 29 3.244 -1.536 6.160 1.00 3.01 H new ATOM 481 N GLU A 30 9.118 -3.089 5.522 1.00 71.43 N ATOM 482 CA GLU A 30 9.439 -2.739 4.109 1.00 44.53 C ATOM 483 C GLU A 30 9.407 -4.006 3.191 1.00 52.43 C ATOM 484 O GLU A 30 8.991 -5.080 3.645 1.00 13.54 O ATOM 485 CB GLU A 30 10.819 -1.998 4.022 1.00 43.52 C ATOM 486 CG GLU A 30 10.874 -0.623 4.708 1.00 70.12 C ATOM 487 CD GLU A 30 12.265 0.025 4.623 1.00 72.42 C ATOM 488 OE1 GLU A 30 12.610 0.570 3.548 1.00 24.51 O ATOM 489 OE2 GLU A 30 13.024 -0.012 5.616 1.00 15.14 O ATOM 0 H GLU A 30 8.283 -2.619 5.872 1.00 71.43 H new ATOM 0 HA GLU A 30 8.671 -2.057 3.744 1.00 44.53 H new ATOM 0 HB2 GLU A 30 11.584 -2.637 4.464 1.00 43.52 H new ATOM 0 HB3 GLU A 30 11.079 -1.871 2.971 1.00 43.52 H new ATOM 0 HG2 GLU A 30 10.140 0.038 4.247 1.00 70.12 H new ATOM 0 HG3 GLU A 30 10.591 -0.732 5.755 1.00 70.12 H new ATOM 496 N PRO A 31 9.739 -3.898 1.846 1.00 51.03 N ATOM 497 CA PRO A 31 10.199 -5.073 1.058 1.00 42.12 C ATOM 498 C PRO A 31 11.431 -5.775 1.711 1.00 13.32 C ATOM 499 O PRO A 31 11.648 -6.968 1.496 1.00 45.41 O ATOM 500 CB PRO A 31 10.544 -4.460 -0.343 1.00 64.30 C ATOM 501 CG PRO A 31 10.581 -2.974 -0.126 1.00 11.01 C ATOM 502 CD PRO A 31 9.560 -2.714 0.956 1.00 52.11 C ATOM 0 HA PRO A 31 9.446 -5.859 1.000 1.00 42.12 H new ATOM 0 HB2 PRO A 31 11.503 -4.828 -0.708 1.00 64.30 H new ATOM 0 HB3 PRO A 31 9.794 -4.731 -1.086 1.00 64.30 H new ATOM 0 HG2 PRO A 31 11.574 -2.644 0.180 1.00 11.01 H new ATOM 0 HG3 PRO A 31 10.334 -2.435 -1.040 1.00 11.01 H new ATOM 0 HD2 PRO A 31 9.751 -1.778 1.480 1.00 52.11 H new ATOM 0 HD3 PRO A 31 8.548 -2.654 0.556 1.00 52.11 H new ATOM 510 N ASP A 32 12.187 -5.003 2.531 1.00 15.42 N ATOM 511 CA ASP A 32 13.472 -5.411 3.164 1.00 73.31 C ATOM 512 C ASP A 32 13.365 -6.697 4.039 1.00 63.44 C ATOM 513 O ASP A 32 13.836 -7.767 3.632 1.00 4.24 O ATOM 514 CB ASP A 32 14.016 -4.227 4.023 1.00 42.24 C ATOM 515 CG ASP A 32 15.431 -4.466 4.609 1.00 22.34 C ATOM 516 OD1 ASP A 32 16.427 -4.115 3.935 1.00 21.02 O ATOM 517 OD2 ASP A 32 15.552 -4.992 5.740 1.00 23.22 O ATOM 0 H ASP A 32 11.914 -4.052 2.779 1.00 15.42 H new ATOM 0 HA ASP A 32 14.159 -5.656 2.354 1.00 73.31 H new ATOM 0 HB2 ASP A 32 14.036 -3.327 3.409 1.00 42.24 H new ATOM 0 HB3 ASP A 32 13.322 -4.038 4.842 1.00 42.24 H new ATOM 522 N SER A 33 12.734 -6.594 5.230 1.00 64.04 N ATOM 523 CA SER A 33 12.762 -7.653 6.259 1.00 55.21 C ATOM 524 C SER A 33 11.359 -7.857 6.856 1.00 70.51 C ATOM 525 O SER A 33 10.889 -7.036 7.652 1.00 61.21 O ATOM 526 CB SER A 33 13.776 -7.290 7.378 1.00 51.30 C ATOM 527 OG SER A 33 14.004 -8.380 8.259 1.00 43.04 O ATOM 0 H SER A 33 12.192 -5.774 5.503 1.00 64.04 H new ATOM 0 HA SER A 33 13.079 -8.585 5.790 1.00 55.21 H new ATOM 0 HB2 SER A 33 14.720 -6.984 6.927 1.00 51.30 H new ATOM 0 HB3 SER A 33 13.402 -6.437 7.945 1.00 51.30 H new ATOM 0 HG SER A 33 14.648 -8.114 8.948 1.00 43.04 H new ATOM 533 N VAL A 34 10.700 -8.953 6.460 1.00 61.41 N ATOM 534 CA VAL A 34 9.379 -9.350 6.973 1.00 74.25 C ATOM 535 C VAL A 34 9.346 -10.892 7.057 1.00 53.34 C ATOM 536 O VAL A 34 10.122 -11.559 6.349 1.00 41.23 O ATOM 537 CB VAL A 34 8.216 -8.818 6.030 1.00 1.41 C ATOM 538 CG1 VAL A 34 8.112 -9.632 4.708 1.00 31.23 C ATOM 539 CG2 VAL A 34 6.860 -8.762 6.777 1.00 32.41 C ATOM 0 H VAL A 34 11.073 -9.599 5.765 1.00 61.41 H new ATOM 0 HA VAL A 34 9.219 -8.913 7.959 1.00 74.25 H new ATOM 0 HB VAL A 34 8.477 -7.798 5.749 1.00 1.41 H new ATOM 0 HG11 VAL A 34 7.303 -9.231 4.097 1.00 31.23 H new ATOM 0 HG12 VAL A 34 9.052 -9.558 4.160 1.00 31.23 H new ATOM 0 HG13 VAL A 34 7.908 -10.677 4.940 1.00 31.23 H new ATOM 0 HG21 VAL A 34 6.088 -8.394 6.102 1.00 32.41 H new ATOM 0 HG22 VAL A 34 6.594 -9.761 7.123 1.00 32.41 H new ATOM 0 HG23 VAL A 34 6.943 -8.092 7.633 1.00 32.41 H new ATOM 549 N LEU A 35 8.511 -11.463 7.941 1.00 4.44 N ATOM 550 CA LEU A 35 8.219 -12.909 7.897 1.00 23.10 C ATOM 551 C LEU A 35 7.333 -13.195 6.661 1.00 2.43 C ATOM 552 O LEU A 35 6.305 -12.522 6.487 1.00 4.31 O ATOM 553 CB LEU A 35 7.534 -13.409 9.206 1.00 63.55 C ATOM 554 CG LEU A 35 8.458 -13.561 10.464 1.00 61.41 C ATOM 555 CD1 LEU A 35 7.670 -14.135 11.673 1.00 63.31 C ATOM 556 CD2 LEU A 35 9.703 -14.432 10.143 1.00 42.04 C ATOM 0 H LEU A 35 8.032 -10.956 8.685 1.00 4.44 H new ATOM 0 HA LEU A 35 9.158 -13.456 7.816 1.00 23.10 H new ATOM 0 HB2 LEU A 35 6.729 -12.718 9.455 1.00 63.55 H new ATOM 0 HB3 LEU A 35 7.073 -14.375 9.002 1.00 63.55 H new ATOM 0 HG LEU A 35 8.810 -12.567 10.739 1.00 61.41 H new ATOM 0 HD11 LEU A 35 8.337 -14.229 12.530 1.00 63.31 H new ATOM 0 HD12 LEU A 35 6.849 -13.464 11.924 1.00 63.31 H new ATOM 0 HD13 LEU A 35 7.271 -15.116 11.415 1.00 63.31 H new ATOM 0 HD21 LEU A 35 10.325 -14.520 11.034 1.00 42.04 H new ATOM 0 HD22 LEU A 35 9.381 -15.424 9.826 1.00 42.04 H new ATOM 0 HD23 LEU A 35 10.278 -13.964 9.344 1.00 42.04 H new ATOM 568 N PRO A 36 7.734 -14.169 5.771 1.00 11.11 N ATOM 569 CA PRO A 36 6.991 -14.476 4.524 1.00 75.15 C ATOM 570 C PRO A 36 5.570 -15.020 4.812 1.00 30.54 C ATOM 571 O PRO A 36 5.395 -15.932 5.634 1.00 72.41 O ATOM 572 CB PRO A 36 7.890 -15.530 3.815 1.00 50.35 C ATOM 573 CG PRO A 36 8.704 -16.147 4.911 1.00 25.51 C ATOM 574 CD PRO A 36 8.939 -15.038 5.913 1.00 53.02 C ATOM 0 HA PRO A 36 6.818 -13.592 3.910 1.00 75.15 H new ATOM 0 HB2 PRO A 36 7.288 -16.279 3.301 1.00 50.35 H new ATOM 0 HB3 PRO A 36 8.528 -15.063 3.065 1.00 50.35 H new ATOM 0 HG2 PRO A 36 8.176 -16.984 5.368 1.00 25.51 H new ATOM 0 HG3 PRO A 36 9.647 -16.536 4.528 1.00 25.51 H new ATOM 0 HD2 PRO A 36 9.034 -15.428 6.926 1.00 53.02 H new ATOM 0 HD3 PRO A 36 9.856 -14.490 5.695 1.00 53.02 H new ATOM 582 N LEU A 37 4.574 -14.398 4.159 1.00 45.14 N ATOM 583 CA LEU A 37 3.162 -14.819 4.204 1.00 60.42 C ATOM 584 C LEU A 37 3.031 -16.220 3.586 1.00 14.43 C ATOM 585 O LEU A 37 2.681 -17.192 4.260 1.00 14.10 O ATOM 586 CB LEU A 37 2.303 -13.788 3.412 1.00 71.14 C ATOM 587 CG LEU A 37 2.445 -12.305 3.870 1.00 63.24 C ATOM 588 CD1 LEU A 37 1.725 -11.339 2.893 1.00 74.02 C ATOM 589 CD2 LEU A 37 1.953 -12.136 5.332 1.00 53.24 C ATOM 0 H LEU A 37 4.729 -13.576 3.576 1.00 45.14 H new ATOM 0 HA LEU A 37 2.810 -14.858 5.235 1.00 60.42 H new ATOM 0 HB2 LEU A 37 2.571 -13.852 2.357 1.00 71.14 H new ATOM 0 HB3 LEU A 37 1.255 -14.076 3.492 1.00 71.14 H new ATOM 0 HG LEU A 37 3.502 -12.039 3.848 1.00 63.24 H new ATOM 0 HD11 LEU A 37 1.844 -10.313 3.242 1.00 74.02 H new ATOM 0 HD12 LEU A 37 2.160 -11.437 1.898 1.00 74.02 H new ATOM 0 HD13 LEU A 37 0.665 -11.588 2.851 1.00 74.02 H new ATOM 0 HD21 LEU A 37 2.060 -11.094 5.634 1.00 53.24 H new ATOM 0 HD22 LEU A 37 0.905 -12.427 5.399 1.00 53.24 H new ATOM 0 HD23 LEU A 37 2.548 -12.768 5.991 1.00 53.24 H new ATOM 601 N ALA A 38 3.367 -16.281 2.290 1.00 74.13 N ATOM 602 CA ALA A 38 3.459 -17.522 1.515 1.00 43.44 C ATOM 603 C ALA A 38 4.443 -17.302 0.351 1.00 53.10 C ATOM 604 O ALA A 38 4.747 -16.149 -0.010 1.00 72.30 O ATOM 605 CB ALA A 38 2.079 -17.966 1.008 1.00 54.32 C ATOM 0 H ALA A 38 3.587 -15.450 1.741 1.00 74.13 H new ATOM 0 HA ALA A 38 3.828 -18.324 2.154 1.00 43.44 H new ATOM 0 HB1 ALA A 38 2.181 -18.889 0.437 1.00 54.32 H new ATOM 0 HB2 ALA A 38 1.417 -18.136 1.857 1.00 54.32 H new ATOM 0 HB3 ALA A 38 1.659 -17.189 0.370 1.00 54.32 H new ATOM 611 N ASP A 39 4.903 -18.405 -0.256 1.00 61.11 N ATOM 612 CA ASP A 39 6.024 -18.378 -1.214 1.00 5.31 C ATOM 613 C ASP A 39 5.583 -17.903 -2.608 1.00 42.34 C ATOM 614 O ASP A 39 4.427 -18.098 -3.005 1.00 12.35 O ATOM 615 CB ASP A 39 6.665 -19.784 -1.297 1.00 61.42 C ATOM 616 CG ASP A 39 7.973 -19.814 -2.108 1.00 63.31 C ATOM 617 OD1 ASP A 39 8.973 -19.218 -1.652 1.00 62.51 O ATOM 618 OD2 ASP A 39 8.012 -20.434 -3.191 1.00 70.41 O ATOM 0 H ASP A 39 4.514 -19.335 -0.101 1.00 61.11 H new ATOM 0 HA ASP A 39 6.760 -17.660 -0.853 1.00 5.31 H new ATOM 0 HB2 ASP A 39 6.864 -20.144 -0.288 1.00 61.42 H new ATOM 0 HB3 ASP A 39 5.951 -20.474 -1.747 1.00 61.42 H new ATOM 623 N GLY A 40 6.525 -17.261 -3.320 1.00 12.35 N ATOM 624 CA GLY A 40 6.331 -16.861 -4.708 1.00 51.03 C ATOM 625 C GLY A 40 5.318 -15.730 -4.878 1.00 64.21 C ATOM 626 O GLY A 40 5.700 -14.561 -4.882 1.00 73.03 O ATOM 0 H GLY A 40 7.438 -17.009 -2.942 1.00 12.35 H new ATOM 0 HA2 GLY A 40 7.288 -16.547 -5.125 1.00 51.03 H new ATOM 0 HA3 GLY A 40 6.000 -17.725 -5.284 1.00 51.03 H new ATOM 630 N VAL A 41 4.016 -16.090 -4.958 1.00 53.25 N ATOM 631 CA VAL A 41 2.929 -15.157 -5.337 1.00 73.33 C ATOM 632 C VAL A 41 2.694 -14.074 -4.257 1.00 44.01 C ATOM 633 O VAL A 41 2.715 -12.892 -4.564 1.00 71.31 O ATOM 634 CB VAL A 41 1.570 -15.913 -5.617 1.00 23.05 C ATOM 635 CG1 VAL A 41 0.505 -14.969 -6.247 1.00 4.10 C ATOM 636 CG2 VAL A 41 1.786 -17.175 -6.491 1.00 44.54 C ATOM 0 H VAL A 41 3.689 -17.036 -4.762 1.00 53.25 H new ATOM 0 HA VAL A 41 3.259 -14.674 -6.257 1.00 73.33 H new ATOM 0 HB VAL A 41 1.186 -16.243 -4.652 1.00 23.05 H new ATOM 0 HG11 VAL A 41 -0.415 -15.526 -6.425 1.00 4.10 H new ATOM 0 HG12 VAL A 41 0.303 -14.142 -5.566 1.00 4.10 H new ATOM 0 HG13 VAL A 41 0.880 -14.577 -7.192 1.00 4.10 H new ATOM 0 HG21 VAL A 41 0.829 -17.668 -6.662 1.00 44.54 H new ATOM 0 HG22 VAL A 41 2.221 -16.885 -7.448 1.00 44.54 H new ATOM 0 HG23 VAL A 41 2.461 -17.861 -5.979 1.00 44.54 H new ATOM 646 N LEU A 42 2.468 -14.498 -2.995 1.00 71.22 N ATOM 647 CA LEU A 42 2.175 -13.571 -1.865 1.00 63.35 C ATOM 648 C LEU A 42 3.429 -12.790 -1.408 1.00 53.34 C ATOM 649 O LEU A 42 3.310 -11.708 -0.820 1.00 74.41 O ATOM 650 CB LEU A 42 1.493 -14.342 -0.686 1.00 34.01 C ATOM 651 CG LEU A 42 -0.045 -14.618 -0.869 1.00 22.43 C ATOM 652 CD1 LEU A 42 -0.607 -15.542 0.234 1.00 13.53 C ATOM 653 CD2 LEU A 42 -0.848 -13.290 -0.923 1.00 64.33 C ATOM 0 H LEU A 42 2.482 -15.482 -2.726 1.00 71.22 H new ATOM 0 HA LEU A 42 1.471 -12.820 -2.223 1.00 63.35 H new ATOM 0 HB2 LEU A 42 2.004 -15.296 -0.553 1.00 34.01 H new ATOM 0 HB3 LEU A 42 1.637 -13.772 0.232 1.00 34.01 H new ATOM 0 HG LEU A 42 -0.161 -15.136 -1.821 1.00 22.43 H new ATOM 0 HD11 LEU A 42 -1.672 -15.704 0.066 1.00 13.53 H new ATOM 0 HD12 LEU A 42 -0.086 -16.499 0.207 1.00 13.53 H new ATOM 0 HD13 LEU A 42 -0.460 -15.076 1.208 1.00 13.53 H new ATOM 0 HD21 LEU A 42 -1.908 -13.511 -1.050 1.00 64.33 H new ATOM 0 HD22 LEU A 42 -0.701 -12.738 0.005 1.00 64.33 H new ATOM 0 HD23 LEU A 42 -0.500 -12.688 -1.762 1.00 64.33 H new ATOM 665 N SER A 43 4.624 -13.341 -1.685 1.00 32.22 N ATOM 666 CA SER A 43 5.901 -12.631 -1.471 1.00 43.20 C ATOM 667 C SER A 43 6.101 -11.556 -2.570 1.00 73.24 C ATOM 668 O SER A 43 6.648 -10.470 -2.313 1.00 23.42 O ATOM 669 CB SER A 43 7.066 -13.650 -1.446 1.00 31.53 C ATOM 670 OG SER A 43 8.305 -13.023 -1.145 1.00 11.02 O ATOM 0 H SER A 43 4.734 -14.283 -2.060 1.00 32.22 H new ATOM 0 HA SER A 43 5.882 -12.119 -0.509 1.00 43.20 H new ATOM 0 HB2 SER A 43 6.859 -14.422 -0.705 1.00 31.53 H new ATOM 0 HB3 SER A 43 7.135 -14.148 -2.413 1.00 31.53 H new ATOM 0 HG SER A 43 9.018 -13.695 -1.136 1.00 11.02 H new ATOM 676 N PHE A 44 5.613 -11.863 -3.788 1.00 33.00 N ATOM 677 CA PHE A 44 5.578 -10.916 -4.917 1.00 23.22 C ATOM 678 C PHE A 44 4.521 -9.831 -4.654 1.00 50.33 C ATOM 679 O PHE A 44 4.726 -8.691 -4.997 1.00 52.31 O ATOM 680 CB PHE A 44 5.279 -11.664 -6.246 1.00 55.34 C ATOM 681 CG PHE A 44 5.186 -10.769 -7.494 1.00 14.15 C ATOM 682 CD1 PHE A 44 6.341 -10.277 -8.109 1.00 32.20 C ATOM 683 CD2 PHE A 44 3.950 -10.430 -8.061 1.00 2.44 C ATOM 684 CE1 PHE A 44 6.266 -9.488 -9.243 1.00 50.44 C ATOM 685 CE2 PHE A 44 3.881 -9.640 -9.192 1.00 53.12 C ATOM 686 CZ PHE A 44 5.037 -9.169 -9.786 1.00 51.11 C ATOM 0 H PHE A 44 5.230 -12.780 -4.016 1.00 33.00 H new ATOM 0 HA PHE A 44 6.554 -10.439 -5.010 1.00 23.22 H new ATOM 0 HB2 PHE A 44 6.059 -12.408 -6.409 1.00 55.34 H new ATOM 0 HB3 PHE A 44 4.340 -12.206 -6.136 1.00 55.34 H new ATOM 0 HD1 PHE A 44 7.308 -10.517 -7.692 1.00 32.20 H new ATOM 0 HD2 PHE A 44 3.039 -10.791 -7.607 1.00 2.44 H new ATOM 0 HE1 PHE A 44 7.171 -9.121 -9.705 1.00 50.44 H new ATOM 0 HE2 PHE A 44 2.919 -9.389 -9.614 1.00 53.12 H new ATOM 0 HZ PHE A 44 4.979 -8.554 -10.672 1.00 51.11 H new ATOM 696 N ILE A 45 3.393 -10.208 -4.036 1.00 31.31 N ATOM 697 CA ILE A 45 2.331 -9.261 -3.633 1.00 23.35 C ATOM 698 C ILE A 45 2.845 -8.370 -2.483 1.00 35.11 C ATOM 699 O ILE A 45 2.511 -7.190 -2.421 1.00 55.44 O ATOM 700 CB ILE A 45 0.998 -10.030 -3.242 1.00 20.22 C ATOM 701 CG1 ILE A 45 0.368 -10.701 -4.516 1.00 10.44 C ATOM 702 CG2 ILE A 45 -0.040 -9.121 -2.522 1.00 71.51 C ATOM 703 CD1 ILE A 45 -0.872 -11.551 -4.258 1.00 60.24 C ATOM 0 H ILE A 45 3.186 -11.178 -3.799 1.00 31.31 H new ATOM 0 HA ILE A 45 2.082 -8.618 -4.478 1.00 23.35 H new ATOM 0 HB ILE A 45 1.273 -10.804 -2.525 1.00 20.22 H new ATOM 0 HG12 ILE A 45 0.110 -9.918 -5.229 1.00 10.44 H new ATOM 0 HG13 ILE A 45 1.125 -11.326 -4.989 1.00 10.44 H new ATOM 0 HG21 ILE A 45 -0.929 -9.704 -2.281 1.00 71.51 H new ATOM 0 HG22 ILE A 45 0.396 -8.727 -1.604 1.00 71.51 H new ATOM 0 HG23 ILE A 45 -0.315 -8.294 -3.177 1.00 71.51 H new ATOM 0 HD11 ILE A 45 -1.229 -11.969 -5.199 1.00 60.24 H new ATOM 0 HD12 ILE A 45 -0.622 -12.361 -3.573 1.00 60.24 H new ATOM 0 HD13 ILE A 45 -1.653 -10.931 -3.817 1.00 60.24 H new ATOM 715 N HIS A 46 3.693 -8.938 -1.595 1.00 61.30 N ATOM 716 CA HIS A 46 4.408 -8.148 -0.565 1.00 43.24 C ATOM 717 C HIS A 46 5.297 -7.081 -1.237 1.00 32.43 C ATOM 718 O HIS A 46 5.285 -5.895 -0.820 1.00 31.33 O ATOM 719 CB HIS A 46 5.261 -9.058 0.360 1.00 54.34 C ATOM 720 CG HIS A 46 6.077 -8.287 1.368 1.00 1.31 C ATOM 721 ND1 HIS A 46 5.511 -7.629 2.437 1.00 63.22 N ATOM 722 CD2 HIS A 46 7.407 -8.005 1.419 1.00 34.21 C ATOM 723 CE1 HIS A 46 6.441 -6.962 3.086 1.00 53.45 C ATOM 724 NE2 HIS A 46 7.602 -7.178 2.495 1.00 13.12 N ATOM 0 H HIS A 46 3.899 -9.937 -1.570 1.00 61.30 H new ATOM 0 HA HIS A 46 3.662 -7.652 0.056 1.00 43.24 H new ATOM 0 HB2 HIS A 46 4.602 -9.748 0.888 1.00 54.34 H new ATOM 0 HB3 HIS A 46 5.930 -9.662 -0.253 1.00 54.34 H new ATOM 0 HD1 HIS A 46 4.523 -7.655 2.687 1.00 63.22 H new ATOM 0 HD2 HIS A 46 8.166 -8.365 0.740 1.00 34.21 H new ATOM 0 HE1 HIS A 46 6.282 -6.342 3.956 1.00 53.45 H new ATOM 0 HE2 HIS A 46 8.499 -6.792 2.791 1.00 13.12 H new ATOM 733 N HIS A 47 6.059 -7.532 -2.279 1.00 60.44 N ATOM 734 CA HIS A 47 6.837 -6.629 -3.157 1.00 10.31 C ATOM 735 C HIS A 47 5.931 -5.493 -3.630 1.00 14.22 C ATOM 736 O HIS A 47 6.118 -4.369 -3.223 1.00 72.03 O ATOM 737 CB HIS A 47 7.443 -7.361 -4.405 1.00 2.43 C ATOM 738 CG HIS A 47 8.824 -7.938 -4.236 1.00 3.44 C ATOM 739 ND1 HIS A 47 9.969 -7.168 -4.319 1.00 72.55 N ATOM 740 CD2 HIS A 47 9.243 -9.211 -4.040 1.00 71.05 C ATOM 741 CE1 HIS A 47 11.026 -7.944 -4.183 1.00 42.03 C ATOM 742 NE2 HIS A 47 10.617 -9.190 -4.014 1.00 0.10 N ATOM 0 H HIS A 47 6.145 -8.518 -2.524 1.00 60.44 H new ATOM 0 HA HIS A 47 7.674 -6.248 -2.572 1.00 10.31 H new ATOM 0 HB2 HIS A 47 6.768 -8.168 -4.689 1.00 2.43 H new ATOM 0 HB3 HIS A 47 7.466 -6.657 -5.237 1.00 2.43 H new ATOM 0 HD1 HIS A 47 9.992 -6.158 -4.463 1.00 72.55 H new ATOM 0 HD2 HIS A 47 8.614 -10.081 -3.925 1.00 71.05 H new ATOM 0 HE1 HIS A 47 12.055 -7.616 -4.206 1.00 42.03 H new ATOM 751 N GLN A 48 4.888 -5.844 -4.393 1.00 64.41 N ATOM 752 CA GLN A 48 4.032 -4.870 -5.075 1.00 0.31 C ATOM 753 C GLN A 48 3.457 -3.843 -4.090 1.00 20.01 C ATOM 754 O GLN A 48 3.735 -2.671 -4.221 1.00 51.24 O ATOM 755 CB GLN A 48 2.901 -5.575 -5.868 1.00 53.43 C ATOM 756 CG GLN A 48 3.374 -6.652 -6.869 1.00 73.31 C ATOM 757 CD GLN A 48 4.513 -6.198 -7.786 1.00 71.10 C ATOM 758 OE1 GLN A 48 5.699 -6.374 -7.478 1.00 32.12 O ATOM 759 NE2 GLN A 48 4.163 -5.613 -8.917 1.00 40.15 N ATOM 0 H GLN A 48 4.615 -6.814 -4.554 1.00 64.41 H new ATOM 0 HA GLN A 48 4.655 -4.331 -5.789 1.00 0.31 H new ATOM 0 HB2 GLN A 48 2.215 -6.037 -5.158 1.00 53.43 H new ATOM 0 HB3 GLN A 48 2.335 -4.819 -6.412 1.00 53.43 H new ATOM 0 HG2 GLN A 48 3.699 -7.532 -6.313 1.00 73.31 H new ATOM 0 HG3 GLN A 48 2.527 -6.958 -7.484 1.00 73.31 H new ATOM 0 HE21 GLN A 48 3.176 -5.484 -9.140 1.00 40.15 H new ATOM 0 HE22 GLN A 48 4.880 -5.291 -9.567 1.00 40.15 H new ATOM 768 N ILE A 49 2.750 -4.305 -3.049 1.00 15.13 N ATOM 769 CA ILE A 49 2.068 -3.411 -2.093 1.00 14.13 C ATOM 770 C ILE A 49 3.068 -2.477 -1.363 1.00 31.13 C ATOM 771 O ILE A 49 2.938 -1.248 -1.438 1.00 74.34 O ATOM 772 CB ILE A 49 1.211 -4.202 -1.028 1.00 42.50 C ATOM 773 CG1 ILE A 49 0.155 -5.126 -1.718 1.00 2.24 C ATOM 774 CG2 ILE A 49 0.511 -3.231 -0.043 1.00 11.00 C ATOM 775 CD1 ILE A 49 -0.746 -5.886 -0.757 1.00 3.23 C ATOM 0 H ILE A 49 2.633 -5.297 -2.844 1.00 15.13 H new ATOM 0 HA ILE A 49 1.389 -2.804 -2.692 1.00 14.13 H new ATOM 0 HB ILE A 49 1.898 -4.833 -0.463 1.00 42.50 H new ATOM 0 HG12 ILE A 49 -0.467 -4.517 -2.374 1.00 2.24 H new ATOM 0 HG13 ILE A 49 0.678 -5.844 -2.350 1.00 2.24 H new ATOM 0 HG21 ILE A 49 -0.072 -3.803 0.679 1.00 11.00 H new ATOM 0 HG22 ILE A 49 1.262 -2.642 0.483 1.00 11.00 H new ATOM 0 HG23 ILE A 49 -0.150 -2.565 -0.597 1.00 11.00 H new ATOM 0 HD11 ILE A 49 -1.446 -6.500 -1.323 1.00 3.23 H new ATOM 0 HD12 ILE A 49 -0.138 -6.525 -0.117 1.00 3.23 H new ATOM 0 HD13 ILE A 49 -1.301 -5.178 -0.141 1.00 3.23 H new ATOM 787 N ILE A 50 4.091 -3.057 -0.688 1.00 74.12 N ATOM 788 CA ILE A 50 4.933 -2.267 0.253 1.00 41.24 C ATOM 789 C ILE A 50 6.067 -1.504 -0.485 1.00 44.33 C ATOM 790 O ILE A 50 6.557 -0.469 -0.004 1.00 0.23 O ATOM 791 CB ILE A 50 5.510 -3.164 1.415 1.00 34.41 C ATOM 792 CG1 ILE A 50 4.389 -4.059 2.032 1.00 43.00 C ATOM 793 CG2 ILE A 50 6.168 -2.300 2.532 1.00 11.50 C ATOM 794 CD1 ILE A 50 3.244 -3.298 2.682 1.00 14.24 C ATOM 0 H ILE A 50 4.351 -4.040 -0.771 1.00 74.12 H new ATOM 0 HA ILE A 50 4.282 -1.521 0.708 1.00 41.24 H new ATOM 0 HB ILE A 50 6.278 -3.803 0.979 1.00 34.41 H new ATOM 0 HG12 ILE A 50 3.982 -4.698 1.248 1.00 43.00 H new ATOM 0 HG13 ILE A 50 4.838 -4.716 2.777 1.00 43.00 H new ATOM 0 HG21 ILE A 50 6.554 -2.952 3.316 1.00 11.50 H new ATOM 0 HG22 ILE A 50 6.986 -1.718 2.108 1.00 11.50 H new ATOM 0 HG23 ILE A 50 5.424 -1.625 2.955 1.00 11.50 H new ATOM 0 HD11 ILE A 50 2.517 -4.005 3.081 1.00 14.24 H new ATOM 0 HD12 ILE A 50 3.631 -2.680 3.492 1.00 14.24 H new ATOM 0 HD13 ILE A 50 2.762 -2.662 1.940 1.00 14.24 H new ATOM 806 N GLU A 51 6.451 -1.991 -1.673 1.00 53.11 N ATOM 807 CA GLU A 51 7.487 -1.333 -2.509 1.00 54.04 C ATOM 808 C GLU A 51 6.825 -0.251 -3.392 1.00 20.23 C ATOM 809 O GLU A 51 7.496 0.699 -3.802 1.00 74.14 O ATOM 810 CB GLU A 51 8.263 -2.388 -3.347 1.00 15.31 C ATOM 811 CG GLU A 51 9.567 -1.911 -4.019 1.00 51.32 C ATOM 812 CD GLU A 51 10.299 -3.057 -4.749 1.00 35.52 C ATOM 813 OE1 GLU A 51 10.820 -3.972 -4.066 1.00 72.13 O ATOM 814 OE2 GLU A 51 10.345 -3.059 -6.003 1.00 4.34 O ATOM 0 H GLU A 51 6.064 -2.840 -2.085 1.00 53.11 H new ATOM 0 HA GLU A 51 8.219 -0.840 -1.869 1.00 54.04 H new ATOM 0 HB2 GLU A 51 8.502 -3.230 -2.698 1.00 15.31 H new ATOM 0 HB3 GLU A 51 7.597 -2.764 -4.124 1.00 15.31 H new ATOM 0 HG2 GLU A 51 9.338 -1.117 -4.730 1.00 51.32 H new ATOM 0 HG3 GLU A 51 10.227 -1.483 -3.265 1.00 51.32 H new ATOM 821 N LEU A 52 5.504 -0.411 -3.683 1.00 53.23 N ATOM 822 CA LEU A 52 4.660 0.687 -4.237 1.00 63.44 C ATOM 823 C LEU A 52 4.217 1.641 -3.122 1.00 43.12 C ATOM 824 O LEU A 52 3.765 2.736 -3.417 1.00 42.51 O ATOM 825 CB LEU A 52 3.415 0.155 -5.006 1.00 15.12 C ATOM 826 CG LEU A 52 3.683 -0.456 -6.419 1.00 32.14 C ATOM 827 CD1 LEU A 52 2.405 -1.118 -6.998 1.00 31.24 C ATOM 828 CD2 LEU A 52 4.254 0.613 -7.381 1.00 31.02 C ATOM 0 H LEU A 52 5.001 -1.288 -3.544 1.00 53.23 H new ATOM 0 HA LEU A 52 5.279 1.226 -4.954 1.00 63.44 H new ATOM 0 HB2 LEU A 52 2.932 -0.604 -4.391 1.00 15.12 H new ATOM 0 HB3 LEU A 52 2.705 0.975 -5.117 1.00 15.12 H new ATOM 0 HG LEU A 52 4.432 -1.240 -6.311 1.00 32.14 H new ATOM 0 HD11 LEU A 52 2.624 -1.534 -7.982 1.00 31.24 H new ATOM 0 HD12 LEU A 52 2.075 -1.916 -6.332 1.00 31.24 H new ATOM 0 HD13 LEU A 52 1.617 -0.371 -7.087 1.00 31.24 H new ATOM 0 HD21 LEU A 52 4.433 0.165 -8.358 1.00 31.02 H new ATOM 0 HD22 LEU A 52 3.540 1.430 -7.482 1.00 31.02 H new ATOM 0 HD23 LEU A 52 5.192 0.998 -6.981 1.00 31.02 H new ATOM 840 N ALA A 53 4.285 1.205 -1.852 1.00 73.40 N ATOM 841 CA ALA A 53 4.151 2.125 -0.705 1.00 53.22 C ATOM 842 C ALA A 53 5.387 3.049 -0.647 1.00 31.03 C ATOM 843 O ALA A 53 5.249 4.268 -0.554 1.00 74.02 O ATOM 844 CB ALA A 53 3.960 1.349 0.613 1.00 34.52 C ATOM 0 H ALA A 53 4.431 0.229 -1.593 1.00 73.40 H new ATOM 0 HA ALA A 53 3.260 2.738 -0.839 1.00 53.22 H new ATOM 0 HB1 ALA A 53 3.864 2.053 1.439 1.00 34.52 H new ATOM 0 HB2 ALA A 53 3.058 0.740 0.549 1.00 34.52 H new ATOM 0 HB3 ALA A 53 4.822 0.704 0.784 1.00 34.52 H new ATOM 850 N ARG A 54 6.595 2.437 -0.741 1.00 50.13 N ATOM 851 CA ARG A 54 7.897 3.162 -0.835 1.00 73.44 C ATOM 852 C ARG A 54 7.933 4.098 -2.072 1.00 34.51 C ATOM 853 O ARG A 54 8.316 5.281 -1.977 1.00 54.43 O ATOM 854 CB ARG A 54 9.069 2.125 -0.908 1.00 11.21 C ATOM 855 CG ARG A 54 9.297 1.284 0.384 1.00 54.31 C ATOM 856 CD ARG A 54 10.380 1.866 1.331 1.00 73.11 C ATOM 857 NE ARG A 54 10.103 3.262 1.752 1.00 14.31 N ATOM 858 CZ ARG A 54 10.564 3.858 2.873 1.00 22.43 C ATOM 859 NH1 ARG A 54 11.340 3.210 3.727 1.00 50.34 N ATOM 860 NH2 ARG A 54 10.267 5.128 3.109 1.00 55.12 N ATOM 0 H ARG A 54 6.698 1.422 -0.754 1.00 50.13 H new ATOM 0 HA ARG A 54 8.012 3.782 0.054 1.00 73.44 H new ATOM 0 HB2 ARG A 54 8.877 1.443 -1.736 1.00 11.21 H new ATOM 0 HB3 ARG A 54 9.990 2.659 -1.141 1.00 11.21 H new ATOM 0 HG2 ARG A 54 8.355 1.209 0.928 1.00 54.31 H new ATOM 0 HG3 ARG A 54 9.583 0.271 0.101 1.00 54.31 H new ATOM 0 HD2 ARG A 54 10.455 1.235 2.217 1.00 73.11 H new ATOM 0 HD3 ARG A 54 11.348 1.830 0.831 1.00 73.11 H new ATOM 0 HE ARG A 54 9.511 3.822 1.139 1.00 14.31 H new ATOM 0 HH11 ARG A 54 11.601 2.241 3.545 1.00 50.34 H new ATOM 0 HH12 ARG A 54 11.677 3.680 4.567 1.00 50.34 H new ATOM 0 HH21 ARG A 54 9.693 5.649 2.446 1.00 55.12 H new ATOM 0 HH22 ARG A 54 10.612 5.584 3.954 1.00 55.12 H new ATOM 874 N ASP A 55 7.514 3.539 -3.220 1.00 20.12 N ATOM 875 CA ASP A 55 7.441 4.250 -4.513 1.00 73.35 C ATOM 876 C ASP A 55 6.490 5.461 -4.422 1.00 0.05 C ATOM 877 O ASP A 55 6.928 6.600 -4.581 1.00 13.12 O ATOM 878 CB ASP A 55 6.998 3.254 -5.624 1.00 33.22 C ATOM 879 CG ASP A 55 6.641 3.909 -6.970 1.00 11.53 C ATOM 880 OD1 ASP A 55 7.548 4.467 -7.630 1.00 0.35 O ATOM 881 OD2 ASP A 55 5.463 3.849 -7.380 1.00 25.40 O ATOM 0 H ASP A 55 7.212 2.567 -3.279 1.00 20.12 H new ATOM 0 HA ASP A 55 8.427 4.639 -4.768 1.00 73.35 H new ATOM 0 HB2 ASP A 55 7.799 2.533 -5.787 1.00 33.22 H new ATOM 0 HB3 ASP A 55 6.134 2.694 -5.267 1.00 33.22 H new ATOM 886 N CYS A 56 5.204 5.192 -4.108 1.00 41.44 N ATOM 887 CA CYS A 56 4.157 6.235 -3.981 1.00 61.42 C ATOM 888 C CYS A 56 4.568 7.308 -2.959 1.00 24.34 C ATOM 889 O CYS A 56 4.304 8.486 -3.168 1.00 21.41 O ATOM 890 CB CYS A 56 2.796 5.618 -3.573 1.00 43.04 C ATOM 891 SG CYS A 56 1.444 6.809 -3.417 1.00 12.03 S ATOM 0 H CYS A 56 4.861 4.247 -3.935 1.00 41.44 H new ATOM 0 HA CYS A 56 4.047 6.704 -4.959 1.00 61.42 H new ATOM 0 HB2 CYS A 56 2.517 4.867 -4.312 1.00 43.04 H new ATOM 0 HB3 CYS A 56 2.918 5.100 -2.622 1.00 43.04 H new ATOM 0 HG CYS A 56 0.355 6.187 -3.075 1.00 12.03 H new ATOM 897 N LEU A 57 5.253 6.873 -1.872 1.00 23.42 N ATOM 898 CA LEU A 57 5.780 7.768 -0.815 1.00 73.34 C ATOM 899 C LEU A 57 6.779 8.774 -1.394 1.00 54.41 C ATOM 900 O LEU A 57 6.636 9.982 -1.191 1.00 62.41 O ATOM 901 CB LEU A 57 6.455 6.928 0.316 1.00 40.35 C ATOM 902 CG LEU A 57 7.038 7.703 1.563 1.00 40.32 C ATOM 903 CD1 LEU A 57 6.878 6.865 2.838 1.00 63.13 C ATOM 904 CD2 LEU A 57 8.532 8.110 1.385 1.00 43.42 C ATOM 0 H LEU A 57 5.455 5.887 -1.705 1.00 23.42 H new ATOM 0 HA LEU A 57 4.943 8.325 -0.393 1.00 73.34 H new ATOM 0 HB2 LEU A 57 5.722 6.209 0.682 1.00 40.35 H new ATOM 0 HB3 LEU A 57 7.267 6.355 -0.132 1.00 40.35 H new ATOM 0 HG LEU A 57 6.462 8.624 1.649 1.00 40.32 H new ATOM 0 HD11 LEU A 57 7.285 7.414 3.687 1.00 63.13 H new ATOM 0 HD12 LEU A 57 5.821 6.662 3.010 1.00 63.13 H new ATOM 0 HD13 LEU A 57 7.414 5.923 2.724 1.00 63.13 H new ATOM 0 HD21 LEU A 57 8.874 8.639 2.275 1.00 43.42 H new ATOM 0 HD22 LEU A 57 9.138 7.216 1.239 1.00 43.42 H new ATOM 0 HD23 LEU A 57 8.631 8.761 0.516 1.00 43.42 H new ATOM 916 N THR A 58 7.797 8.258 -2.108 1.00 4.52 N ATOM 917 CA THR A 58 8.875 9.102 -2.654 1.00 40.34 C ATOM 918 C THR A 58 8.354 10.011 -3.796 1.00 31.33 C ATOM 919 O THR A 58 8.875 11.115 -4.006 1.00 22.41 O ATOM 920 CB THR A 58 10.096 8.245 -3.138 1.00 34.41 C ATOM 921 OG1 THR A 58 9.670 7.264 -4.100 1.00 2.35 O ATOM 922 CG2 THR A 58 10.812 7.536 -1.964 1.00 50.54 C ATOM 0 H THR A 58 7.895 7.265 -2.319 1.00 4.52 H new ATOM 0 HA THR A 58 9.222 9.742 -1.843 1.00 40.34 H new ATOM 0 HB THR A 58 10.805 8.933 -3.600 1.00 34.41 H new ATOM 0 HG1 THR A 58 8.691 7.247 -4.139 1.00 2.35 H new ATOM 0 HG21 THR A 58 11.651 6.955 -2.347 1.00 50.54 H new ATOM 0 HG22 THR A 58 11.179 8.281 -1.258 1.00 50.54 H new ATOM 0 HG23 THR A 58 10.111 6.872 -1.458 1.00 50.54 H new ATOM 930 N LYS A 59 7.314 9.539 -4.520 1.00 31.34 N ATOM 931 CA LYS A 59 6.663 10.334 -5.590 1.00 73.35 C ATOM 932 C LYS A 59 5.662 11.358 -4.991 1.00 73.32 C ATOM 933 O LYS A 59 5.352 12.375 -5.618 1.00 65.32 O ATOM 934 CB LYS A 59 5.970 9.417 -6.643 1.00 13.23 C ATOM 935 CG LYS A 59 6.866 8.284 -7.236 1.00 61.03 C ATOM 936 CD LYS A 59 8.290 8.746 -7.668 1.00 64.14 C ATOM 937 CE LYS A 59 8.291 9.798 -8.791 1.00 52.42 C ATOM 938 NZ LYS A 59 9.666 10.226 -9.144 1.00 2.42 N ATOM 0 H LYS A 59 6.907 8.614 -4.384 1.00 31.34 H new ATOM 0 HA LYS A 59 7.444 10.891 -6.108 1.00 73.35 H new ATOM 0 HB2 LYS A 59 5.094 8.961 -6.182 1.00 13.23 H new ATOM 0 HB3 LYS A 59 5.611 10.040 -7.462 1.00 13.23 H new ATOM 0 HG2 LYS A 59 6.964 7.491 -6.495 1.00 61.03 H new ATOM 0 HG3 LYS A 59 6.360 7.853 -8.100 1.00 61.03 H new ATOM 0 HD2 LYS A 59 8.807 9.155 -6.800 1.00 64.14 H new ATOM 0 HD3 LYS A 59 8.859 7.877 -7.998 1.00 64.14 H new ATOM 0 HE2 LYS A 59 7.800 9.388 -9.674 1.00 52.42 H new ATOM 0 HE3 LYS A 59 7.710 10.665 -8.477 1.00 52.42 H new ATOM 0 HZ1 LYS A 59 9.625 10.935 -9.904 1.00 2.42 H new ATOM 0 HZ2 LYS A 59 10.126 10.641 -8.308 1.00 2.42 H new ATOM 0 HZ3 LYS A 59 10.213 9.403 -9.468 1.00 2.42 H new ATOM 952 N SER A 60 5.165 11.068 -3.779 1.00 55.51 N ATOM 953 CA SER A 60 4.317 11.999 -2.995 1.00 51.21 C ATOM 954 C SER A 60 5.192 13.133 -2.425 1.00 2.42 C ATOM 955 O SER A 60 4.756 14.287 -2.322 1.00 43.30 O ATOM 956 CB SER A 60 3.571 11.226 -1.859 1.00 33.33 C ATOM 957 OG SER A 60 2.178 11.481 -1.883 1.00 23.33 O ATOM 0 H SER A 60 5.337 10.180 -3.307 1.00 55.51 H new ATOM 0 HA SER A 60 3.560 12.440 -3.644 1.00 51.21 H new ATOM 0 HB2 SER A 60 3.748 10.156 -1.969 1.00 33.33 H new ATOM 0 HB3 SER A 60 3.978 11.518 -0.891 1.00 33.33 H new ATOM 0 HG SER A 60 1.724 10.769 -2.379 1.00 23.33 H new ATOM 963 N ARG A 61 6.437 12.763 -2.063 1.00 22.30 N ATOM 964 CA ARG A 61 7.472 13.706 -1.610 1.00 42.13 C ATOM 965 C ARG A 61 7.866 14.651 -2.765 1.00 20.33 C ATOM 966 O ARG A 61 8.094 15.852 -2.557 1.00 72.32 O ATOM 967 CB ARG A 61 8.722 12.925 -1.099 1.00 33.25 C ATOM 968 CG ARG A 61 9.912 13.823 -0.681 1.00 20.01 C ATOM 969 CD ARG A 61 11.204 13.040 -0.418 1.00 41.20 C ATOM 970 NE ARG A 61 12.341 13.954 -0.197 1.00 43.14 N ATOM 971 CZ ARG A 61 13.624 13.601 -0.115 1.00 43.21 C ATOM 972 NH1 ARG A 61 14.003 12.334 -0.241 1.00 11.11 N ATOM 973 NH2 ARG A 61 14.540 14.534 0.113 1.00 61.10 N ATOM 0 H ARG A 61 6.752 11.793 -2.078 1.00 22.30 H new ATOM 0 HA ARG A 61 7.074 14.302 -0.789 1.00 42.13 H new ATOM 0 HB2 ARG A 61 8.429 12.312 -0.247 1.00 33.25 H new ATOM 0 HB3 ARG A 61 9.055 12.244 -1.882 1.00 33.25 H new ATOM 0 HG2 ARG A 61 10.095 14.559 -1.464 1.00 20.01 H new ATOM 0 HG3 ARG A 61 9.642 14.376 0.219 1.00 20.01 H new ATOM 0 HD2 ARG A 61 11.074 12.399 0.454 1.00 41.20 H new ATOM 0 HD3 ARG A 61 11.417 12.387 -1.265 1.00 41.20 H new ATOM 0 HE ARG A 61 12.126 14.946 -0.098 1.00 43.14 H new ATOM 0 HH11 ARG A 61 13.306 11.607 -0.404 1.00 11.11 H new ATOM 0 HH12 ARG A 61 14.991 12.088 -0.175 1.00 11.11 H new ATOM 0 HH21 ARG A 61 14.259 15.508 0.223 1.00 61.10 H new ATOM 0 HH22 ARG A 61 15.525 14.277 0.178 1.00 61.10 H new ATOM 987 N ASP A 62 7.945 14.081 -3.981 1.00 71.24 N ATOM 988 CA ASP A 62 8.205 14.831 -5.221 1.00 60.30 C ATOM 989 C ASP A 62 7.021 15.775 -5.526 1.00 20.12 C ATOM 990 O ASP A 62 7.211 16.911 -5.979 1.00 2.22 O ATOM 991 CB ASP A 62 8.440 13.828 -6.384 1.00 13.41 C ATOM 992 CG ASP A 62 8.803 14.461 -7.745 1.00 34.24 C ATOM 993 OD1 ASP A 62 9.332 15.597 -7.790 1.00 72.12 O ATOM 994 OD2 ASP A 62 8.582 13.798 -8.785 1.00 54.44 O ATOM 0 H ASP A 62 7.829 13.079 -4.131 1.00 71.24 H new ATOM 0 HA ASP A 62 9.098 15.445 -5.104 1.00 60.30 H new ATOM 0 HB2 ASP A 62 9.239 13.145 -6.096 1.00 13.41 H new ATOM 0 HB3 ASP A 62 7.539 13.228 -6.511 1.00 13.41 H new ATOM 999 N GLY A 63 5.800 15.280 -5.249 1.00 51.02 N ATOM 1000 CA GLY A 63 4.575 16.069 -5.363 1.00 44.32 C ATOM 1001 C GLY A 63 4.122 16.308 -6.801 1.00 2.11 C ATOM 1002 O GLY A 63 3.491 17.328 -7.094 1.00 20.04 O ATOM 0 H GLY A 63 5.643 14.321 -4.940 1.00 51.02 H new ATOM 0 HA2 GLY A 63 3.777 15.562 -4.821 1.00 44.32 H new ATOM 0 HA3 GLY A 63 4.729 17.032 -4.877 1.00 44.32 H new ATOM 1006 N LEU A 64 4.442 15.353 -7.702 1.00 40.04 N ATOM 1007 CA LEU A 64 3.983 15.400 -9.117 1.00 22.44 C ATOM 1008 C LEU A 64 2.585 14.747 -9.261 1.00 41.42 C ATOM 1009 O LEU A 64 1.982 14.776 -10.343 1.00 43.52 O ATOM 1010 CB LEU A 64 5.019 14.733 -10.091 1.00 51.45 C ATOM 1011 CG LEU A 64 5.062 13.160 -10.175 1.00 51.13 C ATOM 1012 CD1 LEU A 64 6.060 12.695 -11.266 1.00 71.13 C ATOM 1013 CD2 LEU A 64 5.382 12.503 -8.810 1.00 30.42 C ATOM 0 H LEU A 64 5.015 14.539 -7.479 1.00 40.04 H new ATOM 0 HA LEU A 64 3.904 16.449 -9.401 1.00 22.44 H new ATOM 0 HB2 LEU A 64 4.825 15.114 -11.094 1.00 51.45 H new ATOM 0 HB3 LEU A 64 6.013 15.078 -9.806 1.00 51.45 H new ATOM 0 HG LEU A 64 4.063 12.828 -10.455 1.00 51.13 H new ATOM 0 HD11 LEU A 64 6.073 11.606 -11.306 1.00 71.13 H new ATOM 0 HD12 LEU A 64 5.751 13.090 -12.234 1.00 71.13 H new ATOM 0 HD13 LEU A 64 7.058 13.061 -11.026 1.00 71.13 H new ATOM 0 HD21 LEU A 64 5.400 11.419 -8.923 1.00 30.42 H new ATOM 0 HD22 LEU A 64 6.355 12.847 -8.460 1.00 30.42 H new ATOM 0 HD23 LEU A 64 4.617 12.780 -8.085 1.00 30.42 H new ATOM 1025 N ILE A 65 2.097 14.160 -8.146 1.00 14.12 N ATOM 1026 CA ILE A 65 0.756 13.561 -8.045 1.00 23.44 C ATOM 1027 C ILE A 65 -0.308 14.667 -8.179 1.00 45.30 C ATOM 1028 O ILE A 65 -0.375 15.565 -7.332 1.00 0.45 O ATOM 1029 CB ILE A 65 0.585 12.821 -6.659 1.00 70.31 C ATOM 1030 CG1 ILE A 65 1.681 11.721 -6.507 1.00 51.45 C ATOM 1031 CG2 ILE A 65 -0.849 12.234 -6.480 1.00 33.01 C ATOM 1032 CD1 ILE A 65 1.621 10.917 -5.217 1.00 3.43 C ATOM 0 H ILE A 65 2.634 14.090 -7.282 1.00 14.12 H new ATOM 0 HA ILE A 65 0.632 12.832 -8.846 1.00 23.44 H new ATOM 0 HB ILE A 65 0.715 13.555 -5.863 1.00 70.31 H new ATOM 0 HG12 ILE A 65 1.601 11.033 -7.349 1.00 51.45 H new ATOM 0 HG13 ILE A 65 2.660 12.195 -6.575 1.00 51.45 H new ATOM 0 HG21 ILE A 65 -0.920 11.735 -5.514 1.00 33.01 H new ATOM 0 HG22 ILE A 65 -1.581 13.041 -6.526 1.00 33.01 H new ATOM 0 HG23 ILE A 65 -1.050 11.516 -7.275 1.00 33.01 H new ATOM 0 HD11 ILE A 65 2.424 10.180 -5.210 1.00 3.43 H new ATOM 0 HD12 ILE A 65 1.736 11.587 -4.365 1.00 3.43 H new ATOM 0 HD13 ILE A 65 0.660 10.407 -5.151 1.00 3.43 H new ATOM 1044 N THR A 66 -1.091 14.624 -9.272 1.00 71.41 N ATOM 1045 CA THR A 66 -2.206 15.558 -9.474 1.00 12.31 C ATOM 1046 C THR A 66 -3.369 15.142 -8.541 1.00 4.12 C ATOM 1047 O THR A 66 -3.845 15.945 -7.732 1.00 45.40 O ATOM 1048 CB THR A 66 -2.642 15.587 -10.980 1.00 73.12 C ATOM 1049 OG1 THR A 66 -1.476 15.781 -11.819 1.00 3.34 O ATOM 1050 CG2 THR A 66 -3.669 16.702 -11.270 1.00 61.41 C ATOM 0 H THR A 66 -0.969 13.950 -10.028 1.00 71.41 H new ATOM 0 HA THR A 66 -1.897 16.572 -9.222 1.00 12.31 H new ATOM 0 HB THR A 66 -3.118 14.631 -11.201 1.00 73.12 H new ATOM 0 HG1 THR A 66 -1.749 15.797 -12.760 1.00 3.34 H new ATOM 0 HG21 THR A 66 -3.940 16.682 -12.326 1.00 61.41 H new ATOM 0 HG22 THR A 66 -4.560 16.542 -10.663 1.00 61.41 H new ATOM 0 HG23 THR A 66 -3.233 17.671 -11.026 1.00 61.41 H new ATOM 1058 N THR A 67 -3.760 13.853 -8.646 1.00 31.41 N ATOM 1059 CA THR A 67 -4.716 13.200 -7.720 1.00 24.10 C ATOM 1060 C THR A 67 -4.877 11.707 -8.089 1.00 25.51 C ATOM 1061 O THR A 67 -4.965 10.848 -7.203 1.00 62.53 O ATOM 1062 CB THR A 67 -6.138 13.905 -7.659 1.00 3.33 C ATOM 1063 OG1 THR A 67 -6.942 13.328 -6.614 1.00 31.02 O ATOM 1064 CG2 THR A 67 -6.917 13.817 -8.983 1.00 40.10 C ATOM 0 H THR A 67 -3.420 13.231 -9.380 1.00 31.41 H new ATOM 0 HA THR A 67 -4.287 13.298 -6.723 1.00 24.10 H new ATOM 0 HB THR A 67 -5.940 14.958 -7.457 1.00 3.33 H new ATOM 0 HG1 THR A 67 -7.318 12.477 -6.923 1.00 31.02 H new ATOM 0 HG21 THR A 67 -7.879 14.318 -8.873 1.00 40.10 H new ATOM 0 HG22 THR A 67 -6.345 14.300 -9.775 1.00 40.10 H new ATOM 0 HG23 THR A 67 -7.080 12.770 -9.240 1.00 40.10 H new ATOM 1072 N VAL A 68 -4.823 11.411 -9.408 1.00 21.40 N ATOM 1073 CA VAL A 68 -5.221 10.096 -9.984 1.00 72.44 C ATOM 1074 C VAL A 68 -4.253 8.965 -9.578 1.00 64.11 C ATOM 1075 O VAL A 68 -4.641 7.802 -9.572 1.00 72.20 O ATOM 1076 CB VAL A 68 -5.316 10.179 -11.565 1.00 33.53 C ATOM 1077 CG1 VAL A 68 -5.900 8.880 -12.213 1.00 5.31 C ATOM 1078 CG2 VAL A 68 -6.121 11.428 -12.007 1.00 44.21 C ATOM 0 H VAL A 68 -4.501 12.078 -10.110 1.00 21.40 H new ATOM 0 HA VAL A 68 -6.203 9.858 -9.576 1.00 72.44 H new ATOM 0 HB VAL A 68 -4.293 10.273 -11.930 1.00 33.53 H new ATOM 0 HG11 VAL A 68 -5.939 9.000 -13.296 1.00 5.31 H new ATOM 0 HG12 VAL A 68 -5.263 8.031 -11.965 1.00 5.31 H new ATOM 0 HG13 VAL A 68 -6.905 8.703 -11.831 1.00 5.31 H new ATOM 0 HG21 VAL A 68 -6.172 11.462 -13.095 1.00 44.21 H new ATOM 0 HG22 VAL A 68 -7.130 11.374 -11.598 1.00 44.21 H new ATOM 0 HG23 VAL A 68 -5.628 12.328 -11.639 1.00 44.21 H new ATOM 1088 N TYR A 69 -3.005 9.317 -9.218 1.00 52.22 N ATOM 1089 CA TYR A 69 -1.965 8.328 -8.853 1.00 32.12 C ATOM 1090 C TYR A 69 -2.420 7.480 -7.638 1.00 42.44 C ATOM 1091 O TYR A 69 -2.250 6.255 -7.626 1.00 0.32 O ATOM 1092 CB TYR A 69 -0.616 9.054 -8.585 1.00 34.35 C ATOM 1093 CG TYR A 69 0.642 8.156 -8.611 1.00 12.41 C ATOM 1094 CD1 TYR A 69 0.817 7.189 -9.607 1.00 2.41 C ATOM 1095 CD2 TYR A 69 1.675 8.309 -7.680 1.00 32.41 C ATOM 1096 CE1 TYR A 69 1.963 6.427 -9.667 1.00 55.23 C ATOM 1097 CE2 TYR A 69 2.817 7.541 -7.735 1.00 75.44 C ATOM 1098 CZ TYR A 69 2.958 6.604 -8.731 1.00 33.10 C ATOM 1099 OH TYR A 69 4.111 5.863 -8.811 1.00 13.14 O ATOM 0 H TYR A 69 -2.688 10.285 -9.171 1.00 52.22 H new ATOM 0 HA TYR A 69 -1.815 7.640 -9.685 1.00 32.12 H new ATOM 0 HB2 TYR A 69 -0.494 9.842 -9.329 1.00 34.35 H new ATOM 0 HB3 TYR A 69 -0.673 9.541 -7.611 1.00 34.35 H new ATOM 0 HD1 TYR A 69 0.040 7.037 -10.342 1.00 2.41 H new ATOM 0 HD2 TYR A 69 1.574 9.048 -6.899 1.00 32.41 H new ATOM 0 HE1 TYR A 69 2.081 5.691 -10.448 1.00 55.23 H new ATOM 0 HE2 TYR A 69 3.597 7.674 -7.000 1.00 75.44 H new ATOM 0 HH TYR A 69 4.170 5.265 -8.037 1.00 13.14 H new ATOM 1109 N PHE A 70 -3.072 8.146 -6.660 1.00 54.41 N ATOM 1110 CA PHE A 70 -3.644 7.473 -5.474 1.00 75.21 C ATOM 1111 C PHE A 70 -4.822 6.562 -5.870 1.00 61.32 C ATOM 1112 O PHE A 70 -4.997 5.495 -5.284 1.00 22.15 O ATOM 1113 CB PHE A 70 -4.105 8.507 -4.408 1.00 74.24 C ATOM 1114 CG PHE A 70 -2.971 9.291 -3.740 1.00 62.20 C ATOM 1115 CD1 PHE A 70 -1.778 8.654 -3.380 1.00 31.23 C ATOM 1116 CD2 PHE A 70 -3.096 10.652 -3.458 1.00 5.14 C ATOM 1117 CE1 PHE A 70 -0.759 9.352 -2.767 1.00 35.02 C ATOM 1118 CE2 PHE A 70 -2.071 11.348 -2.840 1.00 70.42 C ATOM 1119 CZ PHE A 70 -0.904 10.695 -2.496 1.00 21.21 C ATOM 0 H PHE A 70 -3.216 9.156 -6.670 1.00 54.41 H new ATOM 0 HA PHE A 70 -2.858 6.856 -5.038 1.00 75.21 H new ATOM 0 HB2 PHE A 70 -4.788 9.214 -4.880 1.00 74.24 H new ATOM 0 HB3 PHE A 70 -4.670 7.985 -3.636 1.00 74.24 H new ATOM 0 HD1 PHE A 70 -1.654 7.601 -3.585 1.00 31.23 H new ATOM 0 HD2 PHE A 70 -4.005 11.170 -3.726 1.00 5.14 H new ATOM 0 HE1 PHE A 70 0.156 8.844 -2.498 1.00 35.02 H new ATOM 0 HE2 PHE A 70 -2.184 12.401 -2.627 1.00 70.42 H new ATOM 0 HZ PHE A 70 -0.104 11.238 -2.014 1.00 21.21 H new ATOM 1129 N TYR A 71 -5.620 7.005 -6.865 1.00 43.00 N ATOM 1130 CA TYR A 71 -6.781 6.238 -7.394 1.00 54.23 C ATOM 1131 C TYR A 71 -6.295 4.939 -8.053 1.00 54.30 C ATOM 1132 O TYR A 71 -6.913 3.889 -7.906 1.00 24.43 O ATOM 1133 CB TYR A 71 -7.589 7.065 -8.441 1.00 74.14 C ATOM 1134 CG TYR A 71 -8.329 8.316 -7.915 1.00 74.43 C ATOM 1135 CD1 TYR A 71 -7.691 9.255 -7.105 1.00 42.34 C ATOM 1136 CD2 TYR A 71 -9.666 8.575 -8.268 1.00 74.44 C ATOM 1137 CE1 TYR A 71 -8.342 10.388 -6.661 1.00 44.41 C ATOM 1138 CE2 TYR A 71 -10.316 9.718 -7.831 1.00 72.24 C ATOM 1139 CZ TYR A 71 -9.651 10.619 -7.028 1.00 54.23 C ATOM 1140 OH TYR A 71 -10.290 11.765 -6.603 1.00 62.30 O ATOM 0 H TYR A 71 -5.482 7.904 -7.328 1.00 43.00 H new ATOM 0 HA TYR A 71 -7.435 6.012 -6.552 1.00 54.23 H new ATOM 0 HB2 TYR A 71 -6.904 7.381 -9.228 1.00 74.14 H new ATOM 0 HB3 TYR A 71 -8.323 6.405 -8.903 1.00 74.14 H new ATOM 0 HD1 TYR A 71 -6.663 9.092 -6.818 1.00 42.34 H new ATOM 0 HD2 TYR A 71 -10.196 7.870 -8.891 1.00 74.44 H new ATOM 0 HE1 TYR A 71 -7.826 11.093 -6.026 1.00 44.41 H new ATOM 0 HE2 TYR A 71 -11.341 9.902 -8.119 1.00 72.24 H new ATOM 0 HH TYR A 71 -11.207 11.776 -6.950 1.00 62.30 H new ATOM 1150 N GLU A 72 -5.177 5.050 -8.780 1.00 50.24 N ATOM 1151 CA GLU A 72 -4.550 3.925 -9.487 1.00 2.32 C ATOM 1152 C GLU A 72 -3.929 2.938 -8.483 1.00 1.21 C ATOM 1153 O GLU A 72 -3.976 1.714 -8.698 1.00 34.43 O ATOM 1154 CB GLU A 72 -3.496 4.464 -10.483 1.00 0.12 C ATOM 1155 CG GLU A 72 -4.091 5.360 -11.589 1.00 71.05 C ATOM 1156 CD GLU A 72 -3.034 5.889 -12.565 1.00 12.34 C ATOM 1157 OE1 GLU A 72 -2.413 6.941 -12.285 1.00 25.14 O ATOM 1158 OE2 GLU A 72 -2.798 5.235 -13.608 1.00 1.34 O ATOM 0 H GLU A 72 -4.677 5.931 -8.896 1.00 50.24 H new ATOM 0 HA GLU A 72 -5.308 3.381 -10.051 1.00 2.32 H new ATOM 0 HB2 GLU A 72 -2.745 5.031 -9.933 1.00 0.12 H new ATOM 0 HB3 GLU A 72 -2.983 3.622 -10.947 1.00 0.12 H new ATOM 0 HG2 GLU A 72 -4.839 4.794 -12.144 1.00 71.05 H new ATOM 0 HG3 GLU A 72 -4.606 6.203 -11.128 1.00 71.05 H new ATOM 1165 N LEU A 73 -3.351 3.482 -7.380 1.00 54.52 N ATOM 1166 CA LEU A 73 -2.908 2.655 -6.239 1.00 55.34 C ATOM 1167 C LEU A 73 -4.108 1.899 -5.624 1.00 72.03 C ATOM 1168 O LEU A 73 -3.995 0.709 -5.350 1.00 45.51 O ATOM 1169 CB LEU A 73 -2.120 3.479 -5.158 1.00 31.11 C ATOM 1170 CG LEU A 73 -0.553 3.478 -5.288 1.00 44.13 C ATOM 1171 CD1 LEU A 73 0.017 2.036 -5.239 1.00 44.05 C ATOM 1172 CD2 LEU A 73 -0.074 4.224 -6.554 1.00 13.22 C ATOM 0 H LEU A 73 -3.184 4.481 -7.262 1.00 54.52 H new ATOM 0 HA LEU A 73 -2.200 1.922 -6.625 1.00 55.34 H new ATOM 0 HB2 LEU A 73 -2.466 4.512 -5.196 1.00 31.11 H new ATOM 0 HB3 LEU A 73 -2.382 3.091 -4.174 1.00 31.11 H new ATOM 0 HG LEU A 73 -0.163 4.023 -4.428 1.00 44.13 H new ATOM 0 HD11 LEU A 73 1.103 2.071 -5.331 1.00 44.05 H new ATOM 0 HD12 LEU A 73 -0.252 1.571 -4.291 1.00 44.05 H new ATOM 0 HD13 LEU A 73 -0.399 1.452 -6.060 1.00 44.05 H new ATOM 0 HD21 LEU A 73 1.015 4.198 -6.602 1.00 13.22 H new ATOM 0 HD22 LEU A 73 -0.488 3.741 -7.439 1.00 13.22 H new ATOM 0 HD23 LEU A 73 -0.410 5.260 -6.515 1.00 13.22 H new ATOM 1184 N GLN A 74 -5.264 2.586 -5.461 1.00 63.31 N ATOM 1185 CA GLN A 74 -6.514 1.951 -4.962 1.00 25.52 C ATOM 1186 C GLN A 74 -6.900 0.765 -5.870 1.00 21.31 C ATOM 1187 O GLN A 74 -7.128 -0.346 -5.391 1.00 44.10 O ATOM 1188 CB GLN A 74 -7.695 2.970 -4.908 1.00 50.13 C ATOM 1189 CG GLN A 74 -7.540 4.118 -3.897 1.00 23.44 C ATOM 1190 CD GLN A 74 -8.764 5.041 -3.855 1.00 3.33 C ATOM 1191 OE1 GLN A 74 -8.836 6.047 -4.568 1.00 21.05 O ATOM 1192 NE2 GLN A 74 -9.755 4.676 -3.049 1.00 35.45 N ATOM 0 H GLN A 74 -5.360 3.580 -5.667 1.00 63.31 H new ATOM 0 HA GLN A 74 -6.324 1.597 -3.949 1.00 25.52 H new ATOM 0 HB2 GLN A 74 -7.825 3.400 -5.901 1.00 50.13 H new ATOM 0 HB3 GLN A 74 -8.610 2.426 -4.674 1.00 50.13 H new ATOM 0 HG2 GLN A 74 -7.370 3.701 -2.904 1.00 23.44 H new ATOM 0 HG3 GLN A 74 -6.657 4.704 -4.152 1.00 23.44 H new ATOM 0 HE21 GLN A 74 -9.662 3.839 -2.473 1.00 35.45 H new ATOM 0 HE22 GLN A 74 -10.609 5.233 -3.006 1.00 35.45 H new ATOM 1201 N GLU A 75 -6.900 1.027 -7.193 1.00 1.41 N ATOM 1202 CA GLU A 75 -7.302 0.044 -8.216 1.00 54.41 C ATOM 1203 C GLU A 75 -6.407 -1.211 -8.184 1.00 72.33 C ATOM 1204 O GLU A 75 -6.926 -2.334 -8.167 1.00 1.41 O ATOM 1205 CB GLU A 75 -7.283 0.707 -9.627 1.00 52.24 C ATOM 1206 CG GLU A 75 -8.338 1.820 -9.808 1.00 33.32 C ATOM 1207 CD GLU A 75 -8.352 2.458 -11.213 1.00 73.44 C ATOM 1208 OE1 GLU A 75 -7.397 3.196 -11.559 1.00 11.12 O ATOM 1209 OE2 GLU A 75 -9.328 2.241 -11.971 1.00 30.22 O ATOM 0 H GLU A 75 -6.621 1.928 -7.581 1.00 1.41 H new ATOM 0 HA GLU A 75 -8.318 -0.282 -7.992 1.00 54.41 H new ATOM 0 HB2 GLU A 75 -6.293 1.125 -9.808 1.00 52.24 H new ATOM 0 HB3 GLU A 75 -7.447 -0.062 -10.382 1.00 52.24 H new ATOM 0 HG2 GLU A 75 -9.325 1.407 -9.599 1.00 33.32 H new ATOM 0 HG3 GLU A 75 -8.157 2.600 -9.069 1.00 33.32 H new ATOM 1216 N ASN A 76 -5.066 -1.021 -8.144 1.00 65.22 N ATOM 1217 CA ASN A 76 -4.105 -2.149 -8.238 1.00 70.02 C ATOM 1218 C ASN A 76 -3.955 -2.899 -6.889 1.00 20.54 C ATOM 1219 O ASN A 76 -3.672 -4.094 -6.885 1.00 60.34 O ATOM 1220 CB ASN A 76 -2.716 -1.702 -8.794 1.00 20.12 C ATOM 1221 CG ASN A 76 -1.757 -1.088 -7.769 1.00 2.01 C ATOM 1222 OD1 ASN A 76 -1.715 0.116 -7.589 1.00 62.25 O ATOM 1223 ND2 ASN A 76 -0.954 -1.922 -7.108 1.00 1.31 N ATOM 0 H ASN A 76 -4.627 -0.105 -8.048 1.00 65.22 H new ATOM 0 HA ASN A 76 -4.528 -2.850 -8.958 1.00 70.02 H new ATOM 0 HB2 ASN A 76 -2.231 -2.567 -9.246 1.00 20.12 H new ATOM 0 HB3 ASN A 76 -2.880 -0.976 -9.591 1.00 20.12 H new ATOM 0 HD21 ASN A 76 -0.283 -1.556 -6.432 1.00 1.31 H new ATOM 0 HD22 ASN A 76 -1.010 -2.926 -7.278 1.00 1.31 H new ATOM 1230 N LEU A 77 -4.152 -2.198 -5.749 1.00 32.53 N ATOM 1231 CA LEU A 77 -4.053 -2.817 -4.397 1.00 21.33 C ATOM 1232 C LEU A 77 -5.354 -3.550 -4.025 1.00 71.20 C ATOM 1233 O LEU A 77 -5.324 -4.501 -3.243 1.00 23.40 O ATOM 1234 CB LEU A 77 -3.684 -1.753 -3.322 1.00 13.50 C ATOM 1235 CG LEU A 77 -2.282 -1.060 -3.489 1.00 74.41 C ATOM 1236 CD1 LEU A 77 -2.006 -0.044 -2.349 1.00 62.13 C ATOM 1237 CD2 LEU A 77 -1.139 -2.098 -3.625 1.00 33.41 C ATOM 0 H LEU A 77 -4.380 -1.204 -5.733 1.00 32.53 H new ATOM 0 HA LEU A 77 -3.252 -3.556 -4.427 1.00 21.33 H new ATOM 0 HB2 LEU A 77 -4.452 -0.980 -3.327 1.00 13.50 H new ATOM 0 HB3 LEU A 77 -3.717 -2.229 -2.342 1.00 13.50 H new ATOM 0 HG LEU A 77 -2.312 -0.496 -4.421 1.00 74.41 H new ATOM 0 HD11 LEU A 77 -1.028 0.414 -2.499 1.00 62.13 H new ATOM 0 HD12 LEU A 77 -2.774 0.729 -2.357 1.00 62.13 H new ATOM 0 HD13 LEU A 77 -2.021 -0.561 -1.389 1.00 62.13 H new ATOM 0 HD21 LEU A 77 -0.187 -1.579 -3.738 1.00 33.41 H new ATOM 0 HD22 LEU A 77 -1.107 -2.723 -2.733 1.00 33.41 H new ATOM 0 HD23 LEU A 77 -1.318 -2.723 -4.500 1.00 33.41 H new ATOM 1249 N GLU A 78 -6.491 -3.092 -4.577 1.00 3.45 N ATOM 1250 CA GLU A 78 -7.785 -3.802 -4.459 1.00 70.22 C ATOM 1251 C GLU A 78 -7.880 -4.923 -5.511 1.00 10.44 C ATOM 1252 O GLU A 78 -8.585 -5.925 -5.303 1.00 40.43 O ATOM 1253 CB GLU A 78 -8.957 -2.792 -4.536 1.00 23.13 C ATOM 1254 CG GLU A 78 -9.077 -1.918 -3.261 1.00 50.53 C ATOM 1255 CD GLU A 78 -10.059 -0.736 -3.384 1.00 62.33 C ATOM 1256 OE1 GLU A 78 -11.235 -0.961 -3.749 1.00 54.02 O ATOM 1257 OE2 GLU A 78 -9.669 0.416 -3.070 1.00 11.02 O ATOM 0 H GLU A 78 -6.544 -2.227 -5.114 1.00 3.45 H new ATOM 0 HA GLU A 78 -7.852 -4.286 -3.485 1.00 70.22 H new ATOM 0 HB2 GLU A 78 -8.818 -2.146 -5.403 1.00 23.13 H new ATOM 0 HB3 GLU A 78 -9.890 -3.335 -4.689 1.00 23.13 H new ATOM 0 HG2 GLU A 78 -9.392 -2.550 -2.431 1.00 50.53 H new ATOM 0 HG3 GLU A 78 -8.090 -1.529 -3.009 1.00 50.53 H new ATOM 1264 N LYS A 79 -7.134 -4.759 -6.623 1.00 3.42 N ATOM 1265 CA LYS A 79 -6.867 -5.855 -7.575 1.00 54.22 C ATOM 1266 C LYS A 79 -6.077 -6.958 -6.849 1.00 53.41 C ATOM 1267 O LYS A 79 -6.408 -8.131 -6.953 1.00 23.40 O ATOM 1268 CB LYS A 79 -6.066 -5.326 -8.801 1.00 62.04 C ATOM 1269 CG LYS A 79 -5.691 -6.380 -9.872 1.00 10.52 C ATOM 1270 CD LYS A 79 -4.864 -5.768 -11.035 1.00 63.32 C ATOM 1271 CE LYS A 79 -4.538 -6.789 -12.145 1.00 14.10 C ATOM 1272 NZ LYS A 79 -3.743 -6.179 -13.248 1.00 0.20 N ATOM 0 H LYS A 79 -6.704 -3.872 -6.884 1.00 3.42 H new ATOM 0 HA LYS A 79 -7.810 -6.262 -7.942 1.00 54.22 H new ATOM 0 HB2 LYS A 79 -6.651 -4.541 -9.281 1.00 62.04 H new ATOM 0 HB3 LYS A 79 -5.148 -4.863 -8.438 1.00 62.04 H new ATOM 0 HG2 LYS A 79 -5.119 -7.182 -9.405 1.00 10.52 H new ATOM 0 HG3 LYS A 79 -6.601 -6.828 -10.272 1.00 10.52 H new ATOM 0 HD2 LYS A 79 -5.417 -4.934 -11.467 1.00 63.32 H new ATOM 0 HD3 LYS A 79 -3.934 -5.362 -10.638 1.00 63.32 H new ATOM 0 HE2 LYS A 79 -3.984 -7.625 -11.718 1.00 14.10 H new ATOM 0 HE3 LYS A 79 -5.466 -7.195 -12.548 1.00 14.10 H new ATOM 0 HZ1 LYS A 79 -3.546 -6.898 -13.973 1.00 0.20 H new ATOM 0 HZ2 LYS A 79 -4.282 -5.398 -13.673 1.00 0.20 H new ATOM 0 HZ3 LYS A 79 -2.846 -5.814 -12.869 1.00 0.20 H new ATOM 1286 N LEU A 80 -5.050 -6.528 -6.080 1.00 40.33 N ATOM 1287 CA LEU A 80 -4.211 -7.427 -5.251 1.00 31.22 C ATOM 1288 C LEU A 80 -4.953 -7.929 -4.002 1.00 33.34 C ATOM 1289 O LEU A 80 -4.599 -8.975 -3.470 1.00 72.52 O ATOM 1290 CB LEU A 80 -2.892 -6.723 -4.835 1.00 41.12 C ATOM 1291 CG LEU A 80 -1.848 -6.510 -5.973 1.00 25.25 C ATOM 1292 CD1 LEU A 80 -0.660 -5.661 -5.473 1.00 32.31 C ATOM 1293 CD2 LEU A 80 -1.379 -7.870 -6.563 1.00 52.21 C ATOM 0 H LEU A 80 -4.779 -5.547 -6.016 1.00 40.33 H new ATOM 0 HA LEU A 80 -3.976 -8.294 -5.868 1.00 31.22 H new ATOM 0 HB2 LEU A 80 -3.140 -5.751 -4.409 1.00 41.12 H new ATOM 0 HB3 LEU A 80 -2.424 -7.308 -4.043 1.00 41.12 H new ATOM 0 HG LEU A 80 -2.329 -5.958 -6.780 1.00 25.25 H new ATOM 0 HD11 LEU A 80 0.056 -5.525 -6.283 1.00 32.31 H new ATOM 0 HD12 LEU A 80 -1.022 -4.688 -5.141 1.00 32.31 H new ATOM 0 HD13 LEU A 80 -0.174 -6.170 -4.641 1.00 32.31 H new ATOM 0 HD21 LEU A 80 -0.651 -7.692 -7.355 1.00 52.21 H new ATOM 0 HD22 LEU A 80 -0.920 -8.469 -5.776 1.00 52.21 H new ATOM 0 HD23 LEU A 80 -2.237 -8.404 -6.972 1.00 52.21 H new ATOM 1305 N LEU A 81 -5.944 -7.160 -3.514 1.00 32.13 N ATOM 1306 CA LEU A 81 -6.812 -7.583 -2.394 1.00 63.11 C ATOM 1307 C LEU A 81 -7.636 -8.801 -2.818 1.00 41.52 C ATOM 1308 O LEU A 81 -7.643 -9.838 -2.142 1.00 23.03 O ATOM 1309 CB LEU A 81 -7.770 -6.440 -1.961 1.00 62.42 C ATOM 1310 CG LEU A 81 -8.748 -6.797 -0.798 1.00 74.30 C ATOM 1311 CD1 LEU A 81 -8.013 -6.877 0.560 1.00 12.21 C ATOM 1312 CD2 LEU A 81 -9.970 -5.847 -0.760 1.00 74.03 C ATOM 0 H LEU A 81 -6.166 -6.234 -3.880 1.00 32.13 H new ATOM 0 HA LEU A 81 -6.175 -7.837 -1.547 1.00 63.11 H new ATOM 0 HB2 LEU A 81 -7.171 -5.580 -1.660 1.00 62.42 H new ATOM 0 HB3 LEU A 81 -8.357 -6.132 -2.826 1.00 62.42 H new ATOM 0 HG LEU A 81 -9.142 -7.794 -0.997 1.00 74.30 H new ATOM 0 HD11 LEU A 81 -8.726 -7.128 1.345 1.00 12.21 H new ATOM 0 HD12 LEU A 81 -7.242 -7.646 0.512 1.00 12.21 H new ATOM 0 HD13 LEU A 81 -7.552 -5.914 0.782 1.00 12.21 H new ATOM 0 HD21 LEU A 81 -10.625 -6.130 0.064 1.00 74.03 H new ATOM 0 HD22 LEU A 81 -9.629 -4.822 -0.617 1.00 74.03 H new ATOM 0 HD23 LEU A 81 -10.517 -5.920 -1.700 1.00 74.03 H new ATOM 1324 N GLN A 82 -8.324 -8.642 -3.963 1.00 65.24 N ATOM 1325 CA GLN A 82 -9.131 -9.709 -4.574 1.00 1.34 C ATOM 1326 C GLN A 82 -8.233 -10.895 -4.968 1.00 43.55 C ATOM 1327 O GLN A 82 -8.550 -12.036 -4.648 1.00 2.21 O ATOM 1328 CB GLN A 82 -9.944 -9.145 -5.790 1.00 12.51 C ATOM 1329 CG GLN A 82 -11.358 -8.608 -5.441 1.00 62.05 C ATOM 1330 CD GLN A 82 -11.424 -7.714 -4.189 1.00 72.41 C ATOM 1331 OE1 GLN A 82 -11.651 -8.199 -3.075 1.00 14.12 O ATOM 1332 NE2 GLN A 82 -11.230 -6.408 -4.353 1.00 23.50 N ATOM 0 H GLN A 82 -8.335 -7.769 -4.490 1.00 65.24 H new ATOM 0 HA GLN A 82 -9.854 -10.080 -3.848 1.00 1.34 H new ATOM 0 HB2 GLN A 82 -9.370 -8.341 -6.250 1.00 12.51 H new ATOM 0 HB3 GLN A 82 -10.045 -9.932 -6.537 1.00 12.51 H new ATOM 0 HG2 GLN A 82 -11.736 -8.043 -6.293 1.00 62.05 H new ATOM 0 HG3 GLN A 82 -12.028 -9.456 -5.299 1.00 62.05 H new ATOM 0 HE21 GLN A 82 -11.044 -6.033 -5.283 1.00 23.50 H new ATOM 0 HE22 GLN A 82 -11.267 -5.782 -3.549 1.00 23.50 H new ATOM 1341 N ASP A 83 -7.082 -10.597 -5.609 1.00 35.04 N ATOM 1342 CA ASP A 83 -6.056 -11.607 -5.979 1.00 42.15 C ATOM 1343 C ASP A 83 -5.610 -12.419 -4.746 1.00 71.21 C ATOM 1344 O ASP A 83 -5.486 -13.638 -4.815 1.00 71.31 O ATOM 1345 CB ASP A 83 -4.808 -10.930 -6.653 1.00 2.25 C ATOM 1346 CG ASP A 83 -4.793 -11.011 -8.196 1.00 60.11 C ATOM 1347 OD1 ASP A 83 -4.283 -12.023 -8.739 1.00 10.24 O ATOM 1348 OD2 ASP A 83 -5.278 -10.072 -8.872 1.00 33.15 O ATOM 0 H ASP A 83 -6.834 -9.648 -5.887 1.00 35.04 H new ATOM 0 HA ASP A 83 -6.513 -12.286 -6.699 1.00 42.15 H new ATOM 0 HB2 ASP A 83 -4.774 -9.882 -6.356 1.00 2.25 H new ATOM 0 HB3 ASP A 83 -3.903 -11.400 -6.268 1.00 2.25 H new ATOM 1353 N ALA A 84 -5.387 -11.716 -3.622 1.00 3.42 N ATOM 1354 CA ALA A 84 -4.938 -12.330 -2.360 1.00 43.30 C ATOM 1355 C ALA A 84 -6.032 -13.238 -1.768 1.00 3.05 C ATOM 1356 O ALA A 84 -5.742 -14.353 -1.329 1.00 62.03 O ATOM 1357 CB ALA A 84 -4.511 -11.247 -1.353 1.00 72.21 C ATOM 0 H ALA A 84 -5.513 -10.706 -3.563 1.00 3.42 H new ATOM 0 HA ALA A 84 -4.070 -12.954 -2.574 1.00 43.30 H new ATOM 0 HB1 ALA A 84 -4.183 -11.720 -0.427 1.00 72.21 H new ATOM 0 HB2 ALA A 84 -3.692 -10.663 -1.772 1.00 72.21 H new ATOM 0 HB3 ALA A 84 -5.356 -10.590 -1.145 1.00 72.21 H new ATOM 1363 N TYR A 85 -7.294 -12.763 -1.795 1.00 22.41 N ATOM 1364 CA TYR A 85 -8.456 -13.552 -1.328 1.00 45.34 C ATOM 1365 C TYR A 85 -8.666 -14.826 -2.190 1.00 51.10 C ATOM 1366 O TYR A 85 -9.176 -15.832 -1.694 1.00 42.35 O ATOM 1367 CB TYR A 85 -9.756 -12.686 -1.293 1.00 23.41 C ATOM 1368 CG TYR A 85 -9.825 -11.632 -0.158 1.00 10.20 C ATOM 1369 CD1 TYR A 85 -9.248 -11.873 1.101 1.00 13.42 C ATOM 1370 CD2 TYR A 85 -10.497 -10.409 -0.329 1.00 1.03 C ATOM 1371 CE1 TYR A 85 -9.332 -10.942 2.121 1.00 2.42 C ATOM 1372 CE2 TYR A 85 -10.575 -9.486 0.692 1.00 32.23 C ATOM 1373 CZ TYR A 85 -9.995 -9.753 1.912 1.00 62.11 C ATOM 1374 OH TYR A 85 -10.081 -8.825 2.925 1.00 50.44 O ATOM 0 H TYR A 85 -7.537 -11.833 -2.137 1.00 22.41 H new ATOM 0 HA TYR A 85 -8.237 -13.872 -0.309 1.00 45.34 H new ATOM 0 HB2 TYR A 85 -9.855 -12.172 -2.249 1.00 23.41 H new ATOM 0 HB3 TYR A 85 -10.613 -13.352 -1.199 1.00 23.41 H new ATOM 0 HD1 TYR A 85 -8.729 -12.804 1.276 1.00 13.42 H new ATOM 0 HD2 TYR A 85 -10.961 -10.188 -1.279 1.00 1.03 H new ATOM 0 HE1 TYR A 85 -8.878 -11.147 3.079 1.00 2.42 H new ATOM 0 HE2 TYR A 85 -11.092 -8.551 0.535 1.00 32.23 H new ATOM 0 HH TYR A 85 -9.281 -8.881 3.488 1.00 50.44 H new ATOM 1384 N GLU A 86 -8.253 -14.773 -3.471 1.00 45.31 N ATOM 1385 CA GLU A 86 -8.323 -15.928 -4.390 1.00 62.45 C ATOM 1386 C GLU A 86 -7.051 -16.811 -4.285 1.00 53.43 C ATOM 1387 O GLU A 86 -7.005 -17.902 -4.868 1.00 42.24 O ATOM 1388 CB GLU A 86 -8.512 -15.437 -5.858 1.00 40.23 C ATOM 1389 CG GLU A 86 -9.744 -14.535 -6.103 1.00 35.43 C ATOM 1390 CD GLU A 86 -11.074 -15.144 -5.624 1.00 54.32 C ATOM 1391 OE1 GLU A 86 -11.662 -15.964 -6.361 1.00 21.11 O ATOM 1392 OE2 GLU A 86 -11.533 -14.819 -4.501 1.00 12.14 O ATOM 0 H GLU A 86 -7.863 -13.933 -3.898 1.00 45.31 H new ATOM 0 HA GLU A 86 -9.181 -16.535 -4.100 1.00 62.45 H new ATOM 0 HB2 GLU A 86 -7.618 -14.891 -6.158 1.00 40.23 H new ATOM 0 HB3 GLU A 86 -8.586 -16.309 -6.508 1.00 40.23 H new ATOM 0 HG2 GLU A 86 -9.590 -13.582 -5.597 1.00 35.43 H new ATOM 0 HG3 GLU A 86 -9.818 -14.321 -7.169 1.00 35.43 H new ATOM 1399 N ARG A 87 -6.026 -16.337 -3.539 1.00 21.02 N ATOM 1400 CA ARG A 87 -4.689 -16.994 -3.478 1.00 44.41 C ATOM 1401 C ARG A 87 -4.390 -17.637 -2.089 1.00 53.43 C ATOM 1402 O ARG A 87 -3.415 -18.378 -1.981 1.00 53.43 O ATOM 1403 CB ARG A 87 -3.583 -15.972 -3.898 1.00 32.22 C ATOM 1404 CG ARG A 87 -2.147 -16.536 -4.131 1.00 72.00 C ATOM 1405 CD ARG A 87 -2.065 -17.712 -5.151 1.00 30.21 C ATOM 1406 NE ARG A 87 -2.379 -19.005 -4.517 1.00 30.00 N ATOM 1407 CZ ARG A 87 -2.445 -20.191 -5.116 1.00 52.35 C ATOM 1408 NH1 ARG A 87 -2.207 -20.338 -6.413 1.00 23.44 N ATOM 1409 NH2 ARG A 87 -2.764 -21.240 -4.382 1.00 51.23 N ATOM 0 H ARG A 87 -6.096 -15.496 -2.965 1.00 21.02 H new ATOM 0 HA ARG A 87 -4.692 -17.824 -4.185 1.00 44.41 H new ATOM 0 HB2 ARG A 87 -3.907 -15.481 -4.816 1.00 32.22 H new ATOM 0 HB3 ARG A 87 -3.524 -15.202 -3.129 1.00 32.22 H new ATOM 0 HG2 ARG A 87 -1.506 -15.726 -4.479 1.00 72.00 H new ATOM 0 HG3 ARG A 87 -1.745 -16.873 -3.176 1.00 72.00 H new ATOM 0 HD2 ARG A 87 -2.759 -17.531 -5.972 1.00 30.21 H new ATOM 0 HD3 ARG A 87 -1.065 -17.751 -5.582 1.00 30.21 H new ATOM 0 HE ARG A 87 -2.565 -18.989 -3.514 1.00 30.00 H new ATOM 0 HH11 ARG A 87 -1.965 -19.527 -6.982 1.00 23.44 H new ATOM 0 HH12 ARG A 87 -2.266 -21.262 -6.841 1.00 23.44 H new ATOM 0 HH21 ARG A 87 -2.951 -21.127 -3.386 1.00 51.23 H new ATOM 0 HH22 ARG A 87 -2.823 -22.164 -4.811 1.00 51.23 H new ATOM 1423 N SER A 88 -5.218 -17.343 -1.050 1.00 43.33 N ATOM 1424 CA SER A 88 -5.213 -18.047 0.288 1.00 72.35 C ATOM 1425 C SER A 88 -6.114 -17.318 1.303 1.00 3.10 C ATOM 1426 O SER A 88 -6.611 -16.223 1.042 1.00 11.13 O ATOM 1427 CB SER A 88 -3.788 -18.197 0.954 1.00 63.05 C ATOM 1428 OG SER A 88 -3.064 -19.306 0.435 1.00 30.01 O ATOM 0 H SER A 88 -5.920 -16.605 -1.106 1.00 43.33 H new ATOM 0 HA SER A 88 -5.584 -19.045 0.057 1.00 72.35 H new ATOM 0 HB2 SER A 88 -3.215 -17.284 0.791 1.00 63.05 H new ATOM 0 HB3 SER A 88 -3.903 -18.313 2.032 1.00 63.05 H new ATOM 0 HG SER A 88 -2.950 -19.199 -0.532 1.00 30.01 H new ATOM 1434 N GLU A 89 -6.334 -18.013 2.443 1.00 11.33 N ATOM 1435 CA GLU A 89 -6.631 -17.399 3.746 1.00 45.22 C ATOM 1436 C GLU A 89 -6.616 -18.482 4.851 1.00 31.54 C ATOM 1437 O GLU A 89 -7.528 -19.312 4.944 1.00 45.35 O ATOM 1438 CB GLU A 89 -7.977 -16.619 3.818 1.00 52.43 C ATOM 1439 CG GLU A 89 -8.095 -15.773 5.113 1.00 73.23 C ATOM 1440 CD GLU A 89 -9.485 -15.168 5.352 1.00 14.32 C ATOM 1441 OE1 GLU A 89 -9.857 -14.203 4.648 1.00 42.13 O ATOM 1442 OE2 GLU A 89 -10.205 -15.651 6.258 1.00 3.41 O ATOM 0 H GLU A 89 -6.308 -19.032 2.478 1.00 11.33 H new ATOM 0 HA GLU A 89 -5.846 -16.658 3.897 1.00 45.22 H new ATOM 0 HB2 GLU A 89 -8.063 -15.965 2.950 1.00 52.43 H new ATOM 0 HB3 GLU A 89 -8.807 -17.324 3.770 1.00 52.43 H new ATOM 0 HG2 GLU A 89 -7.833 -16.399 5.966 1.00 73.23 H new ATOM 0 HG3 GLU A 89 -7.363 -14.966 5.073 1.00 73.23 H new ATOM 1449 N SER A 90 -5.545 -18.480 5.643 1.00 1.25 N ATOM 1450 CA SER A 90 -5.479 -19.132 6.963 1.00 50.14 C ATOM 1451 C SER A 90 -5.029 -18.032 7.932 1.00 32.31 C ATOM 1452 O SER A 90 -5.672 -17.752 8.956 1.00 41.31 O ATOM 1453 CB SER A 90 -4.490 -20.330 6.957 1.00 60.11 C ATOM 1454 OG SER A 90 -4.371 -20.924 8.245 1.00 11.24 O ATOM 0 H SER A 90 -4.675 -18.015 5.384 1.00 1.25 H new ATOM 0 HA SER A 90 -6.441 -19.554 7.254 1.00 50.14 H new ATOM 0 HB2 SER A 90 -4.830 -21.079 6.242 1.00 60.11 H new ATOM 0 HB3 SER A 90 -3.510 -19.991 6.621 1.00 60.11 H new ATOM 0 HG SER A 90 -3.742 -21.675 8.202 1.00 11.24 H new ATOM 1460 N LEU A 91 -3.909 -17.406 7.553 1.00 53.54 N ATOM 1461 CA LEU A 91 -3.472 -16.104 8.066 1.00 22.23 C ATOM 1462 C LEU A 91 -3.121 -15.281 6.798 1.00 41.42 C ATOM 1463 O LEU A 91 -4.025 -14.696 6.206 1.00 4.13 O ATOM 1464 CB LEU A 91 -2.281 -16.280 9.088 1.00 14.35 C ATOM 1465 CG LEU A 91 -2.052 -15.140 10.161 1.00 73.10 C ATOM 1466 CD1 LEU A 91 -0.954 -15.523 11.189 1.00 41.21 C ATOM 1467 CD2 LEU A 91 -1.739 -13.760 9.521 1.00 24.25 C ATOM 0 H LEU A 91 -3.267 -17.800 6.865 1.00 53.54 H new ATOM 0 HA LEU A 91 -4.233 -15.581 8.646 1.00 22.23 H new ATOM 0 HB2 LEU A 91 -2.435 -17.217 9.623 1.00 14.35 H new ATOM 0 HB3 LEU A 91 -1.361 -16.389 8.514 1.00 14.35 H new ATOM 0 HG LEU A 91 -2.999 -15.042 10.691 1.00 73.10 H new ATOM 0 HD11 LEU A 91 -0.829 -14.712 11.907 1.00 41.21 H new ATOM 0 HD12 LEU A 91 -1.249 -16.431 11.715 1.00 41.21 H new ATOM 0 HD13 LEU A 91 -0.012 -15.695 10.668 1.00 41.21 H new ATOM 0 HD21 LEU A 91 -1.592 -13.019 10.307 1.00 24.25 H new ATOM 0 HD22 LEU A 91 -0.833 -13.835 8.919 1.00 24.25 H new ATOM 0 HD23 LEU A 91 -2.572 -13.456 8.887 1.00 24.25 H new ATOM 1479 N GLU A 92 -1.834 -15.343 6.371 1.00 12.33 N ATOM 1480 CA GLU A 92 -1.254 -14.734 5.135 1.00 52.53 C ATOM 1481 C GLU A 92 -1.889 -13.393 4.701 1.00 52.24 C ATOM 1482 O GLU A 92 -1.395 -12.324 5.034 1.00 20.41 O ATOM 1483 CB GLU A 92 -1.276 -15.725 3.924 1.00 2.01 C ATOM 1484 CG GLU A 92 -0.724 -17.135 4.202 1.00 62.42 C ATOM 1485 CD GLU A 92 -1.723 -18.057 4.927 1.00 24.35 C ATOM 1486 OE1 GLU A 92 -2.862 -18.206 4.436 1.00 24.34 O ATOM 1487 OE2 GLU A 92 -1.395 -18.590 6.011 1.00 71.11 O ATOM 0 H GLU A 92 -1.128 -15.847 6.907 1.00 12.33 H new ATOM 0 HA GLU A 92 -0.226 -14.515 5.423 1.00 52.53 H new ATOM 0 HB2 GLU A 92 -2.304 -15.820 3.575 1.00 2.01 H new ATOM 0 HB3 GLU A 92 -0.702 -15.285 3.108 1.00 2.01 H new ATOM 0 HG2 GLU A 92 -0.437 -17.596 3.257 1.00 62.42 H new ATOM 0 HG3 GLU A 92 0.181 -17.050 4.803 1.00 62.42 H new ATOM 1494 N VAL A 93 -3.027 -13.502 3.987 1.00 74.32 N ATOM 1495 CA VAL A 93 -3.692 -12.392 3.270 1.00 62.13 C ATOM 1496 C VAL A 93 -4.356 -11.387 4.228 1.00 30.41 C ATOM 1497 O VAL A 93 -4.736 -10.301 3.816 1.00 52.10 O ATOM 1498 CB VAL A 93 -4.730 -12.960 2.238 1.00 34.43 C ATOM 1499 CG1 VAL A 93 -4.051 -14.024 1.332 1.00 32.41 C ATOM 1500 CG2 VAL A 93 -5.988 -13.530 2.945 1.00 51.23 C ATOM 0 H VAL A 93 -3.524 -14.388 3.890 1.00 74.32 H new ATOM 0 HA VAL A 93 -2.921 -11.842 2.731 1.00 62.13 H new ATOM 0 HB VAL A 93 -5.072 -12.139 1.608 1.00 34.43 H new ATOM 0 HG11 VAL A 93 -4.778 -14.413 0.619 1.00 32.41 H new ATOM 0 HG12 VAL A 93 -3.222 -13.566 0.792 1.00 32.41 H new ATOM 0 HG13 VAL A 93 -3.675 -14.841 1.949 1.00 32.41 H new ATOM 0 HG21 VAL A 93 -6.683 -13.914 2.198 1.00 51.23 H new ATOM 0 HG22 VAL A 93 -5.694 -14.337 3.616 1.00 51.23 H new ATOM 0 HG23 VAL A 93 -6.472 -12.740 3.519 1.00 51.23 H new ATOM 1510 N ALA A 94 -4.570 -11.815 5.481 1.00 4.43 N ATOM 1511 CA ALA A 94 -4.944 -10.931 6.607 1.00 55.22 C ATOM 1512 C ALA A 94 -4.033 -9.683 6.689 1.00 73.35 C ATOM 1513 O ALA A 94 -4.487 -8.585 7.072 1.00 24.14 O ATOM 1514 CB ALA A 94 -4.884 -11.739 7.907 1.00 44.15 C ATOM 0 H ALA A 94 -4.489 -12.796 5.749 1.00 4.43 H new ATOM 0 HA ALA A 94 -5.958 -10.565 6.445 1.00 55.22 H new ATOM 0 HB1 ALA A 94 -5.158 -11.099 8.746 1.00 44.15 H new ATOM 0 HB2 ALA A 94 -5.579 -12.576 7.847 1.00 44.15 H new ATOM 0 HB3 ALA A 94 -3.872 -12.117 8.054 1.00 44.15 H new ATOM 1520 N PHE A 95 -2.740 -9.893 6.348 1.00 0.33 N ATOM 1521 CA PHE A 95 -1.779 -8.813 6.060 1.00 1.34 C ATOM 1522 C PHE A 95 -2.411 -7.838 5.057 1.00 64.33 C ATOM 1523 O PHE A 95 -2.682 -6.720 5.417 1.00 25.42 O ATOM 1524 CB PHE A 95 -0.478 -9.438 5.481 1.00 12.31 C ATOM 1525 CG PHE A 95 0.608 -8.469 4.976 1.00 63.52 C ATOM 1526 CD1 PHE A 95 0.600 -7.995 3.655 1.00 14.22 C ATOM 1527 CD2 PHE A 95 1.653 -8.063 5.805 1.00 14.02 C ATOM 1528 CE1 PHE A 95 1.591 -7.151 3.193 1.00 0.25 C ATOM 1529 CE2 PHE A 95 2.645 -7.221 5.337 1.00 31.35 C ATOM 1530 CZ PHE A 95 2.613 -6.766 4.035 1.00 41.33 C ATOM 0 H PHE A 95 -2.336 -10.826 6.266 1.00 0.33 H new ATOM 0 HA PHE A 95 -1.530 -8.266 6.969 1.00 1.34 H new ATOM 0 HB2 PHE A 95 -0.035 -10.069 6.252 1.00 12.31 H new ATOM 0 HB3 PHE A 95 -0.757 -10.092 4.655 1.00 12.31 H new ATOM 0 HD1 PHE A 95 -0.195 -8.295 2.988 1.00 14.22 H new ATOM 0 HD2 PHE A 95 1.688 -8.411 6.827 1.00 14.02 H new ATOM 0 HE1 PHE A 95 1.566 -6.793 2.174 1.00 0.25 H new ATOM 0 HE2 PHE A 95 3.448 -6.918 5.993 1.00 31.35 H new ATOM 0 HZ PHE A 95 3.389 -6.107 3.675 1.00 41.33 H new ATOM 1540 N VAL A 96 -2.686 -8.333 3.825 1.00 33.01 N ATOM 1541 CA VAL A 96 -3.195 -7.520 2.675 1.00 32.44 C ATOM 1542 C VAL A 96 -4.518 -6.795 3.035 1.00 54.01 C ATOM 1543 O VAL A 96 -4.758 -5.660 2.604 1.00 10.35 O ATOM 1544 CB VAL A 96 -3.392 -8.419 1.380 1.00 3.24 C ATOM 1545 CG1 VAL A 96 -3.936 -7.601 0.163 1.00 64.00 C ATOM 1546 CG2 VAL A 96 -2.079 -9.187 1.034 1.00 15.31 C ATOM 0 H VAL A 96 -2.562 -9.318 3.592 1.00 33.01 H new ATOM 0 HA VAL A 96 -2.442 -6.762 2.457 1.00 32.44 H new ATOM 0 HB VAL A 96 -4.159 -9.159 1.609 1.00 3.24 H new ATOM 0 HG11 VAL A 96 -4.053 -8.261 -0.696 1.00 64.00 H new ATOM 0 HG12 VAL A 96 -4.902 -7.165 0.420 1.00 64.00 H new ATOM 0 HG13 VAL A 96 -3.233 -6.805 -0.084 1.00 64.00 H new ATOM 0 HG21 VAL A 96 -2.237 -9.796 0.144 1.00 15.31 H new ATOM 0 HG22 VAL A 96 -1.278 -8.472 0.847 1.00 15.31 H new ATOM 0 HG23 VAL A 96 -1.803 -9.830 1.869 1.00 15.31 H new ATOM 1556 N THR A 97 -5.355 -7.457 3.853 1.00 42.12 N ATOM 1557 CA THR A 97 -6.620 -6.896 4.347 1.00 33.41 C ATOM 1558 C THR A 97 -6.328 -5.647 5.199 1.00 43.14 C ATOM 1559 O THR A 97 -6.561 -4.500 4.764 1.00 30.34 O ATOM 1560 CB THR A 97 -7.369 -7.986 5.205 1.00 23.30 C ATOM 1561 OG1 THR A 97 -7.531 -9.184 4.416 1.00 24.04 O ATOM 1562 CG2 THR A 97 -8.732 -7.503 5.722 1.00 32.12 C ATOM 0 H THR A 97 -5.170 -8.402 4.191 1.00 42.12 H new ATOM 0 HA THR A 97 -7.254 -6.607 3.508 1.00 33.41 H new ATOM 0 HB THR A 97 -6.758 -8.191 6.084 1.00 23.30 H new ATOM 0 HG1 THR A 97 -6.670 -9.647 4.344 1.00 24.04 H new ATOM 0 HG21 THR A 97 -9.201 -8.295 6.306 1.00 32.12 H new ATOM 0 HG22 THR A 97 -8.592 -6.623 6.350 1.00 32.12 H new ATOM 0 HG23 THR A 97 -9.372 -7.247 4.877 1.00 32.12 H new ATOM 1570 N GLN A 98 -5.639 -5.896 6.330 1.00 45.32 N ATOM 1571 CA GLN A 98 -5.297 -4.865 7.334 1.00 63.53 C ATOM 1572 C GLN A 98 -4.443 -3.744 6.682 1.00 62.22 C ATOM 1573 O GLN A 98 -4.507 -2.571 7.067 1.00 5.15 O ATOM 1574 CB GLN A 98 -4.530 -5.551 8.504 1.00 14.31 C ATOM 1575 CG GLN A 98 -4.287 -4.676 9.747 1.00 3.34 C ATOM 1576 CD GLN A 98 -3.644 -5.445 10.911 1.00 14.21 C ATOM 1577 OE1 GLN A 98 -2.874 -6.387 10.717 1.00 60.12 O ATOM 1578 NE2 GLN A 98 -3.978 -5.054 12.134 1.00 34.23 N ATOM 0 H GLN A 98 -5.300 -6.826 6.576 1.00 45.32 H new ATOM 0 HA GLN A 98 -6.203 -4.401 7.723 1.00 63.53 H new ATOM 0 HB2 GLN A 98 -5.087 -6.437 8.809 1.00 14.31 H new ATOM 0 HB3 GLN A 98 -3.565 -5.894 8.130 1.00 14.31 H new ATOM 0 HG2 GLN A 98 -3.645 -3.839 9.474 1.00 3.34 H new ATOM 0 HG3 GLN A 98 -5.236 -4.255 10.078 1.00 3.34 H new ATOM 0 HE21 GLN A 98 -4.618 -4.270 12.262 1.00 34.23 H new ATOM 0 HE22 GLN A 98 -3.595 -5.537 12.946 1.00 34.23 H new ATOM 1587 N LEU A 99 -3.685 -4.178 5.651 1.00 34.55 N ATOM 1588 CA LEU A 99 -2.748 -3.350 4.894 1.00 1.41 C ATOM 1589 C LEU A 99 -3.520 -2.298 4.104 1.00 24.20 C ATOM 1590 O LEU A 99 -3.322 -1.120 4.300 1.00 73.35 O ATOM 1591 CB LEU A 99 -1.867 -4.215 3.912 1.00 55.43 C ATOM 1592 CG LEU A 99 -0.376 -3.760 3.725 1.00 44.24 C ATOM 1593 CD1 LEU A 99 -0.255 -2.308 3.219 1.00 72.50 C ATOM 1594 CD2 LEU A 99 0.435 -4.011 5.029 1.00 53.22 C ATOM 0 H LEU A 99 -3.716 -5.143 5.321 1.00 34.55 H new ATOM 0 HA LEU A 99 -2.077 -2.866 5.603 1.00 1.41 H new ATOM 0 HB2 LEU A 99 -1.867 -5.244 4.270 1.00 55.43 H new ATOM 0 HB3 LEU A 99 -2.348 -4.218 2.934 1.00 55.43 H new ATOM 0 HG LEU A 99 0.062 -4.374 2.938 1.00 44.24 H new ATOM 0 HD11 LEU A 99 0.798 -2.048 3.108 1.00 72.50 H new ATOM 0 HD12 LEU A 99 -0.755 -2.216 2.255 1.00 72.50 H new ATOM 0 HD13 LEU A 99 -0.722 -1.633 3.936 1.00 72.50 H new ATOM 0 HD21 LEU A 99 1.467 -3.690 4.883 1.00 53.22 H new ATOM 0 HD22 LEU A 99 -0.009 -3.445 5.848 1.00 53.22 H new ATOM 0 HD23 LEU A 99 0.416 -5.074 5.270 1.00 53.22 H new ATOM 1606 N VAL A 100 -4.415 -2.758 3.232 1.00 42.24 N ATOM 1607 CA VAL A 100 -5.143 -1.882 2.311 1.00 14.03 C ATOM 1608 C VAL A 100 -6.104 -0.989 3.071 1.00 75.52 C ATOM 1609 O VAL A 100 -6.303 0.114 2.601 1.00 30.51 O ATOM 1610 CB VAL A 100 -5.887 -2.648 1.159 1.00 43.15 C ATOM 1611 CG1 VAL A 100 -4.907 -3.450 0.283 1.00 23.00 C ATOM 1612 CG2 VAL A 100 -7.087 -3.487 1.637 1.00 42.55 C ATOM 0 H VAL A 100 -4.657 -3.745 3.143 1.00 42.24 H new ATOM 0 HA VAL A 100 -4.388 -1.268 1.820 1.00 14.03 H new ATOM 0 HB VAL A 100 -6.328 -1.878 0.526 1.00 43.15 H new ATOM 0 HG11 VAL A 100 -5.459 -3.966 -0.502 1.00 23.00 H new ATOM 0 HG12 VAL A 100 -4.183 -2.771 -0.168 1.00 23.00 H new ATOM 0 HG13 VAL A 100 -4.384 -4.181 0.899 1.00 23.00 H new ATOM 0 HG21 VAL A 100 -7.547 -3.984 0.783 1.00 42.55 H new ATOM 0 HG22 VAL A 100 -6.746 -4.235 2.352 1.00 42.55 H new ATOM 0 HG23 VAL A 100 -7.819 -2.836 2.115 1.00 42.55 H new ATOM 1622 N LYS A 101 -6.696 -1.433 4.243 1.00 53.42 N ATOM 1623 CA LYS A 101 -7.486 -0.473 5.087 1.00 73.52 C ATOM 1624 C LYS A 101 -6.552 0.627 5.592 1.00 65.45 C ATOM 1625 O LYS A 101 -6.739 1.814 5.278 1.00 53.21 O ATOM 1626 CB LYS A 101 -8.238 -1.131 6.315 1.00 54.54 C ATOM 1627 CG LYS A 101 -9.500 -1.931 5.936 1.00 11.20 C ATOM 1628 CD LYS A 101 -9.199 -3.397 5.650 1.00 63.21 C ATOM 1629 CE LYS A 101 -10.339 -4.109 4.940 1.00 23.14 C ATOM 1630 NZ LYS A 101 -11.601 -4.109 5.730 1.00 55.35 N ATOM 0 H LYS A 101 -6.643 -2.387 4.600 1.00 53.42 H new ATOM 0 HA LYS A 101 -8.270 -0.076 4.442 1.00 73.52 H new ATOM 0 HB2 LYS A 101 -7.546 -1.793 6.836 1.00 54.54 H new ATOM 0 HB3 LYS A 101 -8.518 -0.346 7.017 1.00 54.54 H new ATOM 0 HG2 LYS A 101 -10.225 -1.864 6.747 1.00 11.20 H new ATOM 0 HG3 LYS A 101 -9.961 -1.480 5.057 1.00 11.20 H new ATOM 0 HD2 LYS A 101 -8.299 -3.465 5.039 1.00 63.21 H new ATOM 0 HD3 LYS A 101 -8.987 -3.909 6.589 1.00 63.21 H new ATOM 0 HE2 LYS A 101 -10.518 -3.629 3.978 1.00 23.14 H new ATOM 0 HE3 LYS A 101 -10.046 -5.138 4.733 1.00 23.14 H new ATOM 0 HZ1 LYS A 101 -12.334 -4.636 5.214 1.00 55.35 H new ATOM 0 HZ2 LYS A 101 -11.434 -4.561 6.652 1.00 55.35 H new ATOM 0 HZ3 LYS A 101 -11.918 -3.130 5.877 1.00 55.35 H new ATOM 1644 N LYS A 102 -5.510 0.213 6.330 1.00 50.14 N ATOM 1645 CA LYS A 102 -4.588 1.161 7.015 1.00 73.22 C ATOM 1646 C LYS A 102 -3.959 2.167 6.016 1.00 14.23 C ATOM 1647 O LYS A 102 -4.004 3.381 6.230 1.00 3.42 O ATOM 1648 CB LYS A 102 -3.467 0.375 7.750 1.00 41.24 C ATOM 1649 CG LYS A 102 -2.661 1.183 8.802 1.00 20.22 C ATOM 1650 CD LYS A 102 -3.531 1.590 10.025 1.00 11.40 C ATOM 1651 CE LYS A 102 -2.730 2.277 11.143 1.00 44.35 C ATOM 1652 NZ LYS A 102 -2.106 3.539 10.683 1.00 2.31 N ATOM 0 H LYS A 102 -5.277 -0.770 6.474 1.00 50.14 H new ATOM 0 HA LYS A 102 -5.172 1.728 7.740 1.00 73.22 H new ATOM 0 HB2 LYS A 102 -3.916 -0.486 8.245 1.00 41.24 H new ATOM 0 HB3 LYS A 102 -2.772 -0.013 7.005 1.00 41.24 H new ATOM 0 HG2 LYS A 102 -1.814 0.588 9.143 1.00 20.22 H new ATOM 0 HG3 LYS A 102 -2.253 2.079 8.334 1.00 20.22 H new ATOM 0 HD2 LYS A 102 -4.323 2.260 9.691 1.00 11.40 H new ATOM 0 HD3 LYS A 102 -4.015 0.701 10.429 1.00 11.40 H new ATOM 0 HE2 LYS A 102 -3.389 2.485 11.986 1.00 44.35 H new ATOM 0 HE3 LYS A 102 -1.956 1.600 11.503 1.00 44.35 H new ATOM 0 HZ1 LYS A 102 -1.590 3.979 11.472 1.00 2.31 H new ATOM 0 HZ2 LYS A 102 -1.445 3.336 9.906 1.00 2.31 H new ATOM 0 HZ3 LYS A 102 -2.845 4.190 10.348 1.00 2.31 H new ATOM 1666 N LEU A 103 -3.453 1.616 4.897 1.00 31.44 N ATOM 1667 CA LEU A 103 -2.687 2.355 3.881 1.00 31.25 C ATOM 1668 C LEU A 103 -3.619 3.233 3.022 1.00 65.12 C ATOM 1669 O LEU A 103 -3.215 4.327 2.610 1.00 54.44 O ATOM 1670 CB LEU A 103 -1.855 1.373 2.994 1.00 1.42 C ATOM 1671 CG LEU A 103 -0.907 2.034 1.936 1.00 72.32 C ATOM 1672 CD1 LEU A 103 0.131 2.971 2.611 1.00 4.22 C ATOM 1673 CD2 LEU A 103 -0.210 0.965 1.050 1.00 22.31 C ATOM 0 H LEU A 103 -3.568 0.628 4.672 1.00 31.44 H new ATOM 0 HA LEU A 103 -1.988 3.017 4.393 1.00 31.25 H new ATOM 0 HB2 LEU A 103 -1.252 0.745 3.650 1.00 1.42 H new ATOM 0 HB3 LEU A 103 -2.547 0.714 2.470 1.00 1.42 H new ATOM 0 HG LEU A 103 -1.527 2.647 1.282 1.00 72.32 H new ATOM 0 HD11 LEU A 103 0.772 3.413 1.848 1.00 4.22 H new ATOM 0 HD12 LEU A 103 -0.390 3.762 3.150 1.00 4.22 H new ATOM 0 HD13 LEU A 103 0.740 2.396 3.309 1.00 4.22 H new ATOM 0 HD21 LEU A 103 0.440 1.459 0.328 1.00 22.31 H new ATOM 0 HD22 LEU A 103 0.384 0.302 1.679 1.00 22.31 H new ATOM 0 HD23 LEU A 103 -0.964 0.383 0.521 1.00 22.31 H new ATOM 1685 N LEU A 104 -4.868 2.748 2.740 1.00 2.40 N ATOM 1686 CA LEU A 104 -5.894 3.585 2.059 1.00 1.42 C ATOM 1687 C LEU A 104 -6.159 4.836 2.895 1.00 31.05 C ATOM 1688 O LEU A 104 -6.145 5.955 2.373 1.00 0.30 O ATOM 1689 CB LEU A 104 -7.244 2.833 1.844 1.00 21.11 C ATOM 1690 CG LEU A 104 -8.398 3.654 1.171 1.00 42.44 C ATOM 1691 CD1 LEU A 104 -8.008 4.128 -0.249 1.00 15.02 C ATOM 1692 CD2 LEU A 104 -9.729 2.855 1.175 1.00 21.31 C ATOM 0 H LEU A 104 -5.178 1.804 2.970 1.00 2.40 H new ATOM 0 HA LEU A 104 -5.498 3.840 1.076 1.00 1.42 H new ATOM 0 HB2 LEU A 104 -7.051 1.951 1.233 1.00 21.11 H new ATOM 0 HB3 LEU A 104 -7.596 2.479 2.813 1.00 21.11 H new ATOM 0 HG LEU A 104 -8.558 4.552 1.768 1.00 42.44 H new ATOM 0 HD11 LEU A 104 -8.833 4.693 -0.683 1.00 15.02 H new ATOM 0 HD12 LEU A 104 -7.124 4.763 -0.191 1.00 15.02 H new ATOM 0 HD13 LEU A 104 -7.792 3.262 -0.875 1.00 15.02 H new ATOM 0 HD21 LEU A 104 -10.511 3.449 0.702 1.00 21.31 H new ATOM 0 HD22 LEU A 104 -9.596 1.924 0.623 1.00 21.31 H new ATOM 0 HD23 LEU A 104 -10.015 2.630 2.202 1.00 21.31 H new ATOM 1704 N ILE A 105 -6.363 4.622 4.202 1.00 12.03 N ATOM 1705 CA ILE A 105 -6.626 5.706 5.158 1.00 35.21 C ATOM 1706 C ILE A 105 -5.438 6.694 5.214 1.00 42.23 C ATOM 1707 O ILE A 105 -5.645 7.898 5.242 1.00 72.02 O ATOM 1708 CB ILE A 105 -6.979 5.116 6.581 1.00 11.15 C ATOM 1709 CG1 ILE A 105 -8.325 4.283 6.505 1.00 22.13 C ATOM 1710 CG2 ILE A 105 -7.081 6.247 7.665 1.00 64.23 C ATOM 1711 CD1 ILE A 105 -8.694 3.525 7.793 1.00 44.23 C ATOM 0 H ILE A 105 -6.350 3.694 4.626 1.00 12.03 H new ATOM 0 HA ILE A 105 -7.493 6.271 4.816 1.00 35.21 H new ATOM 0 HB ILE A 105 -6.170 4.451 6.883 1.00 11.15 H new ATOM 0 HG12 ILE A 105 -9.141 4.961 6.254 1.00 22.13 H new ATOM 0 HG13 ILE A 105 -8.245 3.565 5.689 1.00 22.13 H new ATOM 0 HG21 ILE A 105 -7.325 5.804 8.631 1.00 64.23 H new ATOM 0 HG22 ILE A 105 -6.127 6.770 7.736 1.00 64.23 H new ATOM 0 HG23 ILE A 105 -7.862 6.953 7.382 1.00 64.23 H new ATOM 0 HD11 ILE A 105 -9.629 2.986 7.643 1.00 44.23 H new ATOM 0 HD12 ILE A 105 -7.902 2.817 8.038 1.00 44.23 H new ATOM 0 HD13 ILE A 105 -8.812 4.235 8.612 1.00 44.23 H new ATOM 1723 N ILE A 106 -4.200 6.158 5.189 1.00 63.35 N ATOM 1724 CA ILE A 106 -2.963 6.975 5.154 1.00 54.11 C ATOM 1725 C ILE A 106 -2.959 7.974 3.960 1.00 51.44 C ATOM 1726 O ILE A 106 -2.758 9.176 4.164 1.00 71.10 O ATOM 1727 CB ILE A 106 -1.663 6.072 5.100 1.00 12.24 C ATOM 1728 CG1 ILE A 106 -1.483 5.270 6.427 1.00 42.32 C ATOM 1729 CG2 ILE A 106 -0.389 6.904 4.781 1.00 60.22 C ATOM 1730 CD1 ILE A 106 -0.347 4.258 6.412 1.00 73.32 C ATOM 0 H ILE A 106 -4.027 5.153 5.192 1.00 63.35 H new ATOM 0 HA ILE A 106 -2.950 7.547 6.082 1.00 54.11 H new ATOM 0 HB ILE A 106 -1.800 5.362 4.285 1.00 12.24 H new ATOM 0 HG12 ILE A 106 -1.312 5.975 7.241 1.00 42.32 H new ATOM 0 HG13 ILE A 106 -2.414 4.747 6.648 1.00 42.32 H new ATOM 0 HG21 ILE A 106 0.479 6.245 4.754 1.00 60.22 H new ATOM 0 HG22 ILE A 106 -0.505 7.391 3.813 1.00 60.22 H new ATOM 0 HG23 ILE A 106 -0.246 7.660 5.553 1.00 60.22 H new ATOM 0 HD11 ILE A 106 -0.299 3.750 7.375 1.00 73.32 H new ATOM 0 HD12 ILE A 106 -0.523 3.526 5.624 1.00 73.32 H new ATOM 0 HD13 ILE A 106 0.596 4.772 6.226 1.00 73.32 H new ATOM 1742 N ILE A 107 -3.195 7.470 2.730 1.00 72.33 N ATOM 1743 CA ILE A 107 -3.065 8.283 1.489 1.00 14.54 C ATOM 1744 C ILE A 107 -4.377 9.004 1.109 1.00 53.34 C ATOM 1745 O ILE A 107 -4.370 9.876 0.231 1.00 11.41 O ATOM 1746 CB ILE A 107 -2.499 7.409 0.284 1.00 40.44 C ATOM 1747 CG1 ILE A 107 -3.367 6.121 -0.024 1.00 12.22 C ATOM 1748 CG2 ILE A 107 -1.016 7.022 0.568 1.00 72.12 C ATOM 1749 CD1 ILE A 107 -4.600 6.319 -0.911 1.00 70.40 C ATOM 0 H ILE A 107 -3.477 6.504 2.564 1.00 72.33 H new ATOM 0 HA ILE A 107 -2.339 9.068 1.701 1.00 14.54 H new ATOM 0 HB ILE A 107 -2.557 8.027 -0.612 1.00 40.44 H new ATOM 0 HG12 ILE A 107 -2.722 5.381 -0.498 1.00 12.22 H new ATOM 0 HG13 ILE A 107 -3.695 5.697 0.925 1.00 12.22 H new ATOM 0 HG21 ILE A 107 -0.631 6.424 -0.258 1.00 72.12 H new ATOM 0 HG22 ILE A 107 -0.417 7.927 0.671 1.00 72.12 H new ATOM 0 HG23 ILE A 107 -0.961 6.444 1.491 1.00 72.12 H new ATOM 0 HD11 ILE A 107 -5.108 5.364 -1.047 1.00 70.40 H new ATOM 0 HD12 ILE A 107 -5.279 7.027 -0.437 1.00 70.40 H new ATOM 0 HD13 ILE A 107 -4.291 6.707 -1.882 1.00 70.40 H new ATOM 1761 N SER A 108 -5.494 8.642 1.772 1.00 4.33 N ATOM 1762 CA SER A 108 -6.815 9.244 1.504 1.00 62.32 C ATOM 1763 C SER A 108 -7.415 9.810 2.814 1.00 12.45 C ATOM 1764 O SER A 108 -7.868 9.052 3.687 1.00 74.04 O ATOM 1765 CB SER A 108 -7.767 8.200 0.852 1.00 62.35 C ATOM 1766 OG SER A 108 -9.000 8.784 0.440 1.00 20.23 O ATOM 0 H SER A 108 -5.506 7.930 2.502 1.00 4.33 H new ATOM 0 HA SER A 108 -6.694 10.068 0.801 1.00 62.32 H new ATOM 0 HB2 SER A 108 -7.274 7.749 -0.009 1.00 62.35 H new ATOM 0 HB3 SER A 108 -7.966 7.398 1.562 1.00 62.35 H new ATOM 0 HG SER A 108 -9.568 8.096 0.034 1.00 20.23 H new ATOM 1772 N ARG A 109 -7.345 11.159 2.932 1.00 31.32 N ATOM 1773 CA ARG A 109 -8.019 11.971 3.979 1.00 13.43 C ATOM 1774 C ARG A 109 -7.516 11.658 5.433 1.00 41.24 C ATOM 1775 O ARG A 109 -8.306 11.851 6.367 1.00 0.33 O ATOM 1776 CB ARG A 109 -9.568 11.749 3.895 1.00 5.21 C ATOM 1777 CG ARG A 109 -10.191 11.879 2.482 1.00 5.51 C ATOM 1778 CD ARG A 109 -11.644 11.379 2.458 1.00 11.21 C ATOM 1779 NE ARG A 109 -12.223 11.371 1.101 1.00 20.53 N ATOM 1780 CZ ARG A 109 -12.617 10.275 0.422 1.00 42.23 C ATOM 1781 NH1 ARG A 109 -12.493 9.056 0.940 1.00 65.00 N ATOM 1782 NH2 ARG A 109 -13.188 10.417 -0.761 1.00 2.02 N ATOM 0 H ARG A 109 -6.803 11.730 2.283 1.00 31.32 H new ATOM 0 HA ARG A 109 -7.767 13.013 3.782 1.00 13.43 H new ATOM 0 HB2 ARG A 109 -9.795 10.756 4.282 1.00 5.21 H new ATOM 0 HB3 ARG A 109 -10.056 12.467 4.554 1.00 5.21 H new ATOM 0 HG2 ARG A 109 -10.159 12.921 2.164 1.00 5.51 H new ATOM 0 HG3 ARG A 109 -9.597 11.309 1.768 1.00 5.51 H new ATOM 0 HD2 ARG A 109 -11.684 10.371 2.871 1.00 11.21 H new ATOM 0 HD3 ARG A 109 -12.252 12.012 3.104 1.00 11.21 H new ATOM 0 HE ARG A 109 -12.335 12.272 0.637 1.00 20.53 H new ATOM 0 HH11 ARG A 109 -12.093 8.936 1.870 1.00 65.00 H new ATOM 0 HH12 ARG A 109 -12.798 8.242 0.407 1.00 65.00 H new ATOM 0 HH21 ARG A 109 -13.327 11.349 -1.152 1.00 2.02 H new ATOM 0 HH22 ARG A 109 -13.490 9.595 -1.284 1.00 2.02 H new ATOM 1796 N PRO A 110 -6.172 11.333 5.645 1.00 62.23 N ATOM 1797 CA PRO A 110 -5.638 10.571 6.820 1.00 11.42 C ATOM 1798 C PRO A 110 -6.534 10.555 8.086 1.00 35.04 C ATOM 1799 O PRO A 110 -7.160 9.535 8.417 1.00 74.21 O ATOM 1800 CB PRO A 110 -4.283 11.277 7.079 1.00 22.31 C ATOM 1801 CG PRO A 110 -3.812 11.759 5.729 1.00 41.32 C ATOM 1802 CD PRO A 110 -5.024 11.771 4.794 1.00 22.32 C ATOM 0 HA PRO A 110 -5.571 9.506 6.597 1.00 11.42 H new ATOM 0 HB2 PRO A 110 -4.401 12.109 7.773 1.00 22.31 H new ATOM 0 HB3 PRO A 110 -3.562 10.591 7.524 1.00 22.31 H new ATOM 0 HG2 PRO A 110 -3.379 12.756 5.808 1.00 41.32 H new ATOM 0 HG3 PRO A 110 -3.033 11.104 5.339 1.00 41.32 H new ATOM 0 HD2 PRO A 110 -5.195 12.765 4.382 1.00 22.32 H new ATOM 0 HD3 PRO A 110 -4.878 11.097 3.950 1.00 22.32 H new ATOM 1810 N ALA A 111 -6.640 11.725 8.729 1.00 50.52 N ATOM 1811 CA ALA A 111 -7.465 11.943 9.926 1.00 44.41 C ATOM 1812 C ALA A 111 -7.725 13.454 10.080 1.00 72.02 C ATOM 1813 O ALA A 111 -7.381 14.246 9.185 1.00 73.42 O ATOM 1814 CB ALA A 111 -6.790 11.340 11.177 1.00 22.15 C ATOM 0 H ALA A 111 -6.145 12.564 8.426 1.00 50.52 H new ATOM 0 HA ALA A 111 -8.422 11.433 9.815 1.00 44.41 H new ATOM 0 HB1 ALA A 111 -7.419 11.514 12.050 1.00 22.15 H new ATOM 0 HB2 ALA A 111 -6.654 10.268 11.036 1.00 22.15 H new ATOM 0 HB3 ALA A 111 -5.819 11.812 11.330 1.00 22.15 H new ATOM 1820 N ARG A 112 -8.339 13.854 11.206 1.00 65.25 N ATOM 1821 CA ARG A 112 -8.670 15.262 11.492 1.00 63.15 C ATOM 1822 C ARG A 112 -8.638 15.498 13.031 1.00 32.01 C ATOM 1823 O ARG A 112 -9.641 15.235 13.730 1.00 43.22 O ATOM 1824 CB ARG A 112 -10.039 15.635 10.814 1.00 34.45 C ATOM 1825 CG ARG A 112 -11.175 14.594 10.992 1.00 54.33 C ATOM 1826 CD ARG A 112 -12.422 14.913 10.144 1.00 55.20 C ATOM 1827 NE ARG A 112 -12.127 14.878 8.696 1.00 54.12 N ATOM 1828 CZ ARG A 112 -12.797 15.542 7.738 1.00 4.21 C ATOM 1829 NH1 ARG A 112 -13.830 16.334 8.034 1.00 52.00 N ATOM 1830 NH2 ARG A 112 -12.409 15.410 6.476 1.00 34.34 N ATOM 1831 OXT ARG A 112 -7.563 15.898 13.541 1.00 38.04 O ATOM 0 H ARG A 112 -8.621 13.210 11.945 1.00 65.25 H new ATOM 0 HA ARG A 112 -7.928 15.934 11.061 1.00 63.15 H new ATOM 0 HB2 ARG A 112 -10.377 16.589 11.218 1.00 34.45 H new ATOM 0 HB3 ARG A 112 -9.869 15.783 9.748 1.00 34.45 H new ATOM 0 HG2 ARG A 112 -10.801 13.607 10.721 1.00 54.33 H new ATOM 0 HG3 ARG A 112 -11.459 14.550 12.043 1.00 54.33 H new ATOM 0 HD2 ARG A 112 -13.209 14.195 10.372 1.00 55.20 H new ATOM 0 HD3 ARG A 112 -12.802 15.898 10.413 1.00 55.20 H new ATOM 0 HE ARG A 112 -11.344 14.297 8.396 1.00 54.12 H new ATOM 0 HH11 ARG A 112 -14.126 16.445 9.004 1.00 52.00 H new ATOM 0 HH12 ARG A 112 -14.323 16.828 7.290 1.00 52.00 H new ATOM 0 HH21 ARG A 112 -11.615 14.813 6.246 1.00 34.34 H new ATOM 0 HH22 ARG A 112 -12.905 15.906 5.735 1.00 34.34 H new TER 1845 ARG A 112