USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=17 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 -10 SER OG : rot 3:sc= 1.4 USER MOD Set 1.2: A -14 MET N :NH3+ -177:sc= 0.541 (180deg=-0.0672) USER MOD Set 2.1: A 31 THR OG1 : rot -127:sc= 1.23 USER MOD Set 2.2: A 46 THR OG1 : rot -170:sc= 1.08 USER MOD Set 3.1: A 36 THR OG1 : rot 25:sc= 1 USER MOD Set 3.2: A 39 SER OG : rot 169:sc= 0.813 USER MOD Set 4.1: A 23 LYS NZ :NH3+ 144:sc= 0.114 (180deg=-0.466) USER MOD Set 4.2: A 26 GLN : amide:sc= -0.578 K(o=-0.46,f=-1.9!) USER MOD Single : A 1 MET CE :methyl -156:sc= -0.134 (180deg=-0.711) USER MOD Single : A 5 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 171:sc= 1.02 (180deg=0.589) USER MOD Single : A -7 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A -9 HIS : no HE2:sc= 0.652 K(o=0.65,f=-2.1!) USER MOD Single : A 10 CYS SG : rot -15:sc= -1.29! USER MOD Single : A 18 GLN :FLIP amide:sc= -0.243 F(o=-1.1,f=-0.24) USER MOD Single : A 22 GLN : amide:sc= 0.622 K(o=0.62,f=-0.32) USER MOD Single : A 29 GLN : amide:sc= 1.08 K(o=1.1,f=-0.34) USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00176) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.081 USER MOD Single : A -12 SER OG : rot 27:sc= 0.116 USER MOD Single : A -14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -14 50.587 26.013 36.445 1.00 0.00 N ATOM 2 CA MET A -14 50.510 26.675 37.763 1.00 0.00 C ATOM 3 C MET A -14 49.491 27.805 37.729 1.00 0.00 C ATOM 4 O MET A -14 49.415 28.546 36.743 1.00 0.00 O ATOM 5 CB MET A -14 51.891 27.190 38.210 1.00 0.00 C ATOM 6 CG MET A -14 52.556 28.150 37.235 1.00 0.00 C ATOM 7 SD MET A -14 54.176 28.706 37.808 1.00 0.00 S ATOM 8 CE MET A -14 54.624 29.839 36.495 1.00 0.00 C ATOM 0 H1 MET A -14 51.248 25.212 36.497 1.00 0.00 H new ATOM 0 H2 MET A -14 49.644 25.667 36.175 1.00 0.00 H new ATOM 0 H3 MET A -14 50.923 26.694 35.734 1.00 0.00 H new ATOM 0 HA MET A -14 50.182 25.938 38.496 1.00 0.00 H new ATOM 0 HB2 MET A -14 51.784 27.688 39.174 1.00 0.00 H new ATOM 0 HB3 MET A -14 52.550 26.336 38.364 1.00 0.00 H new ATOM 0 HG2 MET A -14 52.665 27.662 36.267 1.00 0.00 H new ATOM 0 HG3 MET A -14 51.911 29.015 37.085 1.00 0.00 H new ATOM 0 HE1 MET A -14 55.604 30.268 36.703 1.00 0.00 H new ATOM 0 HE2 MET A -14 54.656 29.302 35.547 1.00 0.00 H new ATOM 0 HE3 MET A -14 53.884 30.637 36.435 1.00 0.00 H new ATOM 20 N ALA A -13 48.708 27.919 38.818 1.00 0.00 N ATOM 21 CA ALA A -13 47.612 28.900 38.944 1.00 0.00 C ATOM 22 C ALA A -13 46.426 28.493 38.078 1.00 0.00 C ATOM 23 O ALA A -13 46.593 28.123 36.914 1.00 0.00 O ATOM 24 CB ALA A -13 48.068 30.322 38.619 1.00 0.00 C ATOM 0 H ALA A -13 48.819 27.328 39.642 1.00 0.00 H new ATOM 0 HA ALA A -13 47.296 28.901 39.987 1.00 0.00 H new ATOM 0 HB1 ALA A -13 47.227 31.007 38.726 1.00 0.00 H new ATOM 0 HB2 ALA A -13 48.864 30.615 39.304 1.00 0.00 H new ATOM 0 HB3 ALA A -13 48.439 30.360 37.595 1.00 0.00 H new ATOM 30 N SER A -12 45.229 28.547 38.660 1.00 0.00 N ATOM 31 CA SER A -12 44.008 28.128 37.977 1.00 0.00 C ATOM 32 C SER A -12 44.080 26.619 37.688 1.00 0.00 C ATOM 33 O SER A -12 44.855 25.897 38.329 1.00 0.00 O ATOM 34 CB SER A -12 43.804 28.943 36.677 1.00 0.00 C ATOM 35 OG SER A -12 42.531 28.692 36.096 1.00 0.00 O ATOM 0 H SER A -12 45.079 28.880 39.612 1.00 0.00 H new ATOM 0 HA SER A -12 43.148 28.320 38.618 1.00 0.00 H new ATOM 0 HB2 SER A -12 43.902 30.007 36.895 1.00 0.00 H new ATOM 0 HB3 SER A -12 44.587 28.691 35.962 1.00 0.00 H new ATOM 0 HG SER A -12 41.899 28.424 36.796 1.00 0.00 H new ATOM 41 N TRP A -11 43.282 26.146 36.750 1.00 0.00 N ATOM 42 CA TRP A -11 43.283 24.734 36.388 1.00 0.00 C ATOM 43 C TRP A -11 44.568 24.378 35.639 1.00 0.00 C ATOM 44 O TRP A -11 45.064 23.254 35.742 1.00 0.00 O ATOM 45 CB TRP A -11 42.040 24.380 35.550 1.00 0.00 C ATOM 46 CG TRP A -11 41.970 25.082 34.224 1.00 0.00 C ATOM 47 CD1 TRP A -11 41.792 26.417 34.008 1.00 0.00 C ATOM 48 CD2 TRP A -11 42.059 24.477 32.929 1.00 0.00 C ATOM 49 NE1 TRP A -11 41.784 26.680 32.665 1.00 0.00 N ATOM 50 CE2 TRP A -11 41.944 25.509 31.980 1.00 0.00 C ATOM 51 CE3 TRP A -11 42.233 23.167 32.483 1.00 0.00 C ATOM 52 CZ2 TRP A -11 41.996 25.269 30.613 1.00 0.00 C ATOM 53 CZ3 TRP A -11 42.281 22.931 31.123 1.00 0.00 C ATOM 54 CH2 TRP A -11 42.165 23.976 30.202 1.00 0.00 C ATOM 0 H TRP A -11 42.622 26.717 36.222 1.00 0.00 H new ATOM 0 HA TRP A -11 43.245 24.144 37.304 1.00 0.00 H new ATOM 0 HB2 TRP A -11 42.025 23.304 35.380 1.00 0.00 H new ATOM 0 HB3 TRP A -11 41.147 24.624 36.125 1.00 0.00 H new ATOM 0 HD1 TRP A -11 41.674 27.159 34.784 1.00 0.00 H new ATOM 0 HE1 TRP A -11 41.676 27.602 32.243 1.00 0.00 H new ATOM 0 HE3 TRP A -11 42.328 22.354 33.187 1.00 0.00 H new ATOM 0 HZ2 TRP A -11 41.906 26.075 29.900 1.00 0.00 H new ATOM 0 HZ3 TRP A -11 42.411 21.920 30.765 1.00 0.00 H new ATOM 0 HH2 TRP A -11 42.210 23.758 29.145 1.00 0.00 H new ATOM 65 N SER A -10 45.099 25.362 34.892 1.00 0.00 N ATOM 66 CA SER A -10 46.346 25.222 34.126 1.00 0.00 C ATOM 67 C SER A -10 46.231 24.206 32.982 1.00 0.00 C ATOM 68 O SER A -10 46.266 24.567 31.806 1.00 0.00 O ATOM 69 CB SER A -10 47.516 24.834 35.045 1.00 0.00 C ATOM 70 OG SER A -10 47.729 25.798 36.063 1.00 0.00 O ATOM 0 H SER A -10 44.670 26.283 34.804 1.00 0.00 H new ATOM 0 HA SER A -10 46.539 26.198 33.681 1.00 0.00 H new ATOM 0 HB2 SER A -10 47.315 23.864 35.500 1.00 0.00 H new ATOM 0 HB3 SER A -10 48.424 24.726 34.451 1.00 0.00 H new ATOM 0 HG SER A -10 47.051 26.502 35.994 1.00 0.00 H new ATOM 76 N HIS A -9 46.075 22.950 33.335 1.00 0.00 N ATOM 77 CA HIS A -9 46.063 21.873 32.369 1.00 0.00 C ATOM 78 C HIS A -9 44.904 20.924 32.632 1.00 0.00 C ATOM 79 O HIS A -9 44.418 20.834 33.762 1.00 0.00 O ATOM 80 CB HIS A -9 47.386 21.093 32.446 1.00 0.00 C ATOM 81 CG HIS A -9 47.637 20.443 33.788 1.00 0.00 C ATOM 82 ND1 HIS A -9 47.269 19.146 34.083 1.00 0.00 N ATOM 83 CD2 HIS A -9 48.219 20.926 34.913 1.00 0.00 C ATOM 84 CE1 HIS A -9 47.610 18.862 35.325 1.00 0.00 C ATOM 85 NE2 HIS A -9 48.188 19.925 35.850 1.00 0.00 N ATOM 0 H HIS A -9 45.953 22.645 34.301 1.00 0.00 H new ATOM 0 HA HIS A -9 45.944 22.305 31.375 1.00 0.00 H new ATOM 0 HB2 HIS A -9 47.388 20.323 31.674 1.00 0.00 H new ATOM 0 HB3 HIS A -9 48.210 21.771 32.222 1.00 0.00 H new ATOM 0 HD1 HIS A -9 46.805 18.505 33.439 1.00 0.00 H new ATOM 0 HD2 HIS A -9 48.631 21.915 35.047 1.00 0.00 H new ATOM 0 HE1 HIS A -9 47.444 17.920 35.826 1.00 0.00 H new ATOM 93 N PRO A -8 44.439 20.207 31.594 1.00 0.00 N ATOM 94 CA PRO A -8 43.393 19.202 31.746 1.00 0.00 C ATOM 95 C PRO A -8 43.916 18.001 32.524 1.00 0.00 C ATOM 96 O PRO A -8 45.135 17.829 32.673 1.00 0.00 O ATOM 97 CB PRO A -8 43.054 18.789 30.301 1.00 0.00 C ATOM 98 CG PRO A -8 43.705 19.812 29.429 1.00 0.00 C ATOM 99 CD PRO A -8 44.881 20.328 30.198 1.00 0.00 C ATOM 0 HA PRO A -8 42.529 19.580 32.293 1.00 0.00 H new ATOM 0 HB2 PRO A -8 43.429 17.790 30.080 1.00 0.00 H new ATOM 0 HB3 PRO A -8 41.976 18.767 30.142 1.00 0.00 H new ATOM 0 HG2 PRO A -8 44.021 19.373 28.483 1.00 0.00 H new ATOM 0 HG3 PRO A -8 43.012 20.618 29.190 1.00 0.00 H new ATOM 0 HD2 PRO A -8 45.779 19.740 30.006 1.00 0.00 H new ATOM 0 HD3 PRO A -8 45.114 21.360 29.936 1.00 0.00 H new ATOM 107 N GLN A -7 43.019 17.180 33.015 1.00 0.00 N ATOM 108 CA GLN A -7 43.407 16.010 33.770 1.00 0.00 C ATOM 109 C GLN A -7 43.254 14.766 32.923 1.00 0.00 C ATOM 110 O GLN A -7 42.277 14.624 32.184 1.00 0.00 O ATOM 111 CB GLN A -7 42.584 15.900 35.045 1.00 0.00 C ATOM 112 CG GLN A -7 42.773 17.076 35.981 1.00 0.00 C ATOM 113 CD GLN A -7 41.880 17.007 37.198 1.00 0.00 C ATOM 114 OE1 GLN A -7 41.531 15.925 37.674 1.00 0.00 O ATOM 115 NE2 GLN A -7 41.503 18.158 37.712 1.00 0.00 N ATOM 0 H GLN A -7 42.012 17.300 32.905 1.00 0.00 H new ATOM 0 HA GLN A -7 44.455 16.108 34.051 1.00 0.00 H new ATOM 0 HB2 GLN A -7 41.529 15.819 34.783 1.00 0.00 H new ATOM 0 HB3 GLN A -7 42.855 14.982 35.566 1.00 0.00 H new ATOM 0 HG2 GLN A -7 43.814 17.115 36.302 1.00 0.00 H new ATOM 0 HG3 GLN A -7 42.571 18.001 35.440 1.00 0.00 H new ATOM 0 HE21 GLN A -7 41.814 19.032 37.288 1.00 0.00 H new ATOM 0 HE22 GLN A -7 40.900 18.176 38.534 1.00 0.00 H new ATOM 124 N PHE A -6 44.222 13.880 33.014 1.00 0.00 N ATOM 125 CA PHE A -6 44.210 12.664 32.234 1.00 0.00 C ATOM 126 C PHE A -6 44.291 11.450 33.122 1.00 0.00 C ATOM 127 O PHE A -6 44.995 11.451 34.132 1.00 0.00 O ATOM 128 CB PHE A -6 45.370 12.657 31.249 1.00 0.00 C ATOM 129 CG PHE A -6 45.326 13.791 30.282 1.00 0.00 C ATOM 130 CD1 PHE A -6 44.349 13.839 29.313 1.00 0.00 C ATOM 131 CD2 PHE A -6 46.253 14.814 30.350 1.00 0.00 C ATOM 132 CE1 PHE A -6 44.293 14.890 28.418 1.00 0.00 C ATOM 133 CE2 PHE A -6 46.206 15.869 29.460 1.00 0.00 C ATOM 134 CZ PHE A -6 45.225 15.907 28.491 1.00 0.00 C ATOM 0 H PHE A -6 45.032 13.981 33.625 1.00 0.00 H new ATOM 0 HA PHE A -6 43.270 12.628 31.684 1.00 0.00 H new ATOM 0 HB2 PHE A -6 46.308 12.696 31.802 1.00 0.00 H new ATOM 0 HB3 PHE A -6 45.364 11.717 30.697 1.00 0.00 H new ATOM 0 HD1 PHE A -6 43.618 13.046 29.252 1.00 0.00 H new ATOM 0 HD2 PHE A -6 47.022 14.788 31.107 1.00 0.00 H new ATOM 0 HE1 PHE A -6 43.522 14.916 27.662 1.00 0.00 H new ATOM 0 HE2 PHE A -6 46.936 16.663 29.523 1.00 0.00 H new ATOM 0 HZ PHE A -6 45.186 16.729 27.792 1.00 0.00 H new ATOM 144 N GLU A -5 43.577 10.418 32.741 1.00 0.00 N ATOM 145 CA GLU A -5 43.571 9.185 33.481 1.00 0.00 C ATOM 146 C GLU A -5 44.565 8.193 32.881 1.00 0.00 C ATOM 147 O GLU A -5 45.584 7.871 33.493 1.00 0.00 O ATOM 148 CB GLU A -5 42.167 8.591 33.497 1.00 0.00 C ATOM 149 CG GLU A -5 42.117 7.193 34.038 1.00 0.00 C ATOM 150 CD GLU A -5 40.722 6.610 34.028 1.00 0.00 C ATOM 151 OE1 GLU A -5 40.266 6.166 32.950 1.00 0.00 O ATOM 152 OE2 GLU A -5 40.079 6.579 35.095 1.00 0.00 O ATOM 0 H GLU A -5 42.986 10.412 31.910 1.00 0.00 H new ATOM 0 HA GLU A -5 43.875 9.393 34.507 1.00 0.00 H new ATOM 0 HB2 GLU A -5 41.518 9.228 34.097 1.00 0.00 H new ATOM 0 HB3 GLU A -5 41.768 8.595 32.483 1.00 0.00 H new ATOM 0 HG2 GLU A -5 42.776 6.556 33.448 1.00 0.00 H new ATOM 0 HG3 GLU A -5 42.500 7.189 35.058 1.00 0.00 H new ATOM 159 N LYS A -4 44.267 7.723 31.682 1.00 0.00 N ATOM 160 CA LYS A -4 45.115 6.755 30.998 1.00 0.00 C ATOM 161 C LYS A -4 46.026 7.455 30.008 1.00 0.00 C ATOM 162 O LYS A -4 47.057 6.929 29.612 1.00 0.00 O ATOM 163 CB LYS A -4 44.247 5.725 30.271 1.00 0.00 C ATOM 164 CG LYS A -4 43.268 5.001 31.183 1.00 0.00 C ATOM 165 CD LYS A -4 42.383 4.030 30.416 1.00 0.00 C ATOM 166 CE LYS A -4 41.461 4.757 29.446 1.00 0.00 C ATOM 167 NZ LYS A -4 40.508 3.832 28.786 1.00 0.00 N ATOM 0 H LYS A -4 43.437 7.997 31.156 1.00 0.00 H new ATOM 0 HA LYS A -4 45.732 6.246 31.739 1.00 0.00 H new ATOM 0 HB2 LYS A -4 43.690 6.226 29.479 1.00 0.00 H new ATOM 0 HB3 LYS A -4 44.894 4.991 29.791 1.00 0.00 H new ATOM 0 HG2 LYS A -4 43.821 4.459 31.950 1.00 0.00 H new ATOM 0 HG3 LYS A -4 42.643 5.732 31.697 1.00 0.00 H new ATOM 0 HD2 LYS A -4 43.007 3.325 29.867 1.00 0.00 H new ATOM 0 HD3 LYS A -4 41.787 3.448 31.119 1.00 0.00 H new ATOM 0 HE2 LYS A -4 40.906 5.528 29.982 1.00 0.00 H new ATOM 0 HE3 LYS A -4 42.059 5.263 28.688 1.00 0.00 H new ATOM 0 HZ1 LYS A -4 39.803 4.381 28.254 1.00 0.00 H new ATOM 0 HZ2 LYS A -4 41.025 3.208 28.134 1.00 0.00 H new ATOM 0 HZ3 LYS A -4 40.026 3.257 29.507 1.00 0.00 H new ATOM 181 N ILE A -3 45.635 8.647 29.625 1.00 0.00 N ATOM 182 CA ILE A -3 46.382 9.439 28.662 1.00 0.00 C ATOM 183 C ILE A -3 47.564 10.108 29.349 1.00 0.00 C ATOM 184 O ILE A -3 47.609 10.171 30.578 1.00 0.00 O ATOM 185 CB ILE A -3 45.469 10.519 28.052 1.00 0.00 C ATOM 186 CG1 ILE A -3 44.128 9.911 27.728 1.00 0.00 C ATOM 187 CG2 ILE A -3 46.085 11.131 26.801 1.00 0.00 C ATOM 188 CD1 ILE A -3 43.114 10.897 27.222 1.00 0.00 C ATOM 0 H ILE A -3 44.789 9.101 29.970 1.00 0.00 H new ATOM 0 HA ILE A -3 46.746 8.783 27.871 1.00 0.00 H new ATOM 0 HB ILE A -3 45.346 11.319 28.782 1.00 0.00 H new ATOM 0 HG12 ILE A -3 44.266 9.131 26.979 1.00 0.00 H new ATOM 0 HG13 ILE A -3 43.734 9.428 28.622 1.00 0.00 H new ATOM 0 HG21 ILE A -3 45.413 11.889 26.398 1.00 0.00 H new ATOM 0 HG22 ILE A -3 47.041 11.591 27.053 1.00 0.00 H new ATOM 0 HG23 ILE A -3 46.243 10.352 26.055 1.00 0.00 H new ATOM 0 HD11 ILE A -3 42.177 10.380 27.012 1.00 0.00 H new ATOM 0 HD12 ILE A -3 42.944 11.664 27.977 1.00 0.00 H new ATOM 0 HD13 ILE A -3 43.484 11.363 26.309 1.00 0.00 H new ATOM 200 N GLU A -2 48.527 10.583 28.545 1.00 0.00 N ATOM 201 CA GLU A -2 49.725 11.270 29.037 1.00 0.00 C ATOM 202 C GLU A -2 50.736 10.283 29.633 1.00 0.00 C ATOM 203 O GLU A -2 51.941 10.388 29.386 1.00 0.00 O ATOM 204 CB GLU A -2 49.361 12.374 30.045 1.00 0.00 C ATOM 205 CG GLU A -2 50.552 13.209 30.495 1.00 0.00 C ATOM 206 CD GLU A -2 50.194 14.249 31.533 1.00 0.00 C ATOM 207 OE1 GLU A -2 49.763 15.355 31.151 1.00 0.00 O ATOM 208 OE2 GLU A -2 50.359 13.973 32.743 1.00 0.00 O ATOM 0 H GLU A -2 48.494 10.499 27.529 1.00 0.00 H new ATOM 0 HA GLU A -2 50.202 11.747 28.181 1.00 0.00 H new ATOM 0 HB2 GLU A -2 48.616 13.032 29.597 1.00 0.00 H new ATOM 0 HB3 GLU A -2 48.898 11.917 30.919 1.00 0.00 H new ATOM 0 HG2 GLU A -2 51.318 12.548 30.902 1.00 0.00 H new ATOM 0 HG3 GLU A -2 50.987 13.706 29.628 1.00 0.00 H new ATOM 215 N GLY A -1 50.240 9.313 30.392 1.00 0.00 N ATOM 216 CA GLY A -1 51.102 8.314 30.992 1.00 0.00 C ATOM 217 C GLY A -1 51.393 7.153 30.057 1.00 0.00 C ATOM 218 O GLY A -1 51.852 6.096 30.491 1.00 0.00 O ATOM 0 H GLY A -1 49.248 9.201 30.603 1.00 0.00 H new ATOM 0 HA2 GLY A -1 52.041 8.781 31.288 1.00 0.00 H new ATOM 0 HA3 GLY A -1 50.634 7.935 31.901 1.00 0.00 H new ATOM 222 N ARG A 0 51.111 7.350 28.772 1.00 0.00 N ATOM 223 CA ARG A 0 51.385 6.344 27.748 1.00 0.00 C ATOM 224 C ARG A 0 51.304 6.956 26.355 1.00 0.00 C ATOM 225 O ARG A 0 52.163 6.718 25.516 1.00 0.00 O ATOM 226 CB ARG A 0 50.452 5.135 27.879 1.00 0.00 C ATOM 227 CG ARG A 0 48.977 5.451 27.766 1.00 0.00 C ATOM 228 CD ARG A 0 48.128 4.241 28.109 1.00 0.00 C ATOM 229 NE ARG A 0 48.379 3.773 29.474 1.00 0.00 N ATOM 230 CZ ARG A 0 47.501 3.107 30.218 1.00 0.00 C ATOM 231 NH1 ARG A 0 46.302 2.806 29.733 1.00 0.00 N ATOM 232 NH2 ARG A 0 47.826 2.742 31.450 1.00 0.00 N ATOM 0 H ARG A 0 50.689 8.206 28.412 1.00 0.00 H new ATOM 0 HA ARG A 0 52.402 5.983 27.901 1.00 0.00 H new ATOM 0 HB2 ARG A 0 50.713 4.409 27.109 1.00 0.00 H new ATOM 0 HB3 ARG A 0 50.633 4.658 28.842 1.00 0.00 H new ATOM 0 HG2 ARG A 0 48.727 6.275 28.434 1.00 0.00 H new ATOM 0 HG3 ARG A 0 48.750 5.782 26.753 1.00 0.00 H new ATOM 0 HD2 ARG A 0 47.073 4.493 27.999 1.00 0.00 H new ATOM 0 HD3 ARG A 0 48.339 3.437 27.404 1.00 0.00 H new ATOM 0 HE ARG A 0 49.292 3.972 29.883 1.00 0.00 H new ATOM 0 HH11 ARG A 0 46.050 3.086 28.785 1.00 0.00 H new ATOM 0 HH12 ARG A 0 45.633 2.295 30.308 1.00 0.00 H new ATOM 0 HH21 ARG A 0 48.747 2.972 31.824 1.00 0.00 H new ATOM 0 HH22 ARG A 0 47.155 2.231 32.024 1.00 0.00 H new ATOM 246 N MET A 1 50.272 7.751 26.118 1.00 0.00 N ATOM 247 CA MET A 1 50.130 8.442 24.850 1.00 0.00 C ATOM 248 C MET A 1 50.263 9.942 25.062 1.00 0.00 C ATOM 249 O MET A 1 49.520 10.534 25.849 1.00 0.00 O ATOM 250 CB MET A 1 48.789 8.107 24.158 1.00 0.00 C ATOM 251 CG MET A 1 47.549 8.420 24.984 1.00 0.00 C ATOM 252 SD MET A 1 46.866 6.979 25.823 1.00 0.00 S ATOM 253 CE MET A 1 46.342 5.980 24.426 1.00 0.00 C ATOM 0 H MET A 1 49.523 7.932 26.787 1.00 0.00 H new ATOM 0 HA MET A 1 50.927 8.099 24.190 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.732 8.659 23.220 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.782 7.047 23.905 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.798 9.179 25.726 1.00 0.00 H new ATOM 0 HG3 MET A 1 46.786 8.848 24.333 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.552 5.299 24.742 1.00 0.00 H new ATOM 0 HE2 MET A 1 45.967 6.629 23.635 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.189 5.405 24.052 1.00 0.00 H new ATOM 263 N ASP A 2 51.222 10.541 24.385 1.00 0.00 N ATOM 264 CA ASP A 2 51.469 11.971 24.489 1.00 0.00 C ATOM 265 C ASP A 2 51.899 12.527 23.141 1.00 0.00 C ATOM 266 O ASP A 2 52.198 11.763 22.218 1.00 0.00 O ATOM 267 CB ASP A 2 52.528 12.267 25.567 1.00 0.00 C ATOM 268 CG ASP A 2 53.879 11.642 25.275 1.00 0.00 C ATOM 269 OD1 ASP A 2 54.050 10.436 25.542 1.00 0.00 O ATOM 270 OD2 ASP A 2 54.783 12.359 24.803 1.00 0.00 O ATOM 0 H ASP A 2 51.853 10.054 23.748 1.00 0.00 H new ATOM 0 HA ASP A 2 50.543 12.462 24.787 1.00 0.00 H new ATOM 0 HB2 ASP A 2 52.648 13.346 25.660 1.00 0.00 H new ATOM 0 HB3 ASP A 2 52.168 11.902 26.529 1.00 0.00 H new ATOM 275 N VAL A 3 51.925 13.852 23.021 1.00 0.00 N ATOM 276 CA VAL A 3 52.284 14.504 21.762 1.00 0.00 C ATOM 277 C VAL A 3 53.697 14.123 21.329 1.00 0.00 C ATOM 278 O VAL A 3 54.665 14.303 22.074 1.00 0.00 O ATOM 279 CB VAL A 3 52.161 16.044 21.859 1.00 0.00 C ATOM 280 CG1 VAL A 3 52.537 16.703 20.538 1.00 0.00 C ATOM 281 CG2 VAL A 3 50.747 16.440 22.264 1.00 0.00 C ATOM 0 H VAL A 3 51.702 14.496 23.780 1.00 0.00 H new ATOM 0 HA VAL A 3 51.578 14.152 21.010 1.00 0.00 H new ATOM 0 HB VAL A 3 52.855 16.392 22.624 1.00 0.00 H new ATOM 0 HG11 VAL A 3 52.443 17.785 20.631 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.566 16.449 20.285 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.871 16.347 19.752 1.00 0.00 H new ATOM 0 HG21 VAL A 3 50.677 17.526 22.328 1.00 0.00 H new ATOM 0 HG22 VAL A 3 50.039 16.074 21.520 1.00 0.00 H new ATOM 0 HG23 VAL A 3 50.511 16.004 23.235 1.00 0.00 H new ATOM 291 N GLY A 4 53.803 13.593 20.124 1.00 0.00 N ATOM 292 CA GLY A 4 55.078 13.148 19.612 1.00 0.00 C ATOM 293 C GLY A 4 55.125 11.644 19.485 1.00 0.00 C ATOM 294 O GLY A 4 55.922 11.098 18.720 1.00 0.00 O ATOM 0 H GLY A 4 53.019 13.462 19.485 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.260 13.603 18.638 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.875 13.484 20.275 1.00 0.00 H new ATOM 298 N GLN A 5 54.267 10.974 20.238 1.00 0.00 N ATOM 299 CA GLN A 5 54.170 9.525 20.187 1.00 0.00 C ATOM 300 C GLN A 5 53.398 9.088 18.964 1.00 0.00 C ATOM 301 O GLN A 5 52.597 9.853 18.418 1.00 0.00 O ATOM 302 CB GLN A 5 53.492 8.981 21.445 1.00 0.00 C ATOM 303 CG GLN A 5 54.461 8.533 22.515 1.00 0.00 C ATOM 304 CD GLN A 5 55.322 7.375 22.054 1.00 0.00 C ATOM 305 OE1 GLN A 5 54.905 6.570 21.223 1.00 0.00 O ATOM 306 NE2 GLN A 5 56.518 7.278 22.588 1.00 0.00 N ATOM 0 H GLN A 5 53.624 11.415 20.896 1.00 0.00 H new ATOM 0 HA GLN A 5 55.182 9.124 20.132 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.841 9.751 21.857 1.00 0.00 H new ATOM 0 HB3 GLN A 5 52.856 8.140 21.169 1.00 0.00 H new ATOM 0 HG2 GLN A 5 55.100 9.369 22.798 1.00 0.00 H new ATOM 0 HG3 GLN A 5 53.906 8.240 23.406 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.827 7.966 23.274 1.00 0.00 H new ATOM 0 HE22 GLN A 5 57.137 6.515 22.316 1.00 0.00 H new ATOM 315 N LYS A 6 53.632 7.871 18.530 1.00 0.00 N ATOM 316 CA LYS A 6 52.945 7.352 17.384 1.00 0.00 C ATOM 317 C LYS A 6 51.836 6.429 17.827 1.00 0.00 C ATOM 318 O LYS A 6 52.017 5.616 18.731 1.00 0.00 O ATOM 319 CB LYS A 6 53.914 6.639 16.443 1.00 0.00 C ATOM 320 CG LYS A 6 55.034 7.540 15.942 1.00 0.00 C ATOM 321 CD LYS A 6 55.891 6.857 14.892 1.00 0.00 C ATOM 322 CE LYS A 6 55.108 6.592 13.615 1.00 0.00 C ATOM 323 NZ LYS A 6 55.971 6.047 12.542 1.00 0.00 N ATOM 0 H LYS A 6 54.295 7.226 18.958 1.00 0.00 H new ATOM 0 HA LYS A 6 52.506 8.182 16.831 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.348 5.783 16.959 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.360 6.249 15.589 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.606 8.451 15.523 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.661 7.839 16.782 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.756 7.480 14.666 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.271 5.915 15.288 1.00 0.00 H new ATOM 0 HE2 LYS A 6 54.300 5.890 13.823 1.00 0.00 H new ATOM 0 HE3 LYS A 6 54.645 7.518 13.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 55.400 5.880 11.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 56.727 6.728 12.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 56.393 5.150 12.857 1.00 0.00 H new ATOM 337 N VAL A 7 50.689 6.565 17.212 1.00 0.00 N ATOM 338 CA VAL A 7 49.550 5.760 17.568 1.00 0.00 C ATOM 339 C VAL A 7 48.913 5.146 16.350 1.00 0.00 C ATOM 340 O VAL A 7 48.836 5.759 15.291 1.00 0.00 O ATOM 341 CB VAL A 7 48.483 6.556 18.358 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.955 6.829 19.775 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.142 7.857 17.647 1.00 0.00 C ATOM 0 H VAL A 7 50.519 7.230 16.458 1.00 0.00 H new ATOM 0 HA VAL A 7 49.931 4.970 18.216 1.00 0.00 H new ATOM 0 HB VAL A 7 47.579 5.949 18.410 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.190 7.389 20.312 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.138 5.884 20.286 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.877 7.410 19.746 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.390 8.399 18.221 1.00 0.00 H new ATOM 0 HG22 VAL A 7 49.040 8.468 17.556 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.751 7.637 16.654 1.00 0.00 H new ATOM 353 N ARG A 8 48.473 3.937 16.508 1.00 0.00 N ATOM 354 CA ARG A 8 47.813 3.218 15.456 1.00 0.00 C ATOM 355 C ARG A 8 46.367 3.013 15.841 1.00 0.00 C ATOM 356 O ARG A 8 46.065 2.774 17.012 1.00 0.00 O ATOM 357 CB ARG A 8 48.503 1.868 15.250 1.00 0.00 C ATOM 358 CG ARG A 8 47.858 0.977 14.206 1.00 0.00 C ATOM 359 CD ARG A 8 48.505 -0.393 14.197 1.00 0.00 C ATOM 360 NE ARG A 8 47.892 -1.293 13.226 1.00 0.00 N ATOM 361 CZ ARG A 8 47.207 -2.393 13.550 1.00 0.00 C ATOM 362 NH1 ARG A 8 46.932 -2.662 14.825 1.00 0.00 N ATOM 363 NH2 ARG A 8 46.771 -3.207 12.598 1.00 0.00 N ATOM 0 H ARG A 8 48.561 3.413 17.379 1.00 0.00 H new ATOM 0 HA ARG A 8 47.864 3.782 14.525 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.540 2.046 14.965 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.520 1.336 16.201 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.792 0.880 14.412 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.952 1.435 13.222 1.00 0.00 H new ATOM 0 HD2 ARG A 8 49.566 -0.289 13.972 1.00 0.00 H new ATOM 0 HD3 ARG A 8 48.432 -0.832 15.192 1.00 0.00 H new ATOM 0 HE ARG A 8 47.993 -1.068 12.236 1.00 0.00 H new ATOM 0 HH11 ARG A 8 47.245 -2.027 15.559 1.00 0.00 H new ATOM 0 HH12 ARG A 8 46.409 -3.503 15.067 1.00 0.00 H new ATOM 0 HH21 ARG A 8 46.959 -2.993 11.619 1.00 0.00 H new ATOM 0 HH22 ARG A 8 46.248 -4.047 12.845 1.00 0.00 H new ATOM 377 N VAL A 9 45.467 3.132 14.888 1.00 0.00 N ATOM 378 CA VAL A 9 44.070 2.905 15.175 1.00 0.00 C ATOM 379 C VAL A 9 43.843 1.408 15.334 1.00 0.00 C ATOM 380 O VAL A 9 43.757 0.669 14.346 1.00 0.00 O ATOM 381 CB VAL A 9 43.157 3.467 14.066 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.703 3.460 14.514 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.593 4.871 13.679 1.00 0.00 C ATOM 0 H VAL A 9 45.675 3.381 13.921 1.00 0.00 H new ATOM 0 HA VAL A 9 43.814 3.428 16.096 1.00 0.00 H new ATOM 0 HB VAL A 9 43.246 2.826 13.189 1.00 0.00 H new ATOM 0 HG11 VAL A 9 41.075 3.860 13.718 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.397 2.438 14.739 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.594 4.076 15.406 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.938 5.252 12.895 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.534 5.523 14.550 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.620 4.845 13.313 1.00 0.00 H new ATOM 393 N CYS A 10 43.773 0.968 16.573 1.00 0.00 N ATOM 394 CA CYS A 10 43.652 -0.443 16.875 1.00 0.00 C ATOM 395 C CYS A 10 42.233 -0.936 16.698 1.00 0.00 C ATOM 396 O CYS A 10 42.006 -2.040 16.194 1.00 0.00 O ATOM 397 CB CYS A 10 44.145 -0.731 18.299 1.00 0.00 C ATOM 398 SG CYS A 10 43.301 0.202 19.606 1.00 0.00 S ATOM 0 H CYS A 10 43.798 1.573 17.394 1.00 0.00 H new ATOM 0 HA CYS A 10 44.279 -0.985 16.167 1.00 0.00 H new ATOM 0 HB2 CYS A 10 44.027 -1.796 18.500 1.00 0.00 H new ATOM 0 HB3 CYS A 10 45.212 -0.513 18.349 1.00 0.00 H new ATOM 0 HG CYS A 10 42.640 1.188 19.077 1.00 0.00 H new ATOM 404 N ARG A 11 41.285 -0.117 17.080 1.00 0.00 N ATOM 405 CA ARG A 11 39.894 -0.490 17.031 1.00 0.00 C ATOM 406 C ARG A 11 39.031 0.740 16.951 1.00 0.00 C ATOM 407 O ARG A 11 39.525 1.844 17.072 1.00 0.00 O ATOM 408 CB ARG A 11 39.528 -1.293 18.280 1.00 0.00 C ATOM 409 CG ARG A 11 39.849 -0.571 19.583 1.00 0.00 C ATOM 410 CD ARG A 11 39.512 -1.426 20.790 1.00 0.00 C ATOM 411 NE ARG A 11 40.286 -2.663 20.797 1.00 0.00 N ATOM 412 CZ ARG A 11 40.339 -3.518 21.813 1.00 0.00 C ATOM 413 NH1 ARG A 11 39.669 -3.275 22.933 1.00 0.00 N ATOM 414 NH2 ARG A 11 41.066 -4.618 21.702 1.00 0.00 N ATOM 0 H ARG A 11 41.455 0.825 17.433 1.00 0.00 H new ATOM 0 HA ARG A 11 39.725 -1.102 16.145 1.00 0.00 H new ATOM 0 HB2 ARG A 11 38.463 -1.524 18.255 1.00 0.00 H new ATOM 0 HB3 ARG A 11 40.061 -2.244 18.260 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.907 -0.310 19.605 1.00 0.00 H new ATOM 0 HG3 ARG A 11 39.289 0.363 19.630 1.00 0.00 H new ATOM 0 HD2 ARG A 11 39.711 -0.865 21.703 1.00 0.00 H new ATOM 0 HD3 ARG A 11 38.448 -1.661 20.786 1.00 0.00 H new ATOM 0 HE ARG A 11 40.826 -2.888 19.961 1.00 0.00 H new ATOM 0 HH11 ARG A 11 39.108 -2.427 23.018 1.00 0.00 H new ATOM 0 HH12 ARG A 11 39.715 -3.936 23.708 1.00 0.00 H new ATOM 0 HH21 ARG A 11 41.580 -4.805 20.841 1.00 0.00 H new ATOM 0 HH22 ARG A 11 41.112 -5.279 22.477 1.00 0.00 H new ATOM 428 N ILE A 12 37.758 0.537 16.722 1.00 0.00 N ATOM 429 CA ILE A 12 36.797 1.616 16.719 1.00 0.00 C ATOM 430 C ILE A 12 35.776 1.353 17.815 1.00 0.00 C ATOM 431 O ILE A 12 35.250 0.243 17.928 1.00 0.00 O ATOM 432 CB ILE A 12 36.115 1.767 15.339 1.00 0.00 C ATOM 433 CG1 ILE A 12 37.180 2.087 14.283 1.00 0.00 C ATOM 434 CG2 ILE A 12 35.049 2.856 15.380 1.00 0.00 C ATOM 435 CD1 ILE A 12 36.647 2.240 12.880 1.00 0.00 C ATOM 0 H ILE A 12 37.356 -0.381 16.532 1.00 0.00 H new ATOM 0 HA ILE A 12 37.310 2.558 16.913 1.00 0.00 H new ATOM 0 HB ILE A 12 35.621 0.831 15.078 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.689 3.008 14.567 1.00 0.00 H new ATOM 0 HG13 ILE A 12 37.928 1.295 14.289 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.582 2.945 14.399 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.292 2.596 16.120 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.510 3.806 15.650 1.00 0.00 H new ATOM 0 HD11 ILE A 12 37.469 2.465 12.201 1.00 0.00 H new ATOM 0 HD12 ILE A 12 36.165 1.313 12.571 1.00 0.00 H new ATOM 0 HD13 ILE A 12 35.921 3.053 12.853 1.00 0.00 H new ATOM 447 N ARG A 13 35.519 2.351 18.633 1.00 0.00 N ATOM 448 CA ARG A 13 34.684 2.171 19.808 1.00 0.00 C ATOM 449 C ARG A 13 33.175 2.153 19.548 1.00 0.00 C ATOM 450 O ARG A 13 32.564 1.085 19.571 1.00 0.00 O ATOM 451 CB ARG A 13 35.051 3.163 20.915 1.00 0.00 C ATOM 452 CG ARG A 13 36.240 2.716 21.765 1.00 0.00 C ATOM 453 CD ARG A 13 35.935 1.401 22.481 1.00 0.00 C ATOM 454 NE ARG A 13 37.038 0.939 23.329 1.00 0.00 N ATOM 455 CZ ARG A 13 37.071 -0.266 23.911 1.00 0.00 C ATOM 456 NH1 ARG A 13 36.092 -1.138 23.696 1.00 0.00 N ATOM 457 NH2 ARG A 13 38.079 -0.598 24.701 1.00 0.00 N ATOM 0 H ARG A 13 35.876 3.298 18.508 1.00 0.00 H new ATOM 0 HA ARG A 13 34.911 1.161 20.148 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.279 4.129 20.465 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.186 3.309 21.562 1.00 0.00 H new ATOM 0 HG2 ARG A 13 37.119 2.595 21.132 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.478 3.487 22.498 1.00 0.00 H new ATOM 0 HD2 ARG A 13 35.042 1.526 23.093 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.709 0.635 21.740 1.00 0.00 H new ATOM 0 HE ARG A 13 37.824 1.571 23.484 1.00 0.00 H new ATOM 0 HH11 ARG A 13 35.313 -0.890 23.086 1.00 0.00 H new ATOM 0 HH12 ARG A 13 36.120 -2.056 24.141 1.00 0.00 H new ATOM 0 HH21 ARG A 13 38.835 0.065 24.869 1.00 0.00 H new ATOM 0 HH22 ARG A 13 38.100 -1.517 25.142 1.00 0.00 H new ATOM 471 N ASP A 14 32.564 3.302 19.314 1.00 0.00 N ATOM 472 CA ASP A 14 31.099 3.339 19.232 1.00 0.00 C ATOM 473 C ASP A 14 30.547 3.230 17.813 1.00 0.00 C ATOM 474 O ASP A 14 29.620 2.452 17.576 1.00 0.00 O ATOM 475 CB ASP A 14 30.508 4.556 19.974 1.00 0.00 C ATOM 476 CG ASP A 14 30.839 5.887 19.340 1.00 0.00 C ATOM 477 OD1 ASP A 14 31.959 6.385 19.550 1.00 0.00 O ATOM 478 OD2 ASP A 14 29.963 6.460 18.650 1.00 0.00 O ATOM 0 H ASP A 14 33.033 4.198 19.180 1.00 0.00 H new ATOM 0 HA ASP A 14 30.768 2.436 19.745 1.00 0.00 H new ATOM 0 HB2 ASP A 14 29.424 4.448 20.021 1.00 0.00 H new ATOM 0 HB3 ASP A 14 30.873 4.554 21.001 1.00 0.00 H new ATOM 483 N ARG A 15 31.093 3.974 16.870 1.00 0.00 N ATOM 484 CA ARG A 15 30.556 3.938 15.511 1.00 0.00 C ATOM 485 C ARG A 15 31.649 4.024 14.463 1.00 0.00 C ATOM 486 O ARG A 15 32.540 4.869 14.542 1.00 0.00 O ATOM 487 CB ARG A 15 29.527 5.053 15.303 1.00 0.00 C ATOM 488 CG ARG A 15 30.074 6.457 15.497 1.00 0.00 C ATOM 489 CD ARG A 15 29.018 7.510 15.208 1.00 0.00 C ATOM 490 NE ARG A 15 27.831 7.343 16.045 1.00 0.00 N ATOM 491 CZ ARG A 15 26.993 8.329 16.367 1.00 0.00 C ATOM 492 NH1 ARG A 15 27.202 9.561 15.912 1.00 0.00 N ATOM 493 NH2 ARG A 15 25.944 8.078 17.139 1.00 0.00 N ATOM 0 H ARG A 15 31.888 4.598 17.007 1.00 0.00 H new ATOM 0 HA ARG A 15 30.061 2.975 15.388 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.120 4.971 14.295 1.00 0.00 H new ATOM 0 HB3 ARG A 15 28.699 4.900 15.995 1.00 0.00 H new ATOM 0 HG2 ARG A 15 30.433 6.571 16.520 1.00 0.00 H new ATOM 0 HG3 ARG A 15 30.930 6.609 14.840 1.00 0.00 H new ATOM 0 HD2 ARG A 15 29.441 8.501 15.373 1.00 0.00 H new ATOM 0 HD3 ARG A 15 28.731 7.456 14.158 1.00 0.00 H new ATOM 0 HE ARG A 15 27.631 6.411 16.407 1.00 0.00 H new ATOM 0 HH11 ARG A 15 28.006 9.754 15.314 1.00 0.00 H new ATOM 0 HH12 ARG A 15 26.559 10.312 16.161 1.00 0.00 H new ATOM 0 HH21 ARG A 15 25.780 7.133 17.485 1.00 0.00 H new ATOM 0 HH22 ARG A 15 25.301 8.830 17.387 1.00 0.00 H new ATOM 507 N VAL A 16 31.568 3.156 13.472 1.00 0.00 N ATOM 508 CA VAL A 16 32.543 3.135 12.408 1.00 0.00 C ATOM 509 C VAL A 16 31.949 3.654 11.098 1.00 0.00 C ATOM 510 O VAL A 16 31.047 3.045 10.512 1.00 0.00 O ATOM 511 CB VAL A 16 33.125 1.702 12.196 1.00 0.00 C ATOM 512 CG1 VAL A 16 32.018 0.659 12.166 1.00 0.00 C ATOM 513 CG2 VAL A 16 33.950 1.632 10.915 1.00 0.00 C ATOM 0 H VAL A 16 30.832 2.455 13.385 1.00 0.00 H new ATOM 0 HA VAL A 16 33.355 3.798 12.708 1.00 0.00 H new ATOM 0 HB VAL A 16 33.778 1.484 13.041 1.00 0.00 H new ATOM 0 HG11 VAL A 16 32.453 -0.329 12.017 1.00 0.00 H new ATOM 0 HG12 VAL A 16 31.475 0.678 13.111 1.00 0.00 H new ATOM 0 HG13 VAL A 16 31.332 0.880 11.349 1.00 0.00 H new ATOM 0 HG21 VAL A 16 34.344 0.623 10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 16 33.320 1.883 10.062 1.00 0.00 H new ATOM 0 HG23 VAL A 16 34.777 2.340 10.976 1.00 0.00 H new ATOM 523 N ALA A 17 32.449 4.790 10.658 1.00 0.00 N ATOM 524 CA ALA A 17 32.065 5.346 9.382 1.00 0.00 C ATOM 525 C ALA A 17 32.955 4.780 8.296 1.00 0.00 C ATOM 526 O ALA A 17 34.054 4.292 8.579 1.00 0.00 O ATOM 527 CB ALA A 17 32.156 6.863 9.405 1.00 0.00 C ATOM 0 H ALA A 17 33.129 5.349 11.173 1.00 0.00 H new ATOM 0 HA ALA A 17 31.029 5.075 9.176 1.00 0.00 H new ATOM 0 HB1 ALA A 17 31.862 7.260 8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 17 31.491 7.256 10.174 1.00 0.00 H new ATOM 0 HB3 ALA A 17 33.181 7.163 9.624 1.00 0.00 H new ATOM 533 N GLN A 18 32.505 4.857 7.059 1.00 0.00 N ATOM 534 CA GLN A 18 33.294 4.363 5.938 1.00 0.00 C ATOM 535 C GLN A 18 34.508 5.254 5.688 1.00 0.00 C ATOM 536 O GLN A 18 35.431 4.874 4.982 1.00 0.00 O ATOM 537 CB GLN A 18 32.442 4.245 4.678 1.00 0.00 C ATOM 538 CG GLN A 18 31.391 3.148 4.754 1.00 0.00 C ATOM 539 CD GLN A 18 31.988 1.754 4.924 1.00 0.00 C ATOM 540 OE1 GLN A 18 33.163 1.532 4.364 1.00 0.00 O flip ATOM 541 NE2 GLN A 18 31.380 0.877 5.545 1.00 0.00 N flip ATOM 0 H GLN A 18 31.602 5.254 6.801 1.00 0.00 H new ATOM 0 HA GLN A 18 33.653 3.367 6.198 1.00 0.00 H new ATOM 0 HB2 GLN A 18 31.947 5.199 4.494 1.00 0.00 H new ATOM 0 HB3 GLN A 18 33.094 4.054 3.825 1.00 0.00 H new ATOM 0 HG2 GLN A 18 30.721 3.353 5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 18 30.787 3.169 3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 18 30.474 1.084 5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 18 31.784 -0.055 5.638 1.00 0.00 H new ATOM 550 N ASP A 19 34.493 6.436 6.275 1.00 0.00 N ATOM 551 CA ASP A 19 35.604 7.369 6.145 1.00 0.00 C ATOM 552 C ASP A 19 36.729 6.997 7.107 1.00 0.00 C ATOM 553 O ASP A 19 37.889 6.899 6.715 1.00 0.00 O ATOM 554 CB ASP A 19 35.134 8.794 6.428 1.00 0.00 C ATOM 555 CG ASP A 19 36.223 9.830 6.214 1.00 0.00 C ATOM 556 OD1 ASP A 19 36.397 10.288 5.061 1.00 0.00 O ATOM 557 OD2 ASP A 19 36.888 10.218 7.197 1.00 0.00 O ATOM 0 H ASP A 19 33.722 6.777 6.849 1.00 0.00 H new ATOM 0 HA ASP A 19 35.980 7.314 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 19 34.287 9.026 5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 19 34.778 8.856 7.456 1.00 0.00 H new ATOM 562 N ILE A 20 36.373 6.756 8.366 1.00 0.00 N ATOM 563 CA ILE A 20 37.367 6.446 9.388 1.00 0.00 C ATOM 564 C ILE A 20 37.807 4.986 9.334 1.00 0.00 C ATOM 565 O ILE A 20 38.857 4.631 9.867 1.00 0.00 O ATOM 566 CB ILE A 20 36.873 6.785 10.815 1.00 0.00 C ATOM 567 CG1 ILE A 20 35.641 5.951 11.184 1.00 0.00 C ATOM 568 CG2 ILE A 20 36.571 8.274 10.932 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.183 6.145 12.613 1.00 0.00 C ATOM 0 H ILE A 20 35.410 6.769 8.701 1.00 0.00 H new ATOM 0 HA ILE A 20 38.225 7.079 9.164 1.00 0.00 H new ATOM 0 HB ILE A 20 37.667 6.536 11.518 1.00 0.00 H new ATOM 0 HG12 ILE A 20 34.823 6.209 10.511 1.00 0.00 H new ATOM 0 HG13 ILE A 20 35.865 4.896 11.023 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.225 8.497 11.941 1.00 0.00 H new ATOM 0 HG22 ILE A 20 37.475 8.846 10.724 1.00 0.00 H new ATOM 0 HG23 ILE A 20 35.797 8.546 10.214 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.308 5.524 12.802 1.00 0.00 H new ATOM 0 HD12 ILE A 20 35.985 5.859 13.294 1.00 0.00 H new ATOM 0 HD13 ILE A 20 34.926 7.192 12.774 1.00 0.00 H new ATOM 581 N ILE A 21 37.011 4.134 8.687 1.00 0.00 N ATOM 582 CA ILE A 21 37.371 2.723 8.551 1.00 0.00 C ATOM 583 C ILE A 21 38.607 2.595 7.651 1.00 0.00 C ATOM 584 O ILE A 21 39.333 1.599 7.694 1.00 0.00 O ATOM 585 CB ILE A 21 36.199 1.875 7.976 1.00 0.00 C ATOM 586 CG1 ILE A 21 36.459 0.381 8.187 1.00 0.00 C ATOM 587 CG2 ILE A 21 35.990 2.167 6.496 1.00 0.00 C ATOM 588 CD1 ILE A 21 35.318 -0.507 7.734 1.00 0.00 C ATOM 0 H ILE A 21 36.124 4.392 8.254 1.00 0.00 H new ATOM 0 HA ILE A 21 37.594 2.335 9.545 1.00 0.00 H new ATOM 0 HB ILE A 21 35.292 2.151 8.513 1.00 0.00 H new ATOM 0 HG12 ILE A 21 37.363 0.099 7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 21 36.650 0.201 9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 21 35.166 1.562 6.119 1.00 0.00 H new ATOM 0 HG22 ILE A 21 35.755 3.223 6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 21 36.899 1.925 5.946 1.00 0.00 H new ATOM 0 HD11 ILE A 21 35.575 -1.551 7.915 1.00 0.00 H new ATOM 0 HD12 ILE A 21 34.416 -0.253 8.291 1.00 0.00 H new ATOM 0 HD13 ILE A 21 35.141 -0.357 6.669 1.00 0.00 H new ATOM 600 N GLN A 22 38.846 3.646 6.868 1.00 0.00 N ATOM 601 CA GLN A 22 39.989 3.724 5.975 1.00 0.00 C ATOM 602 C GLN A 22 41.246 4.069 6.759 1.00 0.00 C ATOM 603 O GLN A 22 42.338 4.121 6.210 1.00 0.00 O ATOM 604 CB GLN A 22 39.747 4.799 4.913 1.00 0.00 C ATOM 605 CG GLN A 22 38.516 4.560 4.060 1.00 0.00 C ATOM 606 CD GLN A 22 38.227 5.715 3.120 1.00 0.00 C ATOM 607 OE1 GLN A 22 39.139 6.404 2.654 1.00 0.00 O ATOM 608 NE2 GLN A 22 36.959 5.942 2.846 1.00 0.00 N ATOM 0 H GLN A 22 38.245 4.470 6.839 1.00 0.00 H new ATOM 0 HA GLN A 22 40.120 2.755 5.492 1.00 0.00 H new ATOM 0 HB2 GLN A 22 39.652 5.767 5.406 1.00 0.00 H new ATOM 0 HB3 GLN A 22 40.621 4.856 4.264 1.00 0.00 H new ATOM 0 HG2 GLN A 22 38.652 3.648 3.479 1.00 0.00 H new ATOM 0 HG3 GLN A 22 37.655 4.399 4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 22 36.235 5.349 3.252 1.00 0.00 H new ATOM 0 HE22 GLN A 22 36.701 6.711 2.228 1.00 0.00 H new ATOM 617 N LYS A 23 41.076 4.330 8.044 1.00 0.00 N ATOM 618 CA LYS A 23 42.185 4.682 8.911 1.00 0.00 C ATOM 619 C LYS A 23 42.418 3.582 9.944 1.00 0.00 C ATOM 620 O LYS A 23 43.394 3.611 10.687 1.00 0.00 O ATOM 621 CB LYS A 23 41.889 6.005 9.619 1.00 0.00 C ATOM 622 CG LYS A 23 41.445 7.128 8.685 1.00 0.00 C ATOM 623 CD LYS A 23 42.546 8.133 8.422 1.00 0.00 C ATOM 624 CE LYS A 23 43.612 7.565 7.509 1.00 0.00 C ATOM 625 NZ LYS A 23 43.080 7.226 6.159 1.00 0.00 N ATOM 0 H LYS A 23 40.170 4.304 8.513 1.00 0.00 H new ATOM 0 HA LYS A 23 43.085 4.791 8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.112 5.839 10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.782 6.325 10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.115 6.700 7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 23 40.587 7.640 9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.121 9.030 7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 23 42.998 8.434 9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.422 8.287 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 23 44.038 6.671 7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 43.803 7.431 5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 42.835 6.216 6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 42.230 7.794 5.968 1.00 0.00 H new ATOM 639 N LEU A 24 41.514 2.613 9.981 1.00 0.00 N ATOM 640 CA LEU A 24 41.613 1.511 10.926 1.00 0.00 C ATOM 641 C LEU A 24 42.806 0.628 10.561 1.00 0.00 C ATOM 642 O LEU A 24 42.929 0.180 9.420 1.00 0.00 O ATOM 643 CB LEU A 24 40.293 0.699 10.938 1.00 0.00 C ATOM 644 CG LEU A 24 40.068 -0.275 12.122 1.00 0.00 C ATOM 645 CD1 LEU A 24 40.930 -1.524 11.994 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.335 0.420 13.453 1.00 0.00 C ATOM 0 H LEU A 24 40.702 2.568 9.365 1.00 0.00 H new ATOM 0 HA LEU A 24 41.772 1.904 11.930 1.00 0.00 H new ATOM 0 HB2 LEU A 24 39.463 1.405 10.920 1.00 0.00 H new ATOM 0 HB3 LEU A 24 40.243 0.124 10.014 1.00 0.00 H new ATOM 0 HG LEU A 24 39.024 -0.586 12.093 1.00 0.00 H new ATOM 0 HD11 LEU A 24 40.744 -2.183 12.842 1.00 0.00 H new ATOM 0 HD12 LEU A 24 40.681 -2.045 11.069 1.00 0.00 H new ATOM 0 HD13 LEU A 24 41.982 -1.240 11.979 1.00 0.00 H new ATOM 0 HD21 LEU A 24 40.171 -0.283 14.270 1.00 0.00 H new ATOM 0 HD22 LEU A 24 41.366 0.772 13.479 1.00 0.00 H new ATOM 0 HD23 LEU A 24 39.659 1.268 13.563 1.00 0.00 H new ATOM 658 N GLY A 25 43.690 0.414 11.525 1.00 0.00 N ATOM 659 CA GLY A 25 44.876 -0.388 11.288 1.00 0.00 C ATOM 660 C GLY A 25 46.035 0.452 10.797 1.00 0.00 C ATOM 661 O GLY A 25 47.173 -0.012 10.740 1.00 0.00 O ATOM 0 H GLY A 25 43.607 0.783 12.472 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.161 -0.897 12.209 1.00 0.00 H new ATOM 0 HA3 GLY A 25 44.651 -1.161 10.553 1.00 0.00 H new ATOM 665 N GLN A 26 45.742 1.695 10.466 1.00 0.00 N ATOM 666 CA GLN A 26 46.733 2.614 9.952 1.00 0.00 C ATOM 667 C GLN A 26 47.461 3.306 11.106 1.00 0.00 C ATOM 668 O GLN A 26 46.855 3.625 12.139 1.00 0.00 O ATOM 669 CB GLN A 26 46.046 3.629 9.034 1.00 0.00 C ATOM 670 CG GLN A 26 46.976 4.580 8.303 1.00 0.00 C ATOM 671 CD GLN A 26 46.242 5.383 7.248 1.00 0.00 C ATOM 672 OE1 GLN A 26 45.279 4.908 6.652 1.00 0.00 O ATOM 673 NE2 GLN A 26 46.668 6.608 7.026 1.00 0.00 N ATOM 0 H GLN A 26 44.807 2.095 10.547 1.00 0.00 H new ATOM 0 HA GLN A 26 47.479 2.070 9.373 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.457 3.085 8.296 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.347 4.217 9.629 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.439 5.258 9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.781 4.013 7.834 1.00 0.00 H new ATOM 0 HE21 GLN A 26 47.471 6.970 7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.195 7.196 6.340 1.00 0.00 H new ATOM 682 N VAL A 27 48.756 3.513 10.935 1.00 0.00 N ATOM 683 CA VAL A 27 49.588 4.124 11.961 1.00 0.00 C ATOM 684 C VAL A 27 49.730 5.626 11.724 1.00 0.00 C ATOM 685 O VAL A 27 49.902 6.065 10.590 1.00 0.00 O ATOM 686 CB VAL A 27 51.000 3.483 11.990 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.833 4.039 13.137 1.00 0.00 C ATOM 688 CG2 VAL A 27 50.903 1.966 12.082 1.00 0.00 C ATOM 0 H VAL A 27 49.260 3.264 10.084 1.00 0.00 H new ATOM 0 HA VAL A 27 49.097 3.953 12.919 1.00 0.00 H new ATOM 0 HB VAL A 27 51.501 3.739 11.057 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.817 3.571 13.132 1.00 0.00 H new ATOM 0 HG12 VAL A 27 51.943 5.117 13.018 1.00 0.00 H new ATOM 0 HG13 VAL A 27 51.336 3.828 14.084 1.00 0.00 H new ATOM 0 HG21 VAL A 27 51.905 1.538 12.101 1.00 0.00 H new ATOM 0 HG22 VAL A 27 50.373 1.690 12.994 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.361 1.583 11.217 1.00 0.00 H new ATOM 698 N GLY A 28 49.649 6.399 12.791 1.00 0.00 N ATOM 699 CA GLY A 28 49.807 7.834 12.700 1.00 0.00 C ATOM 700 C GLY A 28 50.598 8.373 13.871 1.00 0.00 C ATOM 701 O GLY A 28 51.162 7.601 14.644 1.00 0.00 O ATOM 0 H GLY A 28 49.474 6.053 13.734 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.313 8.088 11.768 1.00 0.00 H new ATOM 0 HA3 GLY A 28 48.826 8.309 12.671 1.00 0.00 H new ATOM 705 N GLN A 29 50.643 9.682 14.016 1.00 0.00 N ATOM 706 CA GLN A 29 51.381 10.290 15.109 1.00 0.00 C ATOM 707 C GLN A 29 50.532 11.334 15.831 1.00 0.00 C ATOM 708 O GLN A 29 49.740 12.048 15.207 1.00 0.00 O ATOM 709 CB GLN A 29 52.684 10.907 14.585 1.00 0.00 C ATOM 710 CG GLN A 29 53.596 11.469 15.663 1.00 0.00 C ATOM 711 CD GLN A 29 54.968 11.819 15.126 1.00 0.00 C ATOM 712 OE1 GLN A 29 55.119 12.173 13.957 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.977 11.712 15.965 1.00 0.00 N ATOM 0 H GLN A 29 50.180 10.345 13.394 1.00 0.00 H new ATOM 0 HA GLN A 29 51.631 9.514 15.832 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.230 10.148 14.025 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.437 11.705 13.884 1.00 0.00 H new ATOM 0 HG2 GLN A 29 53.139 12.359 16.095 1.00 0.00 H new ATOM 0 HG3 GLN A 29 53.697 10.740 16.467 1.00 0.00 H new ATOM 0 HE21 GLN A 29 55.811 11.415 16.927 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.924 11.926 15.653 1.00 0.00 H new ATOM 722 N ILE A 30 50.691 11.403 17.148 1.00 0.00 N ATOM 723 CA ILE A 30 49.953 12.353 17.964 1.00 0.00 C ATOM 724 C ILE A 30 50.548 13.740 17.826 1.00 0.00 C ATOM 725 O ILE A 30 51.649 14.007 18.316 1.00 0.00 O ATOM 726 CB ILE A 30 49.969 11.965 19.461 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.452 10.542 19.657 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.136 12.953 20.275 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.470 10.083 21.100 1.00 0.00 C ATOM 0 H ILE A 30 51.330 10.807 17.674 1.00 0.00 H new ATOM 0 HA ILE A 30 48.923 12.341 17.607 1.00 0.00 H new ATOM 0 HB ILE A 30 50.999 12.005 19.814 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.432 10.480 19.277 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.057 9.859 19.060 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.157 12.667 21.327 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.549 13.956 20.164 1.00 0.00 H new ATOM 0 HG23 ILE A 30 48.107 12.943 19.917 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.089 9.064 21.162 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.492 10.112 21.478 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.842 10.742 21.699 1.00 0.00 H new ATOM 741 N THR A 31 49.834 14.610 17.156 1.00 0.00 N ATOM 742 CA THR A 31 50.272 15.972 16.982 1.00 0.00 C ATOM 743 C THR A 31 49.573 16.893 17.973 1.00 0.00 C ATOM 744 O THR A 31 49.951 18.053 18.138 1.00 0.00 O ATOM 745 CB THR A 31 50.010 16.446 15.556 1.00 0.00 C ATOM 746 OG1 THR A 31 48.671 16.090 15.166 1.00 0.00 O ATOM 747 CG2 THR A 31 51.005 15.820 14.593 1.00 0.00 C ATOM 0 H THR A 31 48.938 14.396 16.718 1.00 0.00 H new ATOM 0 HA THR A 31 51.345 16.006 17.170 1.00 0.00 H new ATOM 0 HB THR A 31 50.126 17.529 15.522 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.697 15.597 14.320 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.802 16.170 13.581 1.00 0.00 H new ATOM 0 HG22 THR A 31 52.017 16.105 14.879 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.911 14.735 14.627 1.00 0.00 H new ATOM 755 N GLY A 32 48.557 16.363 18.634 1.00 0.00 N ATOM 756 CA GLY A 32 47.820 17.126 19.609 1.00 0.00 C ATOM 757 C GLY A 32 46.669 16.334 20.173 1.00 0.00 C ATOM 758 O GLY A 32 46.397 15.219 19.721 1.00 0.00 O ATOM 0 H GLY A 32 48.229 15.405 18.508 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.487 17.427 20.417 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.444 18.040 19.149 1.00 0.00 H new ATOM 762 N PHE A 33 45.996 16.889 21.157 1.00 0.00 N ATOM 763 CA PHE A 33 44.864 16.221 21.768 1.00 0.00 C ATOM 764 C PHE A 33 43.591 17.019 21.570 1.00 0.00 C ATOM 765 O PHE A 33 43.629 18.237 21.372 1.00 0.00 O ATOM 766 CB PHE A 33 45.112 15.961 23.257 1.00 0.00 C ATOM 767 CG PHE A 33 46.118 14.876 23.519 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.776 13.545 23.341 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.403 15.181 23.940 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.692 12.541 23.576 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.325 14.178 24.178 1.00 0.00 C ATOM 772 CZ PHE A 33 47.966 12.855 23.995 1.00 0.00 C ATOM 0 H PHE A 33 46.213 17.804 21.553 1.00 0.00 H new ATOM 0 HA PHE A 33 44.743 15.257 21.273 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.454 16.883 23.726 1.00 0.00 H new ATOM 0 HB3 PHE A 33 44.169 15.693 23.732 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.779 13.290 23.014 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.687 16.213 24.084 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.410 11.508 23.431 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.323 14.427 24.506 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.683 12.069 24.180 1.00 0.00 H new ATOM 782 N LYS A 34 42.470 16.334 21.622 1.00 0.00 N ATOM 783 CA LYS A 34 41.179 16.954 21.426 1.00 0.00 C ATOM 784 C LYS A 34 40.273 16.624 22.597 1.00 0.00 C ATOM 785 O LYS A 34 40.192 15.480 23.009 1.00 0.00 O ATOM 786 CB LYS A 34 40.549 16.427 20.137 1.00 0.00 C ATOM 787 CG LYS A 34 39.271 17.133 19.744 1.00 0.00 C ATOM 788 CD LYS A 34 38.507 16.345 18.695 1.00 0.00 C ATOM 789 CE LYS A 34 37.094 16.880 18.506 1.00 0.00 C ATOM 790 NZ LYS A 34 37.083 18.276 18.007 1.00 0.00 N ATOM 0 H LYS A 34 42.428 15.331 21.802 1.00 0.00 H new ATOM 0 HA LYS A 34 41.306 18.034 21.356 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.270 16.525 19.326 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.343 15.363 20.254 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.644 17.273 20.625 1.00 0.00 H new ATOM 0 HG3 LYS A 34 39.505 18.125 19.358 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.042 16.388 17.746 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.463 15.296 18.989 1.00 0.00 H new ATOM 0 HE2 LYS A 34 36.557 16.242 17.805 1.00 0.00 H new ATOM 0 HE3 LYS A 34 36.560 16.831 19.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 36.100 18.591 17.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 37.557 18.895 18.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 37.584 18.323 17.097 1.00 0.00 H new ATOM 804 N MET A 35 39.599 17.607 23.136 1.00 0.00 N ATOM 805 CA MET A 35 38.698 17.346 24.237 1.00 0.00 C ATOM 806 C MET A 35 37.352 16.865 23.711 1.00 0.00 C ATOM 807 O MET A 35 36.736 17.509 22.862 1.00 0.00 O ATOM 808 CB MET A 35 38.523 18.581 25.143 1.00 0.00 C ATOM 809 CG MET A 35 37.808 19.753 24.491 1.00 0.00 C ATOM 810 SD MET A 35 37.510 21.106 25.642 1.00 0.00 S ATOM 811 CE MET A 35 36.636 22.252 24.578 1.00 0.00 C ATOM 0 H MET A 35 39.652 18.581 22.839 1.00 0.00 H new ATOM 0 HA MET A 35 39.140 16.560 24.850 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.969 18.285 26.034 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.507 18.913 25.475 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.403 20.117 23.654 1.00 0.00 H new ATOM 0 HG3 MET A 35 36.857 19.412 24.082 1.00 0.00 H new ATOM 0 HE1 MET A 35 36.378 23.148 25.142 1.00 0.00 H new ATOM 0 HE2 MET A 35 37.272 22.524 23.736 1.00 0.00 H new ATOM 0 HE3 MET A 35 35.725 21.782 24.208 1.00 0.00 H new ATOM 821 N THR A 36 36.930 15.716 24.178 1.00 0.00 N ATOM 822 CA THR A 36 35.653 15.169 23.800 1.00 0.00 C ATOM 823 C THR A 36 34.721 15.161 25.003 1.00 0.00 C ATOM 824 O THR A 36 35.139 15.501 26.115 1.00 0.00 O ATOM 825 CB THR A 36 35.803 13.752 23.203 1.00 0.00 C ATOM 826 OG1 THR A 36 36.755 13.006 23.959 1.00 0.00 O ATOM 827 CG2 THR A 36 36.261 13.823 21.754 1.00 0.00 C ATOM 0 H THR A 36 37.461 15.136 24.828 1.00 0.00 H new ATOM 0 HA THR A 36 35.220 15.801 23.024 1.00 0.00 H new ATOM 0 HB THR A 36 34.831 13.260 23.243 1.00 0.00 H new ATOM 0 HG1 THR A 36 36.805 13.367 24.869 1.00 0.00 H new ATOM 0 HG21 THR A 36 36.360 12.814 21.354 1.00 0.00 H new ATOM 0 HG22 THR A 36 35.527 14.376 21.167 1.00 0.00 H new ATOM 0 HG23 THR A 36 37.224 14.330 21.701 1.00 0.00 H new ATOM 835 N ASP A 37 33.475 14.789 24.803 1.00 0.00 N ATOM 836 CA ASP A 37 32.511 14.837 25.885 1.00 0.00 C ATOM 837 C ASP A 37 32.136 13.449 26.384 1.00 0.00 C ATOM 838 O ASP A 37 32.725 12.949 27.343 1.00 0.00 O ATOM 839 CB ASP A 37 31.261 15.620 25.470 1.00 0.00 C ATOM 840 CG ASP A 37 31.565 17.070 25.142 1.00 0.00 C ATOM 841 OD1 ASP A 37 31.627 17.899 26.076 1.00 0.00 O ATOM 842 OD2 ASP A 37 31.748 17.389 23.950 1.00 0.00 O ATOM 0 H ASP A 37 33.107 14.453 23.913 1.00 0.00 H new ATOM 0 HA ASP A 37 32.989 15.359 26.714 1.00 0.00 H new ATOM 0 HB2 ASP A 37 30.809 15.142 24.601 1.00 0.00 H new ATOM 0 HB3 ASP A 37 30.527 15.579 26.275 1.00 0.00 H new ATOM 847 N GLY A 38 31.189 12.814 25.712 1.00 0.00 N ATOM 848 CA GLY A 38 30.711 11.512 26.146 1.00 0.00 C ATOM 849 C GLY A 38 31.602 10.372 25.706 1.00 0.00 C ATOM 850 O GLY A 38 31.181 9.515 24.927 1.00 0.00 O ATOM 0 H GLY A 38 30.740 13.176 24.871 1.00 0.00 H new ATOM 0 HA2 GLY A 38 30.633 11.505 27.233 1.00 0.00 H new ATOM 0 HA3 GLY A 38 29.707 11.352 25.754 1.00 0.00 H new ATOM 854 N SER A 39 32.829 10.354 26.215 1.00 0.00 N ATOM 855 CA SER A 39 33.803 9.320 25.873 1.00 0.00 C ATOM 856 C SER A 39 35.101 9.510 26.655 1.00 0.00 C ATOM 857 O SER A 39 35.778 8.537 27.009 1.00 0.00 O ATOM 858 CB SER A 39 34.091 9.345 24.371 1.00 0.00 C ATOM 859 OG SER A 39 34.356 10.669 23.933 1.00 0.00 O ATOM 0 H SER A 39 33.177 11.051 26.873 1.00 0.00 H new ATOM 0 HA SER A 39 33.379 8.352 26.142 1.00 0.00 H new ATOM 0 HB2 SER A 39 34.945 8.705 24.149 1.00 0.00 H new ATOM 0 HB3 SER A 39 33.239 8.940 23.825 1.00 0.00 H new ATOM 0 HG SER A 39 34.704 10.647 23.017 1.00 0.00 H new ATOM 865 N GLY A 40 35.434 10.760 26.922 1.00 0.00 N ATOM 866 CA GLY A 40 36.656 11.079 27.619 1.00 0.00 C ATOM 867 C GLY A 40 37.441 12.115 26.859 1.00 0.00 C ATOM 868 O GLY A 40 36.932 13.206 26.590 1.00 0.00 O ATOM 0 H GLY A 40 34.870 11.570 26.664 1.00 0.00 H new ATOM 0 HA2 GLY A 40 36.426 11.449 28.618 1.00 0.00 H new ATOM 0 HA3 GLY A 40 37.257 10.178 27.743 1.00 0.00 H new ATOM 872 N VAL A 41 38.663 11.791 26.498 1.00 0.00 N ATOM 873 CA VAL A 41 39.479 12.691 25.707 1.00 0.00 C ATOM 874 C VAL A 41 39.831 12.043 24.361 1.00 0.00 C ATOM 875 O VAL A 41 40.013 10.826 24.274 1.00 0.00 O ATOM 876 CB VAL A 41 40.777 13.097 26.454 1.00 0.00 C ATOM 877 CG1 VAL A 41 41.587 14.099 25.640 1.00 0.00 C ATOM 878 CG2 VAL A 41 40.452 13.667 27.830 1.00 0.00 C ATOM 0 H VAL A 41 39.116 10.910 26.739 1.00 0.00 H new ATOM 0 HA VAL A 41 38.897 13.596 25.533 1.00 0.00 H new ATOM 0 HB VAL A 41 41.381 12.199 26.586 1.00 0.00 H new ATOM 0 HG11 VAL A 41 42.491 14.366 26.187 1.00 0.00 H new ATOM 0 HG12 VAL A 41 41.860 13.654 24.683 1.00 0.00 H new ATOM 0 HG13 VAL A 41 40.990 14.994 25.467 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.376 13.945 28.336 1.00 0.00 H new ATOM 0 HG22 VAL A 41 39.820 14.548 27.719 1.00 0.00 H new ATOM 0 HG23 VAL A 41 39.927 12.916 28.420 1.00 0.00 H new ATOM 888 N GLY A 42 39.902 12.851 23.324 1.00 0.00 N ATOM 889 CA GLY A 42 40.229 12.353 22.016 1.00 0.00 C ATOM 890 C GLY A 42 41.650 12.686 21.624 1.00 0.00 C ATOM 891 O GLY A 42 42.264 13.600 22.182 1.00 0.00 O ATOM 0 H GLY A 42 39.736 13.857 23.368 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.090 11.272 21.994 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.542 12.777 21.284 1.00 0.00 H new ATOM 895 N VAL A 43 42.172 11.961 20.670 1.00 0.00 N ATOM 896 CA VAL A 43 43.525 12.159 20.205 1.00 0.00 C ATOM 897 C VAL A 43 43.520 12.581 18.742 1.00 0.00 C ATOM 898 O VAL A 43 42.927 11.903 17.899 1.00 0.00 O ATOM 899 CB VAL A 43 44.359 10.861 20.349 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.811 11.106 19.974 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.254 10.301 21.762 1.00 0.00 C ATOM 0 H VAL A 43 41.671 11.213 20.190 1.00 0.00 H new ATOM 0 HA VAL A 43 43.975 12.941 20.817 1.00 0.00 H new ATOM 0 HB VAL A 43 43.951 10.121 19.660 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.376 10.180 20.083 1.00 0.00 H new ATOM 0 HG12 VAL A 43 45.867 11.446 18.940 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.233 11.868 20.630 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.848 9.390 21.837 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.627 11.037 22.474 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.212 10.074 21.987 1.00 0.00 H new ATOM 911 N ILE A 44 44.158 13.701 18.445 1.00 0.00 N ATOM 912 CA ILE A 44 44.262 14.168 17.078 1.00 0.00 C ATOM 913 C ILE A 44 45.477 13.531 16.421 1.00 0.00 C ATOM 914 O ILE A 44 46.628 13.878 16.722 1.00 0.00 O ATOM 915 CB ILE A 44 44.346 15.714 16.995 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.065 16.336 17.552 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.581 16.169 15.556 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.076 17.851 17.576 1.00 0.00 C ATOM 0 H ILE A 44 44.611 14.302 19.134 1.00 0.00 H new ATOM 0 HA ILE A 44 43.357 13.872 16.547 1.00 0.00 H new ATOM 0 HB ILE A 44 45.192 16.049 17.596 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.219 15.998 16.953 1.00 0.00 H new ATOM 0 HG13 ILE A 44 42.905 15.968 18.565 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.636 17.257 15.523 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.516 15.747 15.189 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.758 15.828 14.928 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.133 18.215 17.984 1.00 0.00 H new ATOM 0 HD12 ILE A 44 43.900 18.199 18.199 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.203 18.230 16.562 1.00 0.00 H new ATOM 930 N VAL A 45 45.213 12.584 15.549 1.00 0.00 N ATOM 931 CA VAL A 45 46.253 11.814 14.915 1.00 0.00 C ATOM 932 C VAL A 45 46.531 12.304 13.501 1.00 0.00 C ATOM 933 O VAL A 45 45.620 12.410 12.670 1.00 0.00 O ATOM 934 CB VAL A 45 45.870 10.314 14.858 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.017 9.480 14.316 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.440 9.814 16.230 1.00 0.00 C ATOM 0 H VAL A 45 44.269 12.328 15.261 1.00 0.00 H new ATOM 0 HA VAL A 45 47.153 11.942 15.517 1.00 0.00 H new ATOM 0 HB VAL A 45 45.026 10.208 14.177 1.00 0.00 H new ATOM 0 HG11 VAL A 45 46.722 8.431 14.286 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.267 9.815 13.309 1.00 0.00 H new ATOM 0 HG13 VAL A 45 47.887 9.594 14.963 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.176 8.758 16.166 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.260 9.941 16.937 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.576 10.384 16.571 1.00 0.00 H new ATOM 946 N THR A 46 47.783 12.607 13.237 1.00 0.00 N ATOM 947 CA THR A 46 48.209 13.003 11.921 1.00 0.00 C ATOM 948 C THR A 46 48.998 11.860 11.297 1.00 0.00 C ATOM 949 O THR A 46 50.007 11.414 11.846 1.00 0.00 O ATOM 950 CB THR A 46 49.070 14.279 11.969 1.00 0.00 C ATOM 951 OG1 THR A 46 48.328 15.329 12.613 1.00 0.00 O ATOM 952 CG2 THR A 46 49.458 14.729 10.564 1.00 0.00 C ATOM 0 H THR A 46 48.531 12.585 13.931 1.00 0.00 H new ATOM 0 HA THR A 46 47.329 13.225 11.317 1.00 0.00 H new ATOM 0 HB THR A 46 49.980 14.061 12.528 1.00 0.00 H new ATOM 0 HG1 THR A 46 48.804 16.179 12.506 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.066 15.632 10.626 1.00 0.00 H new ATOM 0 HG22 THR A 46 50.029 13.940 10.074 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.557 14.937 9.987 1.00 0.00 H new ATOM 960 N PHE A 47 48.514 11.366 10.182 1.00 0.00 N ATOM 961 CA PHE A 47 49.128 10.240 9.512 1.00 0.00 C ATOM 962 C PHE A 47 50.169 10.702 8.493 1.00 0.00 C ATOM 963 O PHE A 47 50.135 11.847 8.033 1.00 0.00 O ATOM 964 CB PHE A 47 48.049 9.393 8.828 1.00 0.00 C ATOM 965 CG PHE A 47 47.041 8.798 9.783 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.910 9.505 10.156 1.00 0.00 C ATOM 967 CD2 PHE A 47 47.227 7.532 10.299 1.00 0.00 C ATOM 968 CE1 PHE A 47 44.990 8.955 11.029 1.00 0.00 C ATOM 969 CE2 PHE A 47 46.311 6.978 11.171 1.00 0.00 C ATOM 970 CZ PHE A 47 45.192 7.690 11.535 1.00 0.00 C ATOM 0 H PHE A 47 47.685 11.731 9.713 1.00 0.00 H new ATOM 0 HA PHE A 47 49.641 9.634 10.258 1.00 0.00 H new ATOM 0 HB2 PHE A 47 47.524 10.011 8.099 1.00 0.00 H new ATOM 0 HB3 PHE A 47 48.530 8.587 8.275 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.745 10.496 9.761 1.00 0.00 H new ATOM 0 HD2 PHE A 47 48.102 6.966 10.017 1.00 0.00 H new ATOM 0 HE1 PHE A 47 44.113 9.517 11.314 1.00 0.00 H new ATOM 0 HE2 PHE A 47 46.473 5.986 11.567 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.473 7.258 12.216 1.00 0.00 H new ATOM 980 N ASP A 48 51.080 9.795 8.133 1.00 0.00 N ATOM 981 CA ASP A 48 52.145 10.085 7.158 1.00 0.00 C ATOM 982 C ASP A 48 51.553 10.413 5.792 1.00 0.00 C ATOM 983 O ASP A 48 52.145 11.146 4.999 1.00 0.00 O ATOM 984 CB ASP A 48 53.103 8.894 7.051 1.00 0.00 C ATOM 985 CG ASP A 48 54.141 9.055 5.954 1.00 0.00 C ATOM 986 OD1 ASP A 48 55.155 9.747 6.183 1.00 0.00 O ATOM 987 OD2 ASP A 48 53.957 8.471 4.864 1.00 0.00 O ATOM 0 H ASP A 48 51.105 8.845 8.503 1.00 0.00 H new ATOM 0 HA ASP A 48 52.702 10.955 7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 48 53.611 8.759 8.006 1.00 0.00 H new ATOM 0 HB3 ASP A 48 52.526 7.988 6.866 1.00 0.00 H new ATOM 992 N ASP A 49 50.364 9.884 5.540 1.00 0.00 N ATOM 993 CA ASP A 49 49.645 10.126 4.287 1.00 0.00 C ATOM 994 C ASP A 49 49.062 11.559 4.253 1.00 0.00 C ATOM 995 O ASP A 49 48.317 11.925 3.336 1.00 0.00 O ATOM 996 CB ASP A 49 48.541 9.072 4.116 1.00 0.00 C ATOM 997 CG ASP A 49 47.846 9.141 2.772 1.00 0.00 C ATOM 998 OD1 ASP A 49 48.537 9.065 1.733 1.00 0.00 O ATOM 999 OD2 ASP A 49 46.604 9.257 2.747 1.00 0.00 O ATOM 0 H ASP A 49 49.868 9.277 6.192 1.00 0.00 H new ATOM 0 HA ASP A 49 50.343 10.040 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 49 48.974 8.080 4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 49 47.801 9.200 4.906 1.00 0.00 H new ATOM 1004 N ARG A 50 49.423 12.357 5.270 1.00 0.00 N ATOM 1005 CA ARG A 50 49.021 13.769 5.396 1.00 0.00 C ATOM 1006 C ARG A 50 47.562 13.928 5.796 1.00 0.00 C ATOM 1007 O ARG A 50 46.990 15.012 5.677 1.00 0.00 O ATOM 1008 CB ARG A 50 49.330 14.565 4.117 1.00 0.00 C ATOM 1009 CG ARG A 50 50.818 14.689 3.808 1.00 0.00 C ATOM 1010 CD ARG A 50 51.594 15.218 5.008 1.00 0.00 C ATOM 1011 NE ARG A 50 50.995 16.433 5.562 1.00 0.00 N ATOM 1012 CZ ARG A 50 51.283 16.935 6.767 1.00 0.00 C ATOM 1013 NH1 ARG A 50 52.179 16.336 7.545 1.00 0.00 N ATOM 1014 NH2 ARG A 50 50.671 18.031 7.192 1.00 0.00 N ATOM 0 H ARG A 50 50.011 12.036 6.039 1.00 0.00 H new ATOM 0 HA ARG A 50 49.621 14.185 6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.833 14.085 3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 50 48.904 15.564 4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.213 13.715 3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 50 50.960 15.357 2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 50 51.633 14.450 5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 50 52.622 15.425 4.711 1.00 0.00 H new ATOM 0 HE ARG A 50 50.312 16.930 4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 50 52.650 15.490 7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 50 52.396 16.722 8.464 1.00 0.00 H new ATOM 0 HH21 ARG A 50 49.980 18.492 6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 50 50.891 18.414 8.111 1.00 0.00 H new ATOM 1028 N SER A 51 46.973 12.863 6.288 1.00 0.00 N ATOM 1029 CA SER A 51 45.602 12.901 6.746 1.00 0.00 C ATOM 1030 C SER A 51 45.566 13.072 8.258 1.00 0.00 C ATOM 1031 O SER A 51 46.246 12.348 8.983 1.00 0.00 O ATOM 1032 CB SER A 51 44.882 11.619 6.347 1.00 0.00 C ATOM 1033 OG SER A 51 45.022 11.371 4.957 1.00 0.00 O ATOM 0 H SER A 51 47.425 11.953 6.382 1.00 0.00 H new ATOM 0 HA SER A 51 45.096 13.747 6.281 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.286 10.779 6.913 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.825 11.696 6.602 1.00 0.00 H new ATOM 0 HG SER A 51 44.554 10.542 4.724 1.00 0.00 H new ATOM 1039 N SER A 52 44.800 14.030 8.725 1.00 0.00 N ATOM 1040 CA SER A 52 44.674 14.268 10.147 1.00 0.00 C ATOM 1041 C SER A 52 43.226 14.115 10.589 1.00 0.00 C ATOM 1042 O SER A 52 42.312 14.680 9.979 1.00 0.00 O ATOM 1043 CB SER A 52 45.210 15.657 10.507 1.00 0.00 C ATOM 1044 OG SER A 52 44.620 16.660 9.695 1.00 0.00 O ATOM 0 H SER A 52 44.252 14.660 8.140 1.00 0.00 H new ATOM 0 HA SER A 52 45.270 13.525 10.676 1.00 0.00 H new ATOM 0 HB2 SER A 52 45.005 15.868 11.557 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.293 15.675 10.383 1.00 0.00 H new ATOM 0 HG SER A 52 44.978 17.537 9.946 1.00 0.00 H new ATOM 1050 N THR A 53 43.019 13.341 11.626 1.00 0.00 N ATOM 1051 CA THR A 53 41.696 13.109 12.154 1.00 0.00 C ATOM 1052 C THR A 53 41.803 12.732 13.626 1.00 0.00 C ATOM 1053 O THR A 53 42.902 12.511 14.128 1.00 0.00 O ATOM 1054 CB THR A 53 40.955 12.004 11.349 1.00 0.00 C ATOM 1055 OG1 THR A 53 39.597 11.873 11.798 1.00 0.00 O ATOM 1056 CG2 THR A 53 41.663 10.668 11.473 1.00 0.00 C ATOM 0 H THR A 53 43.762 12.854 12.128 1.00 0.00 H new ATOM 0 HA THR A 53 41.111 14.024 12.059 1.00 0.00 H new ATOM 0 HB THR A 53 40.958 12.304 10.301 1.00 0.00 H new ATOM 0 HG1 THR A 53 39.147 11.174 11.279 1.00 0.00 H new ATOM 0 HG21 THR A 53 41.122 9.915 10.900 1.00 0.00 H new ATOM 0 HG22 THR A 53 42.679 10.757 11.087 1.00 0.00 H new ATOM 0 HG23 THR A 53 41.698 10.371 12.521 1.00 0.00 H new ATOM 1064 N TRP A 54 40.688 12.661 14.314 1.00 0.00 N ATOM 1065 CA TRP A 54 40.713 12.375 15.731 1.00 0.00 C ATOM 1066 C TRP A 54 40.051 11.046 16.055 1.00 0.00 C ATOM 1067 O TRP A 54 39.100 10.629 15.393 1.00 0.00 O ATOM 1068 CB TRP A 54 40.056 13.512 16.527 1.00 0.00 C ATOM 1069 CG TRP A 54 38.623 13.768 16.156 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.169 14.524 15.116 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.458 13.276 16.830 1.00 0.00 C ATOM 1072 NE1 TRP A 54 36.799 14.529 15.099 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.337 13.770 16.139 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.256 12.464 17.950 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.034 13.482 16.530 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 35.962 12.177 18.335 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.866 12.683 17.627 1.00 0.00 C ATOM 0 H TRP A 54 39.757 12.796 13.920 1.00 0.00 H new ATOM 0 HA TRP A 54 41.760 12.299 16.026 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.109 13.276 17.590 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.629 14.427 16.375 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.798 15.043 14.408 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.217 15.020 14.420 1.00 0.00 H new ATOM 0 HE3 TRP A 54 38.096 12.069 18.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.187 13.875 15.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.792 11.551 19.198 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.866 12.437 17.954 1.00 0.00 H new ATOM 1088 N PHE A 55 40.581 10.391 17.062 1.00 0.00 N ATOM 1089 CA PHE A 55 40.045 9.138 17.563 1.00 0.00 C ATOM 1090 C PHE A 55 40.000 9.203 19.072 1.00 0.00 C ATOM 1091 O PHE A 55 40.579 10.108 19.664 1.00 0.00 O ATOM 1092 CB PHE A 55 40.900 7.951 17.105 1.00 0.00 C ATOM 1093 CG PHE A 55 40.829 7.692 15.629 1.00 0.00 C ATOM 1094 CD1 PHE A 55 39.748 7.020 15.085 1.00 0.00 C ATOM 1095 CD2 PHE A 55 41.838 8.125 14.787 1.00 0.00 C ATOM 1096 CE1 PHE A 55 39.673 6.783 13.729 1.00 0.00 C ATOM 1097 CE2 PHE A 55 41.768 7.892 13.430 1.00 0.00 C ATOM 1098 CZ PHE A 55 40.684 7.220 12.900 1.00 0.00 C ATOM 0 H PHE A 55 41.407 10.714 17.565 1.00 0.00 H new ATOM 0 HA PHE A 55 39.041 8.991 17.166 1.00 0.00 H new ATOM 0 HB2 PHE A 55 41.938 8.133 17.384 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.579 7.056 17.638 1.00 0.00 H new ATOM 0 HD1 PHE A 55 38.953 6.677 15.731 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.688 8.650 15.197 1.00 0.00 H new ATOM 0 HE1 PHE A 55 38.825 6.256 13.317 1.00 0.00 H new ATOM 0 HE2 PHE A 55 42.561 8.235 12.782 1.00 0.00 H new ATOM 0 HZ PHE A 55 40.628 7.037 11.837 1.00 0.00 H new ATOM 1108 N PHE A 56 39.323 8.273 19.699 1.00 0.00 N ATOM 1109 CA PHE A 56 39.215 8.292 21.150 1.00 0.00 C ATOM 1110 C PHE A 56 40.462 7.721 21.814 1.00 0.00 C ATOM 1111 O PHE A 56 41.197 6.931 21.212 1.00 0.00 O ATOM 1112 CB PHE A 56 37.960 7.557 21.615 1.00 0.00 C ATOM 1113 CG PHE A 56 36.700 8.128 21.030 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.248 9.375 21.424 1.00 0.00 C ATOM 1115 CD2 PHE A 56 35.979 7.430 20.076 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.100 9.914 20.880 1.00 0.00 C ATOM 1117 CE2 PHE A 56 34.832 7.966 19.529 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.392 9.208 19.933 1.00 0.00 C ATOM 0 H PHE A 56 38.841 7.499 19.241 1.00 0.00 H new ATOM 0 HA PHE A 56 39.130 9.334 21.458 1.00 0.00 H new ATOM 0 HB2 PHE A 56 38.038 6.505 21.341 1.00 0.00 H new ATOM 0 HB3 PHE A 56 37.902 7.599 22.703 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.800 9.933 22.166 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.318 6.456 19.757 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.757 10.888 21.196 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.279 7.413 18.784 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.492 9.627 19.507 1.00 0.00 H new ATOM 1128 N GLU A 57 40.695 8.140 23.050 1.00 0.00 N ATOM 1129 CA GLU A 57 41.854 7.709 23.834 1.00 0.00 C ATOM 1130 C GLU A 57 41.987 6.181 23.888 1.00 0.00 C ATOM 1131 O GLU A 57 43.061 5.638 23.649 1.00 0.00 O ATOM 1132 CB GLU A 57 41.764 8.278 25.253 1.00 0.00 C ATOM 1133 CG GLU A 57 40.421 8.029 25.927 1.00 0.00 C ATOM 1134 CD GLU A 57 40.386 8.477 27.370 1.00 0.00 C ATOM 1135 OE1 GLU A 57 40.862 7.718 28.241 1.00 0.00 O ATOM 1136 OE2 GLU A 57 39.866 9.572 27.645 1.00 0.00 O ATOM 0 H GLU A 57 40.085 8.792 23.543 1.00 0.00 H new ATOM 0 HA GLU A 57 42.745 8.093 23.337 1.00 0.00 H new ATOM 0 HB2 GLU A 57 42.554 7.838 25.862 1.00 0.00 H new ATOM 0 HB3 GLU A 57 41.949 9.352 25.217 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.641 8.551 25.372 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.189 6.965 25.878 1.00 0.00 H new ATOM 1143 N ASP A 58 40.892 5.498 24.175 1.00 0.00 N ATOM 1144 CA ASP A 58 40.912 4.044 24.309 1.00 0.00 C ATOM 1145 C ASP A 58 40.534 3.378 22.984 1.00 0.00 C ATOM 1146 O ASP A 58 40.076 2.237 22.943 1.00 0.00 O ATOM 1147 CB ASP A 58 39.953 3.612 25.421 1.00 0.00 C ATOM 1148 CG ASP A 58 40.294 2.251 25.992 1.00 0.00 C ATOM 1149 OD1 ASP A 58 41.228 2.171 26.820 1.00 0.00 O ATOM 1150 OD2 ASP A 58 39.624 1.270 25.643 1.00 0.00 O ATOM 0 H ASP A 58 39.976 5.923 24.320 1.00 0.00 H new ATOM 0 HA ASP A 58 41.921 3.727 24.572 1.00 0.00 H new ATOM 0 HB2 ASP A 58 39.974 4.352 26.221 1.00 0.00 H new ATOM 0 HB3 ASP A 58 38.936 3.593 25.030 1.00 0.00 H new ATOM 1155 N GLU A 59 40.742 4.103 21.910 1.00 0.00 N ATOM 1156 CA GLU A 59 40.429 3.627 20.577 1.00 0.00 C ATOM 1157 C GLU A 59 41.722 3.426 19.769 1.00 0.00 C ATOM 1158 O GLU A 59 41.761 2.658 18.799 1.00 0.00 O ATOM 1159 CB GLU A 59 39.476 4.631 19.915 1.00 0.00 C ATOM 1160 CG GLU A 59 39.111 4.355 18.483 1.00 0.00 C ATOM 1161 CD GLU A 59 37.931 5.189 18.043 1.00 0.00 C ATOM 1162 OE1 GLU A 59 38.092 6.417 17.877 1.00 0.00 O ATOM 1163 OE2 GLU A 59 36.827 4.623 17.878 1.00 0.00 O ATOM 0 H GLU A 59 41.135 5.044 21.933 1.00 0.00 H new ATOM 0 HA GLU A 59 39.933 2.657 20.619 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.558 4.670 20.501 1.00 0.00 H new ATOM 0 HB3 GLU A 59 39.930 5.621 19.968 1.00 0.00 H new ATOM 0 HG2 GLU A 59 39.966 4.566 17.841 1.00 0.00 H new ATOM 0 HG3 GLU A 59 38.875 3.297 18.364 1.00 0.00 H new ATOM 1170 N VAL A 60 42.788 4.078 20.204 1.00 0.00 N ATOM 1171 CA VAL A 60 44.076 3.964 19.538 1.00 0.00 C ATOM 1172 C VAL A 60 45.094 3.252 20.427 1.00 0.00 C ATOM 1173 O VAL A 60 44.887 3.102 21.638 1.00 0.00 O ATOM 1174 CB VAL A 60 44.638 5.345 19.119 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.772 5.970 18.037 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.747 6.275 20.322 1.00 0.00 C ATOM 0 H VAL A 60 42.787 4.693 21.018 1.00 0.00 H new ATOM 0 HA VAL A 60 43.908 3.374 18.637 1.00 0.00 H new ATOM 0 HB VAL A 60 45.639 5.195 18.714 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.184 6.940 17.756 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.753 5.317 17.164 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.758 6.102 18.414 1.00 0.00 H new ATOM 0 HG21 VAL A 60 45.144 7.238 20.002 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.760 6.417 20.762 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.415 5.835 21.063 1.00 0.00 H new ATOM 1186 N GLU A 61 46.178 2.800 19.817 1.00 0.00 N ATOM 1187 CA GLU A 61 47.238 2.106 20.530 1.00 0.00 C ATOM 1188 C GLU A 61 48.564 2.836 20.337 1.00 0.00 C ATOM 1189 O GLU A 61 48.818 3.396 19.268 1.00 0.00 O ATOM 1190 CB GLU A 61 47.359 0.659 20.027 1.00 0.00 C ATOM 1191 CG GLU A 61 47.743 0.549 18.554 1.00 0.00 C ATOM 1192 CD GLU A 61 47.875 -0.879 18.081 1.00 0.00 C ATOM 1193 OE1 GLU A 61 48.748 -1.601 18.596 1.00 0.00 O ATOM 1194 OE2 GLU A 61 47.115 -1.291 17.179 1.00 0.00 O ATOM 0 H GLU A 61 46.348 2.904 18.817 1.00 0.00 H new ATOM 0 HA GLU A 61 46.992 2.090 21.592 1.00 0.00 H new ATOM 0 HB2 GLU A 61 48.104 0.137 20.627 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.409 0.149 20.184 1.00 0.00 H new ATOM 0 HG2 GLU A 61 46.992 1.057 17.950 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.688 1.068 18.391 1.00 0.00 H new ATOM 1201 N VAL A 62 49.394 2.836 21.363 1.00 0.00 N ATOM 1202 CA VAL A 62 50.695 3.485 21.296 1.00 0.00 C ATOM 1203 C VAL A 62 51.707 2.553 20.638 1.00 0.00 C ATOM 1204 O VAL A 62 51.821 1.382 21.018 1.00 0.00 O ATOM 1205 CB VAL A 62 51.202 3.884 22.704 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.525 4.632 22.615 1.00 0.00 C ATOM 1207 CG2 VAL A 62 50.159 4.723 23.426 1.00 0.00 C ATOM 0 H VAL A 62 49.191 2.392 22.259 1.00 0.00 H new ATOM 0 HA VAL A 62 50.585 4.392 20.702 1.00 0.00 H new ATOM 0 HB VAL A 62 51.369 2.972 23.277 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.859 4.901 23.617 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.272 3.995 22.142 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.392 5.537 22.022 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.531 4.995 24.414 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.959 5.628 22.852 1.00 0.00 H new ATOM 0 HG23 VAL A 62 49.239 4.148 23.530 1.00 0.00 H new ATOM 1217 N VAL A 63 52.428 3.065 19.654 1.00 0.00 N ATOM 1218 CA VAL A 63 53.394 2.267 18.920 1.00 0.00 C ATOM 1219 C VAL A 63 54.674 3.050 18.663 1.00 0.00 C ATOM 1220 O VAL A 63 54.703 4.277 18.775 1.00 0.00 O ATOM 1221 CB VAL A 63 52.827 1.760 17.562 1.00 0.00 C ATOM 1222 CG1 VAL A 63 51.702 0.757 17.774 1.00 0.00 C ATOM 1223 CG2 VAL A 63 52.348 2.924 16.706 1.00 0.00 C ATOM 0 H VAL A 63 52.361 4.035 19.345 1.00 0.00 H new ATOM 0 HA VAL A 63 53.615 1.403 19.547 1.00 0.00 H new ATOM 0 HB VAL A 63 53.636 1.254 17.035 1.00 0.00 H new ATOM 0 HG11 VAL A 63 51.327 0.421 16.807 1.00 0.00 H new ATOM 0 HG12 VAL A 63 52.078 -0.099 18.334 1.00 0.00 H new ATOM 0 HG13 VAL A 63 50.894 1.229 18.333 1.00 0.00 H new ATOM 0 HG21 VAL A 63 51.956 2.545 15.762 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.562 3.465 17.234 1.00 0.00 H new ATOM 0 HG23 VAL A 63 53.182 3.597 16.508 1.00 0.00 H new ATOM 1233 N GLY A 64 55.718 2.327 18.326 1.00 0.00 N ATOM 1234 CA GLY A 64 56.989 2.931 18.033 1.00 0.00 C ATOM 1235 C GLY A 64 57.826 3.107 19.269 1.00 0.00 C ATOM 1236 O GLY A 64 57.848 4.222 19.822 1.00 0.00 O ATOM 1237 OXT GLY A 64 58.445 2.122 19.718 1.00 0.00 O ATOM 0 H GLY A 64 55.706 1.310 18.249 1.00 0.00 H new ATOM 0 HA2 GLY A 64 57.528 2.312 17.315 1.00 0.00 H new ATOM 0 HA3 GLY A 64 56.830 3.901 17.562 1.00 0.00 H new TER 1241 GLY A 64