USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 618 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 14 ASN : amide:sc= 0.0946 K(o=0.76,f=-1.2!) USER MOD Set 1.2: A 30 TYR OH : rot 176:sc= 0.669 USER MOD Set 2.1: A 27 GLN : amide:sc= 0.0606 K(o=0.5,f=1.3) USER MOD Set 2.2: A 70 THR OG1 : rot 5:sc= 0.434 USER MOD Set 3.1: A 24 THR OG1 : rot -68:sc= 2.3 USER MOD Set 3.2: A 26 THR OG1 : rot -94:sc= 0.925 USER MOD Set 4.1: A 11 GLN : amide:sc= -1.24! K(o=-1.2!,f=-0.017) USER MOD Set 4.2: A 15 SER OG : rot -130:sc= 0 USER MOD Single : A 1 SER N :NH3+ 172:sc= 0.0782 (180deg=0.0273) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00985 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 168:sc= -0.333 (180deg=-0.696) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.55! C(o=-1.6!,f=-5.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0619 USER MOD Single : A 40 SER OG : rot 98:sc= 0.639 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.705 K(o=0.71,f=-5.9!) USER MOD Single : A 50 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.19) USER MOD Single : A 51 SER OG : rot 136:sc= 1.29 USER MOD Single : A 52 SER OG : rot 83:sc= 1.28 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 160:sc= -0.371 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0931 X(o=-0.093,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.329 K(o=0.33,f=-5.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00598 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.869 -5.764 -2.592 1.00 2.75 N ATOM 2 CA SER A 1 -10.354 -5.828 -3.984 1.00 2.38 C ATOM 3 C SER A 1 -9.183 -5.823 -4.961 1.00 1.65 C ATOM 4 O SER A 1 -8.567 -4.782 -5.181 1.00 1.91 O ATOM 5 CB SER A 1 -11.272 -4.637 -4.248 1.00 2.96 C ATOM 6 OG SER A 1 -12.294 -4.561 -3.263 1.00 3.75 O ATOM 0 H1 SER A 1 -10.676 -5.632 -1.949 1.00 2.75 H new ATOM 0 H2 SER A 1 -9.378 -6.650 -2.354 1.00 2.75 H new ATOM 0 H3 SER A 1 -9.211 -4.965 -2.490 1.00 2.75 H new ATOM 0 HA SER A 1 -10.909 -6.755 -4.130 1.00 2.38 H new ATOM 0 HB2 SER A 1 -10.690 -3.716 -4.247 1.00 2.96 H new ATOM 0 HB3 SER A 1 -11.720 -4.729 -5.237 1.00 2.96 H new ATOM 0 HG SER A 1 -12.871 -3.791 -3.449 1.00 3.75 H new ATOM 14 N GLN A 2 -8.883 -6.992 -5.536 1.00 1.37 N ATOM 15 CA GLN A 2 -7.746 -7.150 -6.447 1.00 0.95 C ATOM 16 C GLN A 2 -6.456 -6.747 -5.734 1.00 0.75 C ATOM 17 O GLN A 2 -5.924 -5.654 -5.931 1.00 0.86 O ATOM 18 CB GLN A 2 -7.951 -6.327 -7.726 1.00 1.47 C ATOM 19 CG GLN A 2 -6.849 -6.502 -8.758 1.00 2.07 C ATOM 20 CD GLN A 2 -7.147 -5.768 -10.050 1.00 2.71 C ATOM 21 OE1 GLN A 2 -6.808 -4.595 -10.210 1.00 3.23 O ATOM 22 NE2 GLN A 2 -7.779 -6.457 -10.986 1.00 3.34 N ATOM 0 H GLN A 2 -9.416 -7.848 -5.385 1.00 1.37 H new ATOM 0 HA GLN A 2 -7.671 -8.197 -6.741 1.00 0.95 H new ATOM 0 HB2 GLN A 2 -8.904 -6.606 -8.176 1.00 1.47 H new ATOM 0 HB3 GLN A 2 -8.021 -5.272 -7.460 1.00 1.47 H new ATOM 0 HG2 GLN A 2 -5.908 -6.139 -8.346 1.00 2.07 H new ATOM 0 HG3 GLN A 2 -6.717 -7.563 -8.968 1.00 2.07 H new ATOM 0 HE21 GLN A 2 -8.043 -7.427 -10.814 1.00 3.34 H new ATOM 0 HE22 GLN A 2 -8.002 -6.018 -11.879 1.00 3.34 H new ATOM 31 N GLU A 3 -5.959 -7.653 -4.907 1.00 0.57 N ATOM 32 CA GLU A 3 -4.868 -7.341 -4.000 1.00 0.47 C ATOM 33 C GLU A 3 -3.762 -8.378 -4.108 1.00 0.42 C ATOM 34 O GLU A 3 -3.874 -9.346 -4.863 1.00 0.50 O ATOM 35 CB GLU A 3 -5.402 -7.263 -2.566 1.00 0.58 C ATOM 36 CG GLU A 3 -6.455 -6.178 -2.398 1.00 0.70 C ATOM 37 CD GLU A 3 -7.087 -6.149 -1.025 1.00 1.26 C ATOM 38 OE1 GLU A 3 -7.899 -7.053 -0.719 1.00 1.35 O ATOM 39 OE2 GLU A 3 -6.744 -5.249 -0.233 1.00 1.99 O ATOM 0 H GLU A 3 -6.296 -8.614 -4.846 1.00 0.57 H new ATOM 0 HA GLU A 3 -4.444 -6.375 -4.274 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -5.829 -8.226 -2.287 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -4.575 -7.071 -1.883 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -5.999 -5.208 -2.599 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -7.236 -6.324 -3.144 1.00 0.70 H new ATOM 46 N TRP A 4 -2.700 -8.172 -3.347 1.00 0.36 N ATOM 47 CA TRP A 4 -1.524 -9.024 -3.414 1.00 0.38 C ATOM 48 C TRP A 4 -1.058 -9.381 -2.013 1.00 0.34 C ATOM 49 O TRP A 4 -1.462 -8.746 -1.037 1.00 0.34 O ATOM 50 CB TRP A 4 -0.386 -8.321 -4.160 1.00 0.45 C ATOM 51 CG TRP A 4 -0.679 -8.050 -5.606 1.00 0.57 C ATOM 52 CD1 TRP A 4 -0.566 -8.932 -6.645 1.00 1.00 C ATOM 53 CD2 TRP A 4 -1.124 -6.812 -6.174 1.00 0.51 C ATOM 54 NE1 TRP A 4 -0.919 -8.318 -7.821 1.00 1.17 N ATOM 55 CE2 TRP A 4 -1.265 -7.018 -7.561 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.418 -5.549 -5.646 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -1.691 -6.011 -8.422 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -1.839 -4.550 -6.503 1.00 0.60 C ATOM 59 CH2 TRP A 4 -1.972 -4.787 -7.879 1.00 0.65 C ATOM 0 H TRP A 4 -2.628 -7.414 -2.669 1.00 0.36 H new ATOM 0 HA TRP A 4 -1.794 -9.932 -3.953 1.00 0.38 H new ATOM 0 HB2 TRP A 4 -0.167 -7.377 -3.661 1.00 0.45 H new ATOM 0 HB3 TRP A 4 0.513 -8.934 -4.091 1.00 0.45 H new ATOM 0 HD1 TRP A 4 -0.246 -9.960 -6.554 1.00 1.00 H new ATOM 0 HE1 TRP A 4 -0.923 -8.759 -8.741 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -1.318 -5.359 -4.588 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 -1.796 -6.190 -9.482 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -2.069 -3.572 -6.107 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -2.303 -3.986 -8.524 1.00 0.65 H new ATOM 70 N THR A 5 -0.207 -10.389 -1.920 1.00 0.37 N ATOM 71 CA THR A 5 0.374 -10.770 -0.649 1.00 0.39 C ATOM 72 C THR A 5 1.681 -10.015 -0.465 1.00 0.35 C ATOM 73 O THR A 5 2.719 -10.397 -1.013 1.00 0.44 O ATOM 74 CB THR A 5 0.639 -12.288 -0.589 1.00 0.55 C ATOM 75 OG1 THR A 5 -0.505 -13.003 -1.074 1.00 1.13 O ATOM 76 CG2 THR A 5 0.950 -12.730 0.835 1.00 1.11 C ATOM 0 H THR A 5 0.095 -10.957 -2.711 1.00 0.37 H new ATOM 0 HA THR A 5 -0.326 -10.520 0.148 1.00 0.39 H new ATOM 0 HB THR A 5 1.502 -12.508 -1.218 1.00 0.55 H new ATOM 0 HG1 THR A 5 -0.329 -13.966 -1.035 1.00 1.13 H new ATOM 0 HG21 THR A 5 1.133 -13.804 0.851 1.00 1.11 H new ATOM 0 HG22 THR A 5 1.836 -12.206 1.193 1.00 1.11 H new ATOM 0 HG23 THR A 5 0.104 -12.497 1.481 1.00 1.11 H new ATOM 84 N LEU A 6 1.623 -8.930 0.289 1.00 0.30 N ATOM 85 CA LEU A 6 2.761 -8.037 0.418 1.00 0.34 C ATOM 86 C LEU A 6 3.403 -8.157 1.793 1.00 0.42 C ATOM 87 O LEU A 6 2.741 -8.490 2.779 1.00 0.75 O ATOM 88 CB LEU A 6 2.323 -6.591 0.170 1.00 0.42 C ATOM 89 CG LEU A 6 1.649 -6.339 -1.182 1.00 0.47 C ATOM 90 CD1 LEU A 6 1.231 -4.883 -1.309 1.00 0.66 C ATOM 91 CD2 LEU A 6 2.569 -6.724 -2.328 1.00 0.53 C ATOM 0 H LEU A 6 0.800 -8.647 0.821 1.00 0.30 H new ATOM 0 HA LEU A 6 3.502 -8.324 -0.328 1.00 0.34 H new ATOM 0 HB2 LEU A 6 1.635 -6.295 0.962 1.00 0.42 H new ATOM 0 HB3 LEU A 6 3.197 -5.944 0.249 1.00 0.42 H new ATOM 0 HG LEU A 6 0.757 -6.964 -1.234 1.00 0.47 H new ATOM 0 HD11 LEU A 6 0.754 -4.724 -2.276 1.00 0.66 H new ATOM 0 HD12 LEU A 6 0.529 -4.635 -0.513 1.00 0.66 H new ATOM 0 HD13 LEU A 6 2.110 -4.244 -1.229 1.00 0.66 H new ATOM 0 HD21 LEU A 6 2.067 -6.535 -3.277 1.00 0.53 H new ATOM 0 HD22 LEU A 6 3.482 -6.131 -2.277 1.00 0.53 H new ATOM 0 HD23 LEU A 6 2.819 -7.782 -2.254 1.00 0.53 H new ATOM 103 N ASP A 7 4.695 -7.878 1.850 1.00 0.38 N ATOM 104 CA ASP A 7 5.442 -7.924 3.094 1.00 0.44 C ATOM 105 C ASP A 7 6.292 -6.669 3.230 1.00 0.39 C ATOM 106 O ASP A 7 7.281 -6.495 2.521 1.00 0.46 O ATOM 107 CB ASP A 7 6.329 -9.172 3.125 1.00 0.58 C ATOM 108 CG ASP A 7 7.030 -9.368 4.457 1.00 1.30 C ATOM 109 OD1 ASP A 7 6.363 -9.773 5.433 1.00 1.67 O ATOM 110 OD2 ASP A 7 8.245 -9.089 4.536 1.00 2.12 O ATOM 0 H ASP A 7 5.253 -7.614 1.038 1.00 0.38 H new ATOM 0 HA ASP A 7 4.745 -7.970 3.930 1.00 0.44 H new ATOM 0 HB2 ASP A 7 5.720 -10.050 2.909 1.00 0.58 H new ATOM 0 HB3 ASP A 7 7.076 -9.100 2.335 1.00 0.58 H new ATOM 115 N ILE A 8 5.875 -5.769 4.107 1.00 0.35 N ATOM 116 CA ILE A 8 6.583 -4.514 4.311 1.00 0.32 C ATOM 117 C ILE A 8 7.352 -4.541 5.633 1.00 0.30 C ATOM 118 O ILE A 8 6.767 -4.741 6.699 1.00 0.35 O ATOM 119 CB ILE A 8 5.613 -3.296 4.274 1.00 0.37 C ATOM 120 CG1 ILE A 8 5.297 -2.887 2.825 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.180 -2.106 5.041 1.00 0.44 C ATOM 122 CD1 ILE A 8 4.493 -3.904 2.042 1.00 0.91 C ATOM 0 H ILE A 8 5.047 -5.885 4.691 1.00 0.35 H new ATOM 0 HA ILE A 8 7.293 -4.399 3.492 1.00 0.32 H new ATOM 0 HB ILE A 8 4.688 -3.606 4.761 1.00 0.37 H new ATOM 0 HG12 ILE A 8 4.750 -1.944 2.839 1.00 0.52 H new ATOM 0 HG13 ILE A 8 6.235 -2.704 2.301 1.00 0.52 H new ATOM 0 HG21 ILE A 8 5.477 -1.274 4.994 1.00 0.44 H new ATOM 0 HG22 ILE A 8 6.341 -2.387 6.082 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.128 -1.805 4.596 1.00 0.44 H new ATOM 0 HD11 ILE A 8 4.318 -3.531 1.033 1.00 0.91 H new ATOM 0 HD12 ILE A 8 5.045 -4.843 1.991 1.00 0.91 H new ATOM 0 HD13 ILE A 8 3.537 -4.071 2.538 1.00 0.91 H new ATOM 134 N PRO A 9 8.681 -4.374 5.561 1.00 0.26 N ATOM 135 CA PRO A 9 9.558 -4.349 6.738 1.00 0.26 C ATOM 136 C PRO A 9 9.247 -3.195 7.694 1.00 0.27 C ATOM 137 O PRO A 9 8.819 -2.120 7.272 1.00 0.32 O ATOM 138 CB PRO A 9 10.958 -4.157 6.137 1.00 0.29 C ATOM 139 CG PRO A 9 10.831 -4.606 4.725 1.00 0.35 C ATOM 140 CD PRO A 9 9.445 -4.222 4.311 1.00 0.29 C ATOM 0 HA PRO A 9 9.441 -5.254 7.335 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.273 -3.115 6.194 1.00 0.29 H new ATOM 0 HB3 PRO A 9 11.703 -4.745 6.673 1.00 0.29 H new ATOM 0 HG2 PRO A 9 11.578 -4.127 4.091 1.00 0.35 H new ATOM 0 HG3 PRO A 9 10.983 -5.682 4.639 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.404 -3.201 3.933 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.064 -4.870 3.522 1.00 0.29 H new ATOM 148 N ALA A 10 9.492 -3.427 8.979 1.00 0.30 N ATOM 149 CA ALA A 10 9.333 -2.391 10.002 1.00 0.33 C ATOM 150 C ALA A 10 10.682 -1.750 10.293 1.00 0.35 C ATOM 151 O ALA A 10 10.957 -1.297 11.406 1.00 0.43 O ATOM 152 CB ALA A 10 8.727 -2.975 11.270 1.00 0.41 C ATOM 0 H ALA A 10 9.803 -4.328 9.342 1.00 0.30 H new ATOM 0 HA ALA A 10 8.651 -1.626 9.630 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.618 -2.188 12.017 1.00 0.41 H new ATOM 0 HB2 ALA A 10 7.749 -3.399 11.044 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.380 -3.756 11.659 1.00 0.41 H new ATOM 158 N GLN A 11 11.515 -1.732 9.266 1.00 0.34 N ATOM 159 CA GLN A 11 12.842 -1.150 9.341 1.00 0.40 C ATOM 160 C GLN A 11 12.796 0.257 8.764 1.00 0.35 C ATOM 161 O GLN A 11 11.758 0.912 8.826 1.00 0.37 O ATOM 162 CB GLN A 11 13.827 -2.006 8.543 1.00 0.53 C ATOM 163 CG GLN A 11 13.796 -3.477 8.911 1.00 0.96 C ATOM 164 CD GLN A 11 14.705 -4.321 8.039 1.00 0.90 C ATOM 165 OE1 GLN A 11 15.213 -5.354 8.471 1.00 1.61 O ATOM 166 NE2 GLN A 11 14.923 -3.887 6.806 1.00 0.90 N ATOM 0 H GLN A 11 11.287 -2.123 8.352 1.00 0.34 H new ATOM 0 HA GLN A 11 13.170 -1.111 10.380 1.00 0.40 H new ATOM 0 HB2 GLN A 11 13.607 -1.902 7.481 1.00 0.53 H new ATOM 0 HB3 GLN A 11 14.836 -1.623 8.698 1.00 0.53 H new ATOM 0 HG2 GLN A 11 14.091 -3.592 9.954 1.00 0.96 H new ATOM 0 HG3 GLN A 11 12.774 -3.846 8.827 1.00 0.96 H new ATOM 0 HE21 GLN A 11 14.483 -3.025 6.484 1.00 0.90 H new ATOM 0 HE22 GLN A 11 15.530 -4.415 6.179 1.00 0.90 H new ATOM 175 N SER A 12 13.907 0.719 8.209 1.00 0.38 N ATOM 176 CA SER A 12 13.924 1.993 7.509 1.00 0.40 C ATOM 177 C SER A 12 12.885 1.978 6.387 1.00 0.36 C ATOM 178 O SER A 12 12.713 0.968 5.696 1.00 0.34 O ATOM 179 CB SER A 12 15.319 2.268 6.933 1.00 0.50 C ATOM 180 OG SER A 12 15.359 3.505 6.238 1.00 1.30 O ATOM 0 H SER A 12 14.804 0.233 8.230 1.00 0.38 H new ATOM 0 HA SER A 12 13.679 2.787 8.214 1.00 0.40 H new ATOM 0 HB2 SER A 12 16.052 2.279 7.740 1.00 0.50 H new ATOM 0 HB3 SER A 12 15.601 1.460 6.257 1.00 0.50 H new ATOM 0 HG SER A 12 16.261 3.653 5.884 1.00 1.30 H new ATOM 186 N MET A 13 12.175 3.099 6.238 1.00 0.42 N ATOM 187 CA MET A 13 11.198 3.283 5.162 1.00 0.46 C ATOM 188 C MET A 13 11.822 2.960 3.803 1.00 0.42 C ATOM 189 O MET A 13 11.130 2.583 2.854 1.00 0.45 O ATOM 190 CB MET A 13 10.676 4.728 5.173 1.00 0.61 C ATOM 191 CG MET A 13 9.612 5.018 4.126 1.00 0.68 C ATOM 192 SD MET A 13 8.043 4.200 4.472 1.00 1.29 S ATOM 193 CE MET A 13 7.542 5.040 5.974 1.00 1.00 C ATOM 0 H MET A 13 12.261 3.904 6.859 1.00 0.42 H new ATOM 0 HA MET A 13 10.366 2.599 5.328 1.00 0.46 H new ATOM 0 HB2 MET A 13 10.267 4.947 6.160 1.00 0.61 H new ATOM 0 HB3 MET A 13 11.515 5.406 5.018 1.00 0.61 H new ATOM 0 HG2 MET A 13 9.450 6.094 4.069 1.00 0.68 H new ATOM 0 HG3 MET A 13 9.975 4.698 3.149 1.00 0.68 H new ATOM 0 HE1 MET A 13 6.502 4.801 6.195 1.00 1.00 H new ATOM 0 HE2 MET A 13 8.173 4.714 6.801 1.00 1.00 H new ATOM 0 HE3 MET A 13 7.647 6.117 5.841 1.00 1.00 H new ATOM 203 N ASN A 14 13.142 3.116 3.732 1.00 0.41 N ATOM 204 CA ASN A 14 13.916 2.770 2.541 1.00 0.45 C ATOM 205 C ASN A 14 13.675 1.313 2.137 1.00 0.41 C ATOM 206 O ASN A 14 13.513 1.007 0.952 1.00 0.47 O ATOM 207 CB ASN A 14 15.406 3.017 2.815 1.00 0.52 C ATOM 208 CG ASN A 14 16.312 2.618 1.663 1.00 1.32 C ATOM 209 OD1 ASN A 14 15.921 2.666 0.498 1.00 2.26 O ATOM 210 ND2 ASN A 14 17.537 2.233 1.985 1.00 1.85 N ATOM 0 H ASN A 14 13.705 3.486 4.498 1.00 0.41 H new ATOM 0 HA ASN A 14 13.593 3.400 1.712 1.00 0.45 H new ATOM 0 HB2 ASN A 14 15.556 4.074 3.034 1.00 0.52 H new ATOM 0 HB3 ASN A 14 15.700 2.462 3.706 1.00 0.52 H new ATOM 0 HD21 ASN A 14 18.195 1.962 1.254 1.00 1.85 H new ATOM 0 HD22 ASN A 14 17.823 2.207 2.964 1.00 1.85 H new ATOM 217 N SER A 15 13.607 0.427 3.129 1.00 0.36 N ATOM 218 CA SER A 15 13.422 -0.996 2.879 1.00 0.36 C ATOM 219 C SER A 15 11.983 -1.281 2.460 1.00 0.32 C ATOM 220 O SER A 15 11.735 -2.053 1.538 1.00 0.32 O ATOM 221 CB SER A 15 13.761 -1.800 4.139 1.00 0.38 C ATOM 222 OG SER A 15 15.018 -1.416 4.674 1.00 1.20 O ATOM 0 H SER A 15 13.678 0.674 4.116 1.00 0.36 H new ATOM 0 HA SER A 15 14.090 -1.294 2.071 1.00 0.36 H new ATOM 0 HB2 SER A 15 12.984 -1.650 4.888 1.00 0.38 H new ATOM 0 HB3 SER A 15 13.774 -2.864 3.901 1.00 0.38 H new ATOM 0 HG SER A 15 15.562 -2.215 4.837 1.00 1.20 H new ATOM 228 N ALA A 16 11.042 -0.636 3.143 1.00 0.31 N ATOM 229 CA ALA A 16 9.620 -0.829 2.876 1.00 0.32 C ATOM 230 C ALA A 16 9.258 -0.460 1.441 1.00 0.30 C ATOM 231 O ALA A 16 8.574 -1.217 0.749 1.00 0.29 O ATOM 232 CB ALA A 16 8.793 -0.010 3.850 1.00 0.38 C ATOM 0 H ALA A 16 11.240 0.029 3.890 1.00 0.31 H new ATOM 0 HA ALA A 16 9.398 -1.888 3.011 1.00 0.32 H new ATOM 0 HB1 ALA A 16 7.733 -0.160 3.643 1.00 0.38 H new ATOM 0 HB2 ALA A 16 9.012 -0.327 4.870 1.00 0.38 H new ATOM 0 HB3 ALA A 16 9.039 1.046 3.737 1.00 0.38 H new ATOM 238 N LEU A 17 9.726 0.697 0.993 1.00 0.31 N ATOM 239 CA LEU A 17 9.432 1.170 -0.352 1.00 0.33 C ATOM 240 C LEU A 17 10.101 0.285 -1.398 1.00 0.32 C ATOM 241 O LEU A 17 9.499 -0.042 -2.419 1.00 0.35 O ATOM 242 CB LEU A 17 9.880 2.624 -0.506 1.00 0.38 C ATOM 243 CG LEU A 17 9.184 3.610 0.435 1.00 0.46 C ATOM 244 CD1 LEU A 17 9.746 5.008 0.261 1.00 0.92 C ATOM 245 CD2 LEU A 17 7.680 3.603 0.201 1.00 0.73 C ATOM 0 H LEU A 17 10.312 1.326 1.543 1.00 0.31 H new ATOM 0 HA LEU A 17 8.355 1.118 -0.510 1.00 0.33 H new ATOM 0 HB2 LEU A 17 10.955 2.679 -0.337 1.00 0.38 H new ATOM 0 HB3 LEU A 17 9.703 2.938 -1.535 1.00 0.38 H new ATOM 0 HG LEU A 17 9.373 3.293 1.461 1.00 0.46 H new ATOM 0 HD11 LEU A 17 9.237 5.692 0.940 1.00 0.92 H new ATOM 0 HD12 LEU A 17 10.813 5.002 0.485 1.00 0.92 H new ATOM 0 HD13 LEU A 17 9.593 5.336 -0.767 1.00 0.92 H new ATOM 0 HD21 LEU A 17 7.203 4.310 0.879 1.00 0.73 H new ATOM 0 HD22 LEU A 17 7.471 3.891 -0.829 1.00 0.73 H new ATOM 0 HD23 LEU A 17 7.288 2.603 0.385 1.00 0.73 H new ATOM 257 N GLN A 18 11.340 -0.112 -1.129 1.00 0.34 N ATOM 258 CA GLN A 18 12.073 -0.996 -2.031 1.00 0.39 C ATOM 259 C GLN A 18 11.375 -2.350 -2.134 1.00 0.33 C ATOM 260 O GLN A 18 11.304 -2.946 -3.212 1.00 0.34 O ATOM 261 CB GLN A 18 13.508 -1.193 -1.538 1.00 0.49 C ATOM 262 CG GLN A 18 14.381 -1.976 -2.505 1.00 1.07 C ATOM 263 CD GLN A 18 15.759 -2.270 -1.947 1.00 1.51 C ATOM 264 OE1 GLN A 18 15.933 -2.437 -0.741 1.00 2.06 O ATOM 265 NE2 GLN A 18 16.748 -2.328 -2.821 1.00 2.19 N ATOM 0 H GLN A 18 11.858 0.163 -0.295 1.00 0.34 H new ATOM 0 HA GLN A 18 12.097 -0.532 -3.017 1.00 0.39 H new ATOM 0 HB2 GLN A 18 13.960 -0.217 -1.362 1.00 0.49 H new ATOM 0 HB3 GLN A 18 13.486 -1.712 -0.580 1.00 0.49 H new ATOM 0 HG2 GLN A 18 13.887 -2.915 -2.754 1.00 1.07 H new ATOM 0 HG3 GLN A 18 14.482 -1.413 -3.433 1.00 1.07 H new ATOM 0 HE21 GLN A 18 16.561 -2.184 -3.813 1.00 2.19 H new ATOM 0 HE22 GLN A 18 17.699 -2.517 -2.504 1.00 2.19 H new ATOM 274 N ALA A 19 10.858 -2.825 -1.006 1.00 0.29 N ATOM 275 CA ALA A 19 10.134 -4.088 -0.963 1.00 0.28 C ATOM 276 C ALA A 19 8.847 -4.008 -1.774 1.00 0.26 C ATOM 277 O ALA A 19 8.516 -4.924 -2.526 1.00 0.28 O ATOM 278 CB ALA A 19 9.823 -4.474 0.476 1.00 0.31 C ATOM 0 H ALA A 19 10.928 -2.351 -0.106 1.00 0.29 H new ATOM 0 HA ALA A 19 10.770 -4.855 -1.405 1.00 0.28 H new ATOM 0 HB1 ALA A 19 9.282 -5.420 0.490 1.00 0.31 H new ATOM 0 HB2 ALA A 19 10.754 -4.580 1.034 1.00 0.31 H new ATOM 0 HB3 ALA A 19 9.211 -3.699 0.936 1.00 0.31 H new ATOM 284 N LEU A 20 8.135 -2.895 -1.638 1.00 0.27 N ATOM 285 CA LEU A 20 6.871 -2.705 -2.335 1.00 0.32 C ATOM 286 C LEU A 20 7.108 -2.625 -3.838 1.00 0.33 C ATOM 287 O LEU A 20 6.303 -3.114 -4.637 1.00 0.36 O ATOM 288 CB LEU A 20 6.177 -1.433 -1.839 1.00 0.38 C ATOM 289 CG LEU A 20 4.801 -1.158 -2.447 1.00 0.58 C ATOM 290 CD1 LEU A 20 3.830 -2.275 -2.107 1.00 1.03 C ATOM 291 CD2 LEU A 20 4.263 0.176 -1.958 1.00 0.95 C ATOM 0 H LEU A 20 8.414 -2.110 -1.050 1.00 0.27 H new ATOM 0 HA LEU A 20 6.225 -3.558 -2.127 1.00 0.32 H new ATOM 0 HB2 LEU A 20 6.071 -1.496 -0.756 1.00 0.38 H new ATOM 0 HB3 LEU A 20 6.824 -0.581 -2.047 1.00 0.38 H new ATOM 0 HG LEU A 20 4.909 -1.115 -3.531 1.00 0.58 H new ATOM 0 HD11 LEU A 20 2.858 -2.059 -2.549 1.00 1.03 H new ATOM 0 HD12 LEU A 20 4.207 -3.218 -2.503 1.00 1.03 H new ATOM 0 HD13 LEU A 20 3.727 -2.351 -1.025 1.00 1.03 H new ATOM 0 HD21 LEU A 20 3.283 0.357 -2.400 1.00 0.95 H new ATOM 0 HD22 LEU A 20 4.173 0.156 -0.872 1.00 0.95 H new ATOM 0 HD23 LEU A 20 4.946 0.973 -2.251 1.00 0.95 H new ATOM 303 N ALA A 21 8.241 -2.030 -4.198 1.00 0.33 N ATOM 304 CA ALA A 21 8.603 -1.814 -5.592 1.00 0.39 C ATOM 305 C ALA A 21 8.722 -3.142 -6.326 1.00 0.38 C ATOM 306 O ALA A 21 8.087 -3.357 -7.354 1.00 0.44 O ATOM 307 CB ALA A 21 9.910 -1.039 -5.683 1.00 0.44 C ATOM 0 H ALA A 21 8.932 -1.685 -3.532 1.00 0.33 H new ATOM 0 HA ALA A 21 7.816 -1.229 -6.067 1.00 0.39 H new ATOM 0 HB1 ALA A 21 10.169 -0.884 -6.730 1.00 0.44 H new ATOM 0 HB2 ALA A 21 9.795 -0.073 -5.191 1.00 0.44 H new ATOM 0 HB3 ALA A 21 10.703 -1.604 -5.193 1.00 0.44 H new ATOM 313 N LYS A 22 9.540 -4.031 -5.777 1.00 0.36 N ATOM 314 CA LYS A 22 9.763 -5.344 -6.373 1.00 0.42 C ATOM 315 C LYS A 22 8.476 -6.169 -6.375 1.00 0.37 C ATOM 316 O LYS A 22 8.143 -6.818 -7.367 1.00 0.47 O ATOM 317 CB LYS A 22 10.870 -6.085 -5.612 1.00 0.53 C ATOM 318 CG LYS A 22 11.281 -7.407 -6.249 1.00 1.22 C ATOM 319 CD LYS A 22 11.886 -7.208 -7.634 1.00 1.84 C ATOM 320 CE LYS A 22 13.146 -6.357 -7.584 1.00 2.65 C ATOM 321 NZ LYS A 22 13.731 -6.160 -8.937 1.00 3.41 N ATOM 0 H LYS A 22 10.062 -3.866 -4.916 1.00 0.36 H new ATOM 0 HA LYS A 22 10.076 -5.203 -7.408 1.00 0.42 H new ATOM 0 HB2 LYS A 22 11.745 -5.439 -5.544 1.00 0.53 H new ATOM 0 HB3 LYS A 22 10.533 -6.274 -4.593 1.00 0.53 H new ATOM 0 HG2 LYS A 22 12.003 -7.910 -5.606 1.00 1.22 H new ATOM 0 HG3 LYS A 22 10.411 -8.060 -6.323 1.00 1.22 H new ATOM 0 HD2 LYS A 22 12.120 -8.179 -8.071 1.00 1.84 H new ATOM 0 HD3 LYS A 22 11.153 -6.733 -8.286 1.00 1.84 H new ATOM 0 HE2 LYS A 22 12.913 -5.388 -7.144 1.00 2.65 H new ATOM 0 HE3 LYS A 22 13.881 -6.833 -6.935 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 14.588 -5.575 -8.863 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 13.976 -7.084 -9.347 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 13.038 -5.683 -9.549 1.00 3.41 H new ATOM 335 N GLN A 23 7.742 -6.118 -5.268 1.00 0.33 N ATOM 336 CA GLN A 23 6.540 -6.934 -5.093 1.00 0.39 C ATOM 337 C GLN A 23 5.445 -6.608 -6.111 1.00 0.40 C ATOM 338 O GLN A 23 4.719 -7.498 -6.546 1.00 0.49 O ATOM 339 CB GLN A 23 5.992 -6.773 -3.678 1.00 0.52 C ATOM 340 CG GLN A 23 6.787 -7.524 -2.623 1.00 0.76 C ATOM 341 CD GLN A 23 6.348 -7.187 -1.212 1.00 0.78 C ATOM 342 OE1 GLN A 23 6.403 -8.024 -0.315 1.00 1.52 O ATOM 343 NE2 GLN A 23 5.928 -5.948 -1.001 1.00 1.29 N ATOM 0 H GLN A 23 7.958 -5.517 -4.473 1.00 0.33 H new ATOM 0 HA GLN A 23 6.839 -7.969 -5.261 1.00 0.39 H new ATOM 0 HB2 GLN A 23 5.977 -5.713 -3.423 1.00 0.52 H new ATOM 0 HB3 GLN A 23 4.959 -7.120 -3.657 1.00 0.52 H new ATOM 0 HG2 GLN A 23 6.679 -8.596 -2.787 1.00 0.76 H new ATOM 0 HG3 GLN A 23 7.845 -7.290 -2.736 1.00 0.76 H new ATOM 0 HE21 GLN A 23 5.897 -5.282 -1.773 1.00 1.29 H new ATOM 0 HE22 GLN A 23 5.636 -5.661 -0.067 1.00 1.29 H new ATOM 352 N THR A 24 5.330 -5.348 -6.503 1.00 0.38 N ATOM 353 CA THR A 24 4.247 -4.938 -7.387 1.00 0.47 C ATOM 354 C THR A 24 4.766 -4.509 -8.755 1.00 0.48 C ATOM 355 O THR A 24 3.994 -4.099 -9.624 1.00 0.76 O ATOM 356 CB THR A 24 3.423 -3.789 -6.768 1.00 0.54 C ATOM 357 OG1 THR A 24 4.289 -2.715 -6.379 1.00 0.62 O ATOM 358 CG2 THR A 24 2.638 -4.265 -5.558 1.00 0.62 C ATOM 0 H THR A 24 5.965 -4.599 -6.227 1.00 0.38 H new ATOM 0 HA THR A 24 3.604 -5.809 -7.516 1.00 0.47 H new ATOM 0 HB THR A 24 2.719 -3.439 -7.524 1.00 0.54 H new ATOM 0 HG1 THR A 24 4.851 -3.003 -5.629 1.00 0.62 H new ATOM 0 HG21 THR A 24 2.068 -3.433 -5.144 1.00 0.62 H new ATOM 0 HG22 THR A 24 1.955 -5.060 -5.857 1.00 0.62 H new ATOM 0 HG23 THR A 24 3.327 -4.644 -4.803 1.00 0.62 H new ATOM 366 N ASP A 25 6.079 -4.639 -8.933 1.00 0.41 N ATOM 367 CA ASP A 25 6.765 -4.213 -10.153 1.00 0.49 C ATOM 368 C ASP A 25 6.499 -2.733 -10.419 1.00 0.49 C ATOM 369 O ASP A 25 6.110 -2.333 -11.517 1.00 0.72 O ATOM 370 CB ASP A 25 6.341 -5.065 -11.357 1.00 0.68 C ATOM 371 CG ASP A 25 7.345 -4.999 -12.495 1.00 1.29 C ATOM 372 OD1 ASP A 25 7.259 -4.064 -13.311 1.00 2.11 O ATOM 373 OD2 ASP A 25 8.234 -5.877 -12.571 1.00 1.57 O ATOM 0 H ASP A 25 6.700 -5.044 -8.233 1.00 0.41 H new ATOM 0 HA ASP A 25 7.836 -4.356 -10.008 1.00 0.49 H new ATOM 0 HB2 ASP A 25 6.221 -6.101 -11.041 1.00 0.68 H new ATOM 0 HB3 ASP A 25 5.368 -4.726 -11.714 1.00 0.68 H new ATOM 378 N THR A 26 6.686 -1.932 -9.389 1.00 0.34 N ATOM 379 CA THR A 26 6.500 -0.496 -9.484 1.00 0.40 C ATOM 380 C THR A 26 7.832 0.215 -9.303 1.00 0.38 C ATOM 381 O THR A 26 8.787 -0.365 -8.784 1.00 0.40 O ATOM 382 CB THR A 26 5.502 0.004 -8.424 1.00 0.46 C ATOM 383 OG1 THR A 26 5.806 -0.578 -7.148 1.00 0.76 O ATOM 384 CG2 THR A 26 4.075 -0.343 -8.818 1.00 0.72 C ATOM 0 H THR A 26 6.970 -2.256 -8.465 1.00 0.34 H new ATOM 0 HA THR A 26 6.097 -0.273 -10.472 1.00 0.40 H new ATOM 0 HB THR A 26 5.591 1.088 -8.358 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.268 -1.387 -7.021 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.388 0.020 -8.054 1.00 0.72 H new ATOM 0 HG22 THR A 26 3.837 0.126 -9.773 1.00 0.72 H new ATOM 0 HG23 THR A 26 3.976 -1.425 -8.910 1.00 0.72 H new ATOM 392 N GLN A 27 7.902 1.459 -9.746 1.00 0.41 N ATOM 393 CA GLN A 27 9.112 2.243 -9.592 1.00 0.44 C ATOM 394 C GLN A 27 8.940 3.225 -8.443 1.00 0.46 C ATOM 395 O GLN A 27 8.020 4.037 -8.443 1.00 0.47 O ATOM 396 CB GLN A 27 9.450 2.986 -10.889 1.00 0.50 C ATOM 397 CG GLN A 27 10.786 3.710 -10.832 1.00 1.05 C ATOM 398 CD GLN A 27 11.215 4.283 -12.169 1.00 1.67 C ATOM 399 OE1 GLN A 27 12.408 4.372 -12.456 1.00 2.39 O ATOM 400 NE2 GLN A 27 10.259 4.695 -12.986 1.00 2.31 N ATOM 0 H GLN A 27 7.137 1.945 -10.214 1.00 0.41 H new ATOM 0 HA GLN A 27 9.940 1.571 -9.367 1.00 0.44 H new ATOM 0 HB2 GLN A 27 9.464 2.275 -11.715 1.00 0.50 H new ATOM 0 HB3 GLN A 27 8.662 3.708 -11.103 1.00 0.50 H new ATOM 0 HG2 GLN A 27 10.723 4.517 -10.102 1.00 1.05 H new ATOM 0 HG3 GLN A 27 11.551 3.019 -10.478 1.00 1.05 H new ATOM 0 HE21 GLN A 27 9.280 4.604 -12.713 1.00 2.31 H new ATOM 0 HE22 GLN A 27 10.501 5.103 -13.889 1.00 2.31 H new ATOM 409 N LEU A 28 9.823 3.146 -7.464 1.00 0.51 N ATOM 410 CA LEU A 28 9.730 3.998 -6.291 1.00 0.55 C ATOM 411 C LEU A 28 10.725 5.143 -6.390 1.00 0.58 C ATOM 412 O LEU A 28 11.926 4.921 -6.543 1.00 0.71 O ATOM 413 CB LEU A 28 9.973 3.187 -5.012 1.00 0.69 C ATOM 414 CG LEU A 28 8.721 2.811 -4.217 1.00 0.78 C ATOM 415 CD1 LEU A 28 7.955 4.059 -3.797 1.00 1.51 C ATOM 416 CD2 LEU A 28 7.832 1.882 -5.025 1.00 1.30 C ATOM 0 H LEU A 28 10.613 2.501 -7.457 1.00 0.51 H new ATOM 0 HA LEU A 28 8.723 4.414 -6.247 1.00 0.55 H new ATOM 0 HB2 LEU A 28 10.500 2.271 -5.279 1.00 0.69 H new ATOM 0 HB3 LEU A 28 10.636 3.758 -4.362 1.00 0.69 H new ATOM 0 HG LEU A 28 9.035 2.284 -3.316 1.00 0.78 H new ATOM 0 HD11 LEU A 28 7.068 3.769 -3.233 1.00 1.51 H new ATOM 0 HD12 LEU A 28 8.593 4.685 -3.173 1.00 1.51 H new ATOM 0 HD13 LEU A 28 7.654 4.617 -4.684 1.00 1.51 H new ATOM 0 HD21 LEU A 28 6.947 1.627 -4.442 1.00 1.30 H new ATOM 0 HD22 LEU A 28 7.528 2.379 -5.946 1.00 1.30 H new ATOM 0 HD23 LEU A 28 8.382 0.972 -5.268 1.00 1.30 H new ATOM 428 N LEU A 29 10.217 6.358 -6.316 1.00 0.53 N ATOM 429 CA LEU A 29 11.043 7.547 -6.391 1.00 0.60 C ATOM 430 C LEU A 29 11.137 8.171 -5.005 1.00 0.63 C ATOM 431 O LEU A 29 10.220 8.863 -4.557 1.00 0.66 O ATOM 432 CB LEU A 29 10.436 8.542 -7.392 1.00 0.65 C ATOM 433 CG LEU A 29 11.431 9.446 -8.131 1.00 1.17 C ATOM 434 CD1 LEU A 29 12.178 10.354 -7.168 1.00 1.90 C ATOM 435 CD2 LEU A 29 12.406 8.605 -8.942 1.00 2.03 C ATOM 0 H LEU A 29 9.221 6.548 -6.202 1.00 0.53 H new ATOM 0 HA LEU A 29 12.043 7.284 -6.735 1.00 0.60 H new ATOM 0 HB2 LEU A 29 9.867 7.980 -8.133 1.00 0.65 H new ATOM 0 HB3 LEU A 29 9.727 9.176 -6.859 1.00 0.65 H new ATOM 0 HG LEU A 29 10.866 10.082 -8.812 1.00 1.17 H new ATOM 0 HD11 LEU A 29 12.874 10.981 -7.725 1.00 1.90 H new ATOM 0 HD12 LEU A 29 11.466 10.986 -6.637 1.00 1.90 H new ATOM 0 HD13 LEU A 29 12.730 9.747 -6.450 1.00 1.90 H new ATOM 0 HD21 LEU A 29 13.106 9.259 -9.461 1.00 2.03 H new ATOM 0 HD22 LEU A 29 12.956 7.941 -8.275 1.00 2.03 H new ATOM 0 HD23 LEU A 29 11.855 8.011 -9.671 1.00 2.03 H new ATOM 447 N TYR A 30 12.243 7.914 -4.330 1.00 0.65 N ATOM 448 CA TYR A 30 12.427 8.368 -2.961 1.00 0.72 C ATOM 449 C TYR A 30 13.906 8.457 -2.634 1.00 0.77 C ATOM 450 O TYR A 30 14.737 7.852 -3.309 1.00 0.82 O ATOM 451 CB TYR A 30 11.742 7.413 -1.976 1.00 0.72 C ATOM 452 CG TYR A 30 12.378 6.038 -1.912 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.092 5.073 -2.870 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.263 5.707 -0.892 1.00 0.80 C ATOM 455 CE1 TYR A 30 12.672 3.821 -2.816 1.00 0.71 C ATOM 456 CE2 TYR A 30 13.844 4.455 -0.834 1.00 0.88 C ATOM 457 CZ TYR A 30 13.548 3.516 -1.797 1.00 0.83 C ATOM 458 OH TYR A 30 14.131 2.267 -1.743 1.00 0.96 O ATOM 0 H TYR A 30 13.032 7.390 -4.709 1.00 0.65 H new ATOM 0 HA TYR A 30 11.975 9.355 -2.867 1.00 0.72 H new ATOM 0 HB2 TYR A 30 11.760 7.858 -0.981 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.695 7.306 -2.258 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.405 5.306 -3.670 1.00 0.65 H new ATOM 0 HD2 TYR A 30 13.500 6.439 -0.134 1.00 0.80 H new ATOM 0 HE1 TYR A 30 12.440 3.083 -3.570 1.00 0.71 H new ATOM 0 HE2 TYR A 30 14.529 4.213 -0.035 1.00 0.88 H new ATOM 0 HH TYR A 30 14.771 2.237 -1.002 1.00 0.96 H new ATOM 468 N SER A 31 14.232 9.209 -1.604 1.00 0.85 N ATOM 469 CA SER A 31 15.596 9.300 -1.133 1.00 0.97 C ATOM 470 C SER A 31 15.611 9.226 0.389 1.00 0.88 C ATOM 471 O SER A 31 14.709 9.745 1.050 1.00 0.85 O ATOM 472 CB SER A 31 16.224 10.613 -1.613 1.00 1.20 C ATOM 473 OG SER A 31 15.487 11.729 -1.147 1.00 1.78 O ATOM 0 H SER A 31 13.565 9.770 -1.074 1.00 0.85 H new ATOM 0 HA SER A 31 16.179 8.471 -1.533 1.00 0.97 H new ATOM 0 HB2 SER A 31 17.253 10.679 -1.259 1.00 1.20 H new ATOM 0 HB3 SER A 31 16.260 10.626 -2.702 1.00 1.20 H new ATOM 0 HG SER A 31 15.908 12.555 -1.465 1.00 1.78 H new ATOM 479 N PRO A 32 16.621 8.550 0.966 1.00 0.96 N ATOM 480 CA PRO A 32 16.826 8.517 2.416 1.00 0.99 C ATOM 481 C PRO A 32 16.996 9.925 2.979 1.00 1.01 C ATOM 482 O PRO A 32 16.821 10.157 4.172 1.00 1.05 O ATOM 483 CB PRO A 32 18.114 7.701 2.593 1.00 1.23 C ATOM 484 CG PRO A 32 18.752 7.675 1.247 1.00 1.37 C ATOM 485 CD PRO A 32 17.629 7.749 0.254 1.00 1.12 C ATOM 0 HA PRO A 32 15.977 8.084 2.945 1.00 0.99 H new ATOM 0 HB2 PRO A 32 18.772 8.160 3.331 1.00 1.23 H new ATOM 0 HB3 PRO A 32 17.895 6.692 2.944 1.00 1.23 H new ATOM 0 HG2 PRO A 32 19.437 8.514 1.124 1.00 1.37 H new ATOM 0 HG3 PRO A 32 19.335 6.764 1.109 1.00 1.37 H new ATOM 0 HD2 PRO A 32 17.941 8.224 -0.676 1.00 1.12 H new ATOM 0 HD3 PRO A 32 17.251 6.760 -0.005 1.00 1.12 H new ATOM 493 N GLU A 33 17.348 10.853 2.098 1.00 1.09 N ATOM 494 CA GLU A 33 17.442 12.263 2.439 1.00 1.26 C ATOM 495 C GLU A 33 16.063 12.832 2.767 1.00 1.23 C ATOM 496 O GLU A 33 15.871 13.473 3.801 1.00 1.39 O ATOM 497 CB GLU A 33 18.046 13.037 1.263 1.00 1.48 C ATOM 498 CG GLU A 33 18.064 14.544 1.453 1.00 1.99 C ATOM 499 CD GLU A 33 19.066 14.990 2.494 1.00 2.43 C ATOM 500 OE1 GLU A 33 18.881 14.683 3.687 1.00 2.96 O ATOM 501 OE2 GLU A 33 20.053 15.653 2.118 1.00 2.83 O ATOM 0 H GLU A 33 17.576 10.647 1.126 1.00 1.09 H new ATOM 0 HA GLU A 33 18.081 12.366 3.316 1.00 1.26 H new ATOM 0 HB2 GLU A 33 19.067 12.690 1.100 1.00 1.48 H new ATOM 0 HB3 GLU A 33 17.482 12.803 0.360 1.00 1.48 H new ATOM 0 HG2 GLU A 33 18.297 15.023 0.502 1.00 1.99 H new ATOM 0 HG3 GLU A 33 17.069 14.881 1.744 1.00 1.99 H new ATOM 508 N ASP A 34 15.102 12.567 1.890 1.00 1.12 N ATOM 509 CA ASP A 34 13.777 13.167 1.999 1.00 1.23 C ATOM 510 C ASP A 34 12.986 12.535 3.135 1.00 1.17 C ATOM 511 O ASP A 34 12.218 13.209 3.825 1.00 1.38 O ATOM 512 CB ASP A 34 13.014 13.018 0.677 1.00 1.33 C ATOM 513 CG ASP A 34 11.755 13.860 0.631 1.00 1.71 C ATOM 514 OD1 ASP A 34 10.690 13.359 1.060 1.00 2.14 O ATOM 515 OD2 ASP A 34 11.818 15.017 0.178 1.00 2.22 O ATOM 0 H ASP A 34 15.216 11.939 1.094 1.00 1.12 H new ATOM 0 HA ASP A 34 13.902 14.228 2.217 1.00 1.23 H new ATOM 0 HB2 ASP A 34 13.667 13.302 -0.149 1.00 1.33 H new ATOM 0 HB3 ASP A 34 12.751 11.970 0.530 1.00 1.33 H new ATOM 520 N ILE A 35 13.212 11.250 3.368 1.00 0.97 N ATOM 521 CA ILE A 35 12.447 10.522 4.371 1.00 0.97 C ATOM 522 C ILE A 35 13.169 10.490 5.714 1.00 1.02 C ATOM 523 O ILE A 35 12.648 9.960 6.690 1.00 1.09 O ATOM 524 CB ILE A 35 12.165 9.072 3.917 1.00 0.88 C ATOM 525 CG1 ILE A 35 13.478 8.336 3.632 1.00 0.78 C ATOM 526 CG2 ILE A 35 11.268 9.068 2.687 1.00 0.95 C ATOM 527 CD1 ILE A 35 13.298 6.891 3.213 1.00 0.82 C ATOM 0 H ILE A 35 13.914 10.693 2.880 1.00 0.97 H new ATOM 0 HA ILE A 35 11.503 11.054 4.489 1.00 0.97 H new ATOM 0 HB ILE A 35 11.648 8.549 4.721 1.00 0.88 H new ATOM 0 HG12 ILE A 35 14.017 8.867 2.847 1.00 0.78 H new ATOM 0 HG13 ILE A 35 14.102 8.369 4.525 1.00 0.78 H new ATOM 0 HG21 ILE A 35 11.078 8.040 2.379 1.00 0.95 H new ATOM 0 HG22 ILE A 35 10.323 9.556 2.924 1.00 0.95 H new ATOM 0 HG23 ILE A 35 11.760 9.605 1.876 1.00 0.95 H new ATOM 0 HD11 ILE A 35 14.274 6.441 3.030 1.00 0.82 H new ATOM 0 HD12 ILE A 35 12.789 6.343 4.006 1.00 0.82 H new ATOM 0 HD13 ILE A 35 12.702 6.848 2.301 1.00 0.82 H new ATOM 539 N GLY A 36 14.377 11.048 5.750 1.00 1.08 N ATOM 540 CA GLY A 36 15.127 11.156 6.993 1.00 1.25 C ATOM 541 C GLY A 36 15.536 9.814 7.578 1.00 1.17 C ATOM 542 O GLY A 36 16.032 9.752 8.703 1.00 1.40 O ATOM 0 H GLY A 36 14.854 11.431 4.934 1.00 1.08 H new ATOM 0 HA2 GLY A 36 16.022 11.753 6.817 1.00 1.25 H new ATOM 0 HA3 GLY A 36 14.524 11.693 7.725 1.00 1.25 H new ATOM 546 N GLY A 37 15.331 8.746 6.814 1.00 0.97 N ATOM 547 CA GLY A 37 15.675 7.414 7.276 1.00 0.96 C ATOM 548 C GLY A 37 14.873 6.990 8.494 1.00 0.88 C ATOM 549 O GLY A 37 15.420 6.426 9.440 1.00 1.05 O ATOM 0 H GLY A 37 14.930 8.780 5.877 1.00 0.97 H new ATOM 0 HA2 GLY A 37 15.508 6.700 6.470 1.00 0.96 H new ATOM 0 HA3 GLY A 37 16.738 7.381 7.516 1.00 0.96 H new ATOM 553 N LEU A 38 13.575 7.267 8.473 1.00 0.77 N ATOM 554 CA LEU A 38 12.701 6.881 9.574 1.00 0.83 C ATOM 555 C LEU A 38 12.176 5.467 9.353 1.00 0.66 C ATOM 556 O LEU A 38 12.192 4.964 8.227 1.00 0.67 O ATOM 557 CB LEU A 38 11.548 7.888 9.736 1.00 1.06 C ATOM 558 CG LEU A 38 10.720 8.206 8.479 1.00 1.05 C ATOM 559 CD1 LEU A 38 9.724 7.096 8.172 1.00 1.72 C ATOM 560 CD2 LEU A 38 9.997 9.533 8.649 1.00 1.20 C ATOM 0 H LEU A 38 13.106 7.755 7.710 1.00 0.77 H new ATOM 0 HA LEU A 38 13.276 6.891 10.500 1.00 0.83 H new ATOM 0 HB2 LEU A 38 10.871 7.508 10.501 1.00 1.06 H new ATOM 0 HB3 LEU A 38 11.964 8.822 10.114 1.00 1.06 H new ATOM 0 HG LEU A 38 11.406 8.279 7.635 1.00 1.05 H new ATOM 0 HD11 LEU A 38 9.156 7.354 7.278 1.00 1.72 H new ATOM 0 HD12 LEU A 38 10.260 6.162 8.005 1.00 1.72 H new ATOM 0 HD13 LEU A 38 9.041 6.977 9.013 1.00 1.72 H new ATOM 0 HD21 LEU A 38 9.414 9.747 7.753 1.00 1.20 H new ATOM 0 HD22 LEU A 38 9.331 9.477 9.510 1.00 1.20 H new ATOM 0 HD23 LEU A 38 10.727 10.327 8.806 1.00 1.20 H new ATOM 572 N ARG A 39 11.727 4.824 10.426 1.00 0.68 N ATOM 573 CA ARG A 39 11.222 3.459 10.335 1.00 0.59 C ATOM 574 C ARG A 39 9.774 3.437 9.874 1.00 0.52 C ATOM 575 O ARG A 39 8.970 4.291 10.254 1.00 0.62 O ATOM 576 CB ARG A 39 11.350 2.728 11.676 1.00 0.66 C ATOM 577 CG ARG A 39 10.669 3.431 12.838 1.00 0.76 C ATOM 578 CD ARG A 39 10.968 2.737 14.156 1.00 1.12 C ATOM 579 NE ARG A 39 12.390 2.799 14.493 1.00 2.00 N ATOM 580 CZ ARG A 39 13.059 1.817 15.094 1.00 2.70 C ATOM 581 NH1 ARG A 39 12.461 0.663 15.364 1.00 2.71 N ATOM 582 NH2 ARG A 39 14.340 1.979 15.400 1.00 3.77 N ATOM 0 H ARG A 39 11.702 5.224 11.364 1.00 0.68 H new ATOM 0 HA ARG A 39 11.832 2.940 9.595 1.00 0.59 H new ATOM 0 HB2 ARG A 39 10.928 1.728 11.573 1.00 0.66 H new ATOM 0 HB3 ARG A 39 12.407 2.605 11.910 1.00 0.66 H new ATOM 0 HG2 ARG A 39 11.005 4.467 12.886 1.00 0.76 H new ATOM 0 HG3 ARG A 39 9.592 3.452 12.672 1.00 0.76 H new ATOM 0 HD2 ARG A 39 10.385 3.202 14.952 1.00 1.12 H new ATOM 0 HD3 ARG A 39 10.654 1.695 14.097 1.00 1.12 H new ATOM 0 HE ARG A 39 12.901 3.648 14.252 1.00 2.00 H new ATOM 0 HH11 ARG A 39 11.483 0.524 15.111 1.00 2.71 H new ATOM 0 HH12 ARG A 39 12.980 -0.085 15.825 1.00 2.71 H new ATOM 0 HH21 ARG A 39 14.811 2.855 15.175 1.00 3.77 H new ATOM 0 HH22 ARG A 39 14.853 1.227 15.860 1.00 3.77 H new ATOM 596 N SER A 40 9.457 2.455 9.052 1.00 0.45 N ATOM 597 CA SER A 40 8.116 2.284 8.537 1.00 0.50 C ATOM 598 C SER A 40 7.301 1.378 9.452 1.00 0.49 C ATOM 599 O SER A 40 7.852 0.608 10.241 1.00 0.48 O ATOM 600 CB SER A 40 8.191 1.689 7.132 1.00 0.56 C ATOM 601 OG SER A 40 9.157 0.650 7.076 1.00 0.50 O ATOM 0 H SER A 40 10.122 1.755 8.724 1.00 0.45 H new ATOM 0 HA SER A 40 7.621 3.254 8.496 1.00 0.50 H new ATOM 0 HB2 SER A 40 7.214 1.300 6.844 1.00 0.56 H new ATOM 0 HB3 SER A 40 8.447 2.469 6.415 1.00 0.56 H new ATOM 0 HG SER A 40 8.710 -0.218 7.163 1.00 0.50 H new ATOM 607 N SER A 41 5.988 1.493 9.366 1.00 0.59 N ATOM 608 CA SER A 41 5.106 0.595 10.082 1.00 0.68 C ATOM 609 C SER A 41 4.800 -0.617 9.215 1.00 0.65 C ATOM 610 O SER A 41 4.367 -0.473 8.071 1.00 0.66 O ATOM 611 CB SER A 41 3.822 1.323 10.472 1.00 0.85 C ATOM 612 OG SER A 41 4.110 2.431 11.313 1.00 1.54 O ATOM 0 H SER A 41 5.511 2.200 8.807 1.00 0.59 H new ATOM 0 HA SER A 41 5.595 0.256 10.995 1.00 0.68 H new ATOM 0 HB2 SER A 41 3.305 1.665 9.575 1.00 0.85 H new ATOM 0 HB3 SER A 41 3.149 0.636 10.985 1.00 0.85 H new ATOM 0 HG SER A 41 3.276 2.886 11.551 1.00 1.54 H new ATOM 618 N ALA A 42 5.061 -1.799 9.762 1.00 0.69 N ATOM 619 CA ALA A 42 4.911 -3.048 9.028 1.00 0.72 C ATOM 620 C ALA A 42 3.494 -3.218 8.501 1.00 0.63 C ATOM 621 O ALA A 42 2.566 -3.504 9.256 1.00 0.66 O ATOM 622 CB ALA A 42 5.288 -4.227 9.913 1.00 0.84 C ATOM 0 H ALA A 42 5.381 -1.917 10.723 1.00 0.69 H new ATOM 0 HA ALA A 42 5.584 -3.014 8.171 1.00 0.72 H new ATOM 0 HB1 ALA A 42 5.172 -5.155 9.353 1.00 0.84 H new ATOM 0 HB2 ALA A 42 6.325 -4.124 10.234 1.00 0.84 H new ATOM 0 HB3 ALA A 42 4.638 -4.248 10.788 1.00 0.84 H new ATOM 628 N LEU A 43 3.334 -3.040 7.203 1.00 0.59 N ATOM 629 CA LEU A 43 2.043 -3.213 6.573 1.00 0.54 C ATOM 630 C LEU A 43 2.114 -4.425 5.654 1.00 0.45 C ATOM 631 O LEU A 43 2.366 -4.302 4.459 1.00 0.51 O ATOM 632 CB LEU A 43 1.659 -1.947 5.788 1.00 0.65 C ATOM 633 CG LEU A 43 0.153 -1.704 5.590 1.00 0.83 C ATOM 634 CD1 LEU A 43 -0.461 -2.716 4.629 1.00 1.42 C ATOM 635 CD2 LEU A 43 -0.568 -1.739 6.927 1.00 1.42 C ATOM 0 H LEU A 43 4.085 -2.775 6.565 1.00 0.59 H new ATOM 0 HA LEU A 43 1.275 -3.376 7.329 1.00 0.54 H new ATOM 0 HB2 LEU A 43 2.081 -1.083 6.302 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.131 -1.996 4.807 1.00 0.65 H new ATOM 0 HG LEU A 43 0.034 -0.715 5.147 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -1.525 -2.511 4.516 1.00 1.42 H new ATOM 0 HD12 LEU A 43 0.029 -2.639 3.658 1.00 1.42 H new ATOM 0 HD13 LEU A 43 -0.326 -3.722 5.025 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -1.633 -1.565 6.771 1.00 1.42 H new ATOM 0 HD22 LEU A 43 -0.424 -2.714 7.393 1.00 1.42 H new ATOM 0 HD23 LEU A 43 -0.166 -0.963 7.578 1.00 1.42 H new ATOM 647 N LYS A 44 1.913 -5.599 6.225 1.00 0.43 N ATOM 648 CA LYS A 44 1.995 -6.827 5.464 1.00 0.43 C ATOM 649 C LYS A 44 0.680 -7.588 5.538 1.00 0.41 C ATOM 650 O LYS A 44 0.160 -7.866 6.622 1.00 0.50 O ATOM 651 CB LYS A 44 3.164 -7.688 5.953 1.00 0.61 C ATOM 652 CG LYS A 44 3.128 -8.015 7.434 1.00 0.88 C ATOM 653 CD LYS A 44 4.395 -8.732 7.861 1.00 1.15 C ATOM 654 CE LYS A 44 4.362 -9.098 9.333 1.00 1.77 C ATOM 655 NZ LYS A 44 5.673 -9.623 9.794 1.00 2.43 N ATOM 0 H LYS A 44 1.692 -5.725 7.213 1.00 0.43 H new ATOM 0 HA LYS A 44 2.180 -6.577 4.419 1.00 0.43 H new ATOM 0 HB2 LYS A 44 3.173 -8.620 5.388 1.00 0.61 H new ATOM 0 HB3 LYS A 44 4.097 -7.171 5.731 1.00 0.61 H new ATOM 0 HG2 LYS A 44 3.013 -7.097 8.010 1.00 0.88 H new ATOM 0 HG3 LYS A 44 2.261 -8.639 7.652 1.00 0.88 H new ATOM 0 HD2 LYS A 44 4.521 -9.635 7.264 1.00 1.15 H new ATOM 0 HD3 LYS A 44 5.258 -8.096 7.663 1.00 1.15 H new ATOM 0 HE2 LYS A 44 4.093 -8.220 9.921 1.00 1.77 H new ATOM 0 HE3 LYS A 44 3.588 -9.846 9.506 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 5.615 -9.863 10.804 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 5.917 -10.475 9.249 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 6.406 -8.899 9.652 1.00 2.43 H new ATOM 669 N GLY A 45 0.138 -7.889 4.376 1.00 0.37 N ATOM 670 CA GLY A 45 -1.143 -8.544 4.289 1.00 0.37 C ATOM 671 C GLY A 45 -1.611 -8.609 2.859 1.00 0.33 C ATOM 672 O GLY A 45 -0.812 -8.439 1.936 1.00 0.34 O ATOM 0 H GLY A 45 0.571 -7.687 3.475 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -1.071 -9.551 4.699 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -1.874 -8.006 4.892 1.00 0.37 H new ATOM 676 N ARG A 46 -2.897 -8.835 2.667 1.00 0.35 N ATOM 677 CA ARG A 46 -3.470 -8.854 1.332 1.00 0.36 C ATOM 678 C ARG A 46 -4.091 -7.503 1.018 1.00 0.34 C ATOM 679 O ARG A 46 -5.226 -7.231 1.404 1.00 0.48 O ATOM 680 CB ARG A 46 -4.509 -9.969 1.191 1.00 0.49 C ATOM 681 CG ARG A 46 -3.912 -11.287 0.730 1.00 0.97 C ATOM 682 CD ARG A 46 -4.966 -12.374 0.598 1.00 1.13 C ATOM 683 NE ARG A 46 -5.516 -12.771 1.892 1.00 1.77 N ATOM 684 CZ ARG A 46 -6.434 -13.723 2.046 1.00 2.26 C ATOM 685 NH1 ARG A 46 -6.908 -14.381 0.996 1.00 2.15 N ATOM 686 NH2 ARG A 46 -6.883 -14.020 3.254 1.00 3.27 N ATOM 0 H ARG A 46 -3.566 -9.008 3.418 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.671 -9.054 0.618 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -5.005 -10.118 2.150 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -5.275 -9.656 0.481 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -3.416 -11.144 -0.230 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -3.148 -11.607 1.439 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -5.772 -12.019 -0.044 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -4.528 -13.244 0.109 1.00 1.13 H new ATOM 0 HE ARG A 46 -5.177 -12.291 2.726 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -6.569 -14.159 0.060 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -7.611 -15.109 1.125 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -6.526 -13.520 4.068 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -7.586 -14.749 3.372 1.00 3.27 H new ATOM 700 N HIS A 47 -3.328 -6.653 0.341 1.00 0.32 N ATOM 701 CA HIS A 47 -3.793 -5.318 -0.027 1.00 0.45 C ATOM 702 C HIS A 47 -3.230 -4.897 -1.373 1.00 0.43 C ATOM 703 O HIS A 47 -2.233 -5.449 -1.842 1.00 0.46 O ATOM 704 CB HIS A 47 -3.405 -4.286 1.033 1.00 0.68 C ATOM 705 CG HIS A 47 -4.348 -4.230 2.192 1.00 1.01 C ATOM 706 ND1 HIS A 47 -5.706 -4.446 2.073 1.00 1.79 N ATOM 707 CD2 HIS A 47 -4.127 -3.976 3.502 1.00 1.21 C ATOM 708 CE1 HIS A 47 -6.274 -4.325 3.256 1.00 1.98 C ATOM 709 NE2 HIS A 47 -5.336 -4.038 4.139 1.00 1.57 N ATOM 0 H HIS A 47 -2.379 -6.865 0.034 1.00 0.32 H new ATOM 0 HA HIS A 47 -4.880 -5.362 -0.095 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -2.405 -4.515 1.401 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -3.356 -3.301 0.568 1.00 0.68 H new ATOM 0 HD1 HIS A 47 -6.194 -4.665 1.205 1.00 1.79 H new ATOM 0 HD2 HIS A 47 -3.172 -3.764 3.960 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -7.327 -4.441 3.467 1.00 1.98 H new ATOM 718 N ASP A 48 -3.893 -3.931 -1.997 1.00 0.47 N ATOM 719 CA ASP A 48 -3.456 -3.400 -3.279 1.00 0.55 C ATOM 720 C ASP A 48 -2.425 -2.294 -3.084 1.00 0.48 C ATOM 721 O ASP A 48 -2.136 -1.896 -1.953 1.00 0.44 O ATOM 722 CB ASP A 48 -4.645 -2.856 -4.077 1.00 0.70 C ATOM 723 CG ASP A 48 -5.319 -1.684 -3.392 1.00 1.20 C ATOM 724 OD1 ASP A 48 -4.892 -0.533 -3.624 1.00 1.86 O ATOM 725 OD2 ASP A 48 -6.289 -1.903 -2.632 1.00 1.80 O ATOM 0 H ASP A 48 -4.741 -3.498 -1.631 1.00 0.47 H new ATOM 0 HA ASP A 48 -2.999 -4.217 -3.837 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -4.304 -2.547 -5.065 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -5.373 -3.653 -4.226 1.00 0.70 H new ATOM 730 N LEU A 49 -1.890 -1.792 -4.189 1.00 0.50 N ATOM 731 CA LEU A 49 -0.831 -0.790 -4.150 1.00 0.51 C ATOM 732 C LEU A 49 -1.273 0.469 -3.400 1.00 0.42 C ATOM 733 O LEU A 49 -0.619 0.892 -2.443 1.00 0.43 O ATOM 734 CB LEU A 49 -0.409 -0.426 -5.577 1.00 0.61 C ATOM 735 CG LEU A 49 0.743 0.575 -5.686 1.00 0.73 C ATOM 736 CD1 LEU A 49 2.019 0.001 -5.084 1.00 1.16 C ATOM 737 CD2 LEU A 49 0.964 0.967 -7.141 1.00 1.18 C ATOM 0 H LEU A 49 -2.174 -2.064 -5.130 1.00 0.50 H new ATOM 0 HA LEU A 49 0.016 -1.217 -3.614 1.00 0.51 H new ATOM 0 HB2 LEU A 49 -0.124 -1.340 -6.098 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -1.274 -0.017 -6.100 1.00 0.61 H new ATOM 0 HG LEU A 49 0.477 1.469 -5.121 1.00 0.73 H new ATOM 0 HD11 LEU A 49 2.824 0.731 -5.173 1.00 1.16 H new ATOM 0 HD12 LEU A 49 1.853 -0.229 -4.032 1.00 1.16 H new ATOM 0 HD13 LEU A 49 2.295 -0.910 -5.616 1.00 1.16 H new ATOM 0 HD21 LEU A 49 1.786 1.680 -7.205 1.00 1.18 H new ATOM 0 HD22 LEU A 49 1.207 0.079 -7.724 1.00 1.18 H new ATOM 0 HD23 LEU A 49 0.057 1.423 -7.537 1.00 1.18 H new ATOM 749 N GLN A 50 -2.387 1.053 -3.829 1.00 0.41 N ATOM 750 CA GLN A 50 -2.867 2.310 -3.264 1.00 0.42 C ATOM 751 C GLN A 50 -3.169 2.181 -1.779 1.00 0.39 C ATOM 752 O GLN A 50 -2.782 3.041 -0.993 1.00 0.41 O ATOM 753 CB GLN A 50 -4.109 2.803 -4.004 1.00 0.52 C ATOM 754 CG GLN A 50 -3.864 3.138 -5.467 1.00 1.21 C ATOM 755 CD GLN A 50 -2.778 4.182 -5.658 1.00 1.67 C ATOM 756 OE1 GLN A 50 -3.042 5.383 -5.654 1.00 2.15 O ATOM 757 NE2 GLN A 50 -1.547 3.729 -5.839 1.00 2.39 N ATOM 0 H GLN A 50 -2.977 0.674 -4.570 1.00 0.41 H new ATOM 0 HA GLN A 50 -2.067 3.040 -3.387 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -4.884 2.039 -3.942 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -4.493 3.689 -3.498 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -3.586 2.230 -6.001 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -4.791 3.499 -5.912 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -1.367 2.725 -5.836 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -0.778 4.384 -5.982 1.00 2.39 H new ATOM 766 N SER A 51 -3.848 1.104 -1.401 1.00 0.41 N ATOM 767 CA SER A 51 -4.183 0.869 -0.001 1.00 0.46 C ATOM 768 C SER A 51 -2.921 0.767 0.849 1.00 0.41 C ATOM 769 O SER A 51 -2.843 1.347 1.933 1.00 0.43 O ATOM 770 CB SER A 51 -5.019 -0.405 0.139 1.00 0.57 C ATOM 771 OG SER A 51 -6.219 -0.308 -0.604 1.00 1.33 O ATOM 0 H SER A 51 -4.177 0.382 -2.042 1.00 0.41 H new ATOM 0 HA SER A 51 -4.769 1.716 0.356 1.00 0.46 H new ATOM 0 HB2 SER A 51 -4.442 -1.263 -0.206 1.00 0.57 H new ATOM 0 HB3 SER A 51 -5.251 -0.579 1.190 1.00 0.57 H new ATOM 0 HG SER A 51 -6.369 -1.143 -1.094 1.00 1.33 H new ATOM 777 N SER A 52 -1.929 0.039 0.349 1.00 0.40 N ATOM 778 CA SER A 52 -0.665 -0.114 1.049 1.00 0.43 C ATOM 779 C SER A 52 0.013 1.241 1.238 1.00 0.41 C ATOM 780 O SER A 52 0.443 1.578 2.339 1.00 0.45 O ATOM 781 CB SER A 52 0.248 -1.070 0.281 1.00 0.49 C ATOM 782 OG SER A 52 -0.399 -2.314 0.062 1.00 1.21 O ATOM 0 H SER A 52 -1.979 -0.455 -0.542 1.00 0.40 H new ATOM 0 HA SER A 52 -0.861 -0.535 2.035 1.00 0.43 H new ATOM 0 HB2 SER A 52 0.526 -0.626 -0.675 1.00 0.49 H new ATOM 0 HB3 SER A 52 1.170 -1.228 0.840 1.00 0.49 H new ATOM 0 HG SER A 52 -0.978 -2.247 -0.726 1.00 1.21 H new ATOM 788 N LEU A 53 0.078 2.022 0.162 1.00 0.39 N ATOM 789 CA LEU A 53 0.688 3.348 0.210 1.00 0.41 C ATOM 790 C LEU A 53 -0.061 4.266 1.171 1.00 0.40 C ATOM 791 O LEU A 53 0.552 4.998 1.948 1.00 0.46 O ATOM 792 CB LEU A 53 0.703 3.974 -1.187 1.00 0.44 C ATOM 793 CG LEU A 53 1.665 3.327 -2.180 1.00 0.51 C ATOM 794 CD1 LEU A 53 1.450 3.901 -3.573 1.00 0.70 C ATOM 795 CD2 LEU A 53 3.105 3.534 -1.732 1.00 0.56 C ATOM 0 H LEU A 53 -0.285 1.759 -0.754 1.00 0.39 H new ATOM 0 HA LEU A 53 1.711 3.231 0.569 1.00 0.41 H new ATOM 0 HB2 LEU A 53 -0.305 3.927 -1.599 1.00 0.44 H new ATOM 0 HB3 LEU A 53 0.960 5.029 -1.092 1.00 0.44 H new ATOM 0 HG LEU A 53 1.466 2.256 -2.214 1.00 0.51 H new ATOM 0 HD11 LEU A 53 2.143 3.431 -4.271 1.00 0.70 H new ATOM 0 HD12 LEU A 53 0.426 3.708 -3.892 1.00 0.70 H new ATOM 0 HD13 LEU A 53 1.627 4.976 -3.555 1.00 0.70 H new ATOM 0 HD21 LEU A 53 3.780 3.067 -2.450 1.00 0.56 H new ATOM 0 HD22 LEU A 53 3.318 4.601 -1.674 1.00 0.56 H new ATOM 0 HD23 LEU A 53 3.249 3.082 -0.751 1.00 0.56 H new ATOM 807 N ARG A 54 -1.386 4.210 1.113 1.00 0.38 N ATOM 808 CA ARG A 54 -2.233 5.083 1.915 1.00 0.43 C ATOM 809 C ARG A 54 -2.014 4.823 3.404 1.00 0.42 C ATOM 810 O ARG A 54 -1.797 5.756 4.178 1.00 0.48 O ATOM 811 CB ARG A 54 -3.708 4.872 1.542 1.00 0.51 C ATOM 812 CG ARG A 54 -4.566 6.126 1.655 1.00 1.10 C ATOM 813 CD ARG A 54 -4.641 6.640 3.084 1.00 1.31 C ATOM 814 NE ARG A 54 -5.359 7.911 3.182 1.00 1.87 N ATOM 815 CZ ARG A 54 -4.919 8.959 3.876 1.00 2.48 C ATOM 816 NH1 ARG A 54 -3.760 8.889 4.521 1.00 2.70 N ATOM 817 NH2 ARG A 54 -5.632 10.076 3.912 1.00 3.38 N ATOM 0 H ARG A 54 -1.900 3.564 0.514 1.00 0.38 H new ATOM 0 HA ARG A 54 -1.964 6.119 1.708 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -3.763 4.499 0.519 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -4.127 4.099 2.186 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -4.156 6.904 1.011 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -5.572 5.910 1.294 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -5.136 5.897 3.709 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -3.632 6.765 3.476 1.00 1.31 H new ATOM 0 HE ARG A 54 -6.248 8.000 2.690 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -3.207 8.033 4.485 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -3.423 9.692 5.053 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -6.517 10.132 3.408 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -5.295 10.879 4.443 1.00 3.38 H new ATOM 831 N ILE A 55 -2.049 3.556 3.796 1.00 0.42 N ATOM 832 CA ILE A 55 -1.902 3.194 5.199 1.00 0.47 C ATOM 833 C ILE A 55 -0.456 3.374 5.662 1.00 0.49 C ATOM 834 O ILE A 55 -0.204 3.740 6.811 1.00 0.59 O ATOM 835 CB ILE A 55 -2.356 1.741 5.467 1.00 0.56 C ATOM 836 CG1 ILE A 55 -3.773 1.521 4.931 1.00 0.59 C ATOM 837 CG2 ILE A 55 -2.306 1.436 6.960 1.00 0.66 C ATOM 838 CD1 ILE A 55 -4.281 0.107 5.111 1.00 1.24 C ATOM 0 H ILE A 55 -2.177 2.765 3.165 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.546 3.864 5.768 1.00 0.47 H new ATOM 0 HB ILE A 55 -1.676 1.064 4.950 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -4.453 2.208 5.435 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -3.793 1.772 3.871 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -2.629 0.409 7.133 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -1.286 1.562 7.323 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -2.968 2.119 7.493 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -5.290 0.029 4.707 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -3.625 -0.585 4.584 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -4.294 -0.143 6.172 1.00 1.24 H new ATOM 850 N LEU A 56 0.492 3.133 4.763 1.00 0.45 N ATOM 851 CA LEU A 56 1.908 3.266 5.093 1.00 0.52 C ATOM 852 C LEU A 56 2.273 4.722 5.363 1.00 0.53 C ATOM 853 O LEU A 56 3.026 5.018 6.290 1.00 0.65 O ATOM 854 CB LEU A 56 2.778 2.710 3.962 1.00 0.57 C ATOM 855 CG LEU A 56 4.283 2.698 4.234 1.00 0.75 C ATOM 856 CD1 LEU A 56 4.606 1.812 5.428 1.00 1.04 C ATOM 857 CD2 LEU A 56 5.040 2.227 3.001 1.00 1.63 C ATOM 0 H LEU A 56 0.307 2.845 3.802 1.00 0.45 H new ATOM 0 HA LEU A 56 2.095 2.690 5.999 1.00 0.52 H new ATOM 0 HB2 LEU A 56 2.457 1.691 3.748 1.00 0.57 H new ATOM 0 HB3 LEU A 56 2.594 3.298 3.063 1.00 0.57 H new ATOM 0 HG LEU A 56 4.598 3.715 4.468 1.00 0.75 H new ATOM 0 HD11 LEU A 56 5.682 1.817 5.605 1.00 1.04 H new ATOM 0 HD12 LEU A 56 4.091 2.190 6.311 1.00 1.04 H new ATOM 0 HD13 LEU A 56 4.277 0.793 5.225 1.00 1.04 H new ATOM 0 HD21 LEU A 56 6.110 2.224 3.210 1.00 1.63 H new ATOM 0 HD22 LEU A 56 4.718 1.219 2.740 1.00 1.63 H new ATOM 0 HD23 LEU A 56 4.835 2.900 2.169 1.00 1.63 H new ATOM 869 N LEU A 57 1.732 5.628 4.556 1.00 0.51 N ATOM 870 CA LEU A 57 2.016 7.048 4.706 1.00 0.63 C ATOM 871 C LEU A 57 0.865 7.768 5.404 1.00 0.72 C ATOM 872 O LEU A 57 0.780 8.995 5.378 1.00 1.16 O ATOM 873 CB LEU A 57 2.291 7.683 3.342 1.00 0.80 C ATOM 874 CG LEU A 57 3.466 7.077 2.573 1.00 1.29 C ATOM 875 CD1 LEU A 57 3.682 7.814 1.267 1.00 1.68 C ATOM 876 CD2 LEU A 57 4.726 7.110 3.417 1.00 2.17 C ATOM 0 H LEU A 57 1.095 5.403 3.792 1.00 0.51 H new ATOM 0 HA LEU A 57 2.905 7.150 5.328 1.00 0.63 H new ATOM 0 HB2 LEU A 57 1.393 7.597 2.730 1.00 0.80 H new ATOM 0 HB3 LEU A 57 2.479 8.747 3.485 1.00 0.80 H new ATOM 0 HG LEU A 57 3.230 6.037 2.346 1.00 1.29 H new ATOM 0 HD11 LEU A 57 4.522 7.370 0.733 1.00 1.68 H new ATOM 0 HD12 LEU A 57 2.783 7.741 0.655 1.00 1.68 H new ATOM 0 HD13 LEU A 57 3.897 8.863 1.472 1.00 1.68 H new ATOM 0 HD21 LEU A 57 5.552 6.675 2.855 1.00 2.17 H new ATOM 0 HD22 LEU A 57 4.965 8.142 3.673 1.00 2.17 H new ATOM 0 HD23 LEU A 57 4.567 6.537 4.330 1.00 2.17 H new ATOM 888 N GLN A 58 -0.022 6.979 6.006 1.00 0.61 N ATOM 889 CA GLN A 58 -1.160 7.495 6.766 1.00 0.79 C ATOM 890 C GLN A 58 -0.715 8.489 7.845 1.00 1.05 C ATOM 891 O GLN A 58 -0.380 8.094 8.963 1.00 2.03 O ATOM 892 CB GLN A 58 -1.917 6.331 7.415 1.00 0.90 C ATOM 893 CG GLN A 58 -3.228 6.729 8.073 1.00 1.29 C ATOM 894 CD GLN A 58 -3.842 5.596 8.871 1.00 1.60 C ATOM 895 OE1 GLN A 58 -3.579 5.451 10.066 1.00 2.30 O ATOM 896 NE2 GLN A 58 -4.656 4.779 8.219 1.00 1.85 N ATOM 0 H GLN A 58 0.028 5.961 5.981 1.00 0.61 H new ATOM 0 HA GLN A 58 -1.815 8.024 6.073 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -2.119 5.576 6.656 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -1.274 5.867 8.163 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -3.057 7.582 8.730 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -3.932 7.053 7.307 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -4.848 4.933 7.229 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -5.091 3.996 8.707 1.00 1.85 H new ATOM 905 N GLY A 59 -0.706 9.774 7.499 1.00 0.97 N ATOM 906 CA GLY A 59 -0.371 10.812 8.460 1.00 1.28 C ATOM 907 C GLY A 59 1.074 10.749 8.929 1.00 1.13 C ATOM 908 O GLY A 59 1.375 11.096 10.069 1.00 1.42 O ATOM 0 H GLY A 59 -0.926 10.117 6.564 1.00 0.97 H new ATOM 0 HA2 GLY A 59 -0.559 11.788 8.012 1.00 1.28 H new ATOM 0 HA3 GLY A 59 -1.031 10.726 9.323 1.00 1.28 H new ATOM 912 N THR A 60 1.965 10.286 8.063 1.00 0.95 N ATOM 913 CA THR A 60 3.385 10.239 8.401 1.00 0.99 C ATOM 914 C THR A 60 4.100 11.529 8.006 1.00 1.06 C ATOM 915 O THR A 60 5.310 11.668 8.193 1.00 1.25 O ATOM 916 CB THR A 60 4.076 9.047 7.713 1.00 1.04 C ATOM 917 OG1 THR A 60 3.843 9.096 6.299 1.00 0.99 O ATOM 918 CG2 THR A 60 3.567 7.727 8.273 1.00 1.21 C ATOM 0 H THR A 60 1.736 9.941 7.131 1.00 0.95 H new ATOM 0 HA THR A 60 3.449 10.120 9.483 1.00 0.99 H new ATOM 0 HB THR A 60 5.147 9.114 7.907 1.00 1.04 H new ATOM 0 HG1 THR A 60 4.518 8.556 5.837 1.00 0.99 H new ATOM 0 HG21 THR A 60 4.070 6.901 7.771 1.00 1.21 H new ATOM 0 HG22 THR A 60 3.773 7.682 9.342 1.00 1.21 H new ATOM 0 HG23 THR A 60 2.492 7.652 8.107 1.00 1.21 H new ATOM 926 N GLY A 61 3.344 12.468 7.453 1.00 1.08 N ATOM 927 CA GLY A 61 3.913 13.736 7.040 1.00 1.32 C ATOM 928 C GLY A 61 4.483 13.676 5.636 1.00 1.26 C ATOM 929 O GLY A 61 4.913 14.691 5.081 1.00 1.35 O ATOM 0 H GLY A 61 2.343 12.374 7.282 1.00 1.08 H new ATOM 0 HA2 GLY A 61 3.146 14.509 7.087 1.00 1.32 H new ATOM 0 HA3 GLY A 61 4.699 14.024 7.738 1.00 1.32 H new ATOM 933 N LEU A 62 4.482 12.485 5.055 1.00 1.16 N ATOM 934 CA LEU A 62 4.978 12.286 3.708 1.00 1.11 C ATOM 935 C LEU A 62 3.813 12.297 2.733 1.00 1.07 C ATOM 936 O LEU A 62 2.695 11.916 3.088 1.00 1.14 O ATOM 937 CB LEU A 62 5.725 10.951 3.610 1.00 1.10 C ATOM 938 CG LEU A 62 6.877 10.769 4.607 1.00 1.19 C ATOM 939 CD1 LEU A 62 7.457 9.368 4.499 1.00 1.23 C ATOM 940 CD2 LEU A 62 7.963 11.807 4.376 1.00 1.28 C ATOM 0 H LEU A 62 4.139 11.636 5.504 1.00 1.16 H new ATOM 0 HA LEU A 62 5.668 13.092 3.460 1.00 1.11 H new ATOM 0 HB2 LEU A 62 5.009 10.142 3.755 1.00 1.10 H new ATOM 0 HB3 LEU A 62 6.121 10.849 2.600 1.00 1.10 H new ATOM 0 HG LEU A 62 6.479 10.907 5.612 1.00 1.19 H new ATOM 0 HD11 LEU A 62 8.273 9.256 5.213 1.00 1.23 H new ATOM 0 HD12 LEU A 62 6.680 8.635 4.717 1.00 1.23 H new ATOM 0 HD13 LEU A 62 7.834 9.207 3.489 1.00 1.23 H new ATOM 0 HD21 LEU A 62 8.768 11.657 5.095 1.00 1.28 H new ATOM 0 HD22 LEU A 62 8.356 11.704 3.364 1.00 1.28 H new ATOM 0 HD23 LEU A 62 7.545 12.806 4.503 1.00 1.28 H new ATOM 952 N ARG A 63 4.071 12.738 1.521 1.00 1.01 N ATOM 953 CA ARG A 63 3.052 12.781 0.491 1.00 1.03 C ATOM 954 C ARG A 63 3.536 11.962 -0.699 1.00 0.92 C ATOM 955 O ARG A 63 4.740 11.747 -0.851 1.00 0.87 O ATOM 956 CB ARG A 63 2.776 14.234 0.089 1.00 1.15 C ATOM 957 CG ARG A 63 1.533 14.416 -0.768 1.00 1.51 C ATOM 958 CD ARG A 63 1.333 15.871 -1.159 1.00 1.78 C ATOM 959 NE ARG A 63 0.137 16.056 -1.979 1.00 2.51 N ATOM 960 CZ ARG A 63 -0.141 17.165 -2.664 1.00 3.28 C ATOM 961 NH1 ARG A 63 0.711 18.186 -2.652 1.00 3.53 N ATOM 962 NH2 ARG A 63 -1.266 17.253 -3.362 1.00 4.21 N ATOM 0 H ARG A 63 4.986 13.075 1.221 1.00 1.01 H new ATOM 0 HA ARG A 63 2.118 12.358 0.861 1.00 1.03 H new ATOM 0 HB2 ARG A 63 2.673 14.836 0.992 1.00 1.15 H new ATOM 0 HB3 ARG A 63 3.639 14.619 -0.455 1.00 1.15 H new ATOM 0 HG2 ARG A 63 1.617 13.805 -1.667 1.00 1.51 H new ATOM 0 HG3 ARG A 63 0.659 14.062 -0.222 1.00 1.51 H new ATOM 0 HD2 ARG A 63 1.254 16.481 -0.259 1.00 1.78 H new ATOM 0 HD3 ARG A 63 2.207 16.223 -1.707 1.00 1.78 H new ATOM 0 HE ARG A 63 -0.529 15.285 -2.030 1.00 2.51 H new ATOM 0 HH11 ARG A 63 1.578 18.121 -2.118 1.00 3.53 H new ATOM 0 HH12 ARG A 63 0.498 19.034 -3.176 1.00 3.53 H new ATOM 0 HH21 ARG A 63 -1.921 16.471 -3.375 1.00 4.21 H new ATOM 0 HH22 ARG A 63 -1.476 18.103 -3.885 1.00 4.21 H new ATOM 976 N TYR A 64 2.620 11.490 -1.528 1.00 0.96 N ATOM 977 CA TYR A 64 3.010 10.678 -2.667 1.00 0.91 C ATOM 978 C TYR A 64 2.174 10.993 -3.900 1.00 0.89 C ATOM 979 O TYR A 64 0.944 11.032 -3.850 1.00 0.94 O ATOM 980 CB TYR A 64 2.931 9.175 -2.329 1.00 0.92 C ATOM 981 CG TYR A 64 1.531 8.638 -2.069 1.00 0.97 C ATOM 982 CD1 TYR A 64 0.971 8.670 -0.796 1.00 1.02 C ATOM 983 CD2 TYR A 64 0.778 8.081 -3.098 1.00 1.06 C ATOM 984 CE1 TYR A 64 -0.296 8.170 -0.559 1.00 1.14 C ATOM 985 CE2 TYR A 64 -0.490 7.583 -2.867 1.00 1.18 C ATOM 986 CZ TYR A 64 -1.022 7.627 -1.597 1.00 1.20 C ATOM 987 OH TYR A 64 -2.285 7.128 -1.366 1.00 1.37 O ATOM 0 H TYR A 64 1.617 11.652 -1.436 1.00 0.96 H new ATOM 0 HA TYR A 64 4.046 10.926 -2.898 1.00 0.91 H new ATOM 0 HB2 TYR A 64 3.371 8.611 -3.151 1.00 0.92 H new ATOM 0 HB3 TYR A 64 3.544 8.985 -1.448 1.00 0.92 H new ATOM 0 HD1 TYR A 64 1.536 9.093 0.022 1.00 1.02 H new ATOM 0 HD2 TYR A 64 1.192 8.037 -4.095 1.00 1.06 H new ATOM 0 HE1 TYR A 64 -0.715 8.205 0.436 1.00 1.14 H new ATOM 0 HE2 TYR A 64 -1.062 7.161 -3.680 1.00 1.18 H new ATOM 0 HH TYR A 64 -2.659 6.783 -2.204 1.00 1.37 H new ATOM 997 N GLN A 65 2.862 11.264 -4.996 1.00 0.90 N ATOM 998 CA GLN A 65 2.224 11.346 -6.299 1.00 0.93 C ATOM 999 C GLN A 65 2.613 10.120 -7.117 1.00 0.87 C ATOM 1000 O GLN A 65 3.801 9.854 -7.311 1.00 0.86 O ATOM 1001 CB GLN A 65 2.628 12.615 -7.058 1.00 1.03 C ATOM 1002 CG GLN A 65 1.995 13.901 -6.543 1.00 1.59 C ATOM 1003 CD GLN A 65 2.766 14.540 -5.404 1.00 2.07 C ATOM 1004 OE1 GLN A 65 3.673 15.340 -5.630 1.00 2.64 O ATOM 1005 NE2 GLN A 65 2.393 14.220 -4.179 1.00 2.63 N ATOM 0 H GLN A 65 3.868 11.432 -5.009 1.00 0.90 H new ATOM 0 HA GLN A 65 1.145 11.383 -6.147 1.00 0.93 H new ATOM 0 HB2 GLN A 65 3.712 12.718 -7.013 1.00 1.03 H new ATOM 0 HB3 GLN A 65 2.363 12.492 -8.108 1.00 1.03 H new ATOM 0 HG2 GLN A 65 1.919 14.613 -7.364 1.00 1.59 H new ATOM 0 HG3 GLN A 65 0.979 13.689 -6.210 1.00 1.59 H new ATOM 0 HE21 GLN A 65 1.636 13.552 -4.035 1.00 2.63 H new ATOM 0 HE22 GLN A 65 2.862 14.641 -3.377 1.00 2.63 H new ATOM 1014 N ILE A 66 1.629 9.367 -7.578 1.00 0.88 N ATOM 1015 CA ILE A 66 1.900 8.169 -8.356 1.00 0.86 C ATOM 1016 C ILE A 66 1.658 8.430 -9.843 1.00 0.98 C ATOM 1017 O ILE A 66 0.525 8.422 -10.330 1.00 1.11 O ATOM 1018 CB ILE A 66 1.071 6.955 -7.862 1.00 0.92 C ATOM 1019 CG1 ILE A 66 1.291 5.752 -8.788 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -0.410 7.303 -7.746 1.00 1.28 C ATOM 1021 CD1 ILE A 66 0.615 4.483 -8.322 1.00 1.13 C ATOM 0 H ILE A 66 0.639 9.562 -7.428 1.00 0.88 H new ATOM 0 HA ILE A 66 2.951 7.916 -8.214 1.00 0.86 H new ATOM 0 HB ILE A 66 1.416 6.688 -6.863 1.00 0.92 H new ATOM 0 HG12 ILE A 66 0.924 6.002 -9.784 1.00 1.02 H new ATOM 0 HG13 ILE A 66 2.362 5.568 -8.879 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -0.963 6.430 -7.397 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -0.537 8.120 -7.036 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -0.790 7.607 -8.721 1.00 1.28 H new ATOM 0 HD11 ILE A 66 0.819 3.681 -9.031 1.00 1.13 H new ATOM 0 HD12 ILE A 66 0.998 4.206 -7.340 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -0.461 4.646 -8.259 1.00 1.13 H new ATOM 1033 N ASP A 67 2.737 8.695 -10.557 1.00 1.04 N ATOM 1034 CA ASP A 67 2.660 9.005 -11.973 1.00 1.25 C ATOM 1035 C ASP A 67 3.027 7.779 -12.792 1.00 1.20 C ATOM 1036 O ASP A 67 4.158 7.296 -12.733 1.00 1.13 O ATOM 1037 CB ASP A 67 3.591 10.169 -12.311 1.00 1.45 C ATOM 1038 CG ASP A 67 3.409 10.662 -13.730 1.00 1.82 C ATOM 1039 OD1 ASP A 67 2.559 11.552 -13.951 1.00 2.29 O ATOM 1040 OD2 ASP A 67 4.120 10.171 -14.632 1.00 2.28 O ATOM 0 H ASP A 67 3.683 8.702 -10.176 1.00 1.04 H new ATOM 0 HA ASP A 67 1.639 9.298 -12.216 1.00 1.25 H new ATOM 0 HB2 ASP A 67 3.408 10.990 -11.618 1.00 1.45 H new ATOM 0 HB3 ASP A 67 4.625 9.856 -12.168 1.00 1.45 H new ATOM 1045 N GLY A 68 2.060 7.273 -13.539 1.00 1.28 N ATOM 1046 CA GLY A 68 2.268 6.072 -14.321 1.00 1.30 C ATOM 1047 C GLY A 68 2.519 4.861 -13.448 1.00 1.14 C ATOM 1048 O GLY A 68 1.631 4.409 -12.725 1.00 1.18 O ATOM 0 H GLY A 68 1.126 7.676 -13.619 1.00 1.28 H new ATOM 0 HA2 GLY A 68 1.394 5.892 -14.948 1.00 1.30 H new ATOM 0 HA3 GLY A 68 3.116 6.218 -14.990 1.00 1.30 H new ATOM 1052 N ASN A 69 3.740 4.358 -13.502 1.00 1.03 N ATOM 1053 CA ASN A 69 4.146 3.207 -12.705 1.00 0.94 C ATOM 1054 C ASN A 69 5.158 3.636 -11.656 1.00 0.75 C ATOM 1055 O ASN A 69 5.804 2.805 -11.015 1.00 0.69 O ATOM 1056 CB ASN A 69 4.757 2.118 -13.601 1.00 1.06 C ATOM 1057 CG ASN A 69 5.972 2.602 -14.377 1.00 1.67 C ATOM 1058 OD1 ASN A 69 6.056 3.767 -14.771 1.00 2.35 O ATOM 1059 ND2 ASN A 69 6.926 1.713 -14.597 1.00 2.29 N ATOM 0 H ASN A 69 4.479 4.733 -14.097 1.00 1.03 H new ATOM 0 HA ASN A 69 3.264 2.799 -12.211 1.00 0.94 H new ATOM 0 HB2 ASN A 69 5.042 1.265 -12.985 1.00 1.06 H new ATOM 0 HB3 ASN A 69 4.001 1.766 -14.303 1.00 1.06 H new ATOM 0 HD21 ASN A 69 7.766 1.983 -15.108 1.00 2.29 H new ATOM 0 HD22 ASN A 69 6.821 0.758 -14.256 1.00 2.29 H new ATOM 1066 N THR A 70 5.282 4.939 -11.477 1.00 0.74 N ATOM 1067 CA THR A 70 6.266 5.496 -10.574 1.00 0.68 C ATOM 1068 C THR A 70 5.592 6.174 -9.385 1.00 0.63 C ATOM 1069 O THR A 70 4.665 6.969 -9.541 1.00 0.71 O ATOM 1070 CB THR A 70 7.176 6.493 -11.318 1.00 0.85 C ATOM 1071 OG1 THR A 70 7.783 5.831 -12.437 1.00 0.97 O ATOM 1072 CG2 THR A 70 8.264 7.040 -10.405 1.00 0.89 C ATOM 0 H THR A 70 4.706 5.635 -11.951 1.00 0.74 H new ATOM 0 HA THR A 70 6.880 4.679 -10.195 1.00 0.68 H new ATOM 0 HB THR A 70 6.564 7.330 -11.656 1.00 0.85 H new ATOM 0 HG1 THR A 70 7.420 4.924 -12.517 1.00 0.97 H new ATOM 0 HG21 THR A 70 8.888 7.740 -10.961 1.00 0.89 H new ATOM 0 HG22 THR A 70 7.806 7.554 -9.560 1.00 0.89 H new ATOM 0 HG23 THR A 70 8.879 6.218 -10.039 1.00 0.89 H new ATOM 1080 N VAL A 71 6.072 5.851 -8.195 1.00 0.56 N ATOM 1081 CA VAL A 71 5.519 6.382 -6.965 1.00 0.58 C ATOM 1082 C VAL A 71 6.525 7.329 -6.332 1.00 0.57 C ATOM 1083 O VAL A 71 7.624 6.918 -5.966 1.00 0.57 O ATOM 1084 CB VAL A 71 5.183 5.255 -5.964 1.00 0.60 C ATOM 1085 CG1 VAL A 71 4.514 5.819 -4.720 1.00 0.68 C ATOM 1086 CG2 VAL A 71 4.305 4.197 -6.622 1.00 0.65 C ATOM 0 H VAL A 71 6.856 5.213 -8.057 1.00 0.56 H new ATOM 0 HA VAL A 71 4.597 6.910 -7.206 1.00 0.58 H new ATOM 0 HB VAL A 71 6.115 4.780 -5.658 1.00 0.60 H new ATOM 0 HG11 VAL A 71 4.287 5.007 -4.029 1.00 0.68 H new ATOM 0 HG12 VAL A 71 5.185 6.529 -4.237 1.00 0.68 H new ATOM 0 HG13 VAL A 71 3.591 6.325 -5.001 1.00 0.68 H new ATOM 0 HG21 VAL A 71 4.079 3.412 -5.901 1.00 0.65 H new ATOM 0 HG22 VAL A 71 3.376 4.655 -6.962 1.00 0.65 H new ATOM 0 HG23 VAL A 71 4.831 3.767 -7.474 1.00 0.65 H new ATOM 1096 N THR A 72 6.154 8.587 -6.201 1.00 0.63 N ATOM 1097 CA THR A 72 7.076 9.594 -5.711 1.00 0.66 C ATOM 1098 C THR A 72 6.775 9.933 -4.255 1.00 0.70 C ATOM 1099 O THR A 72 5.779 10.590 -3.953 1.00 0.78 O ATOM 1100 CB THR A 72 6.992 10.872 -6.563 1.00 0.75 C ATOM 1101 OG1 THR A 72 6.987 10.526 -7.956 1.00 0.76 O ATOM 1102 CG2 THR A 72 8.169 11.794 -6.270 1.00 0.80 C ATOM 0 H THR A 72 5.223 8.937 -6.426 1.00 0.63 H new ATOM 0 HA THR A 72 8.084 9.186 -5.783 1.00 0.66 H new ATOM 0 HB THR A 72 6.069 11.395 -6.312 1.00 0.75 H new ATOM 0 HG1 THR A 72 6.932 11.342 -8.496 1.00 0.76 H new ATOM 0 HG21 THR A 72 8.090 12.692 -6.883 1.00 0.80 H new ATOM 0 HG22 THR A 72 8.159 12.073 -5.216 1.00 0.80 H new ATOM 0 HG23 THR A 72 9.101 11.278 -6.500 1.00 0.80 H new ATOM 1110 N VAL A 73 7.635 9.466 -3.361 1.00 0.70 N ATOM 1111 CA VAL A 73 7.481 9.726 -1.938 1.00 0.76 C ATOM 1112 C VAL A 73 8.236 10.994 -1.565 1.00 0.90 C ATOM 1113 O VAL A 73 9.465 11.051 -1.659 1.00 1.01 O ATOM 1114 CB VAL A 73 7.991 8.542 -1.086 1.00 0.79 C ATOM 1115 CG1 VAL A 73 7.779 8.814 0.396 1.00 0.89 C ATOM 1116 CG2 VAL A 73 7.303 7.251 -1.501 1.00 0.75 C ATOM 0 H VAL A 73 8.451 8.902 -3.599 1.00 0.70 H new ATOM 0 HA VAL A 73 6.419 9.854 -1.731 1.00 0.76 H new ATOM 0 HB VAL A 73 9.061 8.431 -1.260 1.00 0.79 H new ATOM 0 HG11 VAL A 73 8.145 7.968 0.977 1.00 0.89 H new ATOM 0 HG12 VAL A 73 8.324 9.714 0.682 1.00 0.89 H new ATOM 0 HG13 VAL A 73 6.716 8.956 0.591 1.00 0.89 H new ATOM 0 HG21 VAL A 73 7.675 6.428 -0.890 1.00 0.75 H new ATOM 0 HG22 VAL A 73 6.227 7.351 -1.360 1.00 0.75 H new ATOM 0 HG23 VAL A 73 7.514 7.048 -2.551 1.00 0.75 H new ATOM 1126 N THR A 74 7.494 12.014 -1.188 1.00 0.97 N ATOM 1127 CA THR A 74 8.074 13.312 -0.900 1.00 1.15 C ATOM 1128 C THR A 74 7.406 13.961 0.310 1.00 1.11 C ATOM 1129 O THR A 74 6.188 14.140 0.335 1.00 0.99 O ATOM 1130 CB THR A 74 7.938 14.226 -2.134 1.00 1.38 C ATOM 1131 OG1 THR A 74 8.613 13.622 -3.246 1.00 1.87 O ATOM 1132 CG2 THR A 74 8.514 15.607 -1.875 1.00 1.47 C ATOM 0 H THR A 74 6.481 11.970 -1.073 1.00 0.97 H new ATOM 0 HA THR A 74 9.129 13.172 -0.665 1.00 1.15 H new ATOM 0 HB THR A 74 6.877 14.344 -2.355 1.00 1.38 H new ATOM 0 HG1 THR A 74 8.528 14.199 -4.033 1.00 1.87 H new ATOM 0 HG21 THR A 74 8.400 16.222 -2.768 1.00 1.47 H new ATOM 0 HG22 THR A 74 7.984 16.072 -1.043 1.00 1.47 H new ATOM 0 HG23 THR A 74 9.572 15.519 -1.628 1.00 1.47 H new ATOM 1140 N ALA A 75 8.203 14.282 1.323 1.00 1.29 N ATOM 1141 CA ALA A 75 7.708 14.981 2.504 1.00 1.36 C ATOM 1142 C ALA A 75 7.142 16.344 2.124 1.00 1.48 C ATOM 1143 O ALA A 75 7.764 17.101 1.377 1.00 1.72 O ATOM 1144 CB ALA A 75 8.821 15.142 3.530 1.00 1.56 C ATOM 0 H ALA A 75 9.200 14.068 1.350 1.00 1.29 H new ATOM 0 HA ALA A 75 6.908 14.385 2.944 1.00 1.36 H new ATOM 0 HB1 ALA A 75 8.436 15.665 4.405 1.00 1.56 H new ATOM 0 HB2 ALA A 75 9.187 14.159 3.827 1.00 1.56 H new ATOM 0 HB3 ALA A 75 9.638 15.717 3.094 1.00 1.56 H new ATOM 1150 N SER A 76 5.953 16.652 2.626 1.00 1.52 N ATOM 1151 CA SER A 76 5.299 17.914 2.316 1.00 1.75 C ATOM 1152 C SER A 76 4.403 18.358 3.470 1.00 2.24 C ATOM 1153 O SER A 76 3.197 18.112 3.469 1.00 2.81 O ATOM 1154 CB SER A 76 4.483 17.782 1.025 1.00 2.10 C ATOM 1155 OG SER A 76 5.305 17.370 -0.058 1.00 2.68 O ATOM 0 H SER A 76 5.423 16.044 3.250 1.00 1.52 H new ATOM 0 HA SER A 76 6.067 18.674 2.171 1.00 1.75 H new ATOM 0 HB2 SER A 76 3.679 17.060 1.171 1.00 2.10 H new ATOM 0 HB3 SER A 76 4.015 18.737 0.788 1.00 2.10 H new ATOM 0 HG SER A 76 4.762 17.291 -0.870 1.00 2.68 H new ATOM 1161 N ALA A 77 5.010 18.998 4.460 1.00 2.71 N ATOM 1162 CA ALA A 77 4.282 19.494 5.619 1.00 3.56 C ATOM 1163 C ALA A 77 4.775 20.885 5.999 1.00 4.02 C ATOM 1164 O ALA A 77 5.885 21.043 6.508 1.00 4.62 O ATOM 1165 CB ALA A 77 4.435 18.531 6.789 1.00 4.29 C ATOM 0 H ALA A 77 6.012 19.187 4.483 1.00 2.71 H new ATOM 0 HA ALA A 77 3.224 19.563 5.366 1.00 3.56 H new ATOM 0 HB1 ALA A 77 3.886 18.914 7.649 1.00 4.29 H new ATOM 0 HB2 ALA A 77 4.039 17.554 6.511 1.00 4.29 H new ATOM 0 HB3 ALA A 77 5.490 18.435 7.045 1.00 4.29 H new ATOM 1171 N ALA A 78 3.953 21.889 5.732 1.00 4.20 N ATOM 1172 CA ALA A 78 4.302 23.270 6.031 1.00 5.03 C ATOM 1173 C ALA A 78 3.057 24.143 5.990 1.00 5.55 C ATOM 1174 O ALA A 78 1.959 23.644 5.724 1.00 5.99 O ATOM 1175 CB ALA A 78 5.340 23.787 5.042 1.00 5.72 C ATOM 0 H ALA A 78 3.034 21.772 5.306 1.00 4.20 H new ATOM 0 HA ALA A 78 4.731 23.311 7.032 1.00 5.03 H new ATOM 0 HB1 ALA A 78 5.588 24.821 5.282 1.00 5.72 H new ATOM 0 HB2 ALA A 78 6.239 23.174 5.105 1.00 5.72 H new ATOM 0 HB3 ALA A 78 4.936 23.736 4.031 1.00 5.72 H new ATOM 1181 N ALA A 79 3.236 25.436 6.259 1.00 5.86 N ATOM 1182 CA ALA A 79 2.152 26.416 6.194 1.00 6.63 C ATOM 1183 C ALA A 79 1.020 26.072 7.156 1.00 7.15 C ATOM 1184 O ALA A 79 -0.149 26.020 6.768 1.00 7.46 O ATOM 1185 CB ALA A 79 1.629 26.542 4.768 1.00 6.90 C ATOM 0 H ALA A 79 4.136 25.833 6.528 1.00 5.86 H new ATOM 0 HA ALA A 79 2.560 27.379 6.502 1.00 6.63 H new ATOM 0 HB1 ALA A 79 0.823 27.275 4.739 1.00 6.90 H new ATOM 0 HB2 ALA A 79 2.437 26.865 4.111 1.00 6.90 H new ATOM 0 HB3 ALA A 79 1.252 25.576 4.432 1.00 6.90 H new ATOM 1191 N LYS A 80 1.369 25.818 8.406 1.00 7.55 N ATOM 1192 CA LYS A 80 0.376 25.543 9.431 1.00 8.34 C ATOM 1193 C LYS A 80 0.139 26.796 10.269 1.00 8.95 C ATOM 1194 O LYS A 80 1.070 27.569 10.514 1.00 9.25 O ATOM 1195 CB LYS A 80 0.833 24.375 10.313 1.00 8.77 C ATOM 1196 CG LYS A 80 -0.230 23.880 11.289 1.00 9.05 C ATOM 1197 CD LYS A 80 -1.483 23.394 10.568 1.00 9.51 C ATOM 1198 CE LYS A 80 -1.198 22.199 9.669 1.00 10.08 C ATOM 1199 NZ LYS A 80 -2.420 21.751 8.945 1.00 10.73 N ATOM 0 H LYS A 80 2.334 25.796 8.736 1.00 7.55 H new ATOM 0 HA LYS A 80 -0.563 25.260 8.955 1.00 8.34 H new ATOM 0 HB2 LYS A 80 1.137 23.547 9.673 1.00 8.77 H new ATOM 0 HB3 LYS A 80 1.714 24.682 10.877 1.00 8.77 H new ATOM 0 HG2 LYS A 80 0.180 23.069 11.891 1.00 9.05 H new ATOM 0 HG3 LYS A 80 -0.495 24.684 11.975 1.00 9.05 H new ATOM 0 HD2 LYS A 80 -2.241 23.122 11.302 1.00 9.51 H new ATOM 0 HD3 LYS A 80 -1.895 24.207 9.970 1.00 9.51 H new ATOM 0 HE2 LYS A 80 -0.424 22.462 8.948 1.00 10.08 H new ATOM 0 HE3 LYS A 80 -0.808 21.377 10.269 1.00 10.08 H new ATOM 0 HZ1 LYS A 80 -2.187 20.936 8.343 1.00 10.73 H new ATOM 0 HZ2 LYS A 80 -3.150 21.476 9.633 1.00 10.73 H new ATOM 0 HZ3 LYS A 80 -2.777 22.528 8.353 1.00 10.73 H new ATOM 1213 N ASP A 81 -1.111 26.987 10.692 1.00 9.36 N ATOM 1214 CA ASP A 81 -1.521 28.172 11.446 1.00 10.16 C ATOM 1215 C ASP A 81 -1.400 29.422 10.588 1.00 10.60 C ATOM 1216 O ASP A 81 -0.790 30.414 10.988 1.00 11.03 O ATOM 1217 CB ASP A 81 -0.709 28.345 12.736 1.00 10.60 C ATOM 1218 CG ASP A 81 -1.116 27.376 13.824 1.00 11.07 C ATOM 1219 OD1 ASP A 81 -2.171 27.588 14.458 1.00 11.19 O ATOM 1220 OD2 ASP A 81 -0.391 26.382 14.040 1.00 11.50 O ATOM 0 H ASP A 81 -1.868 26.325 10.522 1.00 9.36 H new ATOM 0 HA ASP A 81 -2.564 28.026 11.726 1.00 10.16 H new ATOM 0 HB2 ASP A 81 0.349 28.210 12.514 1.00 10.60 H new ATOM 0 HB3 ASP A 81 -0.830 29.365 13.101 1.00 10.60 H new ATOM 1225 N GLY A 82 -1.992 29.364 9.407 1.00 10.72 N ATOM 1226 CA GLY A 82 -1.966 30.501 8.512 1.00 11.37 C ATOM 1227 C GLY A 82 -3.235 31.319 8.607 1.00 11.77 C ATOM 1228 O GLY A 82 -3.842 31.360 9.702 1.00 12.00 O ATOM 1229 OXT GLY A 82 -3.639 31.917 7.589 1.00 12.03 O ATOM 0 H GLY A 82 -2.491 28.549 9.051 1.00 10.72 H new ATOM 0 HA2 GLY A 82 -1.109 31.131 8.749 1.00 11.37 H new ATOM 0 HA3 GLY A 82 -1.833 30.154 7.487 1.00 11.37 H new TER 1233 GLY A 82