USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 680 hydrogens (1 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 43 GLN : amide:sc= -7.62! C(o=-10!,f=-12!) USER MOD Set 1.2: A 74 MET CE :methyl -170:sc= -2.72 (180deg=-3.01) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 12 GLN : amide:sc= 0.0777 X(o=0.15,f=0) USER MOD Set 3.2: A 14 TYR OH : rot -83:sc= 0.0708 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.102 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 54:sc= 0.00812 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 53:sc= 0.606 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= -1.01 (180deg=-2.51) USER MOD Single : A 30 GLN : amide:sc= -0.527 K(o=-0.53,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.319 (180deg=-0.679) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0721 USER MOD Single : A 36 THR OG1 : rot 170:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0622) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.44 K(o=-2.4,f=-7.4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc=-0.00196 X(o=-0.002,f=-0.002) USER MOD Single : A 70 THR OG1 : rot 98:sc= -1.23! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.147 -0.790 -0.502 1.00 21.13 N ATOM 2 CA MET A 1 3.454 -0.460 -1.889 1.00 25.54 C ATOM 3 C MET A 1 4.204 0.865 -1.979 1.00 53.12 C ATOM 4 O MET A 1 4.369 1.565 -0.980 1.00 61.44 O ATOM 5 CB MET A 1 2.169 -0.391 -2.716 1.00 2.35 C ATOM 6 CG MET A 1 1.736 -1.734 -3.280 1.00 32.15 C ATOM 7 SD MET A 1 1.943 -1.836 -5.068 1.00 24.23 S ATOM 8 CE MET A 1 0.362 -2.522 -5.554 1.00 33.15 C ATOM 0 H1 MET A 1 3.701 -1.621 -0.212 1.00 21.13 H new ATOM 0 H2 MET A 1 3.388 0.017 0.108 1.00 21.13 H new ATOM 0 H3 MET A 1 2.133 -1.001 -0.412 1.00 21.13 H new ATOM 0 HA MET A 1 4.093 -1.246 -2.291 1.00 25.54 H new ATOM 0 HB2 MET A 1 1.368 0.008 -2.094 1.00 2.35 H new ATOM 0 HB3 MET A 1 2.313 0.310 -3.538 1.00 2.35 H new ATOM 0 HG2 MET A 1 2.315 -2.527 -2.805 1.00 32.15 H new ATOM 0 HG3 MET A 1 0.690 -1.909 -3.029 1.00 32.15 H new ATOM 0 HE1 MET A 1 0.336 -2.645 -6.637 1.00 33.15 H new ATOM 0 HE2 MET A 1 0.224 -3.492 -5.076 1.00 33.15 H new ATOM 0 HE3 MET A 1 -0.437 -1.848 -5.246 1.00 33.15 H new ATOM 18 N ALA A 2 4.655 1.204 -3.183 1.00 31.35 N ATOM 19 CA ALA A 2 5.385 2.446 -3.403 1.00 31.00 C ATOM 20 C ALA A 2 4.450 3.557 -3.868 1.00 52.03 C ATOM 21 O ALA A 2 3.426 3.296 -4.501 1.00 52.34 O ATOM 22 CB ALA A 2 6.498 2.231 -4.417 1.00 42.05 C ATOM 0 H ALA A 2 4.527 0.636 -4.020 1.00 31.35 H new ATOM 0 HA ALA A 2 5.827 2.752 -2.455 1.00 31.00 H new ATOM 0 HB1 ALA A 2 7.035 3.167 -4.572 1.00 42.05 H new ATOM 0 HB2 ALA A 2 7.188 1.474 -4.045 1.00 42.05 H new ATOM 0 HB3 ALA A 2 6.070 1.898 -5.362 1.00 42.05 H new ATOM 28 N LEU A 3 4.807 4.796 -3.550 1.00 41.44 N ATOM 29 CA LEU A 3 3.999 5.948 -3.936 1.00 1.33 C ATOM 30 C LEU A 3 4.711 6.783 -4.996 1.00 32.41 C ATOM 31 O LEU A 3 5.704 7.458 -4.726 1.00 23.21 O ATOM 32 CB LEU A 3 3.692 6.813 -2.712 1.00 33.33 C ATOM 33 CG LEU A 3 2.246 6.783 -2.215 1.00 53.54 C ATOM 34 CD1 LEU A 3 2.089 7.650 -0.976 1.00 2.23 C ATOM 35 CD2 LEU A 3 1.296 7.242 -3.312 1.00 51.14 C ATOM 0 H LEU A 3 5.650 5.029 -3.026 1.00 41.44 H new ATOM 0 HA LEU A 3 3.064 5.579 -4.358 1.00 1.33 H new ATOM 0 HB2 LEU A 3 4.342 6.497 -1.896 1.00 33.33 H new ATOM 0 HB3 LEU A 3 3.953 7.845 -2.946 1.00 33.33 H new ATOM 0 HG LEU A 3 1.995 5.756 -1.949 1.00 53.54 H new ATOM 0 HD11 LEU A 3 1.054 7.616 -0.637 1.00 2.23 H new ATOM 0 HD12 LEU A 3 2.742 7.278 -0.186 1.00 2.23 H new ATOM 0 HD13 LEU A 3 2.359 8.679 -1.215 1.00 2.23 H new ATOM 0 HD21 LEU A 3 0.271 7.214 -2.941 1.00 51.14 H new ATOM 0 HD22 LEU A 3 1.547 8.260 -3.608 1.00 51.14 H new ATOM 0 HD23 LEU A 3 1.388 6.580 -4.173 1.00 51.14 H new ATOM 47 N PRO A 4 4.191 6.738 -6.232 1.00 11.25 N ATOM 48 CA PRO A 4 4.759 7.486 -7.357 1.00 2.32 C ATOM 49 C PRO A 4 4.551 8.990 -7.217 1.00 52.42 C ATOM 50 O PRO A 4 3.638 9.438 -6.522 1.00 24.00 O ATOM 51 CB PRO A 4 3.988 6.949 -8.565 1.00 41.52 C ATOM 52 CG PRO A 4 2.696 6.464 -8.005 1.00 12.40 C ATOM 53 CD PRO A 4 3.008 5.955 -6.625 1.00 70.42 C ATOM 0 HA PRO A 4 5.839 7.355 -7.431 1.00 2.32 H new ATOM 0 HB2 PRO A 4 3.829 7.728 -9.311 1.00 41.52 H new ATOM 0 HB3 PRO A 4 4.534 6.144 -9.057 1.00 41.52 H new ATOM 0 HG2 PRO A 4 1.961 7.268 -7.967 1.00 12.40 H new ATOM 0 HG3 PRO A 4 2.273 5.674 -8.626 1.00 12.40 H new ATOM 0 HD2 PRO A 4 2.175 6.114 -5.940 1.00 70.42 H new ATOM 0 HD3 PRO A 4 3.217 4.885 -6.629 1.00 70.42 H new ATOM 61 N ILE A 5 5.401 9.765 -7.882 1.00 42.02 N ATOM 62 CA ILE A 5 5.308 11.219 -7.833 1.00 23.22 C ATOM 63 C ILE A 5 5.826 11.847 -9.122 1.00 61.13 C ATOM 64 O ILE A 5 6.855 11.433 -9.656 1.00 64.35 O ATOM 65 CB ILE A 5 6.098 11.793 -6.642 1.00 41.30 C ATOM 66 CG1 ILE A 5 5.580 11.207 -5.327 1.00 73.34 C ATOM 67 CG2 ILE A 5 6.002 13.312 -6.625 1.00 75.44 C ATOM 68 CD1 ILE A 5 6.226 11.810 -4.100 1.00 53.30 C ATOM 0 H ILE A 5 6.162 9.410 -8.461 1.00 42.02 H new ATOM 0 HA ILE A 5 4.253 11.464 -7.711 1.00 23.22 H new ATOM 0 HB ILE A 5 7.146 11.515 -6.754 1.00 41.30 H new ATOM 0 HG12 ILE A 5 4.502 11.358 -5.271 1.00 73.34 H new ATOM 0 HG13 ILE A 5 5.752 10.131 -5.326 1.00 73.34 H new ATOM 0 HG21 ILE A 5 6.565 13.703 -5.778 1.00 75.44 H new ATOM 0 HG22 ILE A 5 6.414 13.713 -7.551 1.00 75.44 H new ATOM 0 HG23 ILE A 5 4.957 13.610 -6.534 1.00 75.44 H new ATOM 0 HD11 ILE A 5 5.810 11.347 -3.205 1.00 53.30 H new ATOM 0 HD12 ILE A 5 7.302 11.636 -4.132 1.00 53.30 H new ATOM 0 HD13 ILE A 5 6.033 12.882 -4.077 1.00 53.30 H new ATOM 80 N ILE A 6 5.107 12.849 -9.616 1.00 40.20 N ATOM 81 CA ILE A 6 5.496 13.536 -10.841 1.00 54.53 C ATOM 82 C ILE A 6 6.299 14.796 -10.534 1.00 71.31 C ATOM 83 O ILE A 6 5.996 15.523 -9.588 1.00 54.45 O ATOM 84 CB ILE A 6 4.266 13.919 -11.686 1.00 62.25 C ATOM 85 CG1 ILE A 6 3.706 12.686 -12.398 1.00 72.40 C ATOM 86 CG2 ILE A 6 4.631 14.998 -12.694 1.00 43.33 C ATOM 87 CD1 ILE A 6 2.200 12.571 -12.313 1.00 11.01 C ATOM 0 H ILE A 6 4.252 13.203 -9.187 1.00 40.20 H new ATOM 0 HA ILE A 6 6.116 12.842 -11.409 1.00 54.53 H new ATOM 0 HB ILE A 6 3.497 14.314 -11.023 1.00 62.25 H new ATOM 0 HG12 ILE A 6 4.001 12.717 -13.447 1.00 72.40 H new ATOM 0 HG13 ILE A 6 4.156 11.792 -11.966 1.00 72.40 H new ATOM 0 HG21 ILE A 6 3.752 15.258 -13.283 1.00 43.33 H new ATOM 0 HG22 ILE A 6 4.989 15.882 -12.167 1.00 43.33 H new ATOM 0 HG23 ILE A 6 5.415 14.628 -13.355 1.00 43.33 H new ATOM 0 HD11 ILE A 6 1.873 11.674 -12.839 1.00 11.01 H new ATOM 0 HD12 ILE A 6 1.898 12.508 -11.267 1.00 11.01 H new ATOM 0 HD13 ILE A 6 1.742 13.448 -12.771 1.00 11.01 H new ATOM 99 N VAL A 7 7.325 15.048 -11.341 1.00 13.31 N ATOM 100 CA VAL A 7 8.171 16.222 -11.158 1.00 34.43 C ATOM 101 C VAL A 7 8.282 17.025 -12.448 1.00 44.43 C ATOM 102 O VAL A 7 8.700 16.505 -13.483 1.00 74.22 O ATOM 103 CB VAL A 7 9.583 15.827 -10.687 1.00 42.15 C ATOM 104 CG1 VAL A 7 10.250 14.915 -11.706 1.00 10.11 C ATOM 105 CG2 VAL A 7 10.427 17.068 -10.438 1.00 0.02 C ATOM 0 H VAL A 7 7.590 14.455 -12.128 1.00 13.31 H new ATOM 0 HA VAL A 7 7.700 16.837 -10.391 1.00 34.43 H new ATOM 0 HB VAL A 7 9.495 15.280 -9.748 1.00 42.15 H new ATOM 0 HG11 VAL A 7 11.247 14.646 -11.356 1.00 10.11 H new ATOM 0 HG12 VAL A 7 9.653 14.011 -11.831 1.00 10.11 H new ATOM 0 HG13 VAL A 7 10.328 15.433 -12.662 1.00 10.11 H new ATOM 0 HG21 VAL A 7 11.422 16.771 -10.106 1.00 0.02 H new ATOM 0 HG22 VAL A 7 10.509 17.643 -11.360 1.00 0.02 H new ATOM 0 HG23 VAL A 7 9.956 17.680 -9.669 1.00 0.02 H new ATOM 115 N LYS A 8 7.907 18.298 -12.380 1.00 44.24 N ATOM 116 CA LYS A 8 7.967 19.177 -13.543 1.00 34.15 C ATOM 117 C LYS A 8 9.097 20.191 -13.401 1.00 22.02 C ATOM 118 O LYS A 8 9.117 20.984 -12.460 1.00 2.41 O ATOM 119 CB LYS A 8 6.633 19.906 -13.725 1.00 64.31 C ATOM 120 CG LYS A 8 6.256 20.788 -12.547 1.00 62.35 C ATOM 121 CD LYS A 8 4.750 20.856 -12.362 1.00 54.32 C ATOM 122 CE LYS A 8 4.098 21.741 -13.414 1.00 4.42 C ATOM 123 NZ LYS A 8 3.721 23.072 -12.862 1.00 74.02 N ATOM 0 H LYS A 8 7.558 18.744 -11.532 1.00 44.24 H new ATOM 0 HA LYS A 8 8.162 18.563 -14.422 1.00 34.15 H new ATOM 0 HB2 LYS A 8 6.683 20.518 -14.625 1.00 64.31 H new ATOM 0 HB3 LYS A 8 5.845 19.170 -13.884 1.00 64.31 H new ATOM 0 HG2 LYS A 8 6.718 20.401 -11.639 1.00 62.35 H new ATOM 0 HG3 LYS A 8 6.650 21.792 -12.702 1.00 62.35 H new ATOM 0 HD2 LYS A 8 4.330 19.852 -12.419 1.00 54.32 H new ATOM 0 HD3 LYS A 8 4.522 21.242 -11.368 1.00 54.32 H new ATOM 0 HE2 LYS A 8 4.783 21.876 -14.251 1.00 4.42 H new ATOM 0 HE3 LYS A 8 3.210 21.245 -13.806 1.00 4.42 H new ATOM 0 HZ1 LYS A 8 3.280 23.645 -13.609 1.00 74.02 H new ATOM 0 HZ2 LYS A 8 3.047 22.945 -12.080 1.00 74.02 H new ATOM 0 HZ3 LYS A 8 4.572 23.556 -12.511 1.00 74.02 H new ATOM 137 N TRP A 9 10.035 20.160 -14.341 1.00 75.11 N ATOM 138 CA TRP A 9 11.168 21.078 -14.321 1.00 14.10 C ATOM 139 C TRP A 9 11.228 21.896 -15.606 1.00 41.40 C ATOM 140 O TRP A 9 11.688 21.413 -16.640 1.00 11.23 O ATOM 141 CB TRP A 9 12.474 20.305 -14.132 1.00 73.23 C ATOM 142 CG TRP A 9 13.692 21.099 -14.496 1.00 71.51 C ATOM 143 CD1 TRP A 9 14.700 20.715 -15.334 1.00 52.12 C ATOM 144 CD2 TRP A 9 14.031 22.410 -14.032 1.00 35.23 C ATOM 145 NE1 TRP A 9 15.645 21.709 -15.419 1.00 13.24 N ATOM 146 CE2 TRP A 9 15.257 22.760 -14.630 1.00 21.34 C ATOM 147 CE3 TRP A 9 13.416 23.323 -13.171 1.00 3.22 C ATOM 148 CZ2 TRP A 9 15.879 23.983 -14.392 1.00 33.42 C ATOM 149 CZ3 TRP A 9 14.035 24.536 -12.935 1.00 52.34 C ATOM 150 CH2 TRP A 9 15.255 24.858 -13.544 1.00 61.35 C ATOM 0 H TRP A 9 10.033 19.509 -15.126 1.00 75.11 H new ATOM 0 HA TRP A 9 11.035 21.762 -13.483 1.00 14.10 H new ATOM 0 HB2 TRP A 9 12.553 19.988 -13.092 1.00 73.23 H new ATOM 0 HB3 TRP A 9 12.444 19.400 -14.739 1.00 73.23 H new ATOM 0 HD1 TRP A 9 14.747 19.769 -15.853 1.00 52.12 H new ATOM 0 HE1 TRP A 9 16.497 21.671 -15.979 1.00 13.24 H new ATOM 0 HE3 TRP A 9 12.474 23.085 -12.699 1.00 3.22 H new ATOM 0 HZ2 TRP A 9 16.820 24.232 -14.860 1.00 33.42 H new ATOM 0 HZ3 TRP A 9 13.570 25.248 -12.269 1.00 52.34 H new ATOM 0 HH2 TRP A 9 15.712 25.815 -13.340 1.00 61.35 H new ATOM 161 N GLY A 10 10.761 23.139 -15.534 1.00 54.11 N ATOM 162 CA GLY A 10 10.771 24.004 -16.699 1.00 41.22 C ATOM 163 C GLY A 10 9.439 24.018 -17.423 1.00 44.20 C ATOM 164 O GLY A 10 8.617 24.907 -17.207 1.00 52.11 O ATOM 0 H GLY A 10 10.376 23.562 -14.690 1.00 54.11 H new ATOM 0 HA2 GLY A 10 11.025 25.019 -16.392 1.00 41.22 H new ATOM 0 HA3 GLY A 10 11.551 23.674 -17.386 1.00 41.22 H new ATOM 168 N GLY A 11 9.227 23.030 -18.287 1.00 15.01 N ATOM 169 CA GLY A 11 7.984 22.952 -19.033 1.00 44.04 C ATOM 170 C GLY A 11 7.611 21.527 -19.390 1.00 71.10 C ATOM 171 O GLY A 11 6.826 21.297 -20.310 1.00 23.53 O ATOM 0 H GLY A 11 9.893 22.283 -18.484 1.00 15.01 H new ATOM 0 HA2 GLY A 11 7.182 23.398 -18.445 1.00 44.04 H new ATOM 0 HA3 GLY A 11 8.074 23.540 -19.946 1.00 44.04 H new ATOM 175 N GLN A 12 8.175 20.569 -18.662 1.00 22.03 N ATOM 176 CA GLN A 12 7.898 19.159 -18.909 1.00 20.14 C ATOM 177 C GLN A 12 7.503 18.448 -17.619 1.00 35.14 C ATOM 178 O GLN A 12 7.539 19.037 -16.539 1.00 32.32 O ATOM 179 CB GLN A 12 9.120 18.478 -19.526 1.00 65.32 C ATOM 180 CG GLN A 12 9.179 18.590 -21.041 1.00 72.41 C ATOM 181 CD GLN A 12 10.525 18.181 -21.605 1.00 62.22 C ATOM 182 OE1 GLN A 12 10.704 17.050 -22.058 1.00 71.13 O ATOM 183 NE2 GLN A 12 11.482 19.101 -21.581 1.00 12.44 N ATOM 0 H GLN A 12 8.826 20.743 -17.897 1.00 22.03 H new ATOM 0 HA GLN A 12 7.064 19.096 -19.608 1.00 20.14 H new ATOM 0 HB2 GLN A 12 10.023 18.917 -19.102 1.00 65.32 H new ATOM 0 HB3 GLN A 12 9.117 17.424 -19.248 1.00 65.32 H new ATOM 0 HG2 GLN A 12 8.401 17.964 -21.478 1.00 72.41 H new ATOM 0 HG3 GLN A 12 8.964 19.618 -21.334 1.00 72.41 H new ATOM 0 HE21 GLN A 12 11.291 20.026 -21.196 1.00 12.44 H new ATOM 0 HE22 GLN A 12 12.409 18.883 -21.947 1.00 12.44 H new ATOM 192 N GLU A 13 7.125 17.179 -17.740 1.00 11.02 N ATOM 193 CA GLU A 13 6.722 16.389 -16.583 1.00 35.15 C ATOM 194 C GLU A 13 7.405 15.024 -16.590 1.00 53.44 C ATOM 195 O GLU A 13 7.558 14.401 -17.641 1.00 22.00 O ATOM 196 CB GLU A 13 5.202 16.211 -16.564 1.00 31.45 C ATOM 197 CG GLU A 13 4.440 17.507 -16.345 1.00 33.40 C ATOM 198 CD GLU A 13 2.942 17.338 -16.513 1.00 41.11 C ATOM 199 OE1 GLU A 13 2.526 16.685 -17.493 1.00 55.40 O ATOM 200 OE2 GLU A 13 2.187 17.859 -15.666 1.00 20.33 O ATOM 0 H GLU A 13 7.090 16.677 -18.627 1.00 11.02 H new ATOM 0 HA GLU A 13 7.030 16.925 -15.685 1.00 35.15 H new ATOM 0 HB2 GLU A 13 4.885 15.768 -17.508 1.00 31.45 H new ATOM 0 HB3 GLU A 13 4.937 15.506 -15.776 1.00 31.45 H new ATOM 0 HG2 GLU A 13 4.650 17.883 -15.343 1.00 33.40 H new ATOM 0 HG3 GLU A 13 4.798 18.258 -17.049 1.00 33.40 H new ATOM 207 N TYR A 14 7.813 14.567 -15.412 1.00 43.40 N ATOM 208 CA TYR A 14 8.483 13.279 -15.282 1.00 71.35 C ATOM 209 C TYR A 14 7.936 12.498 -14.091 1.00 71.13 C ATOM 210 O TYR A 14 8.023 12.946 -12.948 1.00 61.11 O ATOM 211 CB TYR A 14 9.992 13.478 -15.127 1.00 35.52 C ATOM 212 CG TYR A 14 10.633 14.184 -16.299 1.00 43.14 C ATOM 213 CD1 TYR A 14 10.482 15.554 -16.478 1.00 31.14 C ATOM 214 CD2 TYR A 14 11.390 13.482 -17.229 1.00 40.35 C ATOM 215 CE1 TYR A 14 11.066 16.204 -17.548 1.00 32.22 C ATOM 216 CE2 TYR A 14 11.979 14.124 -18.302 1.00 12.13 C ATOM 217 CZ TYR A 14 11.814 15.485 -18.457 1.00 34.33 C ATOM 218 OH TYR A 14 12.397 16.127 -19.524 1.00 43.53 O ATOM 0 H TYR A 14 7.691 15.070 -14.533 1.00 43.40 H new ATOM 0 HA TYR A 14 8.291 12.705 -16.189 1.00 71.35 H new ATOM 0 HB2 TYR A 14 10.183 14.051 -14.220 1.00 35.52 H new ATOM 0 HB3 TYR A 14 10.467 12.506 -14.996 1.00 35.52 H new ATOM 0 HD1 TYR A 14 9.898 16.120 -15.768 1.00 31.14 H new ATOM 0 HD2 TYR A 14 11.520 12.416 -17.111 1.00 40.35 H new ATOM 0 HE1 TYR A 14 10.938 17.269 -17.672 1.00 32.22 H new ATOM 0 HE2 TYR A 14 12.565 13.563 -19.015 1.00 12.13 H new ATOM 0 HH TYR A 14 11.740 16.227 -20.244 1.00 43.53 H new ATOM 228 N SER A 15 7.372 11.326 -14.369 1.00 2.54 N ATOM 229 CA SER A 15 6.808 10.483 -13.322 1.00 14.05 C ATOM 230 C SER A 15 7.895 9.651 -12.649 1.00 61.42 C ATOM 231 O SER A 15 8.760 9.082 -13.316 1.00 51.52 O ATOM 232 CB SER A 15 5.732 9.564 -13.903 1.00 33.43 C ATOM 233 OG SER A 15 6.279 8.688 -14.873 1.00 61.02 O ATOM 0 H SER A 15 7.294 10.940 -15.310 1.00 2.54 H new ATOM 0 HA SER A 15 6.356 11.132 -12.572 1.00 14.05 H new ATOM 0 HB2 SER A 15 5.273 8.984 -13.102 1.00 33.43 H new ATOM 0 HB3 SER A 15 4.942 10.164 -14.355 1.00 33.43 H new ATOM 0 HG SER A 15 5.572 8.110 -15.228 1.00 61.02 H new ATOM 239 N VAL A 16 7.845 9.583 -11.323 1.00 14.14 N ATOM 240 CA VAL A 16 8.824 8.820 -10.558 1.00 72.31 C ATOM 241 C VAL A 16 8.274 7.451 -10.173 1.00 22.11 C ATOM 242 O VAL A 16 7.209 7.346 -9.563 1.00 63.53 O ATOM 243 CB VAL A 16 9.246 9.569 -9.281 1.00 4.24 C ATOM 244 CG1 VAL A 16 10.216 8.728 -8.464 1.00 51.41 C ATOM 245 CG2 VAL A 16 9.861 10.916 -9.632 1.00 32.30 C ATOM 0 H VAL A 16 7.136 10.048 -10.755 1.00 14.14 H new ATOM 0 HA VAL A 16 9.696 8.691 -11.199 1.00 72.31 H new ATOM 0 HB VAL A 16 8.358 9.747 -8.675 1.00 4.24 H new ATOM 0 HG11 VAL A 16 10.503 9.274 -7.565 1.00 51.41 H new ATOM 0 HG12 VAL A 16 9.736 7.791 -8.182 1.00 51.41 H new ATOM 0 HG13 VAL A 16 11.104 8.516 -9.059 1.00 51.41 H new ATOM 0 HG21 VAL A 16 10.154 11.432 -8.717 1.00 32.30 H new ATOM 0 HG22 VAL A 16 10.739 10.763 -10.259 1.00 32.30 H new ATOM 0 HG23 VAL A 16 9.131 11.520 -10.171 1.00 32.30 H new ATOM 255 N THR A 17 9.008 6.402 -10.532 1.00 50.01 N ATOM 256 CA THR A 17 8.594 5.039 -10.225 1.00 24.31 C ATOM 257 C THR A 17 9.763 4.216 -9.694 1.00 51.12 C ATOM 258 O THR A 17 10.525 3.630 -10.464 1.00 55.24 O ATOM 259 CB THR A 17 8.008 4.337 -11.464 1.00 63.34 C ATOM 260 OG1 THR A 17 8.754 4.701 -12.632 1.00 34.43 O ATOM 261 CG2 THR A 17 6.545 4.707 -11.655 1.00 2.22 C ATOM 0 H THR A 17 9.892 6.471 -11.036 1.00 50.01 H new ATOM 0 HA THR A 17 7.823 5.108 -9.458 1.00 24.31 H new ATOM 0 HB THR A 17 8.077 3.260 -11.310 1.00 63.34 H new ATOM 0 HG1 THR A 17 9.706 4.524 -12.480 1.00 34.43 H new ATOM 0 HG21 THR A 17 6.153 4.199 -12.536 1.00 2.22 H new ATOM 0 HG22 THR A 17 5.975 4.402 -10.777 1.00 2.22 H new ATOM 0 HG23 THR A 17 6.457 5.785 -11.789 1.00 2.22 H new ATOM 269 N THR A 18 9.900 4.175 -8.372 1.00 73.14 N ATOM 270 CA THR A 18 10.976 3.424 -7.738 1.00 51.14 C ATOM 271 C THR A 18 11.001 3.664 -6.233 1.00 71.31 C ATOM 272 O THR A 18 11.422 2.799 -5.463 1.00 50.14 O ATOM 273 CB THR A 18 12.348 3.801 -8.330 1.00 34.35 C ATOM 274 OG1 THR A 18 13.395 3.330 -7.475 1.00 24.42 O ATOM 275 CG2 THR A 18 12.467 5.307 -8.503 1.00 52.23 C ATOM 0 H THR A 18 9.279 4.653 -7.720 1.00 73.14 H new ATOM 0 HA THR A 18 10.782 2.369 -7.931 1.00 51.14 H new ATOM 0 HB THR A 18 12.439 3.331 -9.309 1.00 34.35 H new ATOM 0 HG1 THR A 18 14.264 3.572 -7.858 1.00 24.42 H new ATOM 0 HG21 THR A 18 13.444 5.549 -8.922 1.00 52.23 H new ATOM 0 HG22 THR A 18 11.686 5.659 -9.177 1.00 52.23 H new ATOM 0 HG23 THR A 18 12.357 5.794 -7.534 1.00 52.23 H new ATOM 283 N LEU A 19 10.547 4.841 -5.819 1.00 3.52 N ATOM 284 CA LEU A 19 10.517 5.195 -4.404 1.00 32.23 C ATOM 285 C LEU A 19 9.247 4.672 -3.739 1.00 63.11 C ATOM 286 O LEU A 19 8.203 4.554 -4.380 1.00 12.04 O ATOM 287 CB LEU A 19 10.607 6.712 -4.235 1.00 15.53 C ATOM 288 CG LEU A 19 11.961 7.258 -3.780 1.00 15.31 C ATOM 289 CD1 LEU A 19 12.263 6.816 -2.357 1.00 5.23 C ATOM 290 CD2 LEU A 19 13.063 6.807 -4.727 1.00 31.43 C ATOM 0 H LEU A 19 10.194 5.567 -6.443 1.00 3.52 H new ATOM 0 HA LEU A 19 11.376 4.731 -3.920 1.00 32.23 H new ATOM 0 HB2 LEU A 19 10.350 7.179 -5.186 1.00 15.53 H new ATOM 0 HB3 LEU A 19 9.852 7.022 -3.513 1.00 15.53 H new ATOM 0 HG LEU A 19 11.918 8.347 -3.798 1.00 15.31 H new ATOM 0 HD11 LEU A 19 13.230 7.214 -2.050 1.00 5.23 H new ATOM 0 HD12 LEU A 19 11.488 7.190 -1.688 1.00 5.23 H new ATOM 0 HD13 LEU A 19 12.287 5.727 -2.312 1.00 5.23 H new ATOM 0 HD21 LEU A 19 14.020 7.205 -4.388 1.00 31.43 H new ATOM 0 HD22 LEU A 19 13.107 5.718 -4.741 1.00 31.43 H new ATOM 0 HD23 LEU A 19 12.853 7.175 -5.731 1.00 31.43 H new ATOM 302 N SER A 20 9.345 4.362 -2.450 1.00 71.23 N ATOM 303 CA SER A 20 8.205 3.850 -1.699 1.00 12.12 C ATOM 304 C SER A 20 8.044 4.598 -0.379 1.00 1.31 C ATOM 305 O SER A 20 8.934 5.339 0.039 1.00 72.42 O ATOM 306 CB SER A 20 8.373 2.353 -1.432 1.00 43.12 C ATOM 307 OG SER A 20 9.699 1.933 -1.702 1.00 44.02 O ATOM 0 H SER A 20 10.202 4.456 -1.904 1.00 71.23 H new ATOM 0 HA SER A 20 7.308 4.006 -2.298 1.00 12.12 H new ATOM 0 HB2 SER A 20 8.123 2.135 -0.394 1.00 43.12 H new ATOM 0 HB3 SER A 20 7.676 1.789 -2.052 1.00 43.12 H new ATOM 0 HG SER A 20 10.328 2.499 -1.208 1.00 44.02 H new ATOM 313 N GLU A 21 6.902 4.399 0.272 1.00 23.21 N ATOM 314 CA GLU A 21 6.624 5.055 1.544 1.00 2.21 C ATOM 315 C GLU A 21 7.684 4.699 2.583 1.00 12.30 C ATOM 316 O GLU A 21 7.883 5.426 3.557 1.00 54.24 O ATOM 317 CB GLU A 21 5.238 4.658 2.056 1.00 23.33 C ATOM 318 CG GLU A 21 4.144 4.781 1.009 1.00 21.03 C ATOM 319 CD GLU A 21 2.760 4.538 1.580 1.00 4.42 C ATOM 320 OE1 GLU A 21 2.669 4.008 2.707 1.00 10.23 O ATOM 321 OE2 GLU A 21 1.770 4.878 0.901 1.00 55.15 O ATOM 0 H GLU A 21 6.155 3.789 -0.060 1.00 23.21 H new ATOM 0 HA GLU A 21 6.648 6.132 1.381 1.00 2.21 H new ATOM 0 HB2 GLU A 21 5.273 3.629 2.413 1.00 23.33 H new ATOM 0 HB3 GLU A 21 4.983 5.284 2.911 1.00 23.33 H new ATOM 0 HG2 GLU A 21 4.181 5.776 0.566 1.00 21.03 H new ATOM 0 HG3 GLU A 21 4.332 4.068 0.207 1.00 21.03 H new ATOM 328 N ASP A 22 8.360 3.576 2.369 1.00 42.34 N ATOM 329 CA ASP A 22 9.400 3.123 3.285 1.00 11.13 C ATOM 330 C ASP A 22 10.607 4.055 3.242 1.00 52.13 C ATOM 331 O ASP A 22 11.500 3.971 4.085 1.00 35.23 O ATOM 332 CB ASP A 22 9.829 1.696 2.939 1.00 52.53 C ATOM 333 CG ASP A 22 9.881 0.796 4.157 1.00 62.42 C ATOM 334 OD1 ASP A 22 10.899 0.834 4.880 1.00 70.40 O ATOM 335 OD2 ASP A 22 8.904 0.053 4.388 1.00 42.14 O ATOM 0 H ASP A 22 8.206 2.962 1.569 1.00 42.34 H new ATOM 0 HA ASP A 22 8.990 3.136 4.295 1.00 11.13 H new ATOM 0 HB2 ASP A 22 9.134 1.277 2.211 1.00 52.53 H new ATOM 0 HB3 ASP A 22 10.811 1.719 2.466 1.00 52.53 H new ATOM 340 N ASP A 23 10.627 4.942 2.253 1.00 3.10 N ATOM 341 CA ASP A 23 11.725 5.890 2.099 1.00 14.20 C ATOM 342 C ASP A 23 11.328 7.269 2.617 1.00 53.35 C ATOM 343 O ASP A 23 10.511 7.391 3.530 1.00 31.32 O ATOM 344 CB ASP A 23 12.144 5.984 0.631 1.00 32.21 C ATOM 345 CG ASP A 23 12.226 4.625 -0.035 1.00 60.43 C ATOM 346 OD1 ASP A 23 11.164 4.074 -0.392 1.00 34.24 O ATOM 347 OD2 ASP A 23 13.353 4.111 -0.200 1.00 12.32 O ATOM 0 H ASP A 23 9.896 5.024 1.546 1.00 3.10 H new ATOM 0 HA ASP A 23 12.569 5.530 2.687 1.00 14.20 H new ATOM 0 HB2 ASP A 23 11.431 6.607 0.092 1.00 32.21 H new ATOM 0 HB3 ASP A 23 13.113 6.478 0.564 1.00 32.21 H new ATOM 352 N THR A 24 11.912 8.308 2.027 1.00 23.22 N ATOM 353 CA THR A 24 11.622 9.678 2.430 1.00 51.13 C ATOM 354 C THR A 24 11.444 10.582 1.215 1.00 20.01 C ATOM 355 O THR A 24 11.768 10.199 0.091 1.00 74.22 O ATOM 356 CB THR A 24 12.740 10.250 3.322 1.00 54.41 C ATOM 357 OG1 THR A 24 13.927 9.461 3.187 1.00 35.33 O ATOM 358 CG2 THR A 24 12.306 10.280 4.780 1.00 65.31 C ATOM 0 H THR A 24 12.589 8.226 1.268 1.00 23.22 H new ATOM 0 HA THR A 24 10.692 9.650 2.999 1.00 51.13 H new ATOM 0 HB THR A 24 12.946 11.271 3.000 1.00 54.41 H new ATOM 0 HG1 THR A 24 14.633 9.832 3.756 1.00 35.33 H new ATOM 0 HG21 THR A 24 13.111 10.688 5.391 1.00 65.31 H new ATOM 0 HG22 THR A 24 11.420 10.906 4.883 1.00 65.31 H new ATOM 0 HG23 THR A 24 12.076 9.268 5.112 1.00 65.31 H new ATOM 366 N VAL A 25 10.928 11.785 1.449 1.00 70.54 N ATOM 367 CA VAL A 25 10.709 12.744 0.373 1.00 13.32 C ATOM 368 C VAL A 25 12.026 13.147 -0.281 1.00 13.44 C ATOM 369 O VAL A 25 12.118 13.251 -1.505 1.00 11.15 O ATOM 370 CB VAL A 25 9.995 14.009 0.886 1.00 33.14 C ATOM 371 CG1 VAL A 25 9.906 15.056 -0.214 1.00 21.25 C ATOM 372 CG2 VAL A 25 8.612 13.661 1.416 1.00 54.52 C ATOM 0 H VAL A 25 10.654 12.118 2.373 1.00 70.54 H new ATOM 0 HA VAL A 25 10.076 12.252 -0.365 1.00 13.32 H new ATOM 0 HB VAL A 25 10.579 14.428 1.706 1.00 33.14 H new ATOM 0 HG11 VAL A 25 9.399 15.942 0.167 1.00 21.25 H new ATOM 0 HG12 VAL A 25 10.910 15.326 -0.542 1.00 21.25 H new ATOM 0 HG13 VAL A 25 9.346 14.651 -1.057 1.00 21.25 H new ATOM 0 HG21 VAL A 25 8.121 14.566 1.774 1.00 54.52 H new ATOM 0 HG22 VAL A 25 8.017 13.218 0.617 1.00 54.52 H new ATOM 0 HG23 VAL A 25 8.705 12.950 2.237 1.00 54.52 H new ATOM 382 N LEU A 26 13.043 13.373 0.543 1.00 44.44 N ATOM 383 CA LEU A 26 14.358 13.765 0.045 1.00 54.11 C ATOM 384 C LEU A 26 14.949 12.677 -0.846 1.00 1.14 C ATOM 385 O LEU A 26 15.732 12.961 -1.752 1.00 70.34 O ATOM 386 CB LEU A 26 15.302 14.053 1.213 1.00 1.22 C ATOM 387 CG LEU A 26 16.255 12.922 1.601 1.00 61.14 C ATOM 388 CD1 LEU A 26 17.533 12.995 0.779 1.00 54.12 C ATOM 389 CD2 LEU A 26 16.572 12.977 3.088 1.00 13.10 C ATOM 0 H LEU A 26 12.983 13.292 1.558 1.00 44.44 H new ATOM 0 HA LEU A 26 14.239 14.671 -0.550 1.00 54.11 H new ATOM 0 HB2 LEU A 26 15.896 14.933 0.965 1.00 1.22 H new ATOM 0 HB3 LEU A 26 14.701 14.310 2.085 1.00 1.22 H new ATOM 0 HG LEU A 26 15.765 11.972 1.390 1.00 61.14 H new ATOM 0 HD11 LEU A 26 18.199 12.182 1.069 1.00 54.12 H new ATOM 0 HD12 LEU A 26 17.290 12.905 -0.280 1.00 54.12 H new ATOM 0 HD13 LEU A 26 18.027 13.950 0.958 1.00 54.12 H new ATOM 0 HD21 LEU A 26 17.251 12.165 3.345 1.00 13.10 H new ATOM 0 HD22 LEU A 26 17.042 13.932 3.325 1.00 13.10 H new ATOM 0 HD23 LEU A 26 15.650 12.874 3.661 1.00 13.10 H new ATOM 401 N ASP A 27 14.568 11.432 -0.582 1.00 51.10 N ATOM 402 CA ASP A 27 15.058 10.301 -1.362 1.00 13.24 C ATOM 403 C ASP A 27 14.436 10.291 -2.755 1.00 12.34 C ATOM 404 O ASP A 27 15.068 9.872 -3.725 1.00 52.44 O ATOM 405 CB ASP A 27 14.749 8.987 -0.643 1.00 25.04 C ATOM 406 CG ASP A 27 15.914 8.018 -0.684 1.00 24.45 C ATOM 407 OD1 ASP A 27 16.539 7.887 -1.757 1.00 23.35 O ATOM 408 OD2 ASP A 27 16.201 7.389 0.357 1.00 13.23 O ATOM 0 H ASP A 27 13.922 11.180 0.166 1.00 51.10 H new ATOM 0 HA ASP A 27 16.138 10.404 -1.467 1.00 13.24 H new ATOM 0 HB2 ASP A 27 14.490 9.196 0.395 1.00 25.04 H new ATOM 0 HB3 ASP A 27 13.876 8.522 -1.101 1.00 25.04 H new ATOM 413 N LEU A 28 13.194 10.754 -2.846 1.00 11.14 N ATOM 414 CA LEU A 28 12.485 10.798 -4.120 1.00 22.21 C ATOM 415 C LEU A 28 12.908 12.015 -4.937 1.00 31.24 C ATOM 416 O LEU A 28 13.231 11.901 -6.119 1.00 53.03 O ATOM 417 CB LEU A 28 10.974 10.827 -3.885 1.00 0.02 C ATOM 418 CG LEU A 28 10.108 10.276 -5.018 1.00 34.01 C ATOM 419 CD1 LEU A 28 8.974 9.430 -4.460 1.00 32.02 C ATOM 420 CD2 LEU A 28 9.559 11.411 -5.870 1.00 41.02 C ATOM 0 H LEU A 28 12.657 11.104 -2.053 1.00 11.14 H new ATOM 0 HA LEU A 28 12.742 9.900 -4.681 1.00 22.21 H new ATOM 0 HB2 LEU A 28 10.756 10.260 -2.980 1.00 0.02 H new ATOM 0 HB3 LEU A 28 10.676 11.858 -3.695 1.00 0.02 H new ATOM 0 HG LEU A 28 10.730 9.642 -5.650 1.00 34.01 H new ATOM 0 HD11 LEU A 28 8.368 9.046 -5.281 1.00 32.02 H new ATOM 0 HD12 LEU A 28 9.387 8.596 -3.893 1.00 32.02 H new ATOM 0 HD13 LEU A 28 8.353 10.041 -3.805 1.00 32.02 H new ATOM 0 HD21 LEU A 28 8.945 11.000 -6.671 1.00 41.02 H new ATOM 0 HD22 LEU A 28 8.952 12.071 -5.250 1.00 41.02 H new ATOM 0 HD23 LEU A 28 10.386 11.976 -6.300 1.00 41.02 H new ATOM 432 N LYS A 29 12.906 13.180 -4.297 1.00 72.43 N ATOM 433 CA LYS A 29 13.292 14.418 -4.962 1.00 1.50 C ATOM 434 C LYS A 29 14.740 14.352 -5.437 1.00 41.32 C ATOM 435 O LYS A 29 15.024 14.546 -6.619 1.00 33.11 O ATOM 436 CB LYS A 29 13.108 15.608 -4.016 1.00 64.53 C ATOM 437 CG LYS A 29 11.763 16.298 -4.161 1.00 63.14 C ATOM 438 CD LYS A 29 10.720 15.685 -3.243 1.00 33.51 C ATOM 439 CE LYS A 29 9.880 14.645 -3.969 1.00 61.22 C ATOM 440 NZ LYS A 29 8.444 15.035 -4.030 1.00 3.22 N ATOM 0 H LYS A 29 12.641 13.292 -3.318 1.00 72.43 H new ATOM 0 HA LYS A 29 12.648 14.550 -5.832 1.00 1.50 H new ATOM 0 HB2 LYS A 29 13.222 15.265 -2.988 1.00 64.53 H new ATOM 0 HB3 LYS A 29 13.901 16.333 -4.200 1.00 64.53 H new ATOM 0 HG2 LYS A 29 11.871 17.359 -3.934 1.00 63.14 H new ATOM 0 HG3 LYS A 29 11.426 16.226 -5.195 1.00 63.14 H new ATOM 0 HD2 LYS A 29 11.213 15.223 -2.388 1.00 33.51 H new ATOM 0 HD3 LYS A 29 10.072 16.469 -2.852 1.00 33.51 H new ATOM 0 HE2 LYS A 29 10.263 14.511 -4.981 1.00 61.22 H new ATOM 0 HE3 LYS A 29 9.974 13.684 -3.463 1.00 61.22 H new ATOM 0 HZ1 LYS A 29 8.035 14.715 -4.931 1.00 3.22 H new ATOM 0 HZ2 LYS A 29 7.931 14.593 -3.241 1.00 3.22 H new ATOM 0 HZ3 LYS A 29 8.362 16.069 -3.961 1.00 3.22 H new ATOM 454 N GLN A 30 15.651 14.076 -4.509 1.00 53.41 N ATOM 455 CA GLN A 30 17.069 13.984 -4.835 1.00 11.11 C ATOM 456 C GLN A 30 17.314 12.926 -5.905 1.00 72.33 C ATOM 457 O GLN A 30 18.323 12.962 -6.609 1.00 41.15 O ATOM 458 CB GLN A 30 17.881 13.656 -3.581 1.00 45.11 C ATOM 459 CG GLN A 30 17.988 12.166 -3.298 1.00 12.44 C ATOM 460 CD GLN A 30 19.236 11.546 -3.894 1.00 1.42 C ATOM 461 OE1 GLN A 30 19.160 10.735 -4.817 1.00 21.12 O ATOM 462 NE2 GLN A 30 20.395 11.926 -3.368 1.00 50.34 N ATOM 0 H GLN A 30 15.432 13.912 -3.526 1.00 53.41 H new ATOM 0 HA GLN A 30 17.390 14.950 -5.225 1.00 11.11 H new ATOM 0 HB2 GLN A 30 18.884 14.070 -3.689 1.00 45.11 H new ATOM 0 HB3 GLN A 30 17.424 14.148 -2.723 1.00 45.11 H new ATOM 0 HG2 GLN A 30 17.986 12.004 -2.220 1.00 12.44 H new ATOM 0 HG3 GLN A 30 17.109 11.660 -3.698 1.00 12.44 H new ATOM 0 HE21 GLN A 30 20.411 12.601 -2.604 1.00 50.34 H new ATOM 0 HE22 GLN A 30 21.269 11.543 -3.729 1.00 50.34 H new ATOM 471 N PHE A 31 16.384 11.983 -6.022 1.00 42.32 N ATOM 472 CA PHE A 31 16.500 10.913 -7.006 1.00 52.32 C ATOM 473 C PHE A 31 16.129 11.413 -8.399 1.00 44.24 C ATOM 474 O PHE A 31 16.910 11.289 -9.344 1.00 3.50 O ATOM 475 CB PHE A 31 15.602 9.736 -6.619 1.00 10.41 C ATOM 476 CG PHE A 31 15.498 8.685 -7.687 1.00 21.05 C ATOM 477 CD1 PHE A 31 14.518 8.764 -8.663 1.00 11.35 C ATOM 478 CD2 PHE A 31 16.380 7.617 -7.714 1.00 24.03 C ATOM 479 CE1 PHE A 31 14.420 7.799 -9.647 1.00 32.33 C ATOM 480 CE2 PHE A 31 16.287 6.649 -8.695 1.00 64.34 C ATOM 481 CZ PHE A 31 15.305 6.739 -9.662 1.00 62.14 C ATOM 0 H PHE A 31 15.542 11.938 -5.448 1.00 42.32 H new ATOM 0 HA PHE A 31 17.538 10.580 -7.023 1.00 52.32 H new ATOM 0 HB2 PHE A 31 15.988 9.279 -5.707 1.00 10.41 H new ATOM 0 HB3 PHE A 31 14.604 10.110 -6.390 1.00 10.41 H new ATOM 0 HD1 PHE A 31 13.822 9.590 -8.655 1.00 11.35 H new ATOM 0 HD2 PHE A 31 17.149 7.540 -6.960 1.00 24.03 H new ATOM 0 HE1 PHE A 31 13.653 7.874 -10.403 1.00 32.33 H new ATOM 0 HE2 PHE A 31 16.982 5.822 -8.706 1.00 64.34 H new ATOM 0 HZ PHE A 31 15.229 5.982 -10.428 1.00 62.14 H new ATOM 491 N LEU A 32 14.933 11.978 -8.520 1.00 30.30 N ATOM 492 CA LEU A 32 14.457 12.497 -9.798 1.00 20.44 C ATOM 493 C LEU A 32 15.272 13.711 -10.230 1.00 4.11 C ATOM 494 O LEU A 32 15.628 13.849 -11.401 1.00 11.35 O ATOM 495 CB LEU A 32 12.977 12.871 -9.699 1.00 60.41 C ATOM 496 CG LEU A 32 12.591 13.784 -8.535 1.00 25.32 C ATOM 497 CD1 LEU A 32 12.618 15.241 -8.968 1.00 52.21 C ATOM 498 CD2 LEU A 32 11.218 13.410 -7.996 1.00 41.23 C ATOM 0 H LEU A 32 14.275 12.089 -7.749 1.00 30.30 H new ATOM 0 HA LEU A 32 14.579 11.715 -10.548 1.00 20.44 H new ATOM 0 HB2 LEU A 32 12.683 13.358 -10.629 1.00 60.41 H new ATOM 0 HB3 LEU A 32 12.395 11.952 -9.622 1.00 60.41 H new ATOM 0 HG LEU A 32 13.321 13.651 -7.736 1.00 25.32 H new ATOM 0 HD11 LEU A 32 12.341 15.876 -8.127 1.00 52.21 H new ATOM 0 HD12 LEU A 32 13.621 15.502 -9.304 1.00 52.21 H new ATOM 0 HD13 LEU A 32 11.911 15.391 -9.784 1.00 52.21 H new ATOM 0 HD21 LEU A 32 10.960 14.070 -7.168 1.00 41.23 H new ATOM 0 HD22 LEU A 32 10.476 13.513 -8.788 1.00 41.23 H new ATOM 0 HD23 LEU A 32 11.233 12.378 -7.646 1.00 41.23 H new ATOM 510 N LYS A 33 15.568 14.589 -9.277 1.00 33.41 N ATOM 511 CA LYS A 33 16.345 15.790 -9.557 1.00 15.32 C ATOM 512 C LYS A 33 17.671 15.438 -10.222 1.00 4.04 C ATOM 513 O LYS A 33 18.229 16.233 -10.979 1.00 22.01 O ATOM 514 CB LYS A 33 16.600 16.570 -8.265 1.00 24.53 C ATOM 515 CG LYS A 33 18.053 16.971 -8.074 1.00 53.10 C ATOM 516 CD LYS A 33 18.869 15.841 -7.469 1.00 51.13 C ATOM 517 CE LYS A 33 20.292 15.833 -8.006 1.00 22.53 C ATOM 518 NZ LYS A 33 21.278 16.248 -6.970 1.00 30.34 N ATOM 0 H LYS A 33 15.281 14.491 -8.303 1.00 33.41 H new ATOM 0 HA LYS A 33 15.770 16.413 -10.242 1.00 15.32 H new ATOM 0 HB2 LYS A 33 15.981 17.467 -8.264 1.00 24.53 H new ATOM 0 HB3 LYS A 33 16.284 15.964 -7.416 1.00 24.53 H new ATOM 0 HG2 LYS A 33 18.482 17.257 -9.035 1.00 53.10 H new ATOM 0 HG3 LYS A 33 18.108 17.847 -7.428 1.00 53.10 H new ATOM 0 HD2 LYS A 33 18.889 15.945 -6.384 1.00 51.13 H new ATOM 0 HD3 LYS A 33 18.390 14.887 -7.689 1.00 51.13 H new ATOM 0 HE2 LYS A 33 20.540 14.833 -8.363 1.00 22.53 H new ATOM 0 HE3 LYS A 33 20.361 16.504 -8.862 1.00 22.53 H new ATOM 0 HZ1 LYS A 33 22.180 16.492 -7.427 1.00 30.34 H new ATOM 0 HZ2 LYS A 33 20.915 17.077 -6.457 1.00 30.34 H new ATOM 0 HZ3 LYS A 33 21.429 15.466 -6.301 1.00 30.34 H new ATOM 532 N THR A 34 18.172 14.240 -9.935 1.00 3.32 N ATOM 533 CA THR A 34 19.433 13.783 -10.505 1.00 21.30 C ATOM 534 C THR A 34 19.243 13.288 -11.934 1.00 72.31 C ATOM 535 O THR A 34 20.185 13.274 -12.728 1.00 34.21 O ATOM 536 CB THR A 34 20.054 12.654 -9.661 1.00 63.31 C ATOM 537 OG1 THR A 34 21.466 12.859 -9.532 1.00 34.54 O ATOM 538 CG2 THR A 34 19.790 11.296 -10.295 1.00 12.31 C ATOM 0 H THR A 34 17.723 13.569 -9.311 1.00 3.32 H new ATOM 0 HA THR A 34 20.108 14.639 -10.507 1.00 21.30 H new ATOM 0 HB THR A 34 19.592 12.672 -8.674 1.00 63.31 H new ATOM 0 HG1 THR A 34 21.853 12.138 -8.993 1.00 34.54 H new ATOM 0 HG21 THR A 34 20.238 10.515 -9.681 1.00 12.31 H new ATOM 0 HG22 THR A 34 18.715 11.130 -10.366 1.00 12.31 H new ATOM 0 HG23 THR A 34 20.228 11.269 -11.293 1.00 12.31 H new ATOM 546 N LEU A 35 18.020 12.883 -12.257 1.00 35.42 N ATOM 547 CA LEU A 35 17.705 12.387 -13.592 1.00 41.14 C ATOM 548 C LEU A 35 17.592 13.538 -14.587 1.00 75.44 C ATOM 549 O LEU A 35 18.325 13.594 -15.575 1.00 50.01 O ATOM 550 CB LEU A 35 16.401 11.589 -13.568 1.00 34.45 C ATOM 551 CG LEU A 35 16.213 10.646 -12.378 1.00 11.40 C ATOM 552 CD1 LEU A 35 14.852 9.972 -12.441 1.00 75.41 C ATOM 553 CD2 LEU A 35 17.324 9.607 -12.340 1.00 40.32 C ATOM 0 H LEU A 35 17.230 12.888 -11.612 1.00 35.42 H new ATOM 0 HA LEU A 35 18.517 11.733 -13.910 1.00 41.14 H new ATOM 0 HB2 LEU A 35 15.568 12.292 -13.584 1.00 34.45 H new ATOM 0 HB3 LEU A 35 16.341 11.002 -14.484 1.00 34.45 H new ATOM 0 HG LEU A 35 16.262 11.234 -11.462 1.00 11.40 H new ATOM 0 HD11 LEU A 35 14.736 9.305 -11.587 1.00 75.41 H new ATOM 0 HD12 LEU A 35 14.069 10.730 -12.418 1.00 75.41 H new ATOM 0 HD13 LEU A 35 14.773 9.397 -13.363 1.00 75.41 H new ATOM 0 HD21 LEU A 35 17.174 8.945 -11.487 1.00 40.32 H new ATOM 0 HD22 LEU A 35 17.308 9.023 -13.260 1.00 40.32 H new ATOM 0 HD23 LEU A 35 18.287 10.108 -12.245 1.00 40.32 H new ATOM 565 N THR A 36 16.668 14.456 -14.320 1.00 22.04 N ATOM 566 CA THR A 36 16.459 15.606 -15.190 1.00 61.01 C ATOM 567 C THR A 36 16.313 16.889 -14.380 1.00 43.23 C ATOM 568 O THR A 36 16.631 17.977 -14.860 1.00 21.34 O ATOM 569 CB THR A 36 15.209 15.424 -16.071 1.00 71.43 C ATOM 570 OG1 THR A 36 14.962 16.616 -16.824 1.00 52.30 O ATOM 571 CG2 THR A 36 13.991 15.093 -15.221 1.00 64.13 C ATOM 0 H THR A 36 16.052 14.425 -13.507 1.00 22.04 H new ATOM 0 HA THR A 36 17.338 15.682 -15.830 1.00 61.01 H new ATOM 0 HB THR A 36 15.391 14.595 -16.755 1.00 71.43 H new ATOM 0 HG1 THR A 36 14.270 16.441 -17.495 1.00 52.30 H new ATOM 0 HG21 THR A 36 13.121 14.969 -15.865 1.00 64.13 H new ATOM 0 HG22 THR A 36 14.171 14.169 -14.672 1.00 64.13 H new ATOM 0 HG23 THR A 36 13.808 15.904 -14.516 1.00 64.13 H new ATOM 579 N GLY A 37 15.831 16.755 -13.149 1.00 33.14 N ATOM 580 CA GLY A 37 15.652 17.912 -12.292 1.00 11.34 C ATOM 581 C GLY A 37 16.965 18.583 -11.942 1.00 25.04 C ATOM 582 O GLY A 37 18.022 18.194 -12.440 1.00 53.34 O ATOM 0 H GLY A 37 15.561 15.865 -12.729 1.00 33.14 H new ATOM 0 HA2 GLY A 37 15.001 18.631 -12.789 1.00 11.34 H new ATOM 0 HA3 GLY A 37 15.148 17.607 -11.375 1.00 11.34 H new ATOM 586 N VAL A 38 16.901 19.595 -11.082 1.00 51.13 N ATOM 587 CA VAL A 38 18.094 20.322 -10.666 1.00 43.24 C ATOM 588 C VAL A 38 18.401 20.079 -9.193 1.00 34.31 C ATOM 589 O VAL A 38 17.493 20.004 -8.363 1.00 5.21 O ATOM 590 CB VAL A 38 17.940 21.836 -10.904 1.00 45.21 C ATOM 591 CG1 VAL A 38 16.553 22.303 -10.492 1.00 52.21 C ATOM 592 CG2 VAL A 38 19.016 22.605 -10.152 1.00 0.23 C ATOM 0 H VAL A 38 16.035 19.930 -10.660 1.00 51.13 H new ATOM 0 HA VAL A 38 18.919 19.948 -11.272 1.00 43.24 H new ATOM 0 HB VAL A 38 18.062 22.033 -11.969 1.00 45.21 H new ATOM 0 HG11 VAL A 38 16.463 23.375 -10.667 1.00 52.21 H new ATOM 0 HG12 VAL A 38 15.802 21.775 -11.079 1.00 52.21 H new ATOM 0 HG13 VAL A 38 16.398 22.094 -9.433 1.00 52.21 H new ATOM 0 HG21 VAL A 38 18.892 23.673 -10.331 1.00 0.23 H new ATOM 0 HG22 VAL A 38 18.928 22.404 -9.084 1.00 0.23 H new ATOM 0 HG23 VAL A 38 19.999 22.290 -10.501 1.00 0.23 H new ATOM 602 N LEU A 39 19.684 19.956 -8.874 1.00 22.32 N ATOM 603 CA LEU A 39 20.112 19.721 -7.499 1.00 14.02 C ATOM 604 C LEU A 39 19.599 20.821 -6.574 1.00 63.41 C ATOM 605 O LEU A 39 19.421 21.971 -6.976 1.00 25.32 O ATOM 606 CB LEU A 39 21.638 19.646 -7.424 1.00 74.01 C ATOM 607 CG LEU A 39 22.402 20.545 -8.397 1.00 23.25 C ATOM 608 CD1 LEU A 39 22.437 19.923 -9.784 1.00 33.32 C ATOM 609 CD2 LEU A 39 21.776 21.931 -8.447 1.00 33.31 C ATOM 0 H LEU A 39 20.447 20.015 -9.549 1.00 22.32 H new ATOM 0 HA LEU A 39 19.692 18.770 -7.171 1.00 14.02 H new ATOM 0 HB2 LEU A 39 21.945 19.899 -6.409 1.00 74.01 H new ATOM 0 HB3 LEU A 39 21.940 18.614 -7.600 1.00 74.01 H new ATOM 0 HG LEU A 39 23.427 20.644 -8.040 1.00 23.25 H new ATOM 0 HD11 LEU A 39 22.985 20.577 -10.462 1.00 33.32 H new ATOM 0 HD12 LEU A 39 22.933 18.953 -9.736 1.00 33.32 H new ATOM 0 HD13 LEU A 39 21.419 19.792 -10.150 1.00 33.32 H new ATOM 0 HD21 LEU A 39 22.333 22.557 -9.144 1.00 33.31 H new ATOM 0 HD22 LEU A 39 20.741 21.851 -8.778 1.00 33.31 H new ATOM 0 HD23 LEU A 39 21.805 22.380 -7.454 1.00 33.31 H new ATOM 621 N PRO A 40 19.358 20.462 -5.305 1.00 32.55 N ATOM 622 CA PRO A 40 18.865 21.404 -4.295 1.00 63.14 C ATOM 623 C PRO A 40 19.916 22.438 -3.906 1.00 42.02 C ATOM 624 O PRO A 40 19.587 23.508 -3.396 1.00 50.32 O ATOM 625 CB PRO A 40 18.533 20.504 -3.102 1.00 53.34 C ATOM 626 CG PRO A 40 19.407 19.310 -3.273 1.00 3.42 C ATOM 627 CD PRO A 40 19.547 19.108 -4.756 1.00 44.12 C ATOM 0 HA PRO A 40 18.016 21.984 -4.658 1.00 63.14 H new ATOM 0 HB2 PRO A 40 18.733 21.009 -2.157 1.00 53.34 H new ATOM 0 HB3 PRO A 40 17.479 20.226 -3.097 1.00 53.34 H new ATOM 0 HG2 PRO A 40 20.380 19.469 -2.807 1.00 3.42 H new ATOM 0 HG3 PRO A 40 18.966 18.433 -2.800 1.00 3.42 H new ATOM 0 HD2 PRO A 40 20.525 18.702 -5.016 1.00 44.12 H new ATOM 0 HD3 PRO A 40 18.801 18.412 -5.139 1.00 44.12 H new ATOM 635 N GLU A 41 21.181 22.111 -4.151 1.00 22.43 N ATOM 636 CA GLU A 41 22.280 23.012 -3.825 1.00 13.43 C ATOM 637 C GLU A 41 22.076 24.376 -4.479 1.00 5.13 C ATOM 638 O GLU A 41 22.363 25.413 -3.879 1.00 61.44 O ATOM 639 CB GLU A 41 23.613 22.412 -4.276 1.00 31.14 C ATOM 640 CG GLU A 41 24.792 23.356 -4.112 1.00 21.15 C ATOM 641 CD GLU A 41 26.016 22.666 -3.541 1.00 44.42 C ATOM 642 OE1 GLU A 41 26.769 22.051 -4.325 1.00 71.21 O ATOM 643 OE2 GLU A 41 26.222 22.742 -2.312 1.00 12.01 O ATOM 0 H GLU A 41 21.470 21.229 -4.574 1.00 22.43 H new ATOM 0 HA GLU A 41 22.298 23.145 -2.743 1.00 13.43 H new ATOM 0 HB2 GLU A 41 23.804 21.503 -3.706 1.00 31.14 H new ATOM 0 HB3 GLU A 41 23.535 22.121 -5.323 1.00 31.14 H new ATOM 0 HG2 GLU A 41 25.043 23.790 -5.080 1.00 21.15 H new ATOM 0 HG3 GLU A 41 24.505 24.179 -3.458 1.00 21.15 H new ATOM 650 N ARG A 42 21.581 24.366 -5.712 1.00 14.43 N ATOM 651 CA ARG A 42 21.341 25.601 -6.448 1.00 54.43 C ATOM 652 C ARG A 42 19.852 25.933 -6.483 1.00 14.21 C ATOM 653 O ARG A 42 19.460 27.090 -6.327 1.00 24.51 O ATOM 654 CB ARG A 42 21.881 25.483 -7.875 1.00 32.24 C ATOM 655 CG ARG A 42 23.320 25.950 -8.022 1.00 32.54 C ATOM 656 CD ARG A 42 24.258 24.785 -8.296 1.00 60.40 C ATOM 657 NE ARG A 42 25.616 25.233 -8.590 1.00 4.31 N ATOM 658 CZ ARG A 42 25.967 25.815 -9.731 1.00 44.14 C ATOM 659 NH1 ARG A 42 25.065 26.018 -10.681 1.00 34.10 N ATOM 660 NH2 ARG A 42 27.224 26.196 -9.924 1.00 72.25 N ATOM 0 H ARG A 42 21.338 23.517 -6.222 1.00 14.43 H new ATOM 0 HA ARG A 42 21.864 26.408 -5.934 1.00 54.43 H new ATOM 0 HB2 ARG A 42 21.811 24.444 -8.196 1.00 32.24 H new ATOM 0 HB3 ARG A 42 21.248 26.067 -8.543 1.00 32.24 H new ATOM 0 HG2 ARG A 42 23.388 26.672 -8.835 1.00 32.54 H new ATOM 0 HG3 ARG A 42 23.632 26.464 -7.113 1.00 32.54 H new ATOM 0 HD2 ARG A 42 24.274 24.122 -7.431 1.00 60.40 H new ATOM 0 HD3 ARG A 42 23.878 24.204 -9.136 1.00 60.40 H new ATOM 0 HE ARG A 42 26.335 25.091 -7.880 1.00 4.31 H new ATOM 0 HH11 ARG A 42 24.098 25.727 -10.537 1.00 34.10 H new ATOM 0 HH12 ARG A 42 25.338 26.465 -11.556 1.00 34.10 H new ATOM 0 HH21 ARG A 42 27.921 26.042 -9.196 1.00 72.25 H new ATOM 0 HH22 ARG A 42 27.493 26.643 -10.801 1.00 72.25 H new ATOM 674 N GLN A 43 19.027 24.911 -6.689 1.00 25.12 N ATOM 675 CA GLN A 43 17.582 25.095 -6.745 1.00 61.11 C ATOM 676 C GLN A 43 16.943 24.799 -5.392 1.00 54.34 C ATOM 677 O GLN A 43 17.519 24.098 -4.561 1.00 5.33 O ATOM 678 CB GLN A 43 16.973 24.192 -7.819 1.00 22.52 C ATOM 679 CG GLN A 43 16.813 22.745 -7.378 1.00 0.50 C ATOM 680 CD GLN A 43 15.361 22.341 -7.219 1.00 54.25 C ATOM 681 OE1 GLN A 43 14.978 21.216 -7.543 1.00 45.21 O ATOM 682 NE2 GLN A 43 14.542 23.259 -6.719 1.00 34.21 N ATOM 0 H GLN A 43 19.335 23.947 -6.820 1.00 25.12 H new ATOM 0 HA GLN A 43 17.383 26.136 -7.000 1.00 61.11 H new ATOM 0 HB2 GLN A 43 15.998 24.587 -8.103 1.00 22.52 H new ATOM 0 HB3 GLN A 43 17.602 24.225 -8.709 1.00 22.52 H new ATOM 0 HG2 GLN A 43 17.290 22.092 -8.108 1.00 0.50 H new ATOM 0 HG3 GLN A 43 17.333 22.598 -6.431 1.00 0.50 H new ATOM 0 HE21 GLN A 43 14.902 24.179 -6.464 1.00 34.21 H new ATOM 0 HE22 GLN A 43 13.553 23.044 -6.590 1.00 34.21 H new ATOM 691 N LYS A 44 15.747 25.338 -5.178 1.00 43.52 N ATOM 692 CA LYS A 44 15.028 25.132 -3.927 1.00 14.51 C ATOM 693 C LYS A 44 13.593 24.686 -4.191 1.00 64.44 C ATOM 694 O LYS A 44 12.951 25.150 -5.134 1.00 44.34 O ATOM 695 CB LYS A 44 15.028 26.418 -3.097 1.00 53.30 C ATOM 696 CG LYS A 44 13.934 27.396 -3.491 1.00 3.33 C ATOM 697 CD LYS A 44 14.107 27.879 -4.921 1.00 55.02 C ATOM 698 CE LYS A 44 13.800 29.363 -5.049 1.00 52.33 C ATOM 699 NZ LYS A 44 14.655 30.020 -6.077 1.00 32.32 N ATOM 0 H LYS A 44 15.256 25.921 -5.856 1.00 43.52 H new ATOM 0 HA LYS A 44 15.538 24.346 -3.369 1.00 14.51 H new ATOM 0 HB2 LYS A 44 14.912 26.161 -2.044 1.00 53.30 H new ATOM 0 HB3 LYS A 44 15.996 26.908 -3.201 1.00 53.30 H new ATOM 0 HG2 LYS A 44 12.961 26.918 -3.383 1.00 3.33 H new ATOM 0 HG3 LYS A 44 13.947 28.250 -2.814 1.00 3.33 H new ATOM 0 HD2 LYS A 44 15.129 27.688 -5.250 1.00 55.02 H new ATOM 0 HD3 LYS A 44 13.449 27.312 -5.580 1.00 55.02 H new ATOM 0 HE2 LYS A 44 12.750 29.495 -5.311 1.00 52.33 H new ATOM 0 HE3 LYS A 44 13.952 29.850 -4.086 1.00 52.33 H new ATOM 0 HZ1 LYS A 44 14.415 31.030 -6.134 1.00 32.32 H new ATOM 0 HZ2 LYS A 44 15.656 29.916 -5.814 1.00 32.32 H new ATOM 0 HZ3 LYS A 44 14.492 29.573 -7.002 1.00 32.32 H new ATOM 713 N LEU A 45 13.096 23.783 -3.353 1.00 52.03 N ATOM 714 CA LEU A 45 11.736 23.274 -3.496 1.00 10.53 C ATOM 715 C LEU A 45 10.713 24.368 -3.208 1.00 54.43 C ATOM 716 O LEU A 45 10.852 25.127 -2.248 1.00 41.31 O ATOM 717 CB LEU A 45 11.512 22.090 -2.553 1.00 50.44 C ATOM 718 CG LEU A 45 12.153 20.768 -2.974 1.00 25.54 C ATOM 719 CD1 LEU A 45 11.675 20.358 -4.358 1.00 42.40 C ATOM 720 CD2 LEU A 45 13.671 20.877 -2.942 1.00 51.02 C ATOM 0 H LEU A 45 13.614 23.388 -2.568 1.00 52.03 H new ATOM 0 HA LEU A 45 11.605 22.941 -4.526 1.00 10.53 H new ATOM 0 HB2 LEU A 45 11.893 22.358 -1.568 1.00 50.44 H new ATOM 0 HB3 LEU A 45 10.439 21.933 -2.447 1.00 50.44 H new ATOM 0 HG LEU A 45 11.849 19.998 -2.265 1.00 25.54 H new ATOM 0 HD11 LEU A 45 12.143 19.415 -4.640 1.00 42.40 H new ATOM 0 HD12 LEU A 45 10.592 20.237 -4.348 1.00 42.40 H new ATOM 0 HD13 LEU A 45 11.948 21.128 -5.080 1.00 42.40 H new ATOM 0 HD21 LEU A 45 14.110 19.927 -3.245 1.00 51.02 H new ATOM 0 HD22 LEU A 45 13.994 21.661 -3.627 1.00 51.02 H new ATOM 0 HD23 LEU A 45 13.997 21.122 -1.931 1.00 51.02 H new ATOM 732 N LEU A 46 9.683 24.443 -4.045 1.00 23.23 N ATOM 733 CA LEU A 46 8.634 25.443 -3.880 1.00 31.44 C ATOM 734 C LEU A 46 7.556 24.947 -2.921 1.00 52.30 C ATOM 735 O LEU A 46 7.244 25.604 -1.928 1.00 62.33 O ATOM 736 CB LEU A 46 8.010 25.785 -5.234 1.00 23.41 C ATOM 737 CG LEU A 46 8.901 26.558 -6.207 1.00 20.11 C ATOM 738 CD1 LEU A 46 9.814 25.607 -6.966 1.00 10.34 C ATOM 739 CD2 LEU A 46 8.054 27.372 -7.174 1.00 34.02 C ATOM 0 H LEU A 46 9.552 23.823 -4.844 1.00 23.23 H new ATOM 0 HA LEU A 46 9.085 26.341 -3.458 1.00 31.44 H new ATOM 0 HB2 LEU A 46 7.702 24.856 -5.714 1.00 23.41 H new ATOM 0 HB3 LEU A 46 7.106 26.368 -5.058 1.00 23.41 H new ATOM 0 HG LEU A 46 9.523 27.245 -5.633 1.00 20.11 H new ATOM 0 HD11 LEU A 46 10.440 26.175 -7.654 1.00 10.34 H new ATOM 0 HD12 LEU A 46 10.446 25.068 -6.260 1.00 10.34 H new ATOM 0 HD13 LEU A 46 9.211 24.895 -7.529 1.00 10.34 H new ATOM 0 HD21 LEU A 46 8.705 27.916 -7.859 1.00 34.02 H new ATOM 0 HD22 LEU A 46 7.407 26.704 -7.742 1.00 34.02 H new ATOM 0 HD23 LEU A 46 7.443 28.081 -6.615 1.00 34.02 H new ATOM 751 N GLY A 47 6.991 23.783 -3.225 1.00 35.33 N ATOM 752 CA GLY A 47 5.955 23.218 -2.379 1.00 71.14 C ATOM 753 C GLY A 47 6.484 22.136 -1.459 1.00 31.11 C ATOM 754 O GLY A 47 5.950 21.027 -1.421 1.00 35.32 O ATOM 0 H GLY A 47 7.232 23.221 -4.041 1.00 35.33 H new ATOM 0 HA2 GLY A 47 5.506 24.011 -1.781 1.00 71.14 H new ATOM 0 HA3 GLY A 47 5.165 22.804 -3.005 1.00 71.14 H new ATOM 758 N LEU A 48 7.538 22.457 -0.716 1.00 75.51 N ATOM 759 CA LEU A 48 8.141 21.503 0.208 1.00 31.51 C ATOM 760 C LEU A 48 7.145 21.082 1.284 1.00 53.10 C ATOM 761 O LEU A 48 7.341 20.079 1.970 1.00 64.32 O ATOM 762 CB LEU A 48 9.385 22.110 0.858 1.00 22.44 C ATOM 763 CG LEU A 48 9.155 23.354 1.717 1.00 33.42 C ATOM 764 CD1 LEU A 48 8.804 22.960 3.144 1.00 63.13 C ATOM 765 CD2 LEU A 48 10.383 24.251 1.696 1.00 2.42 C ATOM 0 H LEU A 48 7.992 23.370 -0.736 1.00 75.51 H new ATOM 0 HA LEU A 48 8.430 20.618 -0.359 1.00 31.51 H new ATOM 0 HB2 LEU A 48 9.855 21.347 1.478 1.00 22.44 H new ATOM 0 HB3 LEU A 48 10.095 22.363 0.071 1.00 22.44 H new ATOM 0 HG LEU A 48 8.316 23.911 1.299 1.00 33.42 H new ATOM 0 HD11 LEU A 48 8.644 23.858 3.741 1.00 63.13 H new ATOM 0 HD12 LEU A 48 7.895 22.359 3.142 1.00 63.13 H new ATOM 0 HD13 LEU A 48 9.621 22.381 3.573 1.00 63.13 H new ATOM 0 HD21 LEU A 48 10.201 25.131 2.313 1.00 2.42 H new ATOM 0 HD22 LEU A 48 11.240 23.704 2.089 1.00 2.42 H new ATOM 0 HD23 LEU A 48 10.589 24.562 0.672 1.00 2.42 H new ATOM 777 N LYS A 49 6.073 21.855 1.425 1.00 21.12 N ATOM 778 CA LYS A 49 5.043 21.562 2.415 1.00 60.03 C ATOM 779 C LYS A 49 3.708 21.265 1.739 1.00 41.31 C ATOM 780 O LYS A 49 3.363 21.877 0.728 1.00 64.34 O ATOM 781 CB LYS A 49 4.887 22.738 3.382 1.00 71.41 C ATOM 782 CG LYS A 49 5.403 24.054 2.827 1.00 14.22 C ATOM 783 CD LYS A 49 5.135 25.205 3.783 1.00 72.13 C ATOM 784 CE LYS A 49 5.658 26.522 3.230 1.00 61.33 C ATOM 785 NZ LYS A 49 4.993 27.693 3.865 1.00 41.23 N ATOM 0 H LYS A 49 5.895 22.689 0.866 1.00 21.12 H new ATOM 0 HA LYS A 49 5.352 20.679 2.974 1.00 60.03 H new ATOM 0 HB2 LYS A 49 3.833 22.850 3.638 1.00 71.41 H new ATOM 0 HB3 LYS A 49 5.418 22.510 4.307 1.00 71.41 H new ATOM 0 HG2 LYS A 49 6.474 23.976 2.640 1.00 14.22 H new ATOM 0 HG3 LYS A 49 4.926 24.258 1.868 1.00 14.22 H new ATOM 0 HD2 LYS A 49 4.063 25.286 3.966 1.00 72.13 H new ATOM 0 HD3 LYS A 49 5.607 24.999 4.743 1.00 72.13 H new ATOM 0 HE2 LYS A 49 6.734 26.583 3.393 1.00 61.33 H new ATOM 0 HE3 LYS A 49 5.497 26.553 2.152 1.00 61.33 H new ATOM 0 HZ1 LYS A 49 5.377 28.571 3.461 1.00 41.23 H new ATOM 0 HZ2 LYS A 49 3.969 27.649 3.688 1.00 41.23 H new ATOM 0 HZ3 LYS A 49 5.168 27.678 4.890 1.00 41.23 H new ATOM 799 N VAL A 50 2.960 20.324 2.305 1.00 34.21 N ATOM 800 CA VAL A 50 1.661 19.948 1.759 1.00 41.14 C ATOM 801 C VAL A 50 0.672 19.618 2.871 1.00 54.25 C ATOM 802 O VAL A 50 1.046 19.071 3.908 1.00 72.31 O ATOM 803 CB VAL A 50 1.779 18.737 0.815 1.00 74.41 C ATOM 804 CG1 VAL A 50 2.166 17.489 1.593 1.00 22.44 C ATOM 805 CG2 VAL A 50 0.475 18.521 0.060 1.00 4.05 C ATOM 0 H VAL A 50 3.231 19.808 3.142 1.00 34.21 H new ATOM 0 HA VAL A 50 1.295 20.805 1.194 1.00 41.14 H new ATOM 0 HB VAL A 50 2.565 18.941 0.087 1.00 74.41 H new ATOM 0 HG11 VAL A 50 2.245 16.644 0.909 1.00 22.44 H new ATOM 0 HG12 VAL A 50 3.126 17.649 2.084 1.00 22.44 H new ATOM 0 HG13 VAL A 50 1.405 17.278 2.345 1.00 22.44 H new ATOM 0 HG21 VAL A 50 0.576 17.661 -0.602 1.00 4.05 H new ATOM 0 HG22 VAL A 50 -0.331 18.339 0.771 1.00 4.05 H new ATOM 0 HG23 VAL A 50 0.245 19.408 -0.530 1.00 4.05 H new ATOM 815 N LYS A 51 -0.594 19.955 2.647 1.00 33.53 N ATOM 816 CA LYS A 51 -1.640 19.693 3.629 1.00 54.12 C ATOM 817 C LYS A 51 -1.289 20.313 4.977 1.00 5.23 C ATOM 818 O LYS A 51 -1.659 19.790 6.027 1.00 1.34 O ATOM 819 CB LYS A 51 -1.853 18.186 3.789 1.00 53.15 C ATOM 820 CG LYS A 51 -2.226 17.484 2.494 1.00 35.04 C ATOM 821 CD LYS A 51 -3.397 16.535 2.692 1.00 2.21 C ATOM 822 CE LYS A 51 -2.925 15.140 3.072 1.00 71.14 C ATOM 823 NZ LYS A 51 -3.368 14.758 4.441 1.00 34.10 N ATOM 0 H LYS A 51 -0.920 20.410 1.794 1.00 33.53 H new ATOM 0 HA LYS A 51 -2.563 20.148 3.269 1.00 54.12 H new ATOM 0 HB2 LYS A 51 -0.942 17.739 4.186 1.00 53.15 H new ATOM 0 HB3 LYS A 51 -2.639 18.015 4.525 1.00 53.15 H new ATOM 0 HG2 LYS A 51 -2.481 18.226 1.737 1.00 35.04 H new ATOM 0 HG3 LYS A 51 -1.366 16.929 2.119 1.00 35.04 H new ATOM 0 HD2 LYS A 51 -4.054 16.923 3.471 1.00 2.21 H new ATOM 0 HD3 LYS A 51 -3.985 16.484 1.775 1.00 2.21 H new ATOM 0 HE2 LYS A 51 -3.309 14.418 2.351 1.00 71.14 H new ATOM 0 HE3 LYS A 51 -1.837 15.097 3.017 1.00 71.14 H new ATOM 0 HZ1 LYS A 51 -3.223 13.738 4.581 1.00 34.10 H new ATOM 0 HZ2 LYS A 51 -2.814 15.286 5.145 1.00 34.10 H new ATOM 0 HZ3 LYS A 51 -4.377 14.983 4.555 1.00 34.10 H new ATOM 837 N GLY A 52 -0.572 21.433 4.940 1.00 21.31 N ATOM 838 CA GLY A 52 -0.184 22.106 6.166 1.00 64.04 C ATOM 839 C GLY A 52 1.063 21.508 6.786 1.00 63.41 C ATOM 840 O GLY A 52 1.642 22.079 7.710 1.00 45.43 O ATOM 0 H GLY A 52 -0.253 21.886 4.083 1.00 21.31 H new ATOM 0 HA2 GLY A 52 -0.012 23.162 5.958 1.00 64.04 H new ATOM 0 HA3 GLY A 52 -1.004 22.051 6.882 1.00 64.04 H new ATOM 844 N LYS A 53 1.478 20.352 6.279 1.00 61.42 N ATOM 845 CA LYS A 53 2.664 19.674 6.788 1.00 21.44 C ATOM 846 C LYS A 53 3.933 20.272 6.189 1.00 74.14 C ATOM 847 O LYS A 53 3.937 20.785 5.069 1.00 33.04 O ATOM 848 CB LYS A 53 2.596 18.177 6.475 1.00 54.31 C ATOM 849 CG LYS A 53 1.535 17.437 7.271 1.00 30.01 C ATOM 850 CD LYS A 53 1.848 17.444 8.758 1.00 32.10 C ATOM 851 CE LYS A 53 0.676 17.970 9.572 1.00 54.32 C ATOM 852 NZ LYS A 53 1.096 18.405 10.933 1.00 51.55 N ATOM 0 H LYS A 53 1.010 19.865 5.515 1.00 61.42 H new ATOM 0 HA LYS A 53 2.694 19.812 7.869 1.00 21.44 H new ATOM 0 HB2 LYS A 53 2.398 18.045 5.411 1.00 54.31 H new ATOM 0 HB3 LYS A 53 3.569 17.728 6.676 1.00 54.31 H new ATOM 0 HG2 LYS A 53 0.563 17.899 7.101 1.00 30.01 H new ATOM 0 HG3 LYS A 53 1.465 16.408 6.918 1.00 30.01 H new ATOM 0 HD2 LYS A 53 2.094 16.433 9.084 1.00 32.10 H new ATOM 0 HD3 LYS A 53 2.727 18.061 8.943 1.00 32.10 H new ATOM 0 HE2 LYS A 53 0.218 18.809 9.048 1.00 54.32 H new ATOM 0 HE3 LYS A 53 -0.084 17.194 9.657 1.00 54.32 H new ATOM 0 HZ1 LYS A 53 0.269 18.757 11.456 1.00 51.55 H new ATOM 0 HZ2 LYS A 53 1.510 17.599 11.443 1.00 51.55 H new ATOM 0 HZ3 LYS A 53 1.803 19.164 10.852 1.00 51.55 H new ATOM 866 N PRO A 54 5.036 20.204 6.948 1.00 1.51 N ATOM 867 CA PRO A 54 6.332 20.733 6.511 1.00 74.24 C ATOM 868 C PRO A 54 6.941 19.911 5.380 1.00 70.11 C ATOM 869 O PRO A 54 7.639 20.445 4.518 1.00 35.21 O ATOM 870 CB PRO A 54 7.198 20.636 7.769 1.00 34.31 C ATOM 871 CG PRO A 54 6.581 19.541 8.570 1.00 54.41 C ATOM 872 CD PRO A 54 5.104 19.607 8.292 1.00 22.22 C ATOM 0 HA PRO A 54 6.246 21.744 6.114 1.00 74.24 H new ATOM 0 HB2 PRO A 54 8.234 20.408 7.520 1.00 34.31 H new ATOM 0 HB3 PRO A 54 7.202 21.576 8.321 1.00 34.31 H new ATOM 0 HG2 PRO A 54 6.989 18.571 8.285 1.00 54.41 H new ATOM 0 HG3 PRO A 54 6.784 19.672 9.633 1.00 54.41 H new ATOM 0 HD2 PRO A 54 4.646 18.618 8.316 1.00 22.22 H new ATOM 0 HD3 PRO A 54 4.583 20.217 9.030 1.00 22.22 H new ATOM 880 N ALA A 55 6.672 18.609 5.389 1.00 4.45 N ATOM 881 CA ALA A 55 7.192 17.715 4.363 1.00 24.51 C ATOM 882 C ALA A 55 8.595 18.129 3.933 1.00 25.21 C ATOM 883 O ALA A 55 8.906 18.157 2.743 1.00 42.21 O ATOM 884 CB ALA A 55 6.257 17.687 3.163 1.00 0.44 C ATOM 0 H ALA A 55 6.097 18.151 6.096 1.00 4.45 H new ATOM 0 HA ALA A 55 7.251 16.713 4.787 1.00 24.51 H new ATOM 0 HB1 ALA A 55 6.658 17.015 2.405 1.00 0.44 H new ATOM 0 HB2 ALA A 55 5.274 17.335 3.476 1.00 0.44 H new ATOM 0 HB3 ALA A 55 6.168 18.691 2.748 1.00 0.44 H new ATOM 890 N GLU A 56 9.438 18.450 4.910 1.00 62.02 N ATOM 891 CA GLU A 56 10.808 18.864 4.630 1.00 1.44 C ATOM 892 C GLU A 56 11.563 17.774 3.875 1.00 52.53 C ATOM 893 O GLU A 56 11.725 17.847 2.657 1.00 13.14 O ATOM 894 CB GLU A 56 11.539 19.197 5.933 1.00 44.34 C ATOM 895 CG GLU A 56 13.004 19.552 5.735 1.00 55.13 C ATOM 896 CD GLU A 56 13.311 20.989 6.109 1.00 63.00 C ATOM 897 OE1 GLU A 56 12.733 21.482 7.100 1.00 74.43 O ATOM 898 OE2 GLU A 56 14.132 21.621 5.410 1.00 33.55 O ATOM 0 H GLU A 56 9.197 18.431 5.901 1.00 62.02 H new ATOM 0 HA GLU A 56 10.770 19.755 4.004 1.00 1.44 H new ATOM 0 HB2 GLU A 56 11.034 20.031 6.420 1.00 44.34 H new ATOM 0 HB3 GLU A 56 11.468 18.344 6.608 1.00 44.34 H new ATOM 0 HG2 GLU A 56 13.620 18.884 6.337 1.00 55.13 H new ATOM 0 HG3 GLU A 56 13.277 19.385 4.693 1.00 55.13 H new ATOM 905 N ASN A 57 12.023 16.765 4.607 1.00 52.12 N ATOM 906 CA ASN A 57 12.762 15.660 4.007 1.00 54.13 C ATOM 907 C ASN A 57 12.665 14.408 4.872 1.00 23.45 C ATOM 908 O ASN A 57 12.549 13.294 4.360 1.00 15.14 O ATOM 909 CB ASN A 57 14.229 16.047 3.811 1.00 30.12 C ATOM 910 CG ASN A 57 14.713 17.028 4.861 1.00 1.04 C ATOM 911 OD1 ASN A 57 14.525 16.815 6.059 1.00 25.13 O ATOM 912 ND2 ASN A 57 15.340 18.110 4.415 1.00 12.54 N ATOM 0 H ASN A 57 11.897 16.689 5.616 1.00 52.12 H new ATOM 0 HA ASN A 57 12.318 15.443 3.035 1.00 54.13 H new ATOM 0 HB2 ASN A 57 14.846 15.149 3.844 1.00 30.12 H new ATOM 0 HB3 ASN A 57 14.357 16.485 2.821 1.00 30.12 H new ATOM 0 HD21 ASN A 57 15.688 18.806 5.074 1.00 12.54 H new ATOM 0 HD22 ASN A 57 15.474 18.245 3.413 1.00 12.54 H new ATOM 919 N ASP A 58 12.715 14.598 6.186 1.00 15.02 N ATOM 920 CA ASP A 58 12.631 13.484 7.124 1.00 41.30 C ATOM 921 C ASP A 58 11.270 12.801 7.037 1.00 51.33 C ATOM 922 O ASP A 58 11.061 11.735 7.615 1.00 74.33 O ATOM 923 CB ASP A 58 12.880 13.972 8.552 1.00 41.41 C ATOM 924 CG ASP A 58 14.339 13.872 8.952 1.00 31.41 C ATOM 925 OD1 ASP A 58 15.196 13.764 8.050 1.00 50.21 O ATOM 926 OD2 ASP A 58 14.624 13.901 10.167 1.00 13.04 O ATOM 0 H ASP A 58 12.813 15.513 6.626 1.00 15.02 H new ATOM 0 HA ASP A 58 13.399 12.758 6.857 1.00 41.30 H new ATOM 0 HB2 ASP A 58 12.552 15.008 8.641 1.00 41.41 H new ATOM 0 HB3 ASP A 58 12.276 13.385 9.244 1.00 41.41 H new ATOM 931 N VAL A 59 10.346 13.424 6.311 1.00 64.21 N ATOM 932 CA VAL A 59 9.005 12.876 6.148 1.00 40.31 C ATOM 933 C VAL A 59 8.986 11.771 5.098 1.00 44.44 C ATOM 934 O VAL A 59 9.721 11.824 4.111 1.00 3.23 O ATOM 935 CB VAL A 59 7.998 13.970 5.745 1.00 73.41 C ATOM 936 CG1 VAL A 59 6.575 13.437 5.817 1.00 54.44 C ATOM 937 CG2 VAL A 59 8.162 15.197 6.629 1.00 71.32 C ATOM 0 H VAL A 59 10.502 14.308 5.827 1.00 64.21 H new ATOM 0 HA VAL A 59 8.713 12.461 7.113 1.00 40.31 H new ATOM 0 HB VAL A 59 8.199 14.264 4.715 1.00 73.41 H new ATOM 0 HG11 VAL A 59 5.877 14.223 5.529 1.00 54.44 H new ATOM 0 HG12 VAL A 59 6.469 12.591 5.138 1.00 54.44 H new ATOM 0 HG13 VAL A 59 6.358 13.115 6.835 1.00 54.44 H new ATOM 0 HG21 VAL A 59 7.443 15.960 6.330 1.00 71.32 H new ATOM 0 HG22 VAL A 59 7.988 14.922 7.669 1.00 71.32 H new ATOM 0 HG23 VAL A 59 9.173 15.590 6.522 1.00 71.32 H new ATOM 947 N LYS A 60 8.141 10.770 5.315 1.00 15.13 N ATOM 948 CA LYS A 60 8.023 9.652 4.387 1.00 22.53 C ATOM 949 C LYS A 60 6.940 9.919 3.347 1.00 32.23 C ATOM 950 O LYS A 60 5.983 10.650 3.606 1.00 1.14 O ATOM 951 CB LYS A 60 7.708 8.362 5.148 1.00 34.22 C ATOM 952 CG LYS A 60 8.824 7.914 6.075 1.00 63.40 C ATOM 953 CD LYS A 60 8.689 6.445 6.442 1.00 14.43 C ATOM 954 CE LYS A 60 9.412 6.127 7.742 1.00 61.23 C ATOM 955 NZ LYS A 60 10.025 4.770 7.717 1.00 32.31 N ATOM 0 H LYS A 60 7.527 10.710 6.127 1.00 15.13 H new ATOM 0 HA LYS A 60 8.976 9.539 3.871 1.00 22.53 H new ATOM 0 HB2 LYS A 60 6.799 8.507 5.732 1.00 34.22 H new ATOM 0 HB3 LYS A 60 7.503 7.568 4.430 1.00 34.22 H new ATOM 0 HG2 LYS A 60 9.787 8.083 5.594 1.00 63.40 H new ATOM 0 HG3 LYS A 60 8.810 8.519 6.981 1.00 63.40 H new ATOM 0 HD2 LYS A 60 7.634 6.188 6.539 1.00 14.43 H new ATOM 0 HD3 LYS A 60 9.094 5.829 5.639 1.00 14.43 H new ATOM 0 HE2 LYS A 60 10.187 6.873 7.918 1.00 61.23 H new ATOM 0 HE3 LYS A 60 8.710 6.194 8.574 1.00 61.23 H new ATOM 0 HZ1 LYS A 60 10.508 4.591 8.620 1.00 32.31 H new ATOM 0 HZ2 LYS A 60 9.282 4.056 7.574 1.00 32.31 H new ATOM 0 HZ3 LYS A 60 10.713 4.714 6.939 1.00 32.31 H new ATOM 969 N LEU A 61 7.095 9.321 2.171 1.00 1.21 N ATOM 970 CA LEU A 61 6.129 9.493 1.092 1.00 52.41 C ATOM 971 C LEU A 61 4.708 9.249 1.589 1.00 33.42 C ATOM 972 O LEU A 61 3.801 10.036 1.322 1.00 42.13 O ATOM 973 CB LEU A 61 6.449 8.542 -0.062 1.00 75.22 C ATOM 974 CG LEU A 61 7.918 8.461 -0.478 1.00 72.11 C ATOM 975 CD1 LEU A 61 8.087 7.520 -1.661 1.00 54.42 C ATOM 976 CD2 LEU A 61 8.454 9.845 -0.814 1.00 31.11 C ATOM 0 H LEU A 61 7.881 8.713 1.940 1.00 1.21 H new ATOM 0 HA LEU A 61 6.198 10.521 0.737 1.00 52.41 H new ATOM 0 HB2 LEU A 61 6.115 7.542 0.215 1.00 75.22 H new ATOM 0 HB3 LEU A 61 5.863 8.845 -0.929 1.00 75.22 H new ATOM 0 HG LEU A 61 8.492 8.065 0.360 1.00 72.11 H new ATOM 0 HD11 LEU A 61 9.139 7.475 -1.943 1.00 54.42 H new ATOM 0 HD12 LEU A 61 7.742 6.523 -1.385 1.00 54.42 H new ATOM 0 HD13 LEU A 61 7.501 7.886 -2.504 1.00 54.42 H new ATOM 0 HD21 LEU A 61 9.501 9.768 -1.108 1.00 31.11 H new ATOM 0 HD22 LEU A 61 7.877 10.269 -1.635 1.00 31.11 H new ATOM 0 HD23 LEU A 61 8.369 10.490 0.060 1.00 31.11 H new ATOM 988 N GLY A 62 4.521 8.151 2.317 1.00 44.32 N ATOM 989 CA GLY A 62 3.209 7.823 2.842 1.00 51.41 C ATOM 990 C GLY A 62 2.852 8.645 4.064 1.00 15.53 C ATOM 991 O GLY A 62 1.702 8.648 4.504 1.00 4.24 O ATOM 0 H GLY A 62 5.255 7.483 2.552 1.00 44.32 H new ATOM 0 HA2 GLY A 62 2.460 7.985 2.067 1.00 51.41 H new ATOM 0 HA3 GLY A 62 3.178 6.764 3.098 1.00 51.41 H new ATOM 995 N ALA A 63 3.839 9.344 4.615 1.00 20.22 N ATOM 996 CA ALA A 63 3.623 10.173 5.794 1.00 52.51 C ATOM 997 C ALA A 63 2.982 11.505 5.418 1.00 44.32 C ATOM 998 O ALA A 63 2.219 12.080 6.195 1.00 52.22 O ATOM 999 CB ALA A 63 4.937 10.405 6.525 1.00 41.34 C ATOM 0 H ALA A 63 4.796 9.352 4.263 1.00 20.22 H new ATOM 0 HA ALA A 63 2.939 9.645 6.459 1.00 52.51 H new ATOM 0 HB1 ALA A 63 4.760 11.026 7.403 1.00 41.34 H new ATOM 0 HB2 ALA A 63 5.355 9.447 6.836 1.00 41.34 H new ATOM 0 HB3 ALA A 63 5.639 10.908 5.860 1.00 41.34 H new ATOM 1005 N LEU A 64 3.298 11.992 4.223 1.00 61.54 N ATOM 1006 CA LEU A 64 2.754 13.257 3.743 1.00 13.23 C ATOM 1007 C LEU A 64 1.321 13.082 3.251 1.00 73.01 C ATOM 1008 O LEU A 64 0.542 14.035 3.222 1.00 74.12 O ATOM 1009 CB LEU A 64 3.627 13.817 2.619 1.00 55.32 C ATOM 1010 CG LEU A 64 5.109 13.447 2.672 1.00 2.23 C ATOM 1011 CD1 LEU A 64 5.555 12.839 1.352 1.00 64.30 C ATOM 1012 CD2 LEU A 64 5.952 14.668 3.011 1.00 52.43 C ATOM 0 H LEU A 64 3.929 11.529 3.568 1.00 61.54 H new ATOM 0 HA LEU A 64 2.749 13.961 4.575 1.00 13.23 H new ATOM 0 HB2 LEU A 64 3.222 13.475 1.667 1.00 55.32 H new ATOM 0 HB3 LEU A 64 3.544 14.904 2.629 1.00 55.32 H new ATOM 0 HG LEU A 64 5.250 12.704 3.457 1.00 2.23 H new ATOM 0 HD11 LEU A 64 6.613 12.582 1.409 1.00 64.30 H new ATOM 0 HD12 LEU A 64 4.973 11.939 1.151 1.00 64.30 H new ATOM 0 HD13 LEU A 64 5.399 13.559 0.549 1.00 64.30 H new ATOM 0 HD21 LEU A 64 7.004 14.386 3.044 1.00 52.43 H new ATOM 0 HD22 LEU A 64 5.806 15.434 2.249 1.00 52.43 H new ATOM 0 HD23 LEU A 64 5.650 15.060 3.982 1.00 52.43 H new ATOM 1024 N LYS A 65 0.978 11.857 2.866 1.00 4.13 N ATOM 1025 CA LYS A 65 -0.362 11.554 2.378 1.00 2.33 C ATOM 1026 C LYS A 65 -0.658 12.319 1.092 1.00 31.20 C ATOM 1027 O LYS A 65 -1.789 12.750 0.860 1.00 25.42 O ATOM 1028 CB LYS A 65 -1.405 11.902 3.443 1.00 50.14 C ATOM 1029 CG LYS A 65 -1.064 11.373 4.825 1.00 64.23 C ATOM 1030 CD LYS A 65 -1.107 9.854 4.867 1.00 53.51 C ATOM 1031 CE LYS A 65 -0.663 9.321 6.220 1.00 4.43 C ATOM 1032 NZ LYS A 65 -1.814 9.120 7.143 1.00 72.03 N ATOM 0 H LYS A 65 1.611 11.057 2.883 1.00 4.13 H new ATOM 0 HA LYS A 65 -0.412 10.486 2.164 1.00 2.33 H new ATOM 0 HB2 LYS A 65 -1.512 12.986 3.494 1.00 50.14 H new ATOM 0 HB3 LYS A 65 -2.371 11.500 3.138 1.00 50.14 H new ATOM 0 HG2 LYS A 65 -0.071 11.718 5.113 1.00 64.23 H new ATOM 0 HG3 LYS A 65 -1.766 11.778 5.554 1.00 64.23 H new ATOM 0 HD2 LYS A 65 -2.120 9.512 4.655 1.00 53.51 H new ATOM 0 HD3 LYS A 65 -0.463 9.449 4.086 1.00 53.51 H new ATOM 0 HE2 LYS A 65 -0.138 8.376 6.083 1.00 4.43 H new ATOM 0 HE3 LYS A 65 0.045 10.017 6.669 1.00 4.43 H new ATOM 0 HZ1 LYS A 65 -1.469 8.756 8.054 1.00 72.03 H new ATOM 0 HZ2 LYS A 65 -2.300 10.027 7.294 1.00 72.03 H new ATOM 0 HZ3 LYS A 65 -2.478 8.437 6.726 1.00 72.03 H new ATOM 1046 N LEU A 66 0.363 12.483 0.258 1.00 30.22 N ATOM 1047 CA LEU A 66 0.211 13.194 -1.006 1.00 45.23 C ATOM 1048 C LEU A 66 -0.232 12.245 -2.115 1.00 41.32 C ATOM 1049 O LEU A 66 0.047 11.047 -2.071 1.00 3.04 O ATOM 1050 CB LEU A 66 1.527 13.871 -1.394 1.00 64.13 C ATOM 1051 CG LEU A 66 1.591 15.384 -1.185 1.00 51.34 C ATOM 1052 CD1 LEU A 66 2.973 15.914 -1.536 1.00 54.04 C ATOM 1053 CD2 LEU A 66 0.523 16.082 -2.015 1.00 44.53 C ATOM 0 H LEU A 66 1.305 12.133 0.435 1.00 30.22 H new ATOM 0 HA LEU A 66 -0.558 13.955 -0.876 1.00 45.23 H new ATOM 0 HB2 LEU A 66 2.332 13.411 -0.821 1.00 64.13 H new ATOM 0 HB3 LEU A 66 1.724 13.661 -2.445 1.00 64.13 H new ATOM 0 HG LEU A 66 1.401 15.595 -0.133 1.00 51.34 H new ATOM 0 HD11 LEU A 66 2.999 16.993 -1.381 1.00 54.04 H new ATOM 0 HD12 LEU A 66 3.718 15.438 -0.899 1.00 54.04 H new ATOM 0 HD13 LEU A 66 3.193 15.692 -2.580 1.00 54.04 H new ATOM 0 HD21 LEU A 66 0.583 17.158 -1.854 1.00 44.53 H new ATOM 0 HD22 LEU A 66 0.682 15.863 -3.071 1.00 44.53 H new ATOM 0 HD23 LEU A 66 -0.462 15.725 -1.715 1.00 44.53 H new ATOM 1065 N LYS A 67 -0.923 12.789 -3.111 1.00 43.43 N ATOM 1066 CA LYS A 67 -1.402 11.993 -4.235 1.00 13.42 C ATOM 1067 C LYS A 67 -0.239 11.514 -5.097 1.00 74.44 C ATOM 1068 O LYS A 67 0.863 12.061 -5.056 1.00 54.02 O ATOM 1069 CB LYS A 67 -2.379 12.810 -5.085 1.00 22.53 C ATOM 1070 CG LYS A 67 -3.837 12.462 -4.838 1.00 43.25 C ATOM 1071 CD LYS A 67 -4.374 13.157 -3.599 1.00 1.52 C ATOM 1072 CE LYS A 67 -5.733 13.789 -3.859 1.00 32.34 C ATOM 1073 NZ LYS A 67 -5.901 15.070 -3.118 1.00 25.30 N ATOM 0 H LYS A 67 -1.164 13.779 -3.163 1.00 43.43 H new ATOM 0 HA LYS A 67 -1.919 11.120 -3.836 1.00 13.42 H new ATOM 0 HB2 LYS A 67 -2.227 13.870 -4.880 1.00 22.53 H new ATOM 0 HB3 LYS A 67 -2.150 12.653 -6.139 1.00 22.53 H new ATOM 0 HG2 LYS A 67 -4.432 12.750 -5.704 1.00 43.25 H new ATOM 0 HG3 LYS A 67 -3.940 11.383 -4.724 1.00 43.25 H new ATOM 0 HD2 LYS A 67 -4.456 12.438 -2.784 1.00 1.52 H new ATOM 0 HD3 LYS A 67 -3.670 13.925 -3.277 1.00 1.52 H new ATOM 0 HE2 LYS A 67 -5.851 13.970 -4.927 1.00 32.34 H new ATOM 0 HE3 LYS A 67 -6.519 13.094 -3.565 1.00 32.34 H new ATOM 0 HZ1 LYS A 67 -6.840 15.469 -3.322 1.00 25.30 H new ATOM 0 HZ2 LYS A 67 -5.814 14.894 -2.097 1.00 25.30 H new ATOM 0 HZ3 LYS A 67 -5.167 15.743 -3.417 1.00 25.30 H new ATOM 1087 N PRO A 68 -0.488 10.467 -5.899 1.00 12.40 N ATOM 1088 CA PRO A 68 0.526 9.893 -6.788 1.00 74.42 C ATOM 1089 C PRO A 68 0.875 10.822 -7.946 1.00 22.43 C ATOM 1090 O PRO A 68 2.022 10.873 -8.388 1.00 20.11 O ATOM 1091 CB PRO A 68 -0.141 8.617 -7.309 1.00 33.01 C ATOM 1092 CG PRO A 68 -1.603 8.885 -7.206 1.00 32.44 C ATOM 1093 CD PRO A 68 -1.779 9.765 -6.000 1.00 2.45 C ATOM 0 HA PRO A 68 1.469 9.717 -6.271 1.00 74.42 H new ATOM 0 HB2 PRO A 68 0.152 8.409 -8.338 1.00 33.01 H new ATOM 0 HB3 PRO A 68 0.145 7.749 -6.715 1.00 33.01 H new ATOM 0 HG2 PRO A 68 -1.974 9.377 -8.105 1.00 32.44 H new ATOM 0 HG3 PRO A 68 -2.163 7.956 -7.097 1.00 32.44 H new ATOM 0 HD2 PRO A 68 -2.607 10.462 -6.129 1.00 2.45 H new ATOM 0 HD3 PRO A 68 -1.990 9.181 -5.104 1.00 2.45 H new ATOM 1101 N ASN A 69 -0.121 11.555 -8.432 1.00 32.41 N ATOM 1102 CA ASN A 69 0.082 12.482 -9.539 1.00 12.22 C ATOM 1103 C ASN A 69 0.731 13.775 -9.053 1.00 74.13 C ATOM 1104 O ASN A 69 1.251 14.559 -9.848 1.00 22.41 O ATOM 1105 CB ASN A 69 -1.251 12.793 -10.222 1.00 74.12 C ATOM 1106 CG ASN A 69 -2.058 11.542 -10.512 1.00 21.20 C ATOM 1107 OD1 ASN A 69 -3.209 11.421 -10.093 1.00 12.02 O ATOM 1108 ND2 ASN A 69 -1.455 10.603 -11.232 1.00 51.13 N ATOM 0 H ASN A 69 -1.077 11.525 -8.077 1.00 32.41 H new ATOM 0 HA ASN A 69 0.750 12.009 -10.259 1.00 12.22 H new ATOM 0 HB2 ASN A 69 -1.835 13.459 -9.587 1.00 74.12 H new ATOM 0 HB3 ASN A 69 -1.063 13.325 -11.155 1.00 74.12 H new ATOM 0 HD21 ASN A 69 -1.948 9.739 -11.458 1.00 51.13 H new ATOM 0 HD22 ASN A 69 -0.499 10.746 -11.559 1.00 51.13 H new ATOM 1115 N THR A 70 0.696 13.992 -7.742 1.00 63.20 N ATOM 1116 CA THR A 70 1.280 15.189 -7.150 1.00 32.32 C ATOM 1117 C THR A 70 2.500 15.653 -7.937 1.00 71.10 C ATOM 1118 O THR A 70 3.478 14.919 -8.076 1.00 64.30 O ATOM 1119 CB THR A 70 1.690 14.948 -5.685 1.00 14.04 C ATOM 1120 OG1 THR A 70 0.526 14.718 -4.882 1.00 2.30 O ATOM 1121 CG2 THR A 70 2.463 16.138 -5.137 1.00 21.24 C ATOM 0 H THR A 70 0.269 13.354 -7.070 1.00 63.20 H new ATOM 0 HA THR A 70 0.514 15.964 -7.183 1.00 32.32 H new ATOM 0 HB THR A 70 2.334 14.069 -5.651 1.00 14.04 H new ATOM 0 HG1 THR A 70 0.400 13.754 -4.757 1.00 2.30 H new ATOM 0 HG21 THR A 70 2.742 15.945 -4.101 1.00 21.24 H new ATOM 0 HG22 THR A 70 3.363 16.293 -5.732 1.00 21.24 H new ATOM 0 HG23 THR A 70 1.839 17.030 -5.184 1.00 21.24 H new ATOM 1129 N LYS A 71 2.436 16.877 -8.451 1.00 23.34 N ATOM 1130 CA LYS A 71 3.537 17.441 -9.223 1.00 32.01 C ATOM 1131 C LYS A 71 4.498 18.207 -8.320 1.00 42.42 C ATOM 1132 O LYS A 71 4.085 18.815 -7.332 1.00 22.32 O ATOM 1133 CB LYS A 71 2.998 18.368 -10.315 1.00 71.53 C ATOM 1134 CG LYS A 71 1.821 17.786 -11.080 1.00 45.21 C ATOM 1135 CD LYS A 71 0.511 18.435 -10.665 1.00 64.42 C ATOM 1136 CE LYS A 71 -0.685 17.604 -11.104 1.00 50.55 C ATOM 1137 NZ LYS A 71 -1.546 18.341 -12.071 1.00 31.31 N ATOM 0 H LYS A 71 1.633 17.497 -8.347 1.00 23.34 H new ATOM 0 HA LYS A 71 4.081 16.619 -9.688 1.00 32.01 H new ATOM 0 HB2 LYS A 71 2.695 19.312 -9.862 1.00 71.53 H new ATOM 0 HB3 LYS A 71 3.801 18.594 -11.017 1.00 71.53 H new ATOM 0 HG2 LYS A 71 1.975 17.927 -12.150 1.00 45.21 H new ATOM 0 HG3 LYS A 71 1.767 16.711 -10.905 1.00 45.21 H new ATOM 0 HD2 LYS A 71 0.492 18.559 -9.582 1.00 64.42 H new ATOM 0 HD3 LYS A 71 0.443 19.432 -11.101 1.00 64.42 H new ATOM 0 HE2 LYS A 71 -0.336 16.678 -11.561 1.00 50.55 H new ATOM 0 HE3 LYS A 71 -1.275 17.326 -10.231 1.00 50.55 H new ATOM 0 HZ1 LYS A 71 -2.350 17.742 -12.346 1.00 31.31 H new ATOM 0 HZ2 LYS A 71 -1.900 19.212 -11.627 1.00 31.31 H new ATOM 0 HZ3 LYS A 71 -0.990 18.584 -12.916 1.00 31.31 H new ATOM 1151 N ILE A 72 5.780 18.176 -8.667 1.00 64.11 N ATOM 1152 CA ILE A 72 6.799 18.870 -7.889 1.00 60.01 C ATOM 1153 C ILE A 72 7.443 19.989 -8.700 1.00 50.05 C ATOM 1154 O ILE A 72 7.890 19.775 -9.827 1.00 35.40 O ATOM 1155 CB ILE A 72 7.897 17.903 -7.408 1.00 72.55 C ATOM 1156 CG1 ILE A 72 7.280 16.752 -6.610 1.00 54.33 C ATOM 1157 CG2 ILE A 72 8.926 18.644 -6.569 1.00 42.42 C ATOM 1158 CD1 ILE A 72 6.474 17.210 -5.415 1.00 11.42 C ATOM 0 H ILE A 72 6.138 17.678 -9.482 1.00 64.11 H new ATOM 0 HA ILE A 72 6.296 19.296 -7.021 1.00 60.01 H new ATOM 0 HB ILE A 72 8.401 17.487 -8.280 1.00 72.55 H new ATOM 0 HG12 ILE A 72 6.638 16.167 -7.269 1.00 54.33 H new ATOM 0 HG13 ILE A 72 8.075 16.089 -6.269 1.00 54.33 H new ATOM 0 HG21 ILE A 72 9.695 17.947 -6.237 1.00 42.42 H new ATOM 0 HG22 ILE A 72 9.384 19.432 -7.167 1.00 42.42 H new ATOM 0 HG23 ILE A 72 8.437 19.086 -5.701 1.00 42.42 H new ATOM 0 HD11 ILE A 72 6.067 16.342 -4.897 1.00 11.42 H new ATOM 0 HD12 ILE A 72 7.117 17.770 -4.736 1.00 11.42 H new ATOM 0 HD13 ILE A 72 5.657 17.849 -5.750 1.00 11.42 H new ATOM 1170 N MET A 73 7.489 21.183 -8.119 1.00 54.21 N ATOM 1171 CA MET A 73 8.081 22.336 -8.787 1.00 62.04 C ATOM 1172 C MET A 73 9.501 22.583 -8.288 1.00 1.42 C ATOM 1173 O MET A 73 9.792 22.410 -7.105 1.00 35.14 O ATOM 1174 CB MET A 73 7.223 23.582 -8.559 1.00 22.24 C ATOM 1175 CG MET A 73 5.859 23.511 -9.225 1.00 33.43 C ATOM 1176 SD MET A 73 4.707 24.740 -8.581 1.00 72.43 S ATOM 1177 CE MET A 73 3.143 23.903 -8.834 1.00 3.11 C ATOM 0 H MET A 73 7.123 21.378 -7.187 1.00 54.21 H new ATOM 0 HA MET A 73 8.122 22.124 -9.855 1.00 62.04 H new ATOM 0 HB2 MET A 73 7.088 23.729 -7.487 1.00 22.24 H new ATOM 0 HB3 MET A 73 7.757 24.455 -8.935 1.00 22.24 H new ATOM 0 HG2 MET A 73 5.975 23.655 -10.299 1.00 33.43 H new ATOM 0 HG3 MET A 73 5.440 22.515 -9.081 1.00 33.43 H new ATOM 0 HE1 MET A 73 2.329 24.538 -8.484 1.00 3.11 H new ATOM 0 HE2 MET A 73 3.009 23.694 -9.896 1.00 3.11 H new ATOM 0 HE3 MET A 73 3.137 22.966 -8.277 1.00 3.11 H new ATOM 1187 N MET A 74 10.381 22.989 -9.197 1.00 43.31 N ATOM 1188 CA MET A 74 11.771 23.261 -8.847 1.00 54.12 C ATOM 1189 C MET A 74 12.237 24.579 -9.458 1.00 63.31 C ATOM 1190 O MET A 74 12.017 24.837 -10.641 1.00 14.52 O ATOM 1191 CB MET A 74 12.671 22.119 -9.321 1.00 21.31 C ATOM 1192 CG MET A 74 12.276 20.762 -8.762 1.00 33.50 C ATOM 1193 SD MET A 74 12.830 19.395 -9.799 1.00 62.22 S ATOM 1194 CE MET A 74 13.558 18.312 -8.572 1.00 72.00 C ATOM 0 H MET A 74 10.157 23.137 -10.181 1.00 43.31 H new ATOM 0 HA MET A 74 11.838 23.340 -7.762 1.00 54.12 H new ATOM 0 HB2 MET A 74 12.646 22.076 -10.410 1.00 21.31 H new ATOM 0 HB3 MET A 74 13.700 22.335 -9.034 1.00 21.31 H new ATOM 0 HG2 MET A 74 12.697 20.649 -7.763 1.00 33.50 H new ATOM 0 HG3 MET A 74 11.192 20.718 -8.658 1.00 33.50 H new ATOM 0 HE1 MET A 74 14.101 17.509 -9.071 1.00 72.00 H new ATOM 0 HE2 MET A 74 14.246 18.881 -7.947 1.00 72.00 H new ATOM 0 HE3 MET A 74 12.771 17.885 -7.950 1.00 72.00 H new ATOM 1204 N MET A 75 12.883 25.408 -8.644 1.00 74.50 N ATOM 1205 CA MET A 75 13.381 26.698 -9.106 1.00 32.01 C ATOM 1206 C MET A 75 14.877 26.831 -8.838 1.00 34.11 C ATOM 1207 O MET A 75 15.327 26.702 -7.700 1.00 70.24 O ATOM 1208 CB MET A 75 12.625 27.836 -8.418 1.00 55.44 C ATOM 1209 CG MET A 75 11.139 27.861 -8.740 1.00 61.43 C ATOM 1210 SD MET A 75 10.699 29.176 -9.893 1.00 25.41 S ATOM 1211 CE MET A 75 9.833 28.245 -11.154 1.00 61.42 C ATOM 0 H MET A 75 13.074 25.209 -7.662 1.00 74.50 H new ATOM 0 HA MET A 75 13.216 26.759 -10.182 1.00 32.01 H new ATOM 0 HB2 MET A 75 12.753 27.746 -7.339 1.00 55.44 H new ATOM 0 HB3 MET A 75 13.068 28.787 -8.714 1.00 55.44 H new ATOM 0 HG2 MET A 75 10.847 26.900 -9.163 1.00 61.43 H new ATOM 0 HG3 MET A 75 10.573 27.988 -7.817 1.00 61.43 H new ATOM 0 HE1 MET A 75 9.497 28.922 -11.940 1.00 61.42 H new ATOM 0 HE2 MET A 75 10.503 27.498 -11.580 1.00 61.42 H new ATOM 0 HE3 MET A 75 8.970 27.747 -10.711 1.00 61.42 H new ATOM 1221 N GLY A 76 15.642 27.089 -9.894 1.00 1.41 N ATOM 1222 CA GLY A 76 17.079 27.235 -9.751 1.00 31.22 C ATOM 1223 C GLY A 76 17.825 26.903 -11.028 1.00 23.13 C ATOM 1224 O GLY A 76 17.271 26.999 -12.123 1.00 61.33 O ATOM 0 H GLY A 76 15.293 27.200 -10.846 1.00 1.41 H new ATOM 0 HA2 GLY A 76 17.309 28.258 -9.455 1.00 31.22 H new ATOM 0 HA3 GLY A 76 17.429 26.585 -8.950 1.00 31.22 H new ATOM 1228 N THR A 77 19.088 26.512 -10.889 1.00 5.44 N ATOM 1229 CA THR A 77 19.913 26.168 -12.040 1.00 1.01 C ATOM 1230 C THR A 77 20.649 24.852 -11.815 1.00 41.11 C ATOM 1231 O THR A 77 21.208 24.618 -10.743 1.00 72.24 O ATOM 1232 CB THR A 77 20.942 27.273 -12.345 1.00 1.15 C ATOM 1233 OG1 THR A 77 21.891 26.806 -13.310 1.00 4.05 O ATOM 1234 CG2 THR A 77 21.668 27.701 -11.078 1.00 33.12 C ATOM 0 H THR A 77 19.562 26.426 -9.990 1.00 5.44 H new ATOM 0 HA THR A 77 19.240 26.064 -12.891 1.00 1.01 H new ATOM 0 HB THR A 77 20.409 28.134 -12.748 1.00 1.15 H new ATOM 0 HG1 THR A 77 22.541 27.515 -13.500 1.00 4.05 H new ATOM 0 HG21 THR A 77 22.389 28.482 -11.318 1.00 33.12 H new ATOM 0 HG22 THR A 77 20.946 28.083 -10.356 1.00 33.12 H new ATOM 0 HG23 THR A 77 22.189 26.845 -10.650 1.00 33.12 H new ATOM 1242 N ARG A 78 20.646 23.997 -12.832 1.00 62.31 N ATOM 1243 CA ARG A 78 21.314 22.703 -12.745 1.00 13.54 C ATOM 1244 C ARG A 78 22.739 22.790 -13.282 1.00 3.01 C ATOM 1245 O ARG A 78 23.022 23.564 -14.195 1.00 50.34 O ATOM 1246 CB ARG A 78 20.528 21.646 -13.522 1.00 54.22 C ATOM 1247 CG ARG A 78 20.164 22.074 -14.935 1.00 25.12 C ATOM 1248 CD ARG A 78 18.699 22.466 -15.039 1.00 11.24 C ATOM 1249 NE ARG A 78 18.388 23.085 -16.324 1.00 51.32 N ATOM 1250 CZ ARG A 78 18.357 22.419 -17.473 1.00 30.43 C ATOM 1251 NH1 ARG A 78 18.616 21.119 -17.496 1.00 24.44 N ATOM 1252 NH2 ARG A 78 18.066 23.052 -18.602 1.00 15.35 N ATOM 0 H ARG A 78 20.189 24.176 -13.726 1.00 62.31 H new ATOM 0 HA ARG A 78 21.357 22.414 -11.695 1.00 13.54 H new ATOM 0 HB2 ARG A 78 21.116 20.730 -13.569 1.00 54.22 H new ATOM 0 HB3 ARG A 78 19.614 21.410 -12.976 1.00 54.22 H new ATOM 0 HG2 ARG A 78 20.789 22.916 -15.234 1.00 25.12 H new ATOM 0 HG3 ARG A 78 20.374 21.260 -15.628 1.00 25.12 H new ATOM 0 HD2 ARG A 78 18.077 21.582 -14.903 1.00 11.24 H new ATOM 0 HD3 ARG A 78 18.451 23.158 -14.234 1.00 11.24 H new ATOM 0 HE ARG A 78 18.183 24.084 -16.341 1.00 51.32 H new ATOM 0 HH11 ARG A 78 18.840 20.628 -16.630 1.00 24.44 H new ATOM 0 HH12 ARG A 78 18.592 20.610 -18.379 1.00 24.44 H new ATOM 0 HH21 ARG A 78 17.866 24.052 -18.589 1.00 15.35 H new ATOM 0 HH22 ARG A 78 18.043 22.539 -19.483 1.00 15.35 H new ATOM 1266 N GLU A 79 23.632 21.990 -12.707 1.00 44.33 N ATOM 1267 CA GLU A 79 25.029 21.978 -13.128 1.00 55.41 C ATOM 1268 C GLU A 79 25.142 21.727 -14.629 1.00 23.41 C ATOM 1269 O GLU A 79 24.172 21.339 -15.278 1.00 73.23 O ATOM 1270 CB GLU A 79 25.807 20.908 -12.360 1.00 12.21 C ATOM 1271 CG GLU A 79 25.452 19.488 -12.767 1.00 20.11 C ATOM 1272 CD GLU A 79 26.346 18.453 -12.111 1.00 74.25 C ATOM 1273 OE1 GLU A 79 26.871 18.732 -11.014 1.00 30.54 O ATOM 1274 OE2 GLU A 79 26.519 17.363 -12.697 1.00 51.42 O ATOM 0 H GLU A 79 23.414 21.343 -11.950 1.00 44.33 H new ATOM 0 HA GLU A 79 25.457 22.956 -12.907 1.00 55.41 H new ATOM 0 HB2 GLU A 79 26.874 21.065 -12.515 1.00 12.21 H new ATOM 0 HB3 GLU A 79 25.619 21.029 -11.293 1.00 12.21 H new ATOM 0 HG2 GLU A 79 24.414 19.287 -12.502 1.00 20.11 H new ATOM 0 HG3 GLU A 79 25.528 19.395 -13.850 1.00 20.11 H new ATOM 1281 N GLU A 80 26.335 21.951 -15.172 1.00 32.10 N ATOM 1282 CA GLU A 80 26.575 21.750 -16.596 1.00 72.31 C ATOM 1283 C GLU A 80 27.089 20.339 -16.867 1.00 72.32 C ATOM 1284 O GLU A 80 28.230 20.009 -16.544 1.00 11.44 O ATOM 1285 CB GLU A 80 27.580 22.779 -17.117 1.00 12.30 C ATOM 1286 CG GLU A 80 27.117 23.501 -18.372 1.00 21.15 C ATOM 1287 CD GLU A 80 28.008 23.222 -19.567 1.00 15.22 C ATOM 1288 OE1 GLU A 80 29.133 23.762 -19.608 1.00 54.20 O ATOM 1289 OE2 GLU A 80 27.579 22.463 -20.461 1.00 54.22 O ATOM 0 H GLU A 80 27.149 22.271 -14.648 1.00 32.10 H new ATOM 0 HA GLU A 80 25.628 21.880 -17.120 1.00 72.31 H new ATOM 0 HB2 GLU A 80 27.773 23.514 -16.335 1.00 12.30 H new ATOM 0 HB3 GLU A 80 28.526 22.278 -17.324 1.00 12.30 H new ATOM 0 HG2 GLU A 80 26.096 23.198 -18.606 1.00 21.15 H new ATOM 0 HG3 GLU A 80 27.095 24.574 -18.182 1.00 21.15 H new ATOM 1296 N SER A 81 26.238 19.509 -17.463 1.00 13.43 N ATOM 1297 CA SER A 81 26.603 18.132 -17.774 1.00 2.42 C ATOM 1298 C SER A 81 27.471 18.071 -19.027 1.00 22.40 C ATOM 1299 O SER A 81 28.320 18.940 -19.216 1.00 40.43 O ATOM 1300 CB SER A 81 25.347 17.280 -17.967 1.00 3.31 C ATOM 1301 OG SER A 81 24.766 16.938 -16.720 1.00 43.54 O ATOM 0 H SER A 81 25.291 19.767 -17.740 1.00 13.43 H new ATOM 0 HA SER A 81 27.176 17.735 -16.936 1.00 2.42 H new ATOM 0 HB2 SER A 81 24.623 17.826 -18.572 1.00 3.31 H new ATOM 0 HB3 SER A 81 25.600 16.372 -18.515 1.00 3.31 H new ATOM 0 HG SER A 81 23.964 16.395 -16.871 1.00 43.54 H new HETATM 1307 N NH2 A 90 27.242 17.055 -19.846 1.00 21.41 N TER 1309 NH2 A 90