USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 615 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 31 THR OG1 : rot -134:sc= 0.676 USER MOD Set 1.2: A 46 THR OG1 : rot -150:sc= 0.0676 USER MOD Set 2.1: A 22 GLN : amide:sc= 0.663 K(o=2.7,f=-5.6!) USER MOD Set 2.2: A 23 LYS NZ :NH3+ -173:sc= 2.01 (180deg=1.09) USER MOD Single : A 1 MET CE :methyl -128:sc= -0.155 (180deg=-0.711) USER MOD Single : A 5 GLN : amide:sc= 0.139 X(o=0.14,f=-0.17) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.36) USER MOD Single : A -9 HIS : no HE2:sc= 0.82 K(o=0.82,f=-5!) USER MOD Single : A 10 CYS SG : rot 93:sc= 1.18 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.235 K(o=0.23,f=-2) USER MOD Single : A 29 GLN : amide:sc= 0.179 K(o=0.18,f=-0.74) USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0563) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.112 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0147 USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -12 SER OG : rot 180:sc= 0 USER MOD Single : A -14 MET CE :methyl -161:sc= -0.127 (180deg=-0.602) USER MOD Single : A -14 MET N :NH3+ -178:sc= -0.153 (180deg=-0.155) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -14 58.407 20.841 44.286 1.00 0.00 N ATOM 2 CA MET A -14 57.917 21.825 43.297 1.00 0.00 C ATOM 3 C MET A -14 56.396 21.839 43.231 1.00 0.00 C ATOM 4 O MET A -14 55.820 22.559 42.413 1.00 0.00 O ATOM 5 CB MET A -14 58.481 21.521 41.906 1.00 0.00 C ATOM 6 CG MET A -14 59.956 21.828 41.758 1.00 0.00 C ATOM 7 SD MET A -14 60.325 23.574 42.023 1.00 0.00 S ATOM 8 CE MET A -14 59.412 24.328 40.676 1.00 0.00 C ATOM 0 H1 MET A -14 59.445 20.881 44.330 1.00 0.00 H new ATOM 0 H2 MET A -14 58.012 21.063 45.222 1.00 0.00 H new ATOM 0 H3 MET A -14 58.109 19.886 44.002 1.00 0.00 H new ATOM 0 HA MET A -14 58.261 22.807 43.622 1.00 0.00 H new ATOM 0 HB2 MET A -14 58.315 20.467 41.681 1.00 0.00 H new ATOM 0 HB3 MET A -14 57.925 22.097 41.166 1.00 0.00 H new ATOM 0 HG2 MET A -14 60.523 21.228 42.470 1.00 0.00 H new ATOM 0 HG3 MET A -14 60.287 21.537 40.761 1.00 0.00 H new ATOM 0 HE1 MET A -14 59.795 25.332 40.494 1.00 0.00 H new ATOM 0 HE2 MET A -14 59.529 23.726 39.775 1.00 0.00 H new ATOM 0 HE3 MET A -14 58.356 24.385 40.939 1.00 0.00 H new ATOM 20 N ALA A -13 55.744 21.040 44.092 1.00 0.00 N ATOM 21 CA ALA A -13 54.284 20.919 44.096 1.00 0.00 C ATOM 22 C ALA A -13 53.796 20.401 42.741 1.00 0.00 C ATOM 23 O ALA A -13 54.584 19.865 41.954 1.00 0.00 O ATOM 24 CB ALA A -13 53.629 22.260 44.441 1.00 0.00 C ATOM 0 H ALA A -13 56.211 20.468 44.795 1.00 0.00 H new ATOM 0 HA ALA A -13 53.994 20.201 44.864 1.00 0.00 H new ATOM 0 HB1 ALA A -13 52.545 22.147 44.438 1.00 0.00 H new ATOM 0 HB2 ALA A -13 53.958 22.582 45.429 1.00 0.00 H new ATOM 0 HB3 ALA A -13 53.918 23.007 43.701 1.00 0.00 H new ATOM 30 N SER A -12 52.515 20.529 42.477 1.00 0.00 N ATOM 31 CA SER A -12 51.977 20.102 41.208 1.00 0.00 C ATOM 32 C SER A -12 51.937 21.283 40.250 1.00 0.00 C ATOM 33 O SER A -12 51.310 22.310 40.537 1.00 0.00 O ATOM 34 CB SER A -12 50.575 19.498 41.384 1.00 0.00 C ATOM 35 OG SER A -12 50.089 18.940 40.167 1.00 0.00 O ATOM 0 H SER A -12 51.830 20.924 43.122 1.00 0.00 H new ATOM 0 HA SER A -12 52.622 19.328 40.793 1.00 0.00 H new ATOM 0 HB2 SER A -12 50.604 18.726 42.153 1.00 0.00 H new ATOM 0 HB3 SER A -12 49.887 20.269 41.732 1.00 0.00 H new ATOM 0 HG SER A -12 49.196 18.563 40.314 1.00 0.00 H new ATOM 41 N TRP A -11 52.631 21.156 39.138 1.00 0.00 N ATOM 42 CA TRP A -11 52.655 22.201 38.139 1.00 0.00 C ATOM 43 C TRP A -11 51.311 22.256 37.385 1.00 0.00 C ATOM 44 O TRP A -11 50.580 21.263 37.335 1.00 0.00 O ATOM 45 CB TRP A -11 53.833 21.992 37.161 1.00 0.00 C ATOM 46 CG TRP A -11 53.767 22.905 35.989 1.00 0.00 C ATOM 47 CD1 TRP A -11 54.023 24.244 35.978 1.00 0.00 C ATOM 48 CD2 TRP A -11 53.387 22.554 34.661 1.00 0.00 C ATOM 49 NE1 TRP A -11 53.799 24.747 34.727 1.00 0.00 N ATOM 50 CE2 TRP A -11 53.414 23.729 33.900 1.00 0.00 C ATOM 51 CE3 TRP A -11 53.021 21.355 34.043 1.00 0.00 C ATOM 52 CZ2 TRP A -11 53.085 23.747 32.560 1.00 0.00 C ATOM 53 CZ3 TRP A -11 52.699 21.375 32.701 1.00 0.00 C ATOM 54 CH2 TRP A -11 52.729 22.565 31.973 1.00 0.00 C ATOM 0 H TRP A -11 53.188 20.334 38.904 1.00 0.00 H new ATOM 0 HA TRP A -11 52.801 23.158 38.640 1.00 0.00 H new ATOM 0 HB2 TRP A -11 54.773 22.151 37.690 1.00 0.00 H new ATOM 0 HB3 TRP A -11 53.834 20.959 36.813 1.00 0.00 H new ATOM 0 HD1 TRP A -11 54.353 24.820 36.830 1.00 0.00 H new ATOM 0 HE1 TRP A -11 53.902 25.724 34.454 1.00 0.00 H new ATOM 0 HE3 TRP A -11 52.991 20.432 34.604 1.00 0.00 H new ATOM 0 HZ2 TRP A -11 53.108 24.666 31.993 1.00 0.00 H new ATOM 0 HZ3 TRP A -11 52.420 20.456 32.207 1.00 0.00 H new ATOM 0 HH2 TRP A -11 52.466 22.552 30.926 1.00 0.00 H new ATOM 65 N SER A -10 50.989 23.422 36.815 1.00 0.00 N ATOM 66 CA SER A -10 49.749 23.608 36.083 1.00 0.00 C ATOM 67 C SER A -10 49.783 22.871 34.750 1.00 0.00 C ATOM 68 O SER A -10 50.121 23.441 33.712 1.00 0.00 O ATOM 69 CB SER A -10 49.459 25.098 35.877 1.00 0.00 C ATOM 70 OG SER A -10 48.132 25.303 35.419 1.00 0.00 O ATOM 0 H SER A -10 51.581 24.252 36.852 1.00 0.00 H new ATOM 0 HA SER A -10 48.940 23.183 36.678 1.00 0.00 H new ATOM 0 HB2 SER A -10 49.610 25.634 36.814 1.00 0.00 H new ATOM 0 HB3 SER A -10 50.164 25.512 35.156 1.00 0.00 H new ATOM 0 HG SER A -10 47.973 26.262 35.297 1.00 0.00 H new ATOM 76 N HIS A -9 49.440 21.599 34.791 1.00 0.00 N ATOM 77 CA HIS A -9 49.452 20.764 33.606 1.00 0.00 C ATOM 78 C HIS A -9 48.094 20.802 32.902 1.00 0.00 C ATOM 79 O HIS A -9 47.060 20.945 33.555 1.00 0.00 O ATOM 80 CB HIS A -9 49.851 19.310 33.956 1.00 0.00 C ATOM 81 CG HIS A -9 48.913 18.606 34.901 1.00 0.00 C ATOM 82 ND1 HIS A -9 47.982 17.682 34.485 1.00 0.00 N ATOM 83 CD2 HIS A -9 48.779 18.687 36.247 1.00 0.00 C ATOM 84 CE1 HIS A -9 47.313 17.228 35.522 1.00 0.00 C ATOM 85 NE2 HIS A -9 47.775 17.819 36.607 1.00 0.00 N ATOM 0 H HIS A -9 49.147 21.117 35.641 1.00 0.00 H new ATOM 0 HA HIS A -9 50.201 21.161 32.921 1.00 0.00 H new ATOM 0 HB2 HIS A -9 49.914 18.734 33.033 1.00 0.00 H new ATOM 0 HB3 HIS A -9 50.848 19.318 34.396 1.00 0.00 H new ATOM 0 HD1 HIS A -9 47.833 17.393 33.518 1.00 0.00 H new ATOM 0 HD2 HIS A -9 49.353 19.315 36.912 1.00 0.00 H new ATOM 0 HE1 HIS A -9 46.520 16.496 35.491 1.00 0.00 H new ATOM 93 N PRO A -8 48.082 20.679 31.563 1.00 0.00 N ATOM 94 CA PRO A -8 46.845 20.700 30.764 1.00 0.00 C ATOM 95 C PRO A -8 46.090 19.381 30.861 1.00 0.00 C ATOM 96 O PRO A -8 45.828 18.733 29.848 1.00 0.00 O ATOM 97 CB PRO A -8 47.351 20.910 29.321 1.00 0.00 C ATOM 98 CG PRO A -8 48.825 21.147 29.431 1.00 0.00 C ATOM 99 CD PRO A -8 49.259 20.509 30.710 1.00 0.00 C ATOM 0 HA PRO A -8 46.151 21.469 31.103 1.00 0.00 H new ATOM 0 HB2 PRO A -8 47.141 20.037 28.703 1.00 0.00 H new ATOM 0 HB3 PRO A -8 46.853 21.759 28.853 1.00 0.00 H new ATOM 0 HG2 PRO A -8 49.353 20.713 28.582 1.00 0.00 H new ATOM 0 HG3 PRO A -8 49.048 22.214 29.434 1.00 0.00 H new ATOM 0 HD2 PRO A -8 49.513 19.458 30.574 1.00 0.00 H new ATOM 0 HD3 PRO A -8 50.138 20.998 31.129 1.00 0.00 H new ATOM 107 N GLN A -7 45.723 19.005 32.091 1.00 0.00 N ATOM 108 CA GLN A -7 45.045 17.739 32.363 1.00 0.00 C ATOM 109 C GLN A -7 45.990 16.571 32.080 1.00 0.00 C ATOM 110 O GLN A -7 47.212 16.752 32.115 1.00 0.00 O ATOM 111 CB GLN A -7 43.740 17.620 31.555 1.00 0.00 C ATOM 112 CG GLN A -7 42.696 18.656 31.936 1.00 0.00 C ATOM 113 CD GLN A -7 42.382 18.635 33.419 1.00 0.00 C ATOM 114 OE1 GLN A -7 43.001 19.349 34.206 1.00 0.00 O ATOM 115 NE2 GLN A -7 41.439 17.807 33.809 1.00 0.00 N ATOM 0 H GLN A -7 45.889 19.571 32.923 1.00 0.00 H new ATOM 0 HA GLN A -7 44.769 17.710 33.417 1.00 0.00 H new ATOM 0 HB2 GLN A -7 43.968 17.719 30.494 1.00 0.00 H new ATOM 0 HB3 GLN A -7 43.322 16.624 31.699 1.00 0.00 H new ATOM 0 HG2 GLN A -7 43.052 19.648 31.656 1.00 0.00 H new ATOM 0 HG3 GLN A -7 41.782 18.473 31.370 1.00 0.00 H new ATOM 0 HE21 GLN A -7 40.950 17.232 33.123 1.00 0.00 H new ATOM 0 HE22 GLN A -7 41.197 17.739 34.797 1.00 0.00 H new ATOM 124 N PHE A -6 45.428 15.381 31.827 1.00 0.00 N ATOM 125 CA PHE A -6 46.206 14.156 31.548 1.00 0.00 C ATOM 126 C PHE A -6 46.868 13.643 32.827 1.00 0.00 C ATOM 127 O PHE A -6 47.647 14.350 33.460 1.00 0.00 O ATOM 128 CB PHE A -6 47.281 14.380 30.450 1.00 0.00 C ATOM 129 CG PHE A -6 46.839 15.239 29.291 1.00 0.00 C ATOM 130 CD1 PHE A -6 45.598 15.065 28.697 1.00 0.00 C ATOM 131 CD2 PHE A -6 47.670 16.242 28.816 1.00 0.00 C ATOM 132 CE1 PHE A -6 45.199 15.875 27.650 1.00 0.00 C ATOM 133 CE2 PHE A -6 47.275 17.055 27.774 1.00 0.00 C ATOM 134 CZ PHE A -6 46.041 16.872 27.192 1.00 0.00 C ATOM 0 H PHE A -6 44.419 15.236 31.809 1.00 0.00 H new ATOM 0 HA PHE A -6 45.505 13.409 31.175 1.00 0.00 H new ATOM 0 HB2 PHE A -6 48.157 14.838 30.909 1.00 0.00 H new ATOM 0 HB3 PHE A -6 47.593 13.409 30.065 1.00 0.00 H new ATOM 0 HD1 PHE A -6 44.937 14.290 29.056 1.00 0.00 H new ATOM 0 HD2 PHE A -6 48.640 16.389 29.268 1.00 0.00 H new ATOM 0 HE1 PHE A -6 44.232 15.730 27.191 1.00 0.00 H new ATOM 0 HE2 PHE A -6 47.932 17.833 27.416 1.00 0.00 H new ATOM 0 HZ PHE A -6 45.730 17.508 26.376 1.00 0.00 H new ATOM 144 N GLU A -5 46.550 12.423 33.215 1.00 0.00 N ATOM 145 CA GLU A -5 47.119 11.852 34.428 1.00 0.00 C ATOM 146 C GLU A -5 48.284 10.928 34.078 1.00 0.00 C ATOM 147 O GLU A -5 49.447 11.322 34.141 1.00 0.00 O ATOM 148 CB GLU A -5 46.052 11.078 35.199 1.00 0.00 C ATOM 149 CG GLU A -5 44.680 11.712 35.146 1.00 0.00 C ATOM 150 CD GLU A -5 43.599 10.742 35.532 1.00 0.00 C ATOM 151 OE1 GLU A -5 43.186 9.941 34.666 1.00 0.00 O ATOM 152 OE2 GLU A -5 43.165 10.756 36.703 1.00 0.00 O ATOM 0 H GLU A -5 45.906 11.810 32.715 1.00 0.00 H new ATOM 0 HA GLU A -5 47.487 12.663 35.056 1.00 0.00 H new ATOM 0 HB2 GLU A -5 45.990 10.066 34.799 1.00 0.00 H new ATOM 0 HB3 GLU A -5 46.361 10.990 36.240 1.00 0.00 H new ATOM 0 HG2 GLU A -5 44.652 12.572 35.815 1.00 0.00 H new ATOM 0 HG3 GLU A -5 44.491 12.085 34.139 1.00 0.00 H new ATOM 159 N LYS A -4 47.958 9.710 33.676 1.00 0.00 N ATOM 160 CA LYS A -4 48.960 8.737 33.297 1.00 0.00 C ATOM 161 C LYS A -4 49.119 8.748 31.795 1.00 0.00 C ATOM 162 O LYS A -4 50.184 8.436 31.261 1.00 0.00 O ATOM 163 CB LYS A -4 48.554 7.342 33.770 1.00 0.00 C ATOM 164 CG LYS A -4 48.352 7.234 35.270 1.00 0.00 C ATOM 165 CD LYS A -4 47.910 5.838 35.667 1.00 0.00 C ATOM 166 CE LYS A -4 47.696 5.730 37.166 1.00 0.00 C ATOM 167 NZ LYS A -4 47.244 4.376 37.560 1.00 0.00 N ATOM 0 H LYS A -4 46.998 9.373 33.605 1.00 0.00 H new ATOM 0 HA LYS A -4 49.908 8.997 33.767 1.00 0.00 H new ATOM 0 HB2 LYS A -4 47.631 7.054 33.268 1.00 0.00 H new ATOM 0 HB3 LYS A -4 49.319 6.629 33.464 1.00 0.00 H new ATOM 0 HG2 LYS A -4 49.281 7.484 35.783 1.00 0.00 H new ATOM 0 HG3 LYS A -4 47.605 7.960 35.592 1.00 0.00 H new ATOM 0 HD2 LYS A -4 46.986 5.586 35.147 1.00 0.00 H new ATOM 0 HD3 LYS A -4 48.661 5.114 35.352 1.00 0.00 H new ATOM 0 HE2 LYS A -4 48.625 5.968 37.684 1.00 0.00 H new ATOM 0 HE3 LYS A -4 46.957 6.466 37.482 1.00 0.00 H new ATOM 0 HZ1 LYS A -4 47.109 4.341 38.591 1.00 0.00 H new ATOM 0 HZ2 LYS A -4 46.345 4.158 37.085 1.00 0.00 H new ATOM 0 HZ3 LYS A -4 47.961 3.676 37.281 1.00 0.00 H new ATOM 181 N ILE A -3 48.044 9.139 31.114 1.00 0.00 N ATOM 182 CA ILE A -3 48.031 9.235 29.663 1.00 0.00 C ATOM 183 C ILE A -3 49.051 10.259 29.168 1.00 0.00 C ATOM 184 O ILE A -3 49.463 10.225 28.017 1.00 0.00 O ATOM 185 CB ILE A -3 46.622 9.598 29.127 1.00 0.00 C ATOM 186 CG1 ILE A -3 46.099 10.882 29.783 1.00 0.00 C ATOM 187 CG2 ILE A -3 45.654 8.440 29.345 1.00 0.00 C ATOM 188 CD1 ILE A -3 44.735 11.313 29.281 1.00 0.00 C ATOM 0 H ILE A -3 47.161 9.397 31.555 1.00 0.00 H new ATOM 0 HA ILE A -3 48.303 8.252 29.278 1.00 0.00 H new ATOM 0 HB ILE A -3 46.700 9.781 28.055 1.00 0.00 H new ATOM 0 HG12 ILE A -3 46.049 10.733 30.862 1.00 0.00 H new ATOM 0 HG13 ILE A -3 46.812 11.687 29.605 1.00 0.00 H new ATOM 0 HG21 ILE A -3 44.670 8.712 28.963 1.00 0.00 H new ATOM 0 HG22 ILE A -3 46.017 7.558 28.818 1.00 0.00 H new ATOM 0 HG23 ILE A -3 45.582 8.222 30.410 1.00 0.00 H new ATOM 0 HD11 ILE A -3 44.432 12.228 29.791 1.00 0.00 H new ATOM 0 HD12 ILE A -3 44.783 11.495 28.207 1.00 0.00 H new ATOM 0 HD13 ILE A -3 44.008 10.527 29.484 1.00 0.00 H new ATOM 200 N GLU A -2 49.475 11.148 30.069 1.00 0.00 N ATOM 201 CA GLU A -2 50.463 12.174 29.747 1.00 0.00 C ATOM 202 C GLU A -2 51.797 11.526 29.360 1.00 0.00 C ATOM 203 O GLU A -2 52.582 12.095 28.599 1.00 0.00 O ATOM 204 CB GLU A -2 50.675 13.098 30.956 1.00 0.00 C ATOM 205 CG GLU A -2 51.481 14.352 30.643 1.00 0.00 C ATOM 206 CD GLU A -2 51.983 15.057 31.888 1.00 0.00 C ATOM 207 OE1 GLU A -2 51.165 15.640 32.623 1.00 0.00 O ATOM 208 OE2 GLU A -2 53.207 15.021 32.139 1.00 0.00 O ATOM 0 H GLU A -2 49.145 11.176 31.034 1.00 0.00 H new ATOM 0 HA GLU A -2 50.093 12.759 28.905 1.00 0.00 H new ATOM 0 HB2 GLU A -2 49.702 13.393 31.350 1.00 0.00 H new ATOM 0 HB3 GLU A -2 51.182 12.539 31.743 1.00 0.00 H new ATOM 0 HG2 GLU A -2 52.331 14.084 30.016 1.00 0.00 H new ATOM 0 HG3 GLU A -2 50.863 15.040 30.066 1.00 0.00 H new ATOM 215 N GLY A -1 52.039 10.328 29.884 1.00 0.00 N ATOM 216 CA GLY A -1 53.283 9.642 29.612 1.00 0.00 C ATOM 217 C GLY A -1 53.147 8.571 28.546 1.00 0.00 C ATOM 218 O GLY A -1 54.136 7.950 28.157 1.00 0.00 O ATOM 0 H GLY A -1 51.394 9.823 30.492 1.00 0.00 H new ATOM 0 HA2 GLY A -1 54.031 10.369 29.296 1.00 0.00 H new ATOM 0 HA3 GLY A -1 53.650 9.187 30.532 1.00 0.00 H new ATOM 222 N ARG A 0 51.931 8.345 28.073 1.00 0.00 N ATOM 223 CA ARG A 0 51.696 7.334 27.043 1.00 0.00 C ATOM 224 C ARG A 0 51.544 8.016 25.707 1.00 0.00 C ATOM 225 O ARG A 0 52.396 7.899 24.819 1.00 0.00 O ATOM 226 CB ARG A 0 50.423 6.528 27.330 1.00 0.00 C ATOM 227 CG ARG A 0 50.207 6.172 28.781 1.00 0.00 C ATOM 228 CD ARG A 0 51.367 5.367 29.341 1.00 0.00 C ATOM 229 NE ARG A 0 51.095 4.897 30.691 1.00 0.00 N ATOM 230 CZ ARG A 0 51.992 4.317 31.484 1.00 0.00 C ATOM 231 NH1 ARG A 0 53.255 4.162 31.073 1.00 0.00 N ATOM 232 NH2 ARG A 0 51.629 3.891 32.690 1.00 0.00 N ATOM 0 H ARG A 0 51.095 8.842 28.380 1.00 0.00 H new ATOM 0 HA ARG A 0 52.546 6.652 27.037 1.00 0.00 H new ATOM 0 HB2 ARG A 0 49.563 7.099 26.980 1.00 0.00 H new ATOM 0 HB3 ARG A 0 50.454 5.608 26.746 1.00 0.00 H new ATOM 0 HG2 ARG A 0 50.082 7.084 29.365 1.00 0.00 H new ATOM 0 HG3 ARG A 0 49.285 5.600 28.882 1.00 0.00 H new ATOM 0 HD2 ARG A 0 51.565 4.514 28.692 1.00 0.00 H new ATOM 0 HD3 ARG A 0 52.268 5.981 29.344 1.00 0.00 H new ATOM 0 HE ARG A 0 50.150 5.021 31.055 1.00 0.00 H new ATOM 0 HH11 ARG A 0 53.534 4.489 30.148 1.00 0.00 H new ATOM 0 HH12 ARG A 0 53.939 3.717 31.684 1.00 0.00 H new ATOM 0 HH21 ARG A 0 50.666 4.009 33.004 1.00 0.00 H new ATOM 0 HH22 ARG A 0 52.314 3.446 33.301 1.00 0.00 H new ATOM 246 N MET A 1 50.451 8.731 25.578 1.00 0.00 N ATOM 247 CA MET A 1 50.147 9.470 24.391 1.00 0.00 C ATOM 248 C MET A 1 50.674 10.891 24.524 1.00 0.00 C ATOM 249 O MET A 1 50.266 11.632 25.408 1.00 0.00 O ATOM 250 CB MET A 1 48.622 9.454 24.111 1.00 0.00 C ATOM 251 CG MET A 1 47.744 9.638 25.346 1.00 0.00 C ATOM 252 SD MET A 1 47.599 8.134 26.338 1.00 0.00 S ATOM 253 CE MET A 1 46.679 7.069 25.226 1.00 0.00 C ATOM 0 H MET A 1 49.743 8.812 26.308 1.00 0.00 H new ATOM 0 HA MET A 1 50.638 8.999 23.539 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.390 10.243 23.396 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.364 8.507 23.636 1.00 0.00 H new ATOM 0 HG2 MET A 1 48.157 10.436 25.963 1.00 0.00 H new ATOM 0 HG3 MET A 1 46.750 9.959 25.034 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.810 6.664 25.745 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.349 7.644 24.361 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.318 6.250 24.895 1.00 0.00 H new ATOM 263 N ASP A 2 51.604 11.245 23.661 1.00 0.00 N ATOM 264 CA ASP A 2 52.221 12.565 23.690 1.00 0.00 C ATOM 265 C ASP A 2 52.489 13.039 22.272 1.00 0.00 C ATOM 266 O ASP A 2 52.516 12.232 21.343 1.00 0.00 O ATOM 267 CB ASP A 2 53.536 12.513 24.493 1.00 0.00 C ATOM 268 CG ASP A 2 54.213 13.866 24.614 1.00 0.00 C ATOM 269 OD1 ASP A 2 53.588 14.798 25.159 1.00 0.00 O ATOM 270 OD2 ASP A 2 55.375 14.003 24.177 1.00 0.00 O ATOM 0 H ASP A 2 51.955 10.635 22.923 1.00 0.00 H new ATOM 0 HA ASP A 2 51.543 13.267 24.174 1.00 0.00 H new ATOM 0 HB2 ASP A 2 53.330 12.126 25.491 1.00 0.00 H new ATOM 0 HB3 ASP A 2 54.220 11.813 24.014 1.00 0.00 H new ATOM 275 N VAL A 3 52.671 14.341 22.103 1.00 0.00 N ATOM 276 CA VAL A 3 52.950 14.911 20.794 1.00 0.00 C ATOM 277 C VAL A 3 54.252 14.334 20.236 1.00 0.00 C ATOM 278 O VAL A 3 55.329 14.545 20.796 1.00 0.00 O ATOM 279 CB VAL A 3 53.049 16.454 20.856 1.00 0.00 C ATOM 280 CG1 VAL A 3 53.308 17.039 19.474 1.00 0.00 C ATOM 281 CG2 VAL A 3 51.781 17.044 21.456 1.00 0.00 C ATOM 0 H VAL A 3 52.630 15.024 22.859 1.00 0.00 H new ATOM 0 HA VAL A 3 52.122 14.650 20.135 1.00 0.00 H new ATOM 0 HB VAL A 3 53.891 16.715 21.497 1.00 0.00 H new ATOM 0 HG11 VAL A 3 53.373 18.125 19.545 1.00 0.00 H new ATOM 0 HG12 VAL A 3 54.245 16.644 19.081 1.00 0.00 H new ATOM 0 HG13 VAL A 3 52.491 16.768 18.805 1.00 0.00 H new ATOM 0 HG21 VAL A 3 51.867 18.130 21.493 1.00 0.00 H new ATOM 0 HG22 VAL A 3 50.925 16.768 20.840 1.00 0.00 H new ATOM 0 HG23 VAL A 3 51.642 16.657 22.465 1.00 0.00 H new ATOM 291 N GLY A 4 54.140 13.600 19.149 1.00 0.00 N ATOM 292 CA GLY A 4 55.297 12.968 18.561 1.00 0.00 C ATOM 293 C GLY A 4 55.226 11.460 18.670 1.00 0.00 C ATOM 294 O GLY A 4 55.861 10.745 17.895 1.00 0.00 O ATOM 0 H GLY A 4 53.263 13.428 18.658 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.374 13.254 17.512 1.00 0.00 H new ATOM 0 HA3 GLY A 4 56.199 13.327 19.057 1.00 0.00 H new ATOM 298 N GLN A 5 54.437 10.981 19.629 1.00 0.00 N ATOM 299 CA GLN A 5 54.255 9.549 19.842 1.00 0.00 C ATOM 300 C GLN A 5 53.429 8.939 18.726 1.00 0.00 C ATOM 301 O GLN A 5 52.569 9.604 18.136 1.00 0.00 O ATOM 302 CB GLN A 5 53.582 9.280 21.193 1.00 0.00 C ATOM 303 CG GLN A 5 54.530 9.312 22.380 1.00 0.00 C ATOM 304 CD GLN A 5 55.416 8.081 22.448 1.00 0.00 C ATOM 305 OE1 GLN A 5 56.493 8.048 21.868 1.00 0.00 O ATOM 306 NE2 GLN A 5 54.970 7.071 23.177 1.00 0.00 N ATOM 0 H GLN A 5 53.910 11.569 20.275 1.00 0.00 H new ATOM 0 HA GLN A 5 55.241 9.085 19.843 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.798 10.021 21.349 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.097 8.305 21.156 1.00 0.00 H new ATOM 0 HG2 GLN A 5 55.155 10.203 22.318 1.00 0.00 H new ATOM 0 HG3 GLN A 5 53.952 9.391 23.301 1.00 0.00 H new ATOM 0 HE21 GLN A 5 54.066 7.139 23.644 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.530 6.224 23.272 1.00 0.00 H new ATOM 315 N LYS A 6 53.690 7.685 18.440 1.00 0.00 N ATOM 316 CA LYS A 6 52.978 6.981 17.402 1.00 0.00 C ATOM 317 C LYS A 6 51.814 6.214 17.990 1.00 0.00 C ATOM 318 O LYS A 6 51.933 5.612 19.056 1.00 0.00 O ATOM 319 CB LYS A 6 53.914 6.018 16.681 1.00 0.00 C ATOM 320 CG LYS A 6 55.108 6.691 16.026 1.00 0.00 C ATOM 321 CD LYS A 6 56.062 5.670 15.427 1.00 0.00 C ATOM 322 CE LYS A 6 55.360 4.763 14.426 1.00 0.00 C ATOM 323 NZ LYS A 6 56.276 3.746 13.868 1.00 0.00 N ATOM 0 H LYS A 6 54.398 7.127 18.918 1.00 0.00 H new ATOM 0 HA LYS A 6 52.598 7.712 16.688 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.274 5.276 17.393 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.349 5.481 15.919 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.762 7.369 15.246 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.636 7.296 16.763 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.886 6.187 14.935 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.496 5.066 16.224 1.00 0.00 H new ATOM 0 HE2 LYS A 6 54.520 4.267 14.912 1.00 0.00 H new ATOM 0 HE3 LYS A 6 54.949 5.365 13.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 55.760 3.148 13.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 57.065 4.219 13.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 56.648 3.154 14.638 1.00 0.00 H new ATOM 337 N VAL A 7 50.693 6.245 17.311 1.00 0.00 N ATOM 338 CA VAL A 7 49.515 5.529 17.753 1.00 0.00 C ATOM 339 C VAL A 7 48.829 4.858 16.593 1.00 0.00 C ATOM 340 O VAL A 7 48.700 5.434 15.517 1.00 0.00 O ATOM 341 CB VAL A 7 48.497 6.438 18.486 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.975 6.776 19.887 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.233 7.706 17.690 1.00 0.00 C ATOM 0 H VAL A 7 50.569 6.763 16.441 1.00 0.00 H new ATOM 0 HA VAL A 7 49.867 4.780 18.463 1.00 0.00 H new ATOM 0 HB VAL A 7 47.561 5.887 18.573 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.241 7.415 20.378 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.098 5.858 20.461 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.930 7.298 19.829 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.515 8.328 18.224 1.00 0.00 H new ATOM 0 HG22 VAL A 7 49.165 8.256 17.562 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.829 7.444 16.712 1.00 0.00 H new ATOM 353 N ARG A 8 48.398 3.645 16.804 1.00 0.00 N ATOM 354 CA ARG A 8 47.726 2.903 15.773 1.00 0.00 C ATOM 355 C ARG A 8 46.257 2.783 16.097 1.00 0.00 C ATOM 356 O ARG A 8 45.884 2.598 17.257 1.00 0.00 O ATOM 357 CB ARG A 8 48.340 1.512 15.620 1.00 0.00 C ATOM 358 CG ARG A 8 47.838 0.749 14.409 1.00 0.00 C ATOM 359 CD ARG A 8 48.216 -0.717 14.474 1.00 0.00 C ATOM 360 NE ARG A 8 47.543 -1.395 15.586 1.00 0.00 N ATOM 361 CZ ARG A 8 46.555 -2.286 15.446 1.00 0.00 C ATOM 362 NH1 ARG A 8 46.200 -2.712 14.231 1.00 0.00 N ATOM 363 NH2 ARG A 8 45.938 -2.765 16.524 1.00 0.00 N ATOM 0 H ARG A 8 48.501 3.146 17.688 1.00 0.00 H new ATOM 0 HA ARG A 8 47.844 3.439 14.831 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.424 1.609 15.553 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.127 0.931 16.517 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.754 0.843 14.343 1.00 0.00 H new ATOM 0 HG3 ARG A 8 48.252 1.192 13.503 1.00 0.00 H new ATOM 0 HD2 ARG A 8 47.952 -1.204 13.535 1.00 0.00 H new ATOM 0 HD3 ARG A 8 49.296 -0.811 14.589 1.00 0.00 H new ATOM 0 HE ARG A 8 47.850 -1.172 16.533 1.00 0.00 H new ATOM 0 HH11 ARG A 8 46.683 -2.358 13.405 1.00 0.00 H new ATOM 0 HH12 ARG A 8 45.446 -3.391 14.129 1.00 0.00 H new ATOM 0 HH21 ARG A 8 46.219 -2.453 17.453 1.00 0.00 H new ATOM 0 HH22 ARG A 8 45.184 -3.444 16.421 1.00 0.00 H new ATOM 377 N VAL A 9 45.426 2.914 15.089 1.00 0.00 N ATOM 378 CA VAL A 9 44.004 2.766 15.271 1.00 0.00 C ATOM 379 C VAL A 9 43.681 1.308 15.549 1.00 0.00 C ATOM 380 O VAL A 9 43.802 0.452 14.667 1.00 0.00 O ATOM 381 CB VAL A 9 43.227 3.250 14.037 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.736 3.070 14.238 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.556 4.703 13.742 1.00 0.00 C ATOM 0 H VAL A 9 45.713 3.123 14.133 1.00 0.00 H new ATOM 0 HA VAL A 9 43.700 3.381 16.118 1.00 0.00 H new ATOM 0 HB VAL A 9 43.529 2.646 13.181 1.00 0.00 H new ATOM 0 HG11 VAL A 9 41.205 3.419 13.353 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.516 2.015 14.401 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.414 3.646 15.105 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.998 5.032 12.865 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.282 5.319 14.598 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.624 4.802 13.550 1.00 0.00 H new ATOM 393 N CYS A 10 43.300 1.033 16.778 1.00 0.00 N ATOM 394 CA CYS A 10 43.027 -0.320 17.214 1.00 0.00 C ATOM 395 C CYS A 10 41.580 -0.681 16.927 1.00 0.00 C ATOM 396 O CYS A 10 41.246 -1.838 16.668 1.00 0.00 O ATOM 397 CB CYS A 10 43.306 -0.429 18.717 1.00 0.00 C ATOM 398 SG CYS A 10 43.607 -2.104 19.315 1.00 0.00 S ATOM 0 H CYS A 10 43.171 1.740 17.502 1.00 0.00 H new ATOM 0 HA CYS A 10 43.671 -1.012 16.671 1.00 0.00 H new ATOM 0 HB2 CYS A 10 44.172 0.188 18.956 1.00 0.00 H new ATOM 0 HB3 CYS A 10 42.458 -0.012 19.260 1.00 0.00 H new ATOM 0 HG CYS A 10 44.884 -2.345 19.305 1.00 0.00 H new ATOM 404 N ARG A 11 40.731 0.324 16.956 1.00 0.00 N ATOM 405 CA ARG A 11 39.310 0.144 16.770 1.00 0.00 C ATOM 406 C ARG A 11 38.700 1.467 16.368 1.00 0.00 C ATOM 407 O ARG A 11 39.375 2.477 16.400 1.00 0.00 O ATOM 408 CB ARG A 11 38.693 -0.331 18.091 1.00 0.00 C ATOM 409 CG ARG A 11 38.915 0.643 19.245 1.00 0.00 C ATOM 410 CD ARG A 11 38.656 0.001 20.597 1.00 0.00 C ATOM 411 NE ARG A 11 39.642 -1.040 20.895 1.00 0.00 N ATOM 412 CZ ARG A 11 40.196 -1.248 22.094 1.00 0.00 C ATOM 413 NH1 ARG A 11 39.867 -0.485 23.140 1.00 0.00 N ATOM 414 NH2 ARG A 11 41.088 -2.218 22.241 1.00 0.00 N ATOM 0 H ARG A 11 41.010 1.293 17.110 1.00 0.00 H new ATOM 0 HA ARG A 11 39.119 -0.596 15.993 1.00 0.00 H new ATOM 0 HB2 ARG A 11 37.622 -0.480 17.951 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.118 -1.299 18.355 1.00 0.00 H new ATOM 0 HG2 ARG A 11 39.939 1.015 19.212 1.00 0.00 H new ATOM 0 HG3 ARG A 11 38.259 1.504 19.122 1.00 0.00 H new ATOM 0 HD2 ARG A 11 38.685 0.764 21.375 1.00 0.00 H new ATOM 0 HD3 ARG A 11 37.655 -0.430 20.610 1.00 0.00 H new ATOM 0 HE ARG A 11 39.927 -1.652 20.131 1.00 0.00 H new ATOM 0 HH11 ARG A 11 39.186 0.266 23.029 1.00 0.00 H new ATOM 0 HH12 ARG A 11 40.297 -0.654 24.050 1.00 0.00 H new ATOM 0 HH21 ARG A 11 41.346 -2.798 21.443 1.00 0.00 H new ATOM 0 HH22 ARG A 11 41.516 -2.384 23.152 1.00 0.00 H new ATOM 428 N ILE A 12 37.453 1.450 15.946 1.00 0.00 N ATOM 429 CA ILE A 12 36.725 2.675 15.651 1.00 0.00 C ATOM 430 C ILE A 12 35.362 2.624 16.316 1.00 0.00 C ATOM 431 O ILE A 12 34.536 1.748 16.007 1.00 0.00 O ATOM 432 CB ILE A 12 36.561 2.938 14.128 1.00 0.00 C ATOM 433 CG1 ILE A 12 37.923 3.163 13.465 1.00 0.00 C ATOM 434 CG2 ILE A 12 35.670 4.154 13.898 1.00 0.00 C ATOM 435 CD1 ILE A 12 38.588 4.463 13.859 1.00 0.00 C ATOM 0 H ILE A 12 36.915 0.596 15.797 1.00 0.00 H new ATOM 0 HA ILE A 12 37.314 3.502 16.048 1.00 0.00 H new ATOM 0 HB ILE A 12 36.096 2.060 13.679 1.00 0.00 H new ATOM 0 HG12 ILE A 12 38.583 2.335 13.724 1.00 0.00 H new ATOM 0 HG13 ILE A 12 37.797 3.144 12.382 1.00 0.00 H new ATOM 0 HG21 ILE A 12 35.562 4.329 12.828 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.689 3.974 14.337 1.00 0.00 H new ATOM 0 HG23 ILE A 12 36.121 5.029 14.365 1.00 0.00 H new ATOM 0 HD11 ILE A 12 39.547 4.550 13.349 1.00 0.00 H new ATOM 0 HD12 ILE A 12 37.949 5.299 13.575 1.00 0.00 H new ATOM 0 HD13 ILE A 12 38.748 4.478 14.937 1.00 0.00 H new ATOM 447 N ARG A 13 35.129 3.537 17.231 1.00 0.00 N ATOM 448 CA ARG A 13 33.887 3.575 17.978 1.00 0.00 C ATOM 449 C ARG A 13 32.781 4.266 17.179 1.00 0.00 C ATOM 450 O ARG A 13 32.466 5.437 17.410 1.00 0.00 O ATOM 451 CB ARG A 13 34.094 4.256 19.340 1.00 0.00 C ATOM 452 CG ARG A 13 35.163 3.581 20.196 1.00 0.00 C ATOM 453 CD ARG A 13 35.375 4.302 21.523 1.00 0.00 C ATOM 454 NE ARG A 13 34.190 4.249 22.387 1.00 0.00 N ATOM 455 CZ ARG A 13 34.231 4.077 23.716 1.00 0.00 C ATOM 456 NH1 ARG A 13 35.394 3.945 24.347 1.00 0.00 N ATOM 457 NH2 ARG A 13 33.106 4.046 24.419 1.00 0.00 N ATOM 0 H ARG A 13 35.790 4.273 17.480 1.00 0.00 H new ATOM 0 HA ARG A 13 33.570 2.548 18.157 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.371 5.298 19.179 1.00 0.00 H new ATOM 0 HB3 ARG A 13 33.150 4.258 19.885 1.00 0.00 H new ATOM 0 HG2 ARG A 13 34.874 2.548 20.388 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.103 3.552 19.645 1.00 0.00 H new ATOM 0 HD2 ARG A 13 36.221 3.855 22.045 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.634 5.343 21.330 1.00 0.00 H new ATOM 0 HE ARG A 13 33.275 4.350 21.948 1.00 0.00 H new ATOM 0 HH11 ARG A 13 36.267 3.974 23.820 1.00 0.00 H new ATOM 0 HH12 ARG A 13 35.414 3.815 25.358 1.00 0.00 H new ATOM 0 HH21 ARG A 13 32.207 4.153 23.948 1.00 0.00 H new ATOM 0 HH22 ARG A 13 33.140 3.915 25.430 1.00 0.00 H new ATOM 471 N ASP A 14 32.222 3.520 16.215 1.00 0.00 N ATOM 472 CA ASP A 14 31.129 3.997 15.349 1.00 0.00 C ATOM 473 C ASP A 14 31.620 5.132 14.423 1.00 0.00 C ATOM 474 O ASP A 14 32.819 5.375 14.333 1.00 0.00 O ATOM 475 CB ASP A 14 29.913 4.434 16.200 1.00 0.00 C ATOM 476 CG ASP A 14 28.645 4.612 15.386 1.00 0.00 C ATOM 477 OD1 ASP A 14 28.022 3.599 15.011 1.00 0.00 O ATOM 478 OD2 ASP A 14 28.272 5.767 15.110 1.00 0.00 O ATOM 0 H ASP A 14 32.515 2.564 16.012 1.00 0.00 H new ATOM 0 HA ASP A 14 30.805 3.175 14.711 1.00 0.00 H new ATOM 0 HB2 ASP A 14 29.736 3.691 16.977 1.00 0.00 H new ATOM 0 HB3 ASP A 14 30.148 5.372 16.703 1.00 0.00 H new ATOM 483 N ARG A 15 30.679 5.804 13.731 1.00 0.00 N ATOM 484 CA ARG A 15 30.973 6.905 12.785 1.00 0.00 C ATOM 485 C ARG A 15 32.177 6.611 11.884 1.00 0.00 C ATOM 486 O ARG A 15 33.056 7.460 11.702 1.00 0.00 O ATOM 487 CB ARG A 15 31.138 8.266 13.510 1.00 0.00 C ATOM 488 CG ARG A 15 32.201 8.299 14.603 1.00 0.00 C ATOM 489 CD ARG A 15 32.398 9.706 15.143 1.00 0.00 C ATOM 490 NE ARG A 15 31.129 10.329 15.541 1.00 0.00 N ATOM 491 CZ ARG A 15 30.835 10.726 16.782 1.00 0.00 C ATOM 492 NH1 ARG A 15 31.700 10.530 17.775 1.00 0.00 N ATOM 493 NH2 ARG A 15 29.669 11.316 17.031 1.00 0.00 N ATOM 0 H ARG A 15 29.683 5.598 13.812 1.00 0.00 H new ATOM 0 HA ARG A 15 30.102 6.977 12.134 1.00 0.00 H new ATOM 0 HB2 ARG A 15 31.380 9.027 12.768 1.00 0.00 H new ATOM 0 HB3 ARG A 15 30.180 8.543 13.950 1.00 0.00 H new ATOM 0 HG2 ARG A 15 31.910 7.633 15.416 1.00 0.00 H new ATOM 0 HG3 ARG A 15 33.145 7.925 14.206 1.00 0.00 H new ATOM 0 HD2 ARG A 15 33.070 9.674 16.001 1.00 0.00 H new ATOM 0 HD3 ARG A 15 32.880 10.321 14.383 1.00 0.00 H new ATOM 0 HE ARG A 15 30.422 10.468 14.819 1.00 0.00 H new ATOM 0 HH11 ARG A 15 32.594 10.074 17.590 1.00 0.00 H new ATOM 0 HH12 ARG A 15 31.469 10.836 18.720 1.00 0.00 H new ATOM 0 HH21 ARG A 15 29.001 11.465 16.275 1.00 0.00 H new ATOM 0 HH22 ARG A 15 29.443 11.620 17.978 1.00 0.00 H new ATOM 507 N VAL A 16 32.203 5.422 11.303 1.00 0.00 N ATOM 508 CA VAL A 16 33.302 5.048 10.433 1.00 0.00 C ATOM 509 C VAL A 16 33.072 5.594 9.032 1.00 0.00 C ATOM 510 O VAL A 16 32.134 5.189 8.349 1.00 0.00 O ATOM 511 CB VAL A 16 33.449 3.511 10.328 1.00 0.00 C ATOM 512 CG1 VAL A 16 34.731 3.141 9.603 1.00 0.00 C ATOM 513 CG2 VAL A 16 33.398 2.858 11.696 1.00 0.00 C ATOM 0 H VAL A 16 31.484 4.708 11.417 1.00 0.00 H new ATOM 0 HA VAL A 16 34.209 5.468 10.867 1.00 0.00 H new ATOM 0 HB VAL A 16 32.606 3.135 9.748 1.00 0.00 H new ATOM 0 HG11 VAL A 16 34.814 2.056 9.541 1.00 0.00 H new ATOM 0 HG12 VAL A 16 34.715 3.562 8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 16 35.586 3.539 10.149 1.00 0.00 H new ATOM 0 HG21 VAL A 16 33.504 1.779 11.588 1.00 0.00 H new ATOM 0 HG22 VAL A 16 34.210 3.242 12.313 1.00 0.00 H new ATOM 0 HG23 VAL A 16 32.443 3.083 12.171 1.00 0.00 H new ATOM 523 N ALA A 17 33.910 6.518 8.612 1.00 0.00 N ATOM 524 CA ALA A 17 33.837 7.032 7.261 1.00 0.00 C ATOM 525 C ALA A 17 34.654 6.155 6.330 1.00 0.00 C ATOM 526 O ALA A 17 35.479 5.354 6.793 1.00 0.00 O ATOM 527 CB ALA A 17 34.300 8.478 7.191 1.00 0.00 C ATOM 0 H ALA A 17 34.648 6.928 9.185 1.00 0.00 H new ATOM 0 HA ALA A 17 32.795 7.011 6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 17 34.232 8.832 6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 17 33.667 9.094 7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 17 35.333 8.546 7.531 1.00 0.00 H new ATOM 533 N GLN A 18 34.465 6.322 5.033 1.00 0.00 N ATOM 534 CA GLN A 18 35.196 5.527 4.047 1.00 0.00 C ATOM 535 C GLN A 18 36.688 5.844 4.107 1.00 0.00 C ATOM 536 O GLN A 18 37.531 5.016 3.762 1.00 0.00 O ATOM 537 CB GLN A 18 34.654 5.779 2.639 1.00 0.00 C ATOM 538 CG GLN A 18 33.163 5.507 2.497 1.00 0.00 C ATOM 539 CD GLN A 18 32.677 5.647 1.069 1.00 0.00 C ATOM 540 OE1 GLN A 18 32.275 6.731 0.638 1.00 0.00 O ATOM 541 NE2 GLN A 18 32.701 4.558 0.330 1.00 0.00 N ATOM 0 H GLN A 18 33.814 6.998 4.633 1.00 0.00 H new ATOM 0 HA GLN A 18 35.054 4.473 4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 18 34.853 6.815 2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 18 35.197 5.151 1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 18 32.946 4.500 2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 18 32.610 6.197 3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 18 33.041 3.681 0.725 1.00 0.00 H new ATOM 0 HE22 GLN A 18 32.379 4.591 -0.637 1.00 0.00 H new ATOM 550 N ASP A 19 37.001 7.045 4.562 1.00 0.00 N ATOM 551 CA ASP A 19 38.379 7.486 4.698 1.00 0.00 C ATOM 552 C ASP A 19 38.956 7.062 6.044 1.00 0.00 C ATOM 553 O ASP A 19 40.166 6.964 6.200 1.00 0.00 O ATOM 554 CB ASP A 19 38.484 9.009 4.540 1.00 0.00 C ATOM 555 CG ASP A 19 38.315 9.476 3.103 1.00 0.00 C ATOM 556 OD1 ASP A 19 37.225 9.273 2.529 1.00 0.00 O ATOM 557 OD2 ASP A 19 39.264 10.070 2.550 1.00 0.00 O ATOM 0 H ASP A 19 36.310 7.740 4.847 1.00 0.00 H new ATOM 0 HA ASP A 19 38.958 7.012 3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 19 37.726 9.485 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 19 39.454 9.340 4.911 1.00 0.00 H new ATOM 562 N ILE A 20 38.085 6.796 7.015 1.00 0.00 N ATOM 563 CA ILE A 20 38.537 6.401 8.355 1.00 0.00 C ATOM 564 C ILE A 20 38.792 4.914 8.421 1.00 0.00 C ATOM 565 O ILE A 20 39.730 4.474 9.080 1.00 0.00 O ATOM 566 CB ILE A 20 37.511 6.768 9.456 1.00 0.00 C ATOM 567 CG1 ILE A 20 37.172 8.246 9.400 1.00 0.00 C ATOM 568 CG2 ILE A 20 38.048 6.400 10.836 1.00 0.00 C ATOM 569 CD1 ILE A 20 36.208 8.694 10.481 1.00 0.00 C ATOM 0 H ILE A 20 37.072 6.845 6.905 1.00 0.00 H new ATOM 0 HA ILE A 20 39.460 6.952 8.537 1.00 0.00 H new ATOM 0 HB ILE A 20 36.600 6.197 9.275 1.00 0.00 H new ATOM 0 HG12 ILE A 20 38.092 8.824 9.485 1.00 0.00 H new ATOM 0 HG13 ILE A 20 36.741 8.474 8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 20 37.313 6.666 11.595 1.00 0.00 H new ATOM 0 HG22 ILE A 20 38.241 5.328 10.877 1.00 0.00 H new ATOM 0 HG23 ILE A 20 38.975 6.943 11.023 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.014 9.761 10.376 1.00 0.00 H new ATOM 0 HD12 ILE A 20 35.272 8.144 10.385 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.644 8.499 11.461 1.00 0.00 H new ATOM 581 N ILE A 21 37.967 4.135 7.728 1.00 0.00 N ATOM 582 CA ILE A 21 38.100 2.683 7.746 1.00 0.00 C ATOM 583 C ILE A 21 39.497 2.253 7.265 1.00 0.00 C ATOM 584 O ILE A 21 40.010 1.204 7.657 1.00 0.00 O ATOM 585 CB ILE A 21 36.992 1.981 6.898 1.00 0.00 C ATOM 586 CG1 ILE A 21 37.058 0.458 7.058 1.00 0.00 C ATOM 587 CG2 ILE A 21 37.096 2.365 5.431 1.00 0.00 C ATOM 588 CD1 ILE A 21 36.783 -0.029 8.468 1.00 0.00 C ATOM 0 H ILE A 21 37.203 4.483 7.149 1.00 0.00 H new ATOM 0 HA ILE A 21 37.972 2.365 8.781 1.00 0.00 H new ATOM 0 HB ILE A 21 36.027 2.324 7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 21 36.337 0.001 6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 21 38.046 0.114 6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 21 36.312 1.861 4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 21 36.981 3.444 5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 21 38.070 2.066 5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 21 36.849 -1.117 8.497 1.00 0.00 H new ATOM 0 HD12 ILE A 21 37.519 0.397 9.150 1.00 0.00 H new ATOM 0 HD13 ILE A 21 35.784 0.282 8.772 1.00 0.00 H new ATOM 600 N GLN A 22 40.111 3.097 6.443 1.00 0.00 N ATOM 601 CA GLN A 22 41.456 2.855 5.940 1.00 0.00 C ATOM 602 C GLN A 22 42.453 2.865 7.085 1.00 0.00 C ATOM 603 O GLN A 22 43.416 2.107 7.091 1.00 0.00 O ATOM 604 CB GLN A 22 41.842 3.943 4.954 1.00 0.00 C ATOM 605 CG GLN A 22 40.838 4.162 3.850 1.00 0.00 C ATOM 606 CD GLN A 22 41.153 5.394 3.042 1.00 0.00 C ATOM 607 OE1 GLN A 22 41.733 6.354 3.556 1.00 0.00 O ATOM 608 NE2 GLN A 22 40.772 5.385 1.791 1.00 0.00 N ATOM 0 H GLN A 22 39.691 3.964 6.108 1.00 0.00 H new ATOM 0 HA GLN A 22 41.470 1.883 5.448 1.00 0.00 H new ATOM 0 HB2 GLN A 22 41.978 4.878 5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 22 42.805 3.690 4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 22 40.823 3.291 3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.840 4.254 4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 22 40.295 4.568 1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.952 6.195 1.197 1.00 0.00 H new ATOM 617 N LYS A 23 42.198 3.722 8.059 1.00 0.00 N ATOM 618 CA LYS A 23 43.086 3.894 9.181 1.00 0.00 C ATOM 619 C LYS A 23 42.943 2.791 10.215 1.00 0.00 C ATOM 620 O LYS A 23 43.744 2.704 11.137 1.00 0.00 O ATOM 621 CB LYS A 23 42.903 5.275 9.815 1.00 0.00 C ATOM 622 CG LYS A 23 43.554 6.379 9.021 1.00 0.00 C ATOM 623 CD LYS A 23 42.745 6.762 7.819 1.00 0.00 C ATOM 624 CE LYS A 23 43.567 7.608 6.866 1.00 0.00 C ATOM 625 NZ LYS A 23 42.849 7.912 5.593 1.00 0.00 N ATOM 0 H LYS A 23 41.368 4.315 8.088 1.00 0.00 H new ATOM 0 HA LYS A 23 44.102 3.825 8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.838 5.485 9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 23 43.320 5.265 10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 23 43.690 7.252 9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 23 44.546 6.059 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.397 5.864 7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 23 41.859 7.315 8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 23 43.836 8.543 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 23 44.498 7.089 6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 43.497 8.389 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 42.511 7.026 5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 42.038 8.533 5.791 1.00 0.00 H new ATOM 639 N LEU A 24 41.935 1.945 10.066 1.00 0.00 N ATOM 640 CA LEU A 24 41.768 0.823 10.975 1.00 0.00 C ATOM 641 C LEU A 24 42.954 -0.123 10.784 1.00 0.00 C ATOM 642 O LEU A 24 43.072 -0.796 9.753 1.00 0.00 O ATOM 643 CB LEU A 24 40.425 0.099 10.707 1.00 0.00 C ATOM 644 CG LEU A 24 39.882 -0.831 11.823 1.00 0.00 C ATOM 645 CD1 LEU A 24 40.767 -2.051 12.027 1.00 0.00 C ATOM 646 CD2 LEU A 24 39.709 -0.068 13.131 1.00 0.00 C ATOM 0 H LEU A 24 41.228 2.013 9.333 1.00 0.00 H new ATOM 0 HA LEU A 24 41.742 1.174 12.007 1.00 0.00 H new ATOM 0 HB2 LEU A 24 39.669 0.857 10.502 1.00 0.00 H new ATOM 0 HB3 LEU A 24 40.537 -0.494 9.799 1.00 0.00 H new ATOM 0 HG LEU A 24 38.905 -1.187 11.497 1.00 0.00 H new ATOM 0 HD11 LEU A 24 40.350 -2.675 12.817 1.00 0.00 H new ATOM 0 HD12 LEU A 24 40.817 -2.624 11.101 1.00 0.00 H new ATOM 0 HD13 LEU A 24 41.770 -1.730 12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.327 -0.742 13.898 1.00 0.00 H new ATOM 0 HD22 LEU A 24 40.671 0.334 13.448 1.00 0.00 H new ATOM 0 HD23 LEU A 24 39.005 0.751 12.984 1.00 0.00 H new ATOM 658 N GLY A 25 43.844 -0.143 11.762 1.00 0.00 N ATOM 659 CA GLY A 25 45.032 -0.953 11.664 1.00 0.00 C ATOM 660 C GLY A 25 46.236 -0.146 11.204 1.00 0.00 C ATOM 661 O GLY A 25 47.357 -0.646 11.193 1.00 0.00 O ATOM 0 H GLY A 25 43.761 0.392 12.626 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.246 -1.402 12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 25 44.856 -1.771 10.966 1.00 0.00 H new ATOM 665 N GLN A 26 45.998 1.108 10.846 1.00 0.00 N ATOM 666 CA GLN A 26 47.047 2.006 10.365 1.00 0.00 C ATOM 667 C GLN A 26 47.621 2.796 11.539 1.00 0.00 C ATOM 668 O GLN A 26 46.892 3.140 12.478 1.00 0.00 O ATOM 669 CB GLN A 26 46.457 2.968 9.321 1.00 0.00 C ATOM 670 CG GLN A 26 47.478 3.808 8.564 1.00 0.00 C ATOM 671 CD GLN A 26 46.822 4.786 7.597 1.00 0.00 C ATOM 672 OE1 GLN A 26 45.730 4.536 7.081 1.00 0.00 O ATOM 673 NE2 GLN A 26 47.488 5.893 7.331 1.00 0.00 N ATOM 0 H GLN A 26 45.072 1.535 10.880 1.00 0.00 H new ATOM 0 HA GLN A 26 47.845 1.424 9.904 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.881 2.388 8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.758 3.638 9.822 1.00 0.00 H new ATOM 0 HG2 GLN A 26 48.090 4.361 9.277 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.149 3.150 8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 26 48.389 6.066 7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 26 47.102 6.576 6.679 1.00 0.00 H new ATOM 682 N VAL A 27 48.916 3.072 11.502 1.00 0.00 N ATOM 683 CA VAL A 27 49.552 3.810 12.580 1.00 0.00 C ATOM 684 C VAL A 27 49.817 5.261 12.172 1.00 0.00 C ATOM 685 O VAL A 27 50.233 5.538 11.047 1.00 0.00 O ATOM 686 CB VAL A 27 50.871 3.130 13.063 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.927 3.112 11.974 1.00 0.00 C ATOM 688 CG2 VAL A 27 51.408 3.802 14.319 1.00 0.00 C ATOM 0 H VAL A 27 49.541 2.799 10.744 1.00 0.00 H new ATOM 0 HA VAL A 27 48.856 3.805 13.418 1.00 0.00 H new ATOM 0 HB VAL A 27 50.628 2.095 13.305 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.830 2.630 12.350 1.00 0.00 H new ATOM 0 HG12 VAL A 27 51.552 2.558 11.113 1.00 0.00 H new ATOM 0 HG13 VAL A 27 52.159 4.134 11.675 1.00 0.00 H new ATOM 0 HG21 VAL A 27 52.327 3.307 14.632 1.00 0.00 H new ATOM 0 HG22 VAL A 27 51.614 4.852 14.110 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.667 3.729 15.116 1.00 0.00 H new ATOM 698 N GLY A 28 49.549 6.175 13.081 1.00 0.00 N ATOM 699 CA GLY A 28 49.769 7.577 12.823 1.00 0.00 C ATOM 700 C GLY A 28 50.578 8.218 13.923 1.00 0.00 C ATOM 701 O GLY A 28 51.058 7.531 14.827 1.00 0.00 O ATOM 0 H GLY A 28 49.177 5.968 14.008 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.287 7.697 11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 28 48.810 8.086 12.730 1.00 0.00 H new ATOM 705 N GLN A 29 50.721 9.523 13.864 1.00 0.00 N ATOM 706 CA GLN A 29 51.496 10.242 14.853 1.00 0.00 C ATOM 707 C GLN A 29 50.630 11.273 15.567 1.00 0.00 C ATOM 708 O GLN A 29 49.839 11.978 14.934 1.00 0.00 O ATOM 709 CB GLN A 29 52.689 10.920 14.188 1.00 0.00 C ATOM 710 CG GLN A 29 53.686 11.511 15.162 1.00 0.00 C ATOM 711 CD GLN A 29 54.825 12.213 14.463 1.00 0.00 C ATOM 712 OE1 GLN A 29 54.655 12.774 13.378 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.993 12.182 15.067 1.00 0.00 N ATOM 0 H GLN A 29 50.309 10.111 13.139 1.00 0.00 H new ATOM 0 HA GLN A 29 51.862 9.531 15.594 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.201 10.194 13.557 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.325 11.711 13.533 1.00 0.00 H new ATOM 0 HG2 GLN A 29 53.175 12.216 15.818 1.00 0.00 H new ATOM 0 HG3 GLN A 29 54.085 10.719 15.795 1.00 0.00 H new ATOM 0 HE21 GLN A 29 56.091 11.707 15.964 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.801 12.633 14.638 1.00 0.00 H new ATOM 722 N ILE A 30 50.772 11.351 16.879 1.00 0.00 N ATOM 723 CA ILE A 30 50.016 12.303 17.680 1.00 0.00 C ATOM 724 C ILE A 30 50.568 13.704 17.498 1.00 0.00 C ATOM 725 O ILE A 30 51.746 13.951 17.754 1.00 0.00 O ATOM 726 CB ILE A 30 50.077 11.951 19.181 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.580 10.531 19.418 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.261 12.950 20.000 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.696 10.088 20.855 1.00 0.00 C ATOM 0 H ILE A 30 51.408 10.763 17.417 1.00 0.00 H new ATOM 0 HA ILE A 30 48.981 12.256 17.341 1.00 0.00 H new ATOM 0 HB ILE A 30 51.116 12.009 19.506 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.537 10.462 19.107 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.146 9.846 18.787 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.316 12.686 21.056 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.663 13.953 19.856 1.00 0.00 H new ATOM 0 HG23 ILE A 30 48.221 12.925 19.673 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.324 9.068 20.952 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.741 10.125 21.164 1.00 0.00 H new ATOM 0 HD13 ILE A 30 49.107 10.751 21.489 1.00 0.00 H new ATOM 741 N THR A 31 49.726 14.613 17.057 1.00 0.00 N ATOM 742 CA THR A 31 50.136 15.985 16.877 1.00 0.00 C ATOM 743 C THR A 31 49.488 16.895 17.917 1.00 0.00 C ATOM 744 O THR A 31 49.886 18.053 18.089 1.00 0.00 O ATOM 745 CB THR A 31 49.811 16.483 15.468 1.00 0.00 C ATOM 746 OG1 THR A 31 48.431 16.221 15.153 1.00 0.00 O ATOM 747 CG2 THR A 31 50.710 15.809 14.445 1.00 0.00 C ATOM 0 H THR A 31 48.753 14.425 16.817 1.00 0.00 H new ATOM 0 HA THR A 31 51.217 16.019 17.012 1.00 0.00 H new ATOM 0 HB THR A 31 49.986 17.558 15.435 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.368 15.841 14.252 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.465 16.175 13.448 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.752 16.038 14.670 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.559 14.730 14.483 1.00 0.00 H new ATOM 755 N GLY A 32 48.498 16.366 18.617 1.00 0.00 N ATOM 756 CA GLY A 32 47.827 17.132 19.633 1.00 0.00 C ATOM 757 C GLY A 32 46.695 16.371 20.269 1.00 0.00 C ATOM 758 O GLY A 32 46.382 15.253 19.860 1.00 0.00 O ATOM 0 H GLY A 32 48.149 15.415 18.496 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.545 17.420 20.401 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.442 18.053 19.195 1.00 0.00 H new ATOM 762 N PHE A 33 46.085 16.967 21.267 1.00 0.00 N ATOM 763 CA PHE A 33 44.968 16.355 21.961 1.00 0.00 C ATOM 764 C PHE A 33 43.678 17.071 21.633 1.00 0.00 C ATOM 765 O PHE A 33 43.690 18.185 21.108 1.00 0.00 O ATOM 766 CB PHE A 33 45.193 16.367 23.472 1.00 0.00 C ATOM 767 CG PHE A 33 46.184 15.351 23.949 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.765 14.078 24.300 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.528 15.665 24.057 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.666 13.139 24.746 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.435 14.726 24.504 1.00 0.00 C ATOM 772 CZ PHE A 33 48.001 13.463 24.850 1.00 0.00 C ATOM 0 H PHE A 33 46.345 17.887 21.622 1.00 0.00 H new ATOM 0 HA PHE A 33 44.895 15.321 21.625 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.533 17.359 23.770 1.00 0.00 H new ATOM 0 HB3 PHE A 33 44.240 16.193 23.972 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.719 13.820 24.223 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.870 16.654 23.789 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.327 12.149 25.014 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.482 14.979 24.583 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.709 12.727 25.203 1.00 0.00 H new ATOM 782 N LYS A 34 42.568 16.431 21.936 1.00 0.00 N ATOM 783 CA LYS A 34 41.268 17.009 21.696 1.00 0.00 C ATOM 784 C LYS A 34 40.296 16.567 22.776 1.00 0.00 C ATOM 785 O LYS A 34 40.019 15.386 22.916 1.00 0.00 O ATOM 786 CB LYS A 34 40.743 16.568 20.336 1.00 0.00 C ATOM 787 CG LYS A 34 39.492 17.295 19.907 1.00 0.00 C ATOM 788 CD LYS A 34 38.917 16.703 18.639 1.00 0.00 C ATOM 789 CE LYS A 34 37.520 17.232 18.356 1.00 0.00 C ATOM 790 NZ LYS A 34 37.483 18.712 18.274 1.00 0.00 N ATOM 0 H LYS A 34 42.544 15.501 22.353 1.00 0.00 H new ATOM 0 HA LYS A 34 41.361 18.095 21.713 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.520 16.726 19.588 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.540 15.497 20.364 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.749 17.245 20.703 1.00 0.00 H new ATOM 0 HG3 LYS A 34 39.718 18.349 19.748 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.572 16.936 17.799 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.884 15.617 18.726 1.00 0.00 H new ATOM 0 HE2 LYS A 34 37.157 16.810 17.419 1.00 0.00 H new ATOM 0 HE3 LYS A 34 36.842 16.897 19.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 36.539 19.019 17.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 37.689 19.117 19.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 38.195 19.040 17.591 1.00 0.00 H new ATOM 804 N MET A 35 39.783 17.502 23.542 1.00 0.00 N ATOM 805 CA MET A 35 38.821 17.156 24.573 1.00 0.00 C ATOM 806 C MET A 35 37.488 16.783 23.932 1.00 0.00 C ATOM 807 O MET A 35 36.898 17.571 23.196 1.00 0.00 O ATOM 808 CB MET A 35 38.643 18.303 25.589 1.00 0.00 C ATOM 809 CG MET A 35 38.157 19.617 24.991 1.00 0.00 C ATOM 810 SD MET A 35 37.883 20.887 26.242 1.00 0.00 S ATOM 811 CE MET A 35 37.411 22.272 25.207 1.00 0.00 C ATOM 0 H MET A 35 40.008 18.495 23.476 1.00 0.00 H new ATOM 0 HA MET A 35 39.202 16.296 25.123 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.935 17.985 26.354 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.596 18.478 26.089 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.889 19.976 24.268 1.00 0.00 H new ATOM 0 HG3 MET A 35 37.229 19.443 24.446 1.00 0.00 H new ATOM 0 HE1 MET A 35 37.207 23.141 25.833 1.00 0.00 H new ATOM 0 HE2 MET A 35 38.223 22.504 24.517 1.00 0.00 H new ATOM 0 HE3 MET A 35 36.516 22.015 24.641 1.00 0.00 H new ATOM 821 N THR A 36 37.035 15.572 24.180 1.00 0.00 N ATOM 822 CA THR A 36 35.793 15.114 23.611 1.00 0.00 C ATOM 823 C THR A 36 34.678 15.187 24.646 1.00 0.00 C ATOM 824 O THR A 36 34.640 14.399 25.601 1.00 0.00 O ATOM 825 CB THR A 36 35.928 13.675 23.086 1.00 0.00 C ATOM 826 OG1 THR A 36 37.160 13.553 22.364 1.00 0.00 O ATOM 827 CG2 THR A 36 34.771 13.333 22.161 1.00 0.00 C ATOM 0 H THR A 36 37.510 14.891 24.772 1.00 0.00 H new ATOM 0 HA THR A 36 35.544 15.765 22.773 1.00 0.00 H new ATOM 0 HB THR A 36 35.916 12.988 23.932 1.00 0.00 H new ATOM 0 HG1 THR A 36 37.253 12.637 22.028 1.00 0.00 H new ATOM 0 HG21 THR A 36 34.884 12.311 21.800 1.00 0.00 H new ATOM 0 HG22 THR A 36 33.831 13.424 22.705 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.767 14.019 21.314 1.00 0.00 H new ATOM 835 N ASP A 37 33.782 16.134 24.456 1.00 0.00 N ATOM 836 CA ASP A 37 32.688 16.363 25.382 1.00 0.00 C ATOM 837 C ASP A 37 31.616 15.297 25.232 1.00 0.00 C ATOM 838 O ASP A 37 30.973 15.192 24.190 1.00 0.00 O ATOM 839 CB ASP A 37 32.089 17.751 25.156 1.00 0.00 C ATOM 840 CG ASP A 37 30.950 18.065 26.102 1.00 0.00 C ATOM 841 OD1 ASP A 37 31.212 18.279 27.297 1.00 0.00 O ATOM 842 OD2 ASP A 37 29.789 18.122 25.646 1.00 0.00 O ATOM 0 H ASP A 37 33.790 16.767 23.656 1.00 0.00 H new ATOM 0 HA ASP A 37 33.082 16.307 26.397 1.00 0.00 H new ATOM 0 HB2 ASP A 37 32.870 18.502 25.275 1.00 0.00 H new ATOM 0 HB3 ASP A 37 31.731 17.823 24.129 1.00 0.00 H new ATOM 847 N GLY A 38 31.441 14.500 26.272 1.00 0.00 N ATOM 848 CA GLY A 38 30.450 13.447 26.237 1.00 0.00 C ATOM 849 C GLY A 38 31.039 12.124 25.803 1.00 0.00 C ATOM 850 O GLY A 38 30.324 11.248 25.304 1.00 0.00 O ATOM 0 H GLY A 38 31.969 14.563 27.142 1.00 0.00 H new ATOM 0 HA2 GLY A 38 30.003 13.337 27.225 1.00 0.00 H new ATOM 0 HA3 GLY A 38 29.648 13.727 25.554 1.00 0.00 H new ATOM 854 N SER A 39 32.346 11.977 25.974 1.00 0.00 N ATOM 855 CA SER A 39 33.031 10.746 25.605 1.00 0.00 C ATOM 856 C SER A 39 34.294 10.547 26.443 1.00 0.00 C ATOM 857 O SER A 39 34.530 9.462 26.977 1.00 0.00 O ATOM 858 CB SER A 39 33.383 10.751 24.114 1.00 0.00 C ATOM 859 OG SER A 39 32.225 10.946 23.314 1.00 0.00 O ATOM 0 H SER A 39 32.954 12.696 26.366 1.00 0.00 H new ATOM 0 HA SER A 39 32.354 9.915 25.804 1.00 0.00 H new ATOM 0 HB2 SER A 39 34.106 11.541 23.911 1.00 0.00 H new ATOM 0 HB3 SER A 39 33.858 9.807 23.847 1.00 0.00 H new ATOM 0 HG SER A 39 32.478 10.946 22.367 1.00 0.00 H new ATOM 865 N GLY A 40 35.099 11.594 26.559 1.00 0.00 N ATOM 866 CA GLY A 40 36.318 11.500 27.334 1.00 0.00 C ATOM 867 C GLY A 40 37.461 12.249 26.689 1.00 0.00 C ATOM 868 O GLY A 40 37.294 13.391 26.243 1.00 0.00 O ATOM 0 H GLY A 40 34.930 12.504 26.131 1.00 0.00 H new ATOM 0 HA2 GLY A 40 36.143 11.898 28.334 1.00 0.00 H new ATOM 0 HA3 GLY A 40 36.593 10.452 27.451 1.00 0.00 H new ATOM 872 N VAL A 41 38.614 11.619 26.627 1.00 0.00 N ATOM 873 CA VAL A 41 39.784 12.240 26.042 1.00 0.00 C ATOM 874 C VAL A 41 39.965 11.790 24.596 1.00 0.00 C ATOM 875 O VAL A 41 39.887 10.600 24.287 1.00 0.00 O ATOM 876 CB VAL A 41 41.066 11.912 26.849 1.00 0.00 C ATOM 877 CG1 VAL A 41 42.276 12.636 26.269 1.00 0.00 C ATOM 878 CG2 VAL A 41 40.880 12.271 28.318 1.00 0.00 C ATOM 0 H VAL A 41 38.767 10.673 26.976 1.00 0.00 H new ATOM 0 HA VAL A 41 39.625 13.318 26.069 1.00 0.00 H new ATOM 0 HB VAL A 41 41.247 10.840 26.776 1.00 0.00 H new ATOM 0 HG11 VAL A 41 43.162 12.389 26.853 1.00 0.00 H new ATOM 0 HG12 VAL A 41 42.425 12.325 25.235 1.00 0.00 H new ATOM 0 HG13 VAL A 41 42.107 13.712 26.304 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.790 12.034 28.869 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.669 13.337 28.408 1.00 0.00 H new ATOM 0 HG23 VAL A 41 40.048 11.700 28.730 1.00 0.00 H new ATOM 888 N GLY A 42 40.187 12.746 23.719 1.00 0.00 N ATOM 889 CA GLY A 42 40.405 12.448 22.331 1.00 0.00 C ATOM 890 C GLY A 42 41.814 12.788 21.916 1.00 0.00 C ATOM 891 O GLY A 42 42.445 13.684 22.494 1.00 0.00 O ATOM 0 H GLY A 42 40.220 13.739 23.950 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.215 11.390 22.149 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.698 13.009 21.720 1.00 0.00 H new ATOM 895 N VAL A 43 42.314 12.084 20.934 1.00 0.00 N ATOM 896 CA VAL A 43 43.662 12.288 20.457 1.00 0.00 C ATOM 897 C VAL A 43 43.650 12.633 18.971 1.00 0.00 C ATOM 898 O VAL A 43 43.054 11.917 18.168 1.00 0.00 O ATOM 899 CB VAL A 43 44.527 11.018 20.679 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.969 11.269 20.288 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.441 10.549 22.126 1.00 0.00 C ATOM 0 H VAL A 43 41.801 11.353 20.441 1.00 0.00 H new ATOM 0 HA VAL A 43 44.095 13.114 21.021 1.00 0.00 H new ATOM 0 HB VAL A 43 44.132 10.229 20.039 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.554 10.364 20.453 1.00 0.00 H new ATOM 0 HG12 VAL A 43 46.018 11.545 19.235 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.375 12.079 20.895 1.00 0.00 H new ATOM 0 HG21 VAL A 43 45.055 9.658 22.257 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.801 11.338 22.786 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.405 10.315 22.372 1.00 0.00 H new ATOM 911 N ILE A 44 44.293 13.732 18.610 1.00 0.00 N ATOM 912 CA ILE A 44 44.373 14.143 17.221 1.00 0.00 C ATOM 913 C ILE A 44 45.589 13.503 16.565 1.00 0.00 C ATOM 914 O ILE A 44 46.743 13.806 16.912 1.00 0.00 O ATOM 915 CB ILE A 44 44.417 15.685 17.069 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.101 16.291 17.559 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.683 16.082 15.619 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.072 17.804 17.522 1.00 0.00 C ATOM 0 H ILE A 44 44.768 14.356 19.263 1.00 0.00 H new ATOM 0 HA ILE A 44 43.468 13.802 16.718 1.00 0.00 H new ATOM 0 HB ILE A 44 45.235 16.072 17.677 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.285 15.907 16.947 1.00 0.00 H new ATOM 0 HG13 ILE A 44 42.917 15.959 18.581 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.709 17.169 15.538 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.641 15.671 15.299 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.889 15.690 14.983 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.107 18.158 17.884 1.00 0.00 H new ATOM 0 HD12 ILE A 44 43.865 18.199 18.157 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.223 18.146 16.498 1.00 0.00 H new ATOM 930 N VAL A 45 45.325 12.613 15.634 1.00 0.00 N ATOM 931 CA VAL A 45 46.360 11.844 14.984 1.00 0.00 C ATOM 932 C VAL A 45 46.537 12.263 13.529 1.00 0.00 C ATOM 933 O VAL A 45 45.560 12.409 12.787 1.00 0.00 O ATOM 934 CB VAL A 45 46.024 10.337 15.035 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.148 9.505 14.439 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.731 9.902 16.463 1.00 0.00 C ATOM 0 H VAL A 45 44.382 12.402 15.306 1.00 0.00 H new ATOM 0 HA VAL A 45 47.290 12.035 15.520 1.00 0.00 H new ATOM 0 HB VAL A 45 45.130 10.171 14.434 1.00 0.00 H new ATOM 0 HG11 VAL A 45 46.884 8.449 14.488 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.301 9.793 13.399 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.065 9.676 15.002 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.497 8.838 16.478 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.605 10.090 17.087 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.882 10.466 16.848 1.00 0.00 H new ATOM 946 N THR A 46 47.777 12.457 13.136 1.00 0.00 N ATOM 947 CA THR A 46 48.108 12.793 11.775 1.00 0.00 C ATOM 948 C THR A 46 48.767 11.591 11.096 1.00 0.00 C ATOM 949 O THR A 46 49.742 11.029 11.611 1.00 0.00 O ATOM 950 CB THR A 46 49.052 14.009 11.719 1.00 0.00 C ATOM 951 OG1 THR A 46 48.469 15.100 12.452 1.00 0.00 O ATOM 952 CG2 THR A 46 49.301 14.442 10.280 1.00 0.00 C ATOM 0 H THR A 46 48.584 12.385 13.756 1.00 0.00 H new ATOM 0 HA THR A 46 47.189 13.052 11.250 1.00 0.00 H new ATOM 0 HB THR A 46 50.006 13.726 12.164 1.00 0.00 H new ATOM 0 HG1 THR A 46 48.761 15.950 12.061 1.00 0.00 H new ATOM 0 HG21 THR A 46 49.970 15.302 10.270 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.757 13.621 9.727 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.354 14.713 9.813 1.00 0.00 H new ATOM 960 N PHE A 47 48.224 11.188 9.965 1.00 0.00 N ATOM 961 CA PHE A 47 48.732 10.033 9.241 1.00 0.00 C ATOM 962 C PHE A 47 49.582 10.461 8.061 1.00 0.00 C ATOM 963 O PHE A 47 49.818 11.655 7.848 1.00 0.00 O ATOM 964 CB PHE A 47 47.568 9.165 8.751 1.00 0.00 C ATOM 965 CG PHE A 47 46.747 8.580 9.850 1.00 0.00 C ATOM 966 CD1 PHE A 47 47.111 7.382 10.439 1.00 0.00 C ATOM 967 CD2 PHE A 47 45.612 9.225 10.296 1.00 0.00 C ATOM 968 CE1 PHE A 47 46.355 6.839 11.453 1.00 0.00 C ATOM 969 CE2 PHE A 47 44.853 8.690 11.307 1.00 0.00 C ATOM 970 CZ PHE A 47 45.225 7.491 11.889 1.00 0.00 C ATOM 0 H PHE A 47 47.426 11.644 9.523 1.00 0.00 H new ATOM 0 HA PHE A 47 49.355 9.454 9.923 1.00 0.00 H new ATOM 0 HB2 PHE A 47 46.924 9.767 8.110 1.00 0.00 H new ATOM 0 HB3 PHE A 47 47.964 8.357 8.136 1.00 0.00 H new ATOM 0 HD1 PHE A 47 47.998 6.867 10.099 1.00 0.00 H new ATOM 0 HD2 PHE A 47 45.317 10.161 9.845 1.00 0.00 H new ATOM 0 HE1 PHE A 47 46.648 5.903 11.905 1.00 0.00 H new ATOM 0 HE2 PHE A 47 43.967 9.204 11.648 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.629 7.068 12.684 1.00 0.00 H new ATOM 980 N ASP A 48 50.040 9.483 7.292 1.00 0.00 N ATOM 981 CA ASP A 48 50.816 9.739 6.084 1.00 0.00 C ATOM 982 C ASP A 48 49.916 10.325 5.012 1.00 0.00 C ATOM 983 O ASP A 48 50.381 10.820 3.987 1.00 0.00 O ATOM 984 CB ASP A 48 51.460 8.455 5.583 1.00 0.00 C ATOM 985 CG ASP A 48 50.441 7.399 5.225 1.00 0.00 C ATOM 986 OD1 ASP A 48 49.973 6.698 6.137 1.00 0.00 O ATOM 987 OD2 ASP A 48 50.100 7.271 4.030 1.00 0.00 O ATOM 0 H ASP A 48 49.886 8.494 7.486 1.00 0.00 H new ATOM 0 HA ASP A 48 51.606 10.452 6.318 1.00 0.00 H new ATOM 0 HB2 ASP A 48 52.072 8.676 4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 48 52.129 8.065 6.350 1.00 0.00 H new ATOM 992 N ASP A 49 48.613 10.266 5.275 1.00 0.00 N ATOM 993 CA ASP A 49 47.592 10.833 4.400 1.00 0.00 C ATOM 994 C ASP A 49 47.692 12.352 4.376 1.00 0.00 C ATOM 995 O ASP A 49 46.969 13.011 3.635 1.00 0.00 O ATOM 996 CB ASP A 49 46.192 10.453 4.904 1.00 0.00 C ATOM 997 CG ASP A 49 45.923 8.965 4.897 1.00 0.00 C ATOM 998 OD1 ASP A 49 46.567 8.233 5.678 1.00 0.00 O ATOM 999 OD2 ASP A 49 45.043 8.524 4.129 1.00 0.00 O ATOM 0 H ASP A 49 48.233 9.819 6.109 1.00 0.00 H new ATOM 0 HA ASP A 49 47.753 10.436 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 49 46.067 10.830 5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 49 45.446 10.950 4.284 1.00 0.00 H new ATOM 1004 N ARG A 50 48.572 12.899 5.241 1.00 0.00 N ATOM 1005 CA ARG A 50 48.792 14.353 5.384 1.00 0.00 C ATOM 1006 C ARG A 50 47.628 15.002 6.120 1.00 0.00 C ATOM 1007 O ARG A 50 47.655 16.192 6.422 1.00 0.00 O ATOM 1008 CB ARG A 50 48.991 15.034 4.024 1.00 0.00 C ATOM 1009 CG ARG A 50 50.115 14.452 3.185 1.00 0.00 C ATOM 1010 CD ARG A 50 50.104 15.040 1.786 1.00 0.00 C ATOM 1011 NE ARG A 50 48.789 14.898 1.150 1.00 0.00 N ATOM 1012 CZ ARG A 50 48.593 14.708 -0.154 1.00 0.00 C ATOM 1013 NH1 ARG A 50 49.626 14.610 -0.986 1.00 0.00 N ATOM 1014 NH2 ARG A 50 47.357 14.613 -0.625 1.00 0.00 N ATOM 0 H ARG A 50 49.154 12.339 5.864 1.00 0.00 H new ATOM 0 HA ARG A 50 49.704 14.486 5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.061 14.967 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 50 49.189 16.093 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.074 14.655 3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 50 50.010 13.368 3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 50 50.374 16.095 1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 50 50.859 14.544 1.176 1.00 0.00 H new ATOM 0 HE ARG A 50 47.966 14.948 1.750 1.00 0.00 H new ATOM 0 HH11 ARG A 50 50.578 14.680 -0.627 1.00 0.00 H new ATOM 0 HH12 ARG A 50 49.466 14.465 -1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 50 46.562 14.685 0.010 1.00 0.00 H new ATOM 0 HH22 ARG A 50 47.201 14.468 -1.622 1.00 0.00 H new ATOM 1028 N SER A 51 46.618 14.213 6.411 1.00 0.00 N ATOM 1029 CA SER A 51 45.440 14.693 7.084 1.00 0.00 C ATOM 1030 C SER A 51 45.455 14.255 8.540 1.00 0.00 C ATOM 1031 O SER A 51 46.106 13.258 8.898 1.00 0.00 O ATOM 1032 CB SER A 51 44.185 14.163 6.381 1.00 0.00 C ATOM 1033 OG SER A 51 43.007 14.733 6.924 1.00 0.00 O ATOM 0 H SER A 51 46.594 13.219 6.185 1.00 0.00 H new ATOM 0 HA SER A 51 45.429 15.782 7.049 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.241 14.387 5.316 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.143 13.078 6.477 1.00 0.00 H new ATOM 0 HG SER A 51 42.224 14.377 6.454 1.00 0.00 H new ATOM 1039 N SER A 52 44.757 14.995 9.373 1.00 0.00 N ATOM 1040 CA SER A 52 44.680 14.698 10.778 1.00 0.00 C ATOM 1041 C SER A 52 43.227 14.547 11.216 1.00 0.00 C ATOM 1042 O SER A 52 42.343 15.286 10.758 1.00 0.00 O ATOM 1043 CB SER A 52 45.380 15.794 11.586 1.00 0.00 C ATOM 1044 OG SER A 52 44.918 17.088 11.212 1.00 0.00 O ATOM 0 H SER A 52 44.228 15.820 9.090 1.00 0.00 H new ATOM 0 HA SER A 52 45.188 13.752 10.964 1.00 0.00 H new ATOM 0 HB2 SER A 52 45.201 15.635 12.649 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.457 15.731 11.431 1.00 0.00 H new ATOM 0 HG SER A 52 45.381 17.767 11.745 1.00 0.00 H new ATOM 1050 N THR A 53 42.984 13.592 12.080 1.00 0.00 N ATOM 1051 CA THR A 53 41.658 13.343 12.589 1.00 0.00 C ATOM 1052 C THR A 53 41.747 12.949 14.057 1.00 0.00 C ATOM 1053 O THR A 53 42.820 12.586 14.541 1.00 0.00 O ATOM 1054 CB THR A 53 40.933 12.241 11.767 1.00 0.00 C ATOM 1055 OG1 THR A 53 39.580 12.074 12.224 1.00 0.00 O ATOM 1056 CG2 THR A 53 41.670 10.918 11.853 1.00 0.00 C ATOM 0 H THR A 53 43.699 12.966 12.450 1.00 0.00 H new ATOM 0 HA THR A 53 41.070 14.256 12.494 1.00 0.00 H new ATOM 0 HB THR A 53 40.920 12.563 10.726 1.00 0.00 H new ATOM 0 HG1 THR A 53 39.139 11.378 11.694 1.00 0.00 H new ATOM 0 HG21 THR A 53 41.139 10.167 11.268 1.00 0.00 H new ATOM 0 HG22 THR A 53 42.679 11.038 11.459 1.00 0.00 H new ATOM 0 HG23 THR A 53 41.722 10.597 12.894 1.00 0.00 H new ATOM 1064 N TRP A 54 40.642 13.030 14.762 1.00 0.00 N ATOM 1065 CA TRP A 54 40.638 12.729 16.176 1.00 0.00 C ATOM 1066 C TRP A 54 40.079 11.345 16.448 1.00 0.00 C ATOM 1067 O TRP A 54 39.118 10.910 15.809 1.00 0.00 O ATOM 1068 CB TRP A 54 39.849 13.790 16.956 1.00 0.00 C ATOM 1069 CG TRP A 54 38.402 13.897 16.557 1.00 0.00 C ATOM 1070 CD1 TRP A 54 37.893 14.565 15.479 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.278 13.327 17.241 1.00 0.00 C ATOM 1072 NE1 TRP A 54 36.527 14.437 15.448 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.124 13.682 16.518 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.139 12.545 18.393 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 34.849 13.286 16.910 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 35.871 12.154 18.781 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.741 12.524 18.041 1.00 0.00 C ATOM 0 H TRP A 54 39.736 13.301 14.381 1.00 0.00 H new ATOM 0 HA TRP A 54 41.673 12.744 16.518 1.00 0.00 H new ATOM 0 HB2 TRP A 54 39.905 13.560 18.020 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.326 14.760 16.814 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.480 15.113 14.757 1.00 0.00 H new ATOM 0 HE1 TRP A 54 35.911 14.839 14.742 1.00 0.00 H new ATOM 0 HE3 TRP A 54 38.005 12.253 18.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 33.976 13.570 16.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.750 11.553 19.670 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.764 12.201 18.370 1.00 0.00 H new ATOM 1088 N PHE A 55 40.700 10.659 17.377 1.00 0.00 N ATOM 1089 CA PHE A 55 40.257 9.347 17.798 1.00 0.00 C ATOM 1090 C PHE A 55 40.079 9.340 19.294 1.00 0.00 C ATOM 1091 O PHE A 55 40.567 10.240 19.986 1.00 0.00 O ATOM 1092 CB PHE A 55 41.273 8.275 17.410 1.00 0.00 C ATOM 1093 CG PHE A 55 41.473 8.111 15.938 1.00 0.00 C ATOM 1094 CD1 PHE A 55 40.556 7.412 15.172 1.00 0.00 C ATOM 1095 CD2 PHE A 55 42.582 8.646 15.322 1.00 0.00 C ATOM 1096 CE1 PHE A 55 40.746 7.255 13.815 1.00 0.00 C ATOM 1097 CE2 PHE A 55 42.780 8.493 13.973 1.00 0.00 C ATOM 1098 CZ PHE A 55 41.860 7.795 13.214 1.00 0.00 C ATOM 0 H PHE A 55 41.530 10.994 17.866 1.00 0.00 H new ATOM 0 HA PHE A 55 39.312 9.126 17.302 1.00 0.00 H new ATOM 0 HB2 PHE A 55 42.231 8.518 17.869 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.953 7.321 17.828 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.682 6.985 15.642 1.00 0.00 H new ATOM 0 HD2 PHE A 55 43.305 9.193 15.908 1.00 0.00 H new ATOM 0 HE1 PHE A 55 40.023 6.710 13.226 1.00 0.00 H new ATOM 0 HE2 PHE A 55 43.655 8.918 13.504 1.00 0.00 H new ATOM 0 HZ PHE A 55 42.015 7.674 12.152 1.00 0.00 H new ATOM 1108 N PHE A 56 39.395 8.346 19.802 1.00 0.00 N ATOM 1109 CA PHE A 56 39.197 8.232 21.231 1.00 0.00 C ATOM 1110 C PHE A 56 40.445 7.665 21.900 1.00 0.00 C ATOM 1111 O PHE A 56 41.230 6.942 21.275 1.00 0.00 O ATOM 1112 CB PHE A 56 37.972 7.371 21.557 1.00 0.00 C ATOM 1113 CG PHE A 56 36.684 7.906 20.986 1.00 0.00 C ATOM 1114 CD1 PHE A 56 35.967 8.883 21.656 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.193 7.432 19.780 1.00 0.00 C ATOM 1116 CE1 PHE A 56 34.787 9.375 21.134 1.00 0.00 C ATOM 1117 CE2 PHE A 56 35.014 7.921 19.254 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.310 8.894 19.932 1.00 0.00 C ATOM 0 H PHE A 56 38.965 7.603 19.251 1.00 0.00 H new ATOM 0 HA PHE A 56 39.015 9.232 21.624 1.00 0.00 H new ATOM 0 HB2 PHE A 56 38.136 6.363 21.177 1.00 0.00 H new ATOM 0 HB3 PHE A 56 37.873 7.291 22.640 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.335 9.264 22.597 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.740 6.670 19.245 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.237 10.137 21.667 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.643 7.542 18.313 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.387 9.279 19.523 1.00 0.00 H new ATOM 1128 N GLU A 57 40.621 8.003 23.163 1.00 0.00 N ATOM 1129 CA GLU A 57 41.767 7.568 23.964 1.00 0.00 C ATOM 1130 C GLU A 57 42.003 6.042 23.903 1.00 0.00 C ATOM 1131 O GLU A 57 43.135 5.596 23.729 1.00 0.00 O ATOM 1132 CB GLU A 57 41.567 8.017 25.409 1.00 0.00 C ATOM 1133 CG GLU A 57 40.167 7.725 25.940 1.00 0.00 C ATOM 1134 CD GLU A 57 39.971 8.169 27.367 1.00 0.00 C ATOM 1135 OE1 GLU A 57 40.662 7.648 28.251 1.00 0.00 O ATOM 1136 OE2 GLU A 57 39.110 9.045 27.612 1.00 0.00 O ATOM 0 H GLU A 57 39.968 8.595 23.676 1.00 0.00 H new ATOM 0 HA GLU A 57 42.658 8.032 23.542 1.00 0.00 H new ATOM 0 HB2 GLU A 57 42.300 7.518 26.043 1.00 0.00 H new ATOM 0 HB3 GLU A 57 41.760 9.087 25.480 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.433 8.224 25.307 1.00 0.00 H new ATOM 0 HG3 GLU A 57 39.974 6.655 25.869 1.00 0.00 H new ATOM 1143 N ASP A 58 40.939 5.252 24.034 1.00 0.00 N ATOM 1144 CA ASP A 58 41.066 3.785 24.026 1.00 0.00 C ATOM 1145 C ASP A 58 41.020 3.244 22.604 1.00 0.00 C ATOM 1146 O ASP A 58 41.365 2.087 22.350 1.00 0.00 O ATOM 1147 CB ASP A 58 39.939 3.137 24.844 1.00 0.00 C ATOM 1148 CG ASP A 58 38.651 2.974 24.046 1.00 0.00 C ATOM 1149 OD1 ASP A 58 37.980 3.989 23.777 1.00 0.00 O ATOM 1150 OD2 ASP A 58 38.309 1.818 23.691 1.00 0.00 O ATOM 0 H ASP A 58 39.984 5.593 24.146 1.00 0.00 H new ATOM 0 HA ASP A 58 42.028 3.537 24.474 1.00 0.00 H new ATOM 0 HB2 ASP A 58 40.268 2.160 25.198 1.00 0.00 H new ATOM 0 HB3 ASP A 58 39.740 3.745 25.726 1.00 0.00 H new ATOM 1155 N GLU A 59 40.620 4.093 21.691 1.00 0.00 N ATOM 1156 CA GLU A 59 40.442 3.722 20.302 1.00 0.00 C ATOM 1157 C GLU A 59 41.787 3.606 19.579 1.00 0.00 C ATOM 1158 O GLU A 59 41.920 2.878 18.587 1.00 0.00 O ATOM 1159 CB GLU A 59 39.513 4.750 19.657 1.00 0.00 C ATOM 1160 CG GLU A 59 39.426 4.734 18.165 1.00 0.00 C ATOM 1161 CD GLU A 59 38.314 5.628 17.682 1.00 0.00 C ATOM 1162 OE1 GLU A 59 38.509 6.851 17.657 1.00 0.00 O ATOM 1163 OE2 GLU A 59 37.229 5.109 17.373 1.00 0.00 O ATOM 0 H GLU A 59 40.406 5.071 21.888 1.00 0.00 H new ATOM 0 HA GLU A 59 39.987 2.734 20.227 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.510 4.601 20.058 1.00 0.00 H new ATOM 0 HB3 GLU A 59 39.836 5.743 19.968 1.00 0.00 H new ATOM 0 HG2 GLU A 59 40.374 5.062 17.738 1.00 0.00 H new ATOM 0 HG3 GLU A 59 39.256 3.715 17.818 1.00 0.00 H new ATOM 1170 N VAL A 60 42.790 4.277 20.105 1.00 0.00 N ATOM 1171 CA VAL A 60 44.125 4.197 19.547 1.00 0.00 C ATOM 1172 C VAL A 60 45.092 3.580 20.547 1.00 0.00 C ATOM 1173 O VAL A 60 44.929 3.733 21.761 1.00 0.00 O ATOM 1174 CB VAL A 60 44.658 5.574 19.084 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.930 6.035 17.832 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.529 6.611 20.194 1.00 0.00 C ATOM 0 H VAL A 60 42.707 4.885 20.920 1.00 0.00 H new ATOM 0 HA VAL A 60 44.056 3.558 18.667 1.00 0.00 H new ATOM 0 HB VAL A 60 45.716 5.465 18.847 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.318 7.005 17.522 1.00 0.00 H new ATOM 0 HG12 VAL A 60 44.085 5.310 17.033 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.864 6.121 18.042 1.00 0.00 H new ATOM 0 HG21 VAL A 60 44.911 7.570 19.843 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.480 6.718 20.472 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.104 6.288 21.062 1.00 0.00 H new ATOM 1186 N GLU A 61 46.070 2.867 20.040 1.00 0.00 N ATOM 1187 CA GLU A 61 47.070 2.224 20.875 1.00 0.00 C ATOM 1188 C GLU A 61 48.423 2.888 20.678 1.00 0.00 C ATOM 1189 O GLU A 61 48.800 3.217 19.552 1.00 0.00 O ATOM 1190 CB GLU A 61 47.159 0.729 20.541 1.00 0.00 C ATOM 1191 CG GLU A 61 47.396 0.448 19.066 1.00 0.00 C ATOM 1192 CD GLU A 61 47.523 -1.022 18.754 1.00 0.00 C ATOM 1193 OE1 GLU A 61 46.554 -1.771 18.967 1.00 0.00 O ATOM 1194 OE2 GLU A 61 48.587 -1.432 18.260 1.00 0.00 O ATOM 0 H GLU A 61 46.199 2.714 19.040 1.00 0.00 H new ATOM 0 HA GLU A 61 46.776 2.331 21.919 1.00 0.00 H new ATOM 0 HB2 GLU A 61 47.967 0.283 21.122 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.236 0.240 20.852 1.00 0.00 H new ATOM 0 HG2 GLU A 61 46.573 0.866 18.486 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.303 0.960 18.746 1.00 0.00 H new ATOM 1201 N VAL A 62 49.144 3.096 21.765 1.00 0.00 N ATOM 1202 CA VAL A 62 50.455 3.718 21.697 1.00 0.00 C ATOM 1203 C VAL A 62 51.474 2.731 21.149 1.00 0.00 C ATOM 1204 O VAL A 62 51.742 1.700 21.760 1.00 0.00 O ATOM 1205 CB VAL A 62 50.920 4.226 23.080 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.265 4.932 22.972 1.00 0.00 C ATOM 1207 CG2 VAL A 62 49.875 5.154 23.685 1.00 0.00 C ATOM 0 H VAL A 62 48.844 2.843 22.707 1.00 0.00 H new ATOM 0 HA VAL A 62 50.376 4.576 21.030 1.00 0.00 H new ATOM 0 HB VAL A 62 51.040 3.365 23.738 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.573 5.281 23.958 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.010 4.238 22.584 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.176 5.783 22.297 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.218 5.503 24.659 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.723 6.009 23.026 1.00 0.00 H new ATOM 0 HG23 VAL A 62 48.935 4.615 23.803 1.00 0.00 H new ATOM 1217 N VAL A 63 52.023 3.045 19.996 1.00 0.00 N ATOM 1218 CA VAL A 63 52.983 2.174 19.359 1.00 0.00 C ATOM 1219 C VAL A 63 54.363 2.808 19.373 1.00 0.00 C ATOM 1220 O VAL A 63 54.629 3.772 18.658 1.00 0.00 O ATOM 1221 CB VAL A 63 52.578 1.851 17.903 1.00 0.00 C ATOM 1222 CG1 VAL A 63 53.526 0.832 17.296 1.00 0.00 C ATOM 1223 CG2 VAL A 63 51.147 1.343 17.846 1.00 0.00 C ATOM 0 H VAL A 63 51.819 3.901 19.480 1.00 0.00 H new ATOM 0 HA VAL A 63 53.004 1.242 19.924 1.00 0.00 H new ATOM 0 HB VAL A 63 52.642 2.770 17.320 1.00 0.00 H new ATOM 0 HG11 VAL A 63 53.223 0.619 16.271 1.00 0.00 H new ATOM 0 HG12 VAL A 63 54.540 1.232 17.299 1.00 0.00 H new ATOM 0 HG13 VAL A 63 53.496 -0.087 17.882 1.00 0.00 H new ATOM 0 HG21 VAL A 63 50.881 1.121 16.813 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.058 0.437 18.446 1.00 0.00 H new ATOM 0 HG23 VAL A 63 50.474 2.106 18.238 1.00 0.00 H new ATOM 1233 N GLY A 64 55.228 2.261 20.179 1.00 0.00 N ATOM 1234 CA GLY A 64 56.567 2.764 20.295 1.00 0.00 C ATOM 1235 C GLY A 64 57.238 2.202 21.511 1.00 0.00 C ATOM 1236 O GLY A 64 56.889 1.070 21.903 1.00 0.00 O ATOM 1237 OXT GLY A 64 58.101 2.878 22.094 1.00 0.00 O ATOM 0 H GLY A 64 55.026 1.456 20.772 1.00 0.00 H new ATOM 0 HA2 GLY A 64 57.138 2.502 19.404 1.00 0.00 H new ATOM 0 HA3 GLY A 64 56.549 3.852 20.353 1.00 0.00 H new TER 1241 GLY A 64