USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 504 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 29 HIS : no HD1:sc= -1.25 K(o=-1.7,f=-4.9!) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.5 USER MOD Set 2.1: A 15 HIS : no HD1:sc= -0.255 X(o=0.89,f=1.1) USER MOD Set 2.2: A 33 LYS NZ :NH3+ -146:sc= 1.15 (180deg=1.04) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -0.519 X(o=-0.52,f=-0.2) USER MOD Set 3.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -108:sc= -1.61 (180deg=-5.06!) USER MOD Single : A 19 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 3:sc= 2.39! USER MOD Single : A 39 TYR OH : rot 180:sc= -0.879 USER MOD Single : A 41 GLN : amide:sc= -5.88! C(o=-5.9!,f=-6.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.343 K(o=-0.34,f=-2) USER MOD Single : A 54 TYR OH : rot 163:sc= 1.12 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0197 K(o=-0.02,f=-1.2) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.0142 X(o=0.014,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.650 -12.640 -1.796 1.00 0.00 N ATOM 2 CA GLY A 1 -14.939 -11.481 -2.304 1.00 0.00 C ATOM 3 C GLY A 1 -14.557 -11.628 -3.763 1.00 0.00 C ATOM 4 O GLY A 1 -13.380 -11.770 -4.092 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.888 -12.490 -0.795 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.524 -12.779 -2.343 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.048 -13.483 -1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.562 -10.595 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.039 -11.322 -1.710 1.00 0.00 H new ATOM 8 N SER A 2 -15.555 -11.596 -4.641 1.00 0.00 N ATOM 9 CA SER A 2 -15.318 -11.732 -6.073 1.00 0.00 C ATOM 10 C SER A 2 -14.535 -10.539 -6.610 1.00 0.00 C ATOM 11 O SER A 2 -15.106 -9.490 -6.907 1.00 0.00 O ATOM 12 CB SER A 2 -16.647 -11.863 -6.821 1.00 0.00 C ATOM 13 OG SER A 2 -17.338 -13.037 -6.432 1.00 0.00 O ATOM 0 H SER A 2 -16.535 -11.477 -4.385 1.00 0.00 H new ATOM 0 HA SER A 2 -14.728 -12.634 -6.234 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.268 -10.989 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.463 -11.885 -7.895 1.00 0.00 H new ATOM 0 HG SER A 2 -18.184 -13.096 -6.923 1.00 0.00 H new ATOM 19 N SER A 3 -13.222 -10.707 -6.732 1.00 0.00 N ATOM 20 CA SER A 3 -12.358 -9.643 -7.230 1.00 0.00 C ATOM 21 C SER A 3 -12.667 -9.331 -8.690 1.00 0.00 C ATOM 22 O SER A 3 -12.976 -8.193 -9.042 1.00 0.00 O ATOM 23 CB SER A 3 -10.888 -10.040 -7.081 1.00 0.00 C ATOM 24 OG SER A 3 -10.036 -9.072 -7.670 1.00 0.00 O ATOM 0 H SER A 3 -12.733 -11.570 -6.493 1.00 0.00 H new ATOM 0 HA SER A 3 -12.547 -8.748 -6.638 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.643 -10.150 -6.025 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.721 -11.010 -7.550 1.00 0.00 H new ATOM 0 HG SER A 3 -9.102 -9.348 -7.560 1.00 0.00 H new ATOM 30 N GLY A 4 -12.581 -10.351 -9.538 1.00 0.00 N ATOM 31 CA GLY A 4 -12.854 -10.166 -10.952 1.00 0.00 C ATOM 32 C GLY A 4 -11.747 -9.414 -11.663 1.00 0.00 C ATOM 33 O GLY A 4 -10.816 -8.919 -11.027 1.00 0.00 O ATOM 0 H GLY A 4 -12.327 -11.302 -9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.988 -11.140 -11.423 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.792 -9.623 -11.070 1.00 0.00 H new ATOM 37 N SER A 5 -11.845 -9.329 -12.985 1.00 0.00 N ATOM 38 CA SER A 5 -10.841 -8.637 -13.784 1.00 0.00 C ATOM 39 C SER A 5 -11.150 -7.145 -13.872 1.00 0.00 C ATOM 40 O SER A 5 -11.013 -6.533 -14.930 1.00 0.00 O ATOM 41 CB SER A 5 -10.772 -9.238 -15.189 1.00 0.00 C ATOM 42 OG SER A 5 -9.903 -10.357 -15.223 1.00 0.00 O ATOM 0 H SER A 5 -12.610 -9.731 -13.526 1.00 0.00 H new ATOM 0 HA SER A 5 -9.875 -8.763 -13.295 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.770 -9.539 -15.509 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.425 -8.483 -15.894 1.00 0.00 H new ATOM 0 HG SER A 5 -9.878 -10.724 -16.131 1.00 0.00 H new ATOM 48 N SER A 6 -11.568 -6.567 -12.750 1.00 0.00 N ATOM 49 CA SER A 6 -11.901 -5.148 -12.699 1.00 0.00 C ATOM 50 C SER A 6 -11.185 -4.463 -11.539 1.00 0.00 C ATOM 51 O SER A 6 -10.676 -5.122 -10.633 1.00 0.00 O ATOM 52 CB SER A 6 -13.413 -4.962 -12.561 1.00 0.00 C ATOM 53 OG SER A 6 -14.084 -5.339 -13.751 1.00 0.00 O ATOM 0 H SER A 6 -11.684 -7.059 -11.864 1.00 0.00 H new ATOM 0 HA SER A 6 -11.569 -4.689 -13.630 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.781 -5.560 -11.727 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.635 -3.920 -12.329 1.00 0.00 H new ATOM 0 HG SER A 6 -15.049 -5.212 -13.637 1.00 0.00 H new ATOM 59 N GLY A 7 -11.149 -3.135 -11.575 1.00 0.00 N ATOM 60 CA GLY A 7 -10.493 -2.381 -10.523 1.00 0.00 C ATOM 61 C GLY A 7 -8.983 -2.510 -10.572 1.00 0.00 C ATOM 62 O GLY A 7 -8.341 -2.024 -11.502 1.00 0.00 O ATOM 0 H GLY A 7 -11.563 -2.567 -12.315 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.768 -1.330 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.853 -2.727 -9.554 1.00 0.00 H new ATOM 66 N LYS A 8 -8.415 -3.167 -9.566 1.00 0.00 N ATOM 67 CA LYS A 8 -6.971 -3.359 -9.497 1.00 0.00 C ATOM 68 C LYS A 8 -6.597 -4.800 -9.830 1.00 0.00 C ATOM 69 O LYS A 8 -7.377 -5.731 -9.631 1.00 0.00 O ATOM 70 CB LYS A 8 -6.454 -2.996 -8.103 1.00 0.00 C ATOM 71 CG LYS A 8 -6.388 -1.500 -7.848 1.00 0.00 C ATOM 72 CD LYS A 8 -5.263 -0.850 -8.636 1.00 0.00 C ATOM 73 CE LYS A 8 -4.913 0.521 -8.078 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.918 0.433 -6.974 1.00 0.00 N ATOM 0 H LYS A 8 -8.932 -3.575 -8.788 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.507 -2.702 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.100 -3.455 -7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.460 -3.423 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.338 -1.041 -8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.241 -1.317 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.382 -1.491 -8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.557 -0.755 -9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.515 1.147 -8.876 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.818 1.007 -7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.706 1.388 -6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.307 -0.144 -6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.045 -0.007 -7.328 1.00 0.00 H new ATOM 88 N PRO A 9 -5.375 -4.990 -10.349 1.00 0.00 N ATOM 89 CA PRO A 9 -4.869 -6.315 -10.718 1.00 0.00 C ATOM 90 C PRO A 9 -4.596 -7.192 -9.501 1.00 0.00 C ATOM 91 O PRO A 9 -4.663 -6.728 -8.364 1.00 0.00 O ATOM 92 CB PRO A 9 -3.565 -6.004 -11.456 1.00 0.00 C ATOM 93 CG PRO A 9 -3.130 -4.685 -10.918 1.00 0.00 C ATOM 94 CD PRO A 9 -4.392 -3.926 -10.613 1.00 0.00 C ATOM 0 HA PRO A 9 -5.590 -6.874 -11.315 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.814 -6.773 -11.274 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.721 -5.960 -12.534 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.523 -4.810 -10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.518 -4.150 -11.644 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.268 -3.270 -9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.695 -3.298 -11.450 1.00 0.00 H new ATOM 102 N GLU A 10 -4.289 -8.461 -9.749 1.00 0.00 N ATOM 103 CA GLU A 10 -4.006 -9.403 -8.671 1.00 0.00 C ATOM 104 C GLU A 10 -2.503 -9.611 -8.511 1.00 0.00 C ATOM 105 O GLU A 10 -1.981 -9.608 -7.397 1.00 0.00 O ATOM 106 CB GLU A 10 -4.693 -10.743 -8.942 1.00 0.00 C ATOM 107 CG GLU A 10 -4.586 -11.201 -10.386 1.00 0.00 C ATOM 108 CD GLU A 10 -5.203 -12.567 -10.613 1.00 0.00 C ATOM 109 OE1 GLU A 10 -4.700 -13.549 -10.028 1.00 0.00 O ATOM 110 OE2 GLU A 10 -6.189 -12.655 -11.374 1.00 0.00 O ATOM 0 H GLU A 10 -4.230 -8.861 -10.685 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.397 -8.984 -7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.255 -11.503 -8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.746 -10.663 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.078 -10.473 -11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.536 -11.228 -10.678 1.00 0.00 H new ATOM 117 N TRP A 11 -1.815 -9.793 -9.632 1.00 0.00 N ATOM 118 CA TRP A 11 -0.372 -10.004 -9.617 1.00 0.00 C ATOM 119 C TRP A 11 0.321 -8.968 -8.738 1.00 0.00 C ATOM 120 O TRP A 11 1.371 -9.238 -8.157 1.00 0.00 O ATOM 121 CB TRP A 11 0.188 -9.941 -11.039 1.00 0.00 C ATOM 122 CG TRP A 11 -0.165 -8.676 -11.761 1.00 0.00 C ATOM 123 CD1 TRP A 11 -1.350 -8.386 -12.375 1.00 0.00 C ATOM 124 CD2 TRP A 11 0.675 -7.531 -11.946 1.00 0.00 C ATOM 125 NE1 TRP A 11 -1.298 -7.130 -12.930 1.00 0.00 N ATOM 126 CE2 TRP A 11 -0.067 -6.585 -12.680 1.00 0.00 C ATOM 127 CE3 TRP A 11 1.980 -7.212 -11.561 1.00 0.00 C ATOM 128 CZ2 TRP A 11 0.456 -5.344 -13.036 1.00 0.00 C ATOM 129 CZ3 TRP A 11 2.497 -5.981 -11.915 1.00 0.00 C ATOM 130 CH2 TRP A 11 1.736 -5.059 -12.646 1.00 0.00 C ATOM 0 H TRP A 11 -2.233 -9.799 -10.563 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.179 -10.993 -9.201 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.273 -10.037 -10.999 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.187 -10.792 -11.607 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.203 -9.047 -12.418 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.053 -6.677 -13.444 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.574 -7.916 -10.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.128 -4.632 -13.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.505 -5.725 -11.623 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.169 -4.104 -12.907 1.00 0.00 H new ATOM 141 N MET A 12 -0.275 -7.784 -8.646 1.00 0.00 N ATOM 142 CA MET A 12 0.286 -6.708 -7.836 1.00 0.00 C ATOM 143 C MET A 12 0.196 -7.043 -6.350 1.00 0.00 C ATOM 144 O MET A 12 -0.897 -7.182 -5.801 1.00 0.00 O ATOM 145 CB MET A 12 -0.444 -5.394 -8.119 1.00 0.00 C ATOM 146 CG MET A 12 0.165 -4.595 -9.260 1.00 0.00 C ATOM 147 SD MET A 12 1.862 -4.087 -8.924 1.00 0.00 S ATOM 148 CE MET A 12 1.900 -2.484 -9.721 1.00 0.00 C ATOM 0 H MET A 12 -1.145 -7.545 -9.121 1.00 0.00 H new ATOM 0 HA MET A 12 1.337 -6.596 -8.103 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.486 -5.610 -8.353 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.440 -4.784 -7.216 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.143 -5.194 -10.170 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.445 -3.711 -9.445 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.888 -2.041 -9.600 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.682 -2.600 -10.783 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.153 -1.834 -9.266 1.00 0.00 H new ATOM 158 N MET A 13 1.351 -7.172 -5.706 1.00 0.00 N ATOM 159 CA MET A 13 1.401 -7.490 -4.284 1.00 0.00 C ATOM 160 C MET A 13 1.984 -6.327 -3.487 1.00 0.00 C ATOM 161 O MET A 13 2.434 -5.334 -4.060 1.00 0.00 O ATOM 162 CB MET A 13 2.235 -8.751 -4.051 1.00 0.00 C ATOM 163 CG MET A 13 1.928 -9.872 -5.031 1.00 0.00 C ATOM 164 SD MET A 13 3.358 -10.921 -5.355 1.00 0.00 S ATOM 165 CE MET A 13 4.430 -9.775 -6.218 1.00 0.00 C ATOM 0 H MET A 13 2.265 -7.061 -6.146 1.00 0.00 H new ATOM 0 HA MET A 13 0.382 -7.668 -3.941 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.292 -8.496 -4.123 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.062 -9.109 -3.036 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.116 -10.483 -4.636 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.577 -9.443 -5.969 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.474 -10.043 -7.274 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.038 -8.763 -6.116 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.431 -9.821 -5.790 1.00 0.00 H new ATOM 175 N ILE A 14 1.973 -6.457 -2.165 1.00 0.00 N ATOM 176 CA ILE A 14 2.501 -5.416 -1.291 1.00 0.00 C ATOM 177 C ILE A 14 3.618 -5.958 -0.405 1.00 0.00 C ATOM 178 O ILE A 14 3.361 -6.604 0.611 1.00 0.00 O ATOM 179 CB ILE A 14 1.398 -4.817 -0.399 1.00 0.00 C ATOM 180 CG1 ILE A 14 0.355 -4.095 -1.254 1.00 0.00 C ATOM 181 CG2 ILE A 14 2.002 -3.867 0.624 1.00 0.00 C ATOM 182 CD1 ILE A 14 -0.752 -3.456 -0.446 1.00 0.00 C ATOM 0 H ILE A 14 1.605 -7.272 -1.675 1.00 0.00 H new ATOM 0 HA ILE A 14 2.899 -4.633 -1.936 1.00 0.00 H new ATOM 0 HB ILE A 14 0.903 -5.628 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.852 -3.326 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.082 -4.805 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.210 -3.452 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.710 -4.409 1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.520 -3.058 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.454 -2.963 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.274 -4.223 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.326 -2.721 0.237 1.00 0.00 H new ATOM 194 N HIS A 15 4.859 -5.688 -0.797 1.00 0.00 N ATOM 195 CA HIS A 15 6.017 -6.146 -0.037 1.00 0.00 C ATOM 196 C HIS A 15 5.902 -5.736 1.429 1.00 0.00 C ATOM 197 O HIS A 15 5.877 -6.585 2.320 1.00 0.00 O ATOM 198 CB HIS A 15 7.304 -5.579 -0.637 1.00 0.00 C ATOM 199 CG HIS A 15 8.534 -6.336 -0.239 1.00 0.00 C ATOM 200 ND1 HIS A 15 9.601 -6.538 -1.089 1.00 0.00 N ATOM 201 CD2 HIS A 15 8.864 -6.939 0.927 1.00 0.00 C ATOM 202 CE1 HIS A 15 10.533 -7.235 -0.464 1.00 0.00 C ATOM 203 NE2 HIS A 15 10.111 -7.490 0.762 1.00 0.00 N ATOM 0 H HIS A 15 5.089 -5.155 -1.636 1.00 0.00 H new ATOM 0 HA HIS A 15 6.048 -7.234 -0.091 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.221 -5.582 -1.724 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.412 -4.539 -0.329 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.259 -6.979 1.821 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.479 -7.544 -0.884 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.627 -8.011 1.470 1.00 0.00 H new ATOM 212 N ARG A 16 5.832 -4.431 1.669 1.00 0.00 N ATOM 213 CA ARG A 16 5.721 -3.909 3.026 1.00 0.00 C ATOM 214 C ARG A 16 5.544 -2.394 3.013 1.00 0.00 C ATOM 215 O ARG A 16 6.150 -1.695 2.200 1.00 0.00 O ATOM 216 CB ARG A 16 6.961 -4.282 3.841 1.00 0.00 C ATOM 217 CG ARG A 16 8.249 -3.687 3.297 1.00 0.00 C ATOM 218 CD ARG A 16 9.423 -3.955 4.226 1.00 0.00 C ATOM 219 NE ARG A 16 10.019 -5.267 3.992 1.00 0.00 N ATOM 220 CZ ARG A 16 11.257 -5.587 4.350 1.00 0.00 C ATOM 221 NH1 ARG A 16 12.027 -4.693 4.956 1.00 0.00 N ATOM 222 NH2 ARG A 16 11.728 -6.802 4.102 1.00 0.00 N ATOM 0 H ARG A 16 5.850 -3.716 0.942 1.00 0.00 H new ATOM 0 HA ARG A 16 4.842 -4.356 3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.823 -3.949 4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.055 -5.368 3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.458 -4.108 2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.127 -2.612 3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.180 -3.183 4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.088 -3.889 5.261 1.00 0.00 H new ATOM 0 HE ARG A 16 9.453 -5.977 3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.668 -3.758 5.148 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.978 -4.941 5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.139 -7.492 3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.679 -7.046 4.378 1.00 0.00 H new ATOM 236 N ILE A 17 4.711 -1.893 3.919 1.00 0.00 N ATOM 237 CA ILE A 17 4.456 -0.461 4.012 1.00 0.00 C ATOM 238 C ILE A 17 5.745 0.313 4.267 1.00 0.00 C ATOM 239 O ILE A 17 6.267 0.321 5.383 1.00 0.00 O ATOM 240 CB ILE A 17 3.448 -0.140 5.131 1.00 0.00 C ATOM 241 CG1 ILE A 17 2.068 -0.700 4.780 1.00 0.00 C ATOM 242 CG2 ILE A 17 3.373 1.362 5.362 1.00 0.00 C ATOM 243 CD1 ILE A 17 1.177 -0.911 5.985 1.00 0.00 C ATOM 0 H ILE A 17 4.201 -2.457 4.599 1.00 0.00 H new ATOM 0 HA ILE A 17 4.034 -0.154 3.055 1.00 0.00 H new ATOM 0 HB ILE A 17 3.788 -0.613 6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.574 -0.019 4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.192 -1.649 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.656 1.573 6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.355 1.735 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.053 1.856 4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.215 -1.309 5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.650 -1.616 6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.023 0.040 6.494 1.00 0.00 H new ATOM 255 N LEU A 18 6.254 0.963 3.227 1.00 0.00 N ATOM 256 CA LEU A 18 7.482 1.742 3.338 1.00 0.00 C ATOM 257 C LEU A 18 7.291 2.929 4.277 1.00 0.00 C ATOM 258 O LEU A 18 8.139 3.206 5.124 1.00 0.00 O ATOM 259 CB LEU A 18 7.925 2.234 1.959 1.00 0.00 C ATOM 260 CG LEU A 18 7.981 1.177 0.855 1.00 0.00 C ATOM 261 CD1 LEU A 18 8.594 1.757 -0.409 1.00 0.00 C ATOM 262 CD2 LEU A 18 8.768 -0.039 1.322 1.00 0.00 C ATOM 0 H LEU A 18 5.835 0.966 2.297 1.00 0.00 H new ATOM 0 HA LEU A 18 8.256 1.096 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.246 3.026 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.914 2.682 2.056 1.00 0.00 H new ATOM 0 HG LEU A 18 6.963 0.862 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.625 0.990 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.990 2.596 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.607 2.101 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.798 -0.781 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.784 0.261 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.286 -0.469 2.200 1.00 0.00 H new ATOM 274 N ASN A 19 6.171 3.627 4.120 1.00 0.00 N ATOM 275 CA ASN A 19 5.867 4.784 4.954 1.00 0.00 C ATOM 276 C ASN A 19 4.418 5.222 4.769 1.00 0.00 C ATOM 277 O ASN A 19 3.694 4.677 3.936 1.00 0.00 O ATOM 278 CB ASN A 19 6.809 5.942 4.619 1.00 0.00 C ATOM 279 CG ASN A 19 6.896 6.959 5.740 1.00 0.00 C ATOM 280 OD1 ASN A 19 6.477 8.107 5.586 1.00 0.00 O ATOM 281 ND2 ASN A 19 7.442 6.542 6.877 1.00 0.00 N ATOM 0 H ASN A 19 5.459 3.411 3.423 1.00 0.00 H new ATOM 0 HA ASN A 19 6.011 4.498 5.996 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.804 5.549 4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.465 6.436 3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.527 7.182 7.667 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.776 5.582 6.960 1.00 0.00 H new ATOM 288 N HIS A 20 4.000 6.212 5.553 1.00 0.00 N ATOM 289 CA HIS A 20 2.637 6.726 5.475 1.00 0.00 C ATOM 290 C HIS A 20 2.625 8.249 5.552 1.00 0.00 C ATOM 291 O HIS A 20 3.561 8.862 6.066 1.00 0.00 O ATOM 292 CB HIS A 20 1.784 6.140 6.600 1.00 0.00 C ATOM 293 CG HIS A 20 1.907 6.884 7.894 1.00 0.00 C ATOM 294 ND1 HIS A 20 2.746 6.486 8.914 1.00 0.00 N ATOM 295 CD2 HIS A 20 1.291 8.007 8.331 1.00 0.00 C ATOM 296 CE1 HIS A 20 2.640 7.333 9.923 1.00 0.00 C ATOM 297 NE2 HIS A 20 1.764 8.265 9.594 1.00 0.00 N ATOM 0 H HIS A 20 4.586 6.674 6.249 1.00 0.00 H new ATOM 0 HA HIS A 20 2.216 6.426 4.515 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.739 6.138 6.289 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.071 5.101 6.759 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.353 5.667 8.893 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.563 8.591 7.788 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.178 7.273 10.857 1.00 0.00 H new ATOM 306 N SER A 21 1.560 8.855 5.037 1.00 0.00 N ATOM 307 CA SER A 21 1.429 10.307 5.043 1.00 0.00 C ATOM 308 C SER A 21 -0.002 10.725 4.718 1.00 0.00 C ATOM 309 O SER A 21 -0.611 10.215 3.778 1.00 0.00 O ATOM 310 CB SER A 21 2.396 10.932 4.036 1.00 0.00 C ATOM 311 OG SER A 21 2.030 12.269 3.739 1.00 0.00 O ATOM 0 H SER A 21 0.775 8.363 4.610 1.00 0.00 H new ATOM 0 HA SER A 21 1.675 10.665 6.043 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.409 10.910 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.404 10.342 3.120 1.00 0.00 H new ATOM 0 HG SER A 21 2.664 12.646 3.094 1.00 0.00 H new ATOM 317 N VAL A 22 -0.532 11.657 5.504 1.00 0.00 N ATOM 318 CA VAL A 22 -1.891 12.145 5.301 1.00 0.00 C ATOM 319 C VAL A 22 -1.898 13.419 4.464 1.00 0.00 C ATOM 320 O VAL A 22 -1.317 14.433 4.853 1.00 0.00 O ATOM 321 CB VAL A 22 -2.595 12.422 6.643 1.00 0.00 C ATOM 322 CG1 VAL A 22 -4.017 12.907 6.410 1.00 0.00 C ATOM 323 CG2 VAL A 22 -2.584 11.177 7.516 1.00 0.00 C ATOM 0 H VAL A 22 -0.041 12.089 6.287 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.432 11.362 4.770 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.050 13.209 7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.498 13.097 7.369 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.997 13.827 5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.577 12.145 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.085 11.390 8.460 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.105 10.368 7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.554 10.879 7.711 1.00 0.00 H new ATOM 333 N ASP A 23 -2.558 13.361 3.313 1.00 0.00 N ATOM 334 CA ASP A 23 -2.643 14.511 2.420 1.00 0.00 C ATOM 335 C ASP A 23 -3.398 15.659 3.083 1.00 0.00 C ATOM 336 O ASP A 23 -3.940 15.510 4.177 1.00 0.00 O ATOM 337 CB ASP A 23 -3.331 14.119 1.112 1.00 0.00 C ATOM 338 CG ASP A 23 -2.986 15.057 -0.028 1.00 0.00 C ATOM 339 OD1 ASP A 23 -1.801 15.433 -0.148 1.00 0.00 O ATOM 340 OD2 ASP A 23 -3.900 15.415 -0.800 1.00 0.00 O ATOM 0 H ASP A 23 -3.043 12.529 2.976 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.629 14.845 2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.041 13.103 0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.411 14.114 1.260 1.00 0.00 H new ATOM 345 N LYS A 24 -3.427 16.806 2.412 1.00 0.00 N ATOM 346 CA LYS A 24 -4.115 17.980 2.934 1.00 0.00 C ATOM 347 C LYS A 24 -5.608 17.711 3.092 1.00 0.00 C ATOM 348 O LYS A 24 -6.214 18.083 4.098 1.00 0.00 O ATOM 349 CB LYS A 24 -3.897 19.179 2.008 1.00 0.00 C ATOM 350 CG LYS A 24 -4.286 20.508 2.631 1.00 0.00 C ATOM 351 CD LYS A 24 -3.472 21.654 2.053 1.00 0.00 C ATOM 352 CE LYS A 24 -3.710 22.948 2.816 1.00 0.00 C ATOM 353 NZ LYS A 24 -4.888 23.693 2.291 1.00 0.00 N ATOM 0 H LYS A 24 -2.982 16.947 1.505 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.699 18.207 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.847 19.217 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.475 19.032 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.347 20.693 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.137 20.463 3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.412 21.401 2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.734 21.795 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.863 22.724 3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.823 23.578 2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.017 24.569 2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.732 23.929 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.739 23.102 2.378 1.00 0.00 H new ATOM 367 N LYS A 25 -6.196 17.061 2.094 1.00 0.00 N ATOM 368 CA LYS A 25 -7.618 16.738 2.123 1.00 0.00 C ATOM 369 C LYS A 25 -7.982 15.996 3.404 1.00 0.00 C ATOM 370 O LYS A 25 -9.007 16.274 4.024 1.00 0.00 O ATOM 371 CB LYS A 25 -7.994 15.891 0.905 1.00 0.00 C ATOM 372 CG LYS A 25 -8.285 16.711 -0.340 1.00 0.00 C ATOM 373 CD LYS A 25 -9.739 17.148 -0.393 1.00 0.00 C ATOM 374 CE LYS A 25 -10.049 17.899 -1.678 1.00 0.00 C ATOM 375 NZ LYS A 25 -11.239 18.783 -1.532 1.00 0.00 N ATOM 0 H LYS A 25 -5.710 16.747 1.254 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.178 17.673 2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.181 15.197 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.871 15.290 1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.639 17.589 -0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.048 16.124 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.386 16.274 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.960 17.784 0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.185 18.498 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.224 17.185 -2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.417 19.277 -2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.069 18.209 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.063 19.481 -0.782 1.00 0.00 H new ATOM 389 N GLY A 26 -7.133 15.050 3.797 1.00 0.00 N ATOM 390 CA GLY A 26 -7.383 14.283 5.003 1.00 0.00 C ATOM 391 C GLY A 26 -7.267 12.789 4.775 1.00 0.00 C ATOM 392 O GLY A 26 -7.286 12.006 5.725 1.00 0.00 O ATOM 0 H GLY A 26 -6.277 14.802 3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.676 14.585 5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.381 14.514 5.376 1.00 0.00 H new ATOM 396 N HIS A 27 -7.148 12.392 3.512 1.00 0.00 N ATOM 397 CA HIS A 27 -7.030 10.981 3.162 1.00 0.00 C ATOM 398 C HIS A 27 -5.636 10.455 3.490 1.00 0.00 C ATOM 399 O HIS A 27 -4.637 10.943 2.963 1.00 0.00 O ATOM 400 CB HIS A 27 -7.329 10.776 1.676 1.00 0.00 C ATOM 401 CG HIS A 27 -8.791 10.679 1.367 1.00 0.00 C ATOM 402 ND1 HIS A 27 -9.360 9.580 0.760 1.00 0.00 N ATOM 403 CD2 HIS A 27 -9.802 11.552 1.586 1.00 0.00 C ATOM 404 CE1 HIS A 27 -10.658 9.782 0.617 1.00 0.00 C ATOM 405 NE2 HIS A 27 -10.952 10.971 1.111 1.00 0.00 N ATOM 0 H HIS A 27 -7.131 13.027 2.714 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.758 10.423 3.752 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.901 11.603 1.110 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.833 9.867 1.336 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.720 12.525 2.048 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.359 9.092 0.172 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.882 11.390 1.136 1.00 0.00 H new ATOM 414 N VAL A 28 -5.577 9.456 4.366 1.00 0.00 N ATOM 415 CA VAL A 28 -4.306 8.864 4.764 1.00 0.00 C ATOM 416 C VAL A 28 -3.722 8.012 3.643 1.00 0.00 C ATOM 417 O VAL A 28 -4.396 7.137 3.097 1.00 0.00 O ATOM 418 CB VAL A 28 -4.463 7.995 6.026 1.00 0.00 C ATOM 419 CG1 VAL A 28 -3.215 7.156 6.257 1.00 0.00 C ATOM 420 CG2 VAL A 28 -4.763 8.865 7.238 1.00 0.00 C ATOM 0 H VAL A 28 -6.394 9.041 4.813 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.627 9.688 4.981 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.304 7.317 5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.345 6.549 7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.050 6.505 5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.354 7.812 6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.871 8.235 8.121 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.945 9.569 7.392 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.688 9.416 7.070 1.00 0.00 H new ATOM 430 N HIS A 29 -2.463 8.271 3.305 1.00 0.00 N ATOM 431 CA HIS A 29 -1.786 7.527 2.249 1.00 0.00 C ATOM 432 C HIS A 29 -0.692 6.635 2.828 1.00 0.00 C ATOM 433 O HIS A 29 -0.042 6.992 3.811 1.00 0.00 O ATOM 434 CB HIS A 29 -1.186 8.489 1.222 1.00 0.00 C ATOM 435 CG HIS A 29 -2.207 9.332 0.523 1.00 0.00 C ATOM 436 ND1 HIS A 29 -3.554 9.282 0.817 1.00 0.00 N ATOM 437 CD2 HIS A 29 -2.072 10.253 -0.460 1.00 0.00 C ATOM 438 CE1 HIS A 29 -4.203 10.133 0.044 1.00 0.00 C ATOM 439 NE2 HIS A 29 -3.327 10.736 -0.740 1.00 0.00 N ATOM 0 H HIS A 29 -1.891 8.991 3.747 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.523 6.894 1.755 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.470 9.141 1.722 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.631 7.915 0.480 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.150 10.552 -0.935 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.269 10.307 0.051 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.547 11.445 -1.440 1.00 0.00 H new ATOM 448 N TYR A 30 -0.494 5.475 2.213 1.00 0.00 N ATOM 449 CA TYR A 30 0.518 4.530 2.670 1.00 0.00 C ATOM 450 C TYR A 30 1.446 4.131 1.526 1.00 0.00 C ATOM 451 O TYR A 30 1.041 3.428 0.599 1.00 0.00 O ATOM 452 CB TYR A 30 -0.145 3.286 3.262 1.00 0.00 C ATOM 453 CG TYR A 30 -0.967 3.568 4.499 1.00 0.00 C ATOM 454 CD1 TYR A 30 -0.375 3.609 5.756 1.00 0.00 C ATOM 455 CD2 TYR A 30 -2.335 3.793 4.412 1.00 0.00 C ATOM 456 CE1 TYR A 30 -1.122 3.866 6.889 1.00 0.00 C ATOM 457 CE2 TYR A 30 -3.090 4.052 5.540 1.00 0.00 C ATOM 458 CZ TYR A 30 -2.479 4.088 6.776 1.00 0.00 C ATOM 459 OH TYR A 30 -3.227 4.344 7.902 1.00 0.00 O ATOM 0 H TYR A 30 -1.021 5.166 1.396 1.00 0.00 H new ATOM 0 HA TYR A 30 1.112 5.018 3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.786 2.832 2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.626 2.556 3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.687 3.437 5.848 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.817 3.765 3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.646 3.893 7.858 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.153 4.225 5.454 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.638 4.379 8.685 1.00 0.00 H new ATOM 469 N LEU A 31 2.693 4.584 1.599 1.00 0.00 N ATOM 470 CA LEU A 31 3.680 4.274 0.571 1.00 0.00 C ATOM 471 C LEU A 31 3.816 2.767 0.383 1.00 0.00 C ATOM 472 O LEU A 31 4.629 2.119 1.043 1.00 0.00 O ATOM 473 CB LEU A 31 5.036 4.878 0.940 1.00 0.00 C ATOM 474 CG LEU A 31 6.158 4.684 -0.081 1.00 0.00 C ATOM 475 CD1 LEU A 31 5.669 5.019 -1.481 1.00 0.00 C ATOM 476 CD2 LEU A 31 7.364 5.537 0.283 1.00 0.00 C ATOM 0 H LEU A 31 3.044 5.167 2.359 1.00 0.00 H new ATOM 0 HA LEU A 31 3.339 4.709 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.902 5.947 1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.357 4.448 1.889 1.00 0.00 H new ATOM 0 HG LEU A 31 6.461 3.637 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.481 4.875 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.837 4.365 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.338 6.057 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.152 5.386 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.076 6.588 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.729 5.249 1.269 1.00 0.00 H new ATOM 488 N ILE A 32 3.017 2.214 -0.524 1.00 0.00 N ATOM 489 CA ILE A 32 3.050 0.784 -0.801 1.00 0.00 C ATOM 490 C ILE A 32 4.308 0.403 -1.574 1.00 0.00 C ATOM 491 O ILE A 32 4.808 1.178 -2.390 1.00 0.00 O ATOM 492 CB ILE A 32 1.813 0.337 -1.603 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.540 0.564 -0.786 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.940 -1.127 -1.999 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.729 0.228 -1.539 1.00 0.00 C ATOM 0 H ILE A 32 2.339 2.735 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 32 3.051 0.276 0.163 1.00 0.00 H new ATOM 0 HB ILE A 32 1.751 0.936 -2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.586 -0.041 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.501 1.607 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.059 -1.429 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.830 -1.262 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.023 -1.741 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.592 0.413 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.799 0.851 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.712 -0.822 -1.830 1.00 0.00 H new ATOM 507 N LYS A 33 4.815 -0.797 -1.314 1.00 0.00 N ATOM 508 CA LYS A 33 6.014 -1.284 -1.987 1.00 0.00 C ATOM 509 C LYS A 33 5.691 -2.483 -2.873 1.00 0.00 C ATOM 510 O LYS A 33 5.431 -3.580 -2.379 1.00 0.00 O ATOM 511 CB LYS A 33 7.080 -1.669 -0.958 1.00 0.00 C ATOM 512 CG LYS A 33 8.102 -2.662 -1.485 1.00 0.00 C ATOM 513 CD LYS A 33 9.044 -2.014 -2.486 1.00 0.00 C ATOM 514 CE LYS A 33 10.355 -2.778 -2.592 1.00 0.00 C ATOM 515 NZ LYS A 33 10.186 -4.071 -3.312 1.00 0.00 N ATOM 0 H LYS A 33 4.414 -1.451 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 33 6.399 -0.482 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.597 -0.768 -0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.591 -2.094 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.677 -3.069 -0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.588 -3.499 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.565 -1.973 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.244 -0.985 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.091 -2.166 -3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.747 -2.967 -1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.830 -4.780 -2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.204 -4.398 -3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.405 -3.938 -4.320 1.00 0.00 H new ATOM 529 N TRP A 34 5.711 -2.266 -4.183 1.00 0.00 N ATOM 530 CA TRP A 34 5.421 -3.329 -5.138 1.00 0.00 C ATOM 531 C TRP A 34 6.513 -4.393 -5.115 1.00 0.00 C ATOM 532 O TRP A 34 7.584 -4.210 -5.694 1.00 0.00 O ATOM 533 CB TRP A 34 5.284 -2.753 -6.548 1.00 0.00 C ATOM 534 CG TRP A 34 4.240 -1.682 -6.653 1.00 0.00 C ATOM 535 CD1 TRP A 34 4.425 -0.395 -7.069 1.00 0.00 C ATOM 536 CD2 TRP A 34 2.849 -1.807 -6.335 1.00 0.00 C ATOM 537 NE1 TRP A 34 3.234 0.289 -7.028 1.00 0.00 N ATOM 538 CE2 TRP A 34 2.252 -0.556 -6.582 1.00 0.00 C ATOM 539 CE3 TRP A 34 2.051 -2.854 -5.867 1.00 0.00 C ATOM 540 CZ2 TRP A 34 0.894 -0.326 -6.376 1.00 0.00 C ATOM 541 CZ3 TRP A 34 0.704 -2.624 -5.662 1.00 0.00 C ATOM 542 CH2 TRP A 34 0.136 -1.369 -5.917 1.00 0.00 C ATOM 0 H TRP A 34 5.925 -1.364 -4.608 1.00 0.00 H new ATOM 0 HA TRP A 34 4.478 -3.795 -4.850 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.245 -2.346 -6.861 1.00 0.00 H new ATOM 0 HB3 TRP A 34 5.039 -3.559 -7.240 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.369 0.024 -7.384 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.102 1.267 -7.287 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.479 -3.826 -5.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.455 0.641 -6.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 0.078 -3.426 -5.299 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.920 -1.222 -5.748 1.00 0.00 H new ATOM 553 N ARG A 35 6.235 -5.506 -4.443 1.00 0.00 N ATOM 554 CA ARG A 35 7.194 -6.599 -4.344 1.00 0.00 C ATOM 555 C ARG A 35 8.021 -6.713 -5.621 1.00 0.00 C ATOM 556 O ARG A 35 9.252 -6.696 -5.579 1.00 0.00 O ATOM 557 CB ARG A 35 6.470 -7.919 -4.073 1.00 0.00 C ATOM 558 CG ARG A 35 5.922 -8.034 -2.660 1.00 0.00 C ATOM 559 CD ARG A 35 5.551 -9.469 -2.321 1.00 0.00 C ATOM 560 NE ARG A 35 6.671 -10.200 -1.736 1.00 0.00 N ATOM 561 CZ ARG A 35 6.612 -11.481 -1.388 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.492 -12.168 -1.567 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.674 -12.077 -0.861 1.00 0.00 N ATOM 0 H ARG A 35 5.353 -5.674 -3.959 1.00 0.00 H new ATOM 0 HA ARG A 35 7.867 -6.385 -3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.649 -8.025 -4.782 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.158 -8.745 -4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.665 -7.672 -1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.044 -7.396 -2.556 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.713 -9.472 -1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.217 -9.980 -3.224 1.00 0.00 H new ATOM 0 HE ARG A 35 7.547 -9.700 -1.586 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.674 -11.713 -1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.449 -13.151 -1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.537 -11.552 -0.722 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.627 -13.060 -0.594 1.00 0.00 H new ATOM 577 N ASP A 36 7.338 -6.830 -6.754 1.00 0.00 N ATOM 578 CA ASP A 36 8.008 -6.947 -8.044 1.00 0.00 C ATOM 579 C ASP A 36 9.028 -5.827 -8.229 1.00 0.00 C ATOM 580 O ASP A 36 10.202 -6.081 -8.502 1.00 0.00 O ATOM 581 CB ASP A 36 6.985 -6.916 -9.180 1.00 0.00 C ATOM 582 CG ASP A 36 7.570 -7.379 -10.499 1.00 0.00 C ATOM 583 OD1 ASP A 36 8.669 -6.907 -10.859 1.00 0.00 O ATOM 584 OD2 ASP A 36 6.930 -8.213 -11.173 1.00 0.00 O ATOM 0 H ASP A 36 6.319 -6.846 -6.805 1.00 0.00 H new ATOM 0 HA ASP A 36 8.534 -7.901 -8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.138 -7.550 -8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.602 -5.902 -9.292 1.00 0.00 H new ATOM 589 N LEU A 37 8.571 -4.588 -8.080 1.00 0.00 N ATOM 590 CA LEU A 37 9.443 -3.429 -8.233 1.00 0.00 C ATOM 591 C LEU A 37 10.295 -3.220 -6.985 1.00 0.00 C ATOM 592 O LEU A 37 9.913 -3.588 -5.874 1.00 0.00 O ATOM 593 CB LEU A 37 8.612 -2.175 -8.512 1.00 0.00 C ATOM 594 CG LEU A 37 7.647 -2.259 -9.695 1.00 0.00 C ATOM 595 CD1 LEU A 37 6.778 -1.013 -9.765 1.00 0.00 C ATOM 596 CD2 LEU A 37 8.414 -2.450 -10.996 1.00 0.00 C ATOM 0 H LEU A 37 7.603 -4.361 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 37 10.107 -3.614 -9.077 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.038 -1.937 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.294 -1.342 -8.684 1.00 0.00 H new ATOM 0 HG LEU A 37 6.997 -3.122 -9.549 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.098 -1.091 -10.613 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.201 -0.919 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.411 -0.134 -9.887 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.711 -2.508 -11.827 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.088 -1.607 -11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.993 -3.372 -10.945 1.00 0.00 H new ATOM 608 N PRO A 38 11.477 -2.614 -7.170 1.00 0.00 N ATOM 609 CA PRO A 38 12.407 -2.340 -6.070 1.00 0.00 C ATOM 610 C PRO A 38 11.888 -1.258 -5.128 1.00 0.00 C ATOM 611 O PRO A 38 10.796 -0.725 -5.322 1.00 0.00 O ATOM 612 CB PRO A 38 13.673 -1.864 -6.786 1.00 0.00 C ATOM 613 CG PRO A 38 13.190 -1.317 -8.085 1.00 0.00 C ATOM 614 CD PRO A 38 11.997 -2.148 -8.466 1.00 0.00 C ATOM 0 HA PRO A 38 12.562 -3.215 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.194 -1.103 -6.205 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.374 -2.685 -6.938 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.919 -0.266 -7.989 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.967 -1.377 -8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.256 -1.561 -9.009 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.277 -2.982 -9.110 1.00 0.00 H new ATOM 622 N TYR A 39 12.679 -0.939 -4.109 1.00 0.00 N ATOM 623 CA TYR A 39 12.298 0.078 -3.137 1.00 0.00 C ATOM 624 C TYR A 39 12.307 1.467 -3.768 1.00 0.00 C ATOM 625 O TYR A 39 11.450 2.300 -3.475 1.00 0.00 O ATOM 626 CB TYR A 39 13.246 0.045 -1.936 1.00 0.00 C ATOM 627 CG TYR A 39 12.630 0.583 -0.664 1.00 0.00 C ATOM 628 CD1 TYR A 39 12.496 1.950 -0.457 1.00 0.00 C ATOM 629 CD2 TYR A 39 12.182 -0.278 0.331 1.00 0.00 C ATOM 630 CE1 TYR A 39 11.935 2.445 0.704 1.00 0.00 C ATOM 631 CE2 TYR A 39 11.618 0.208 1.495 1.00 0.00 C ATOM 632 CZ TYR A 39 11.498 1.570 1.677 1.00 0.00 C ATOM 633 OH TYR A 39 10.937 2.059 2.834 1.00 0.00 O ATOM 0 H TYR A 39 13.587 -1.370 -3.935 1.00 0.00 H new ATOM 0 HA TYR A 39 11.285 -0.140 -2.799 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.569 -0.982 -1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.138 0.625 -2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.836 2.638 -1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 39 12.276 -1.345 0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.839 3.511 0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 39 11.273 -0.474 2.258 1.00 0.00 H new ATOM 0 HH TYR A 39 10.681 1.312 3.415 1.00 0.00 H new ATOM 643 N ASP A 40 13.283 1.708 -4.637 1.00 0.00 N ATOM 644 CA ASP A 40 13.404 2.994 -5.313 1.00 0.00 C ATOM 645 C ASP A 40 12.276 3.187 -6.322 1.00 0.00 C ATOM 646 O ASP A 40 12.074 4.285 -6.838 1.00 0.00 O ATOM 647 CB ASP A 40 14.758 3.098 -6.017 1.00 0.00 C ATOM 648 CG ASP A 40 15.256 1.757 -6.517 1.00 0.00 C ATOM 649 OD1 ASP A 40 15.641 0.917 -5.677 1.00 0.00 O ATOM 650 OD2 ASP A 40 15.261 1.546 -7.748 1.00 0.00 O ATOM 0 H ASP A 40 14.002 1.030 -4.890 1.00 0.00 H new ATOM 0 HA ASP A 40 13.332 3.780 -4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.675 3.788 -6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 40 15.490 3.520 -5.329 1.00 0.00 H new ATOM 655 N GLN A 41 11.547 2.111 -6.599 1.00 0.00 N ATOM 656 CA GLN A 41 10.441 2.162 -7.547 1.00 0.00 C ATOM 657 C GLN A 41 9.105 2.276 -6.820 1.00 0.00 C ATOM 658 O GLN A 41 8.078 2.572 -7.431 1.00 0.00 O ATOM 659 CB GLN A 41 10.446 0.917 -8.436 1.00 0.00 C ATOM 660 CG GLN A 41 11.263 1.081 -9.708 1.00 0.00 C ATOM 661 CD GLN A 41 10.816 0.144 -10.813 1.00 0.00 C ATOM 662 OE1 GLN A 41 9.754 0.329 -11.408 1.00 0.00 O ATOM 663 NE2 GLN A 41 11.627 -0.869 -11.094 1.00 0.00 N ATOM 0 H GLN A 41 11.702 1.194 -6.181 1.00 0.00 H new ATOM 0 HA GLN A 41 10.571 3.046 -8.171 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.841 0.076 -7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.419 0.667 -8.703 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.184 2.111 -10.056 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.315 0.899 -9.486 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.498 -0.984 -10.575 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.379 -1.532 -11.828 1.00 0.00 H new ATOM 672 N ALA A 42 9.126 2.040 -5.513 1.00 0.00 N ATOM 673 CA ALA A 42 7.917 2.118 -4.702 1.00 0.00 C ATOM 674 C ALA A 42 7.080 3.334 -5.082 1.00 0.00 C ATOM 675 O ALA A 42 7.614 4.366 -5.487 1.00 0.00 O ATOM 676 CB ALA A 42 8.275 2.162 -3.224 1.00 0.00 C ATOM 0 H ALA A 42 9.968 1.793 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 42 7.322 1.225 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.363 2.220 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.826 1.260 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.894 3.037 -3.025 1.00 0.00 H new ATOM 682 N SER A 43 5.763 3.205 -4.950 1.00 0.00 N ATOM 683 CA SER A 43 4.851 4.293 -5.284 1.00 0.00 C ATOM 684 C SER A 43 3.873 4.552 -4.142 1.00 0.00 C ATOM 685 O SER A 43 3.534 3.644 -3.383 1.00 0.00 O ATOM 686 CB SER A 43 4.082 3.966 -6.565 1.00 0.00 C ATOM 687 OG SER A 43 4.775 4.433 -7.709 1.00 0.00 O ATOM 0 H SER A 43 5.304 2.358 -4.614 1.00 0.00 H new ATOM 0 HA SER A 43 5.443 5.194 -5.444 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.935 2.889 -6.640 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.092 4.421 -6.525 1.00 0.00 H new ATOM 0 HG SER A 43 4.264 4.210 -8.515 1.00 0.00 H new ATOM 693 N TRP A 44 3.424 5.796 -4.027 1.00 0.00 N ATOM 694 CA TRP A 44 2.485 6.176 -2.977 1.00 0.00 C ATOM 695 C TRP A 44 1.051 5.861 -3.390 1.00 0.00 C ATOM 696 O TRP A 44 0.594 6.287 -4.450 1.00 0.00 O ATOM 697 CB TRP A 44 2.621 7.665 -2.656 1.00 0.00 C ATOM 698 CG TRP A 44 3.684 7.959 -1.641 1.00 0.00 C ATOM 699 CD1 TRP A 44 4.957 8.389 -1.888 1.00 0.00 C ATOM 700 CD2 TRP A 44 3.567 7.842 -0.219 1.00 0.00 C ATOM 701 NE1 TRP A 44 5.637 8.547 -0.705 1.00 0.00 N ATOM 702 CE2 TRP A 44 4.807 8.219 0.333 1.00 0.00 C ATOM 703 CE3 TRP A 44 2.535 7.458 0.641 1.00 0.00 C ATOM 704 CZ2 TRP A 44 5.040 8.220 1.706 1.00 0.00 C ATOM 705 CZ3 TRP A 44 2.768 7.460 2.003 1.00 0.00 C ATOM 706 CH2 TRP A 44 4.012 7.839 2.525 1.00 0.00 C ATOM 0 H TRP A 44 3.694 6.559 -4.647 1.00 0.00 H new ATOM 0 HA TRP A 44 2.722 5.597 -2.085 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.845 8.208 -3.574 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.665 8.039 -2.289 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.368 8.577 -2.869 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.604 8.858 -0.615 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.573 7.165 0.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.998 8.511 2.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.978 7.164 2.677 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.162 7.830 3.594 1.00 0.00 H new ATOM 717 N GLU A 45 0.347 5.113 -2.546 1.00 0.00 N ATOM 718 CA GLU A 45 -1.035 4.742 -2.826 1.00 0.00 C ATOM 719 C GLU A 45 -1.939 5.081 -1.644 1.00 0.00 C ATOM 720 O GLU A 45 -1.741 4.585 -0.535 1.00 0.00 O ATOM 721 CB GLU A 45 -1.131 3.249 -3.143 1.00 0.00 C ATOM 722 CG GLU A 45 -0.234 2.811 -4.289 1.00 0.00 C ATOM 723 CD GLU A 45 -0.610 3.462 -5.606 1.00 0.00 C ATOM 724 OE1 GLU A 45 -1.811 3.736 -5.811 1.00 0.00 O ATOM 725 OE2 GLU A 45 0.297 3.697 -6.431 1.00 0.00 O ATOM 0 H GLU A 45 0.711 4.753 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.369 5.312 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.871 2.679 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.165 3.004 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.801 3.056 -4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.289 1.728 -4.395 1.00 0.00 H new ATOM 732 N SER A 46 -2.931 5.931 -1.890 1.00 0.00 N ATOM 733 CA SER A 46 -3.864 6.340 -0.847 1.00 0.00 C ATOM 734 C SER A 46 -4.472 5.125 -0.154 1.00 0.00 C ATOM 735 O SER A 46 -4.219 3.985 -0.542 1.00 0.00 O ATOM 736 CB SER A 46 -4.973 7.213 -1.438 1.00 0.00 C ATOM 737 OG SER A 46 -5.975 7.487 -0.474 1.00 0.00 O ATOM 0 H SER A 46 -3.109 6.350 -2.803 1.00 0.00 H new ATOM 0 HA SER A 46 -3.311 6.919 -0.107 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.549 8.149 -1.802 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.418 6.710 -2.296 1.00 0.00 H new ATOM 0 HG SER A 46 -6.671 8.048 -0.876 1.00 0.00 H new ATOM 743 N GLU A 47 -5.276 5.378 0.874 1.00 0.00 N ATOM 744 CA GLU A 47 -5.920 4.304 1.622 1.00 0.00 C ATOM 745 C GLU A 47 -7.283 3.967 1.024 1.00 0.00 C ATOM 746 O GLU A 47 -8.129 3.363 1.684 1.00 0.00 O ATOM 747 CB GLU A 47 -6.079 4.701 3.091 1.00 0.00 C ATOM 748 CG GLU A 47 -7.060 5.840 3.312 1.00 0.00 C ATOM 749 CD GLU A 47 -7.562 5.909 4.741 1.00 0.00 C ATOM 750 OE1 GLU A 47 -6.840 5.444 5.647 1.00 0.00 O ATOM 751 OE2 GLU A 47 -8.677 6.430 4.952 1.00 0.00 O ATOM 0 H GLU A 47 -5.497 6.316 1.208 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.286 3.420 1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.411 3.832 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.106 4.989 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.579 6.784 3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.908 5.720 2.638 1.00 0.00 H new ATOM 758 N ASP A 48 -7.487 4.361 -0.228 1.00 0.00 N ATOM 759 CA ASP A 48 -8.746 4.100 -0.915 1.00 0.00 C ATOM 760 C ASP A 48 -8.595 2.953 -1.910 1.00 0.00 C ATOM 761 O ASP A 48 -9.502 2.138 -2.077 1.00 0.00 O ATOM 762 CB ASP A 48 -9.227 5.359 -1.639 1.00 0.00 C ATOM 763 CG ASP A 48 -8.624 5.497 -3.023 1.00 0.00 C ATOM 764 OD1 ASP A 48 -9.027 4.734 -3.925 1.00 0.00 O ATOM 765 OD2 ASP A 48 -7.749 6.370 -3.203 1.00 0.00 O ATOM 0 H ASP A 48 -6.797 4.862 -0.788 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.486 3.814 -0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.314 5.335 -1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.971 6.236 -1.045 1.00 0.00 H new ATOM 770 N VAL A 49 -7.442 2.897 -2.569 1.00 0.00 N ATOM 771 CA VAL A 49 -7.171 1.850 -3.548 1.00 0.00 C ATOM 772 C VAL A 49 -7.465 0.470 -2.971 1.00 0.00 C ATOM 773 O VAL A 49 -7.395 0.264 -1.760 1.00 0.00 O ATOM 774 CB VAL A 49 -5.707 1.893 -4.026 1.00 0.00 C ATOM 775 CG1 VAL A 49 -5.468 3.113 -4.902 1.00 0.00 C ATOM 776 CG2 VAL A 49 -4.759 1.886 -2.836 1.00 0.00 C ATOM 0 H VAL A 49 -6.681 3.564 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.828 2.034 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.510 1.003 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.429 3.127 -5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.123 3.070 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.681 4.017 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.729 1.917 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.953 2.757 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.915 0.979 -2.252 1.00 0.00 H new ATOM 786 N GLU A 50 -7.795 -0.474 -3.848 1.00 0.00 N ATOM 787 CA GLU A 50 -8.100 -1.836 -3.426 1.00 0.00 C ATOM 788 C GLU A 50 -6.939 -2.775 -3.738 1.00 0.00 C ATOM 789 O GLU A 50 -6.553 -2.938 -4.896 1.00 0.00 O ATOM 790 CB GLU A 50 -9.373 -2.333 -4.113 1.00 0.00 C ATOM 791 CG GLU A 50 -9.274 -2.363 -5.629 1.00 0.00 C ATOM 792 CD GLU A 50 -10.631 -2.446 -6.301 1.00 0.00 C ATOM 793 OE1 GLU A 50 -11.570 -1.772 -5.826 1.00 0.00 O ATOM 794 OE2 GLU A 50 -10.755 -3.183 -7.301 1.00 0.00 O ATOM 0 H GLU A 50 -7.858 -0.320 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.258 -1.829 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.603 -3.336 -3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.206 -1.692 -3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.756 -1.468 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.669 -3.217 -5.933 1.00 0.00 H new ATOM 801 N ILE A 51 -6.388 -3.392 -2.698 1.00 0.00 N ATOM 802 CA ILE A 51 -5.273 -4.315 -2.862 1.00 0.00 C ATOM 803 C ILE A 51 -5.416 -5.519 -1.936 1.00 0.00 C ATOM 804 O ILE A 51 -5.914 -5.398 -0.818 1.00 0.00 O ATOM 805 CB ILE A 51 -3.924 -3.625 -2.582 1.00 0.00 C ATOM 806 CG1 ILE A 51 -3.794 -2.353 -3.423 1.00 0.00 C ATOM 807 CG2 ILE A 51 -2.773 -4.576 -2.869 1.00 0.00 C ATOM 808 CD1 ILE A 51 -2.802 -1.358 -2.864 1.00 0.00 C ATOM 0 H ILE A 51 -6.696 -3.269 -1.733 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.292 -4.651 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.886 -3.348 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.493 -2.625 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.771 -1.876 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.827 -4.074 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.861 -5.456 -2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.805 -4.881 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.762 -0.482 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.113 -1.057 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.815 -1.817 -2.814 1.00 0.00 H new ATOM 820 N GLN A 52 -4.973 -6.679 -2.411 1.00 0.00 N ATOM 821 CA GLN A 52 -5.051 -7.905 -1.625 1.00 0.00 C ATOM 822 C GLN A 52 -4.436 -7.706 -0.244 1.00 0.00 C ATOM 823 O GLN A 52 -3.281 -7.298 -0.120 1.00 0.00 O ATOM 824 CB GLN A 52 -4.341 -9.048 -2.353 1.00 0.00 C ATOM 825 CG GLN A 52 -4.930 -10.417 -2.055 1.00 0.00 C ATOM 826 CD GLN A 52 -6.342 -10.572 -2.584 1.00 0.00 C ATOM 827 OE1 GLN A 52 -6.870 -9.681 -3.250 1.00 0.00 O ATOM 828 NE2 GLN A 52 -6.964 -11.708 -2.289 1.00 0.00 N ATOM 0 H GLN A 52 -4.557 -6.795 -3.335 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.103 -8.161 -1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.387 -8.868 -3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.287 -9.046 -2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.295 -11.185 -2.495 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.930 -10.582 -0.978 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.489 -12.420 -1.734 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.916 -11.868 -2.617 1.00 0.00 H new ATOM 837 N ASP A 53 -5.215 -7.996 0.792 1.00 0.00 N ATOM 838 CA ASP A 53 -4.747 -7.850 2.166 1.00 0.00 C ATOM 839 C ASP A 53 -4.157 -6.462 2.394 1.00 0.00 C ATOM 840 O ASP A 53 -3.135 -6.313 3.064 1.00 0.00 O ATOM 841 CB ASP A 53 -3.704 -8.921 2.488 1.00 0.00 C ATOM 842 CG ASP A 53 -4.180 -10.317 2.139 1.00 0.00 C ATOM 843 OD1 ASP A 53 -5.030 -10.856 2.878 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.702 -10.870 1.126 1.00 0.00 O ATOM 0 H ASP A 53 -6.174 -8.334 0.707 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.602 -7.975 2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.786 -8.706 1.941 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.460 -8.878 3.549 1.00 0.00 H new ATOM 849 N TYR A 54 -4.807 -5.449 1.831 1.00 0.00 N ATOM 850 CA TYR A 54 -4.344 -4.073 1.970 1.00 0.00 C ATOM 851 C TYR A 54 -4.476 -3.597 3.414 1.00 0.00 C ATOM 852 O TYR A 54 -3.583 -2.938 3.946 1.00 0.00 O ATOM 853 CB TYR A 54 -5.137 -3.150 1.043 1.00 0.00 C ATOM 854 CG TYR A 54 -4.613 -1.733 1.007 1.00 0.00 C ATOM 855 CD1 TYR A 54 -3.386 -1.410 1.573 1.00 0.00 C ATOM 856 CD2 TYR A 54 -5.345 -0.716 0.405 1.00 0.00 C ATOM 857 CE1 TYR A 54 -2.904 -0.116 1.542 1.00 0.00 C ATOM 858 CE2 TYR A 54 -4.869 0.581 0.368 1.00 0.00 C ATOM 859 CZ TYR A 54 -3.649 0.876 0.939 1.00 0.00 C ATOM 860 OH TYR A 54 -3.171 2.166 0.905 1.00 0.00 O ATOM 0 H TYR A 54 -5.655 -5.555 1.275 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.291 -4.041 1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.120 -3.561 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.179 -3.135 1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.799 -2.184 2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.302 -0.943 -0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.948 0.118 1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.449 1.359 -0.105 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.662 2.679 0.230 1.00 0.00 H new ATOM 870 N ASP A 55 -5.596 -3.937 4.042 1.00 0.00 N ATOM 871 CA ASP A 55 -5.846 -3.547 5.425 1.00 0.00 C ATOM 872 C ASP A 55 -4.894 -4.269 6.373 1.00 0.00 C ATOM 873 O ASP A 55 -4.393 -3.681 7.333 1.00 0.00 O ATOM 874 CB ASP A 55 -7.296 -3.850 5.808 1.00 0.00 C ATOM 875 CG ASP A 55 -8.282 -3.398 4.749 1.00 0.00 C ATOM 876 OD1 ASP A 55 -8.150 -2.255 4.266 1.00 0.00 O ATOM 877 OD2 ASP A 55 -9.186 -4.188 4.404 1.00 0.00 O ATOM 0 H ASP A 55 -6.345 -4.482 3.616 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.672 -2.474 5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.409 -4.922 5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.530 -3.357 6.752 1.00 0.00 H new ATOM 882 N LEU A 56 -4.650 -5.545 6.100 1.00 0.00 N ATOM 883 CA LEU A 56 -3.759 -6.349 6.930 1.00 0.00 C ATOM 884 C LEU A 56 -2.444 -5.617 7.184 1.00 0.00 C ATOM 885 O LEU A 56 -2.050 -5.407 8.331 1.00 0.00 O ATOM 886 CB LEU A 56 -3.484 -7.697 6.261 1.00 0.00 C ATOM 887 CG LEU A 56 -4.627 -8.712 6.303 1.00 0.00 C ATOM 888 CD1 LEU A 56 -4.512 -9.594 7.536 1.00 0.00 C ATOM 889 CD2 LEU A 56 -5.972 -8.001 6.277 1.00 0.00 C ATOM 0 H LEU A 56 -5.056 -6.046 5.310 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.250 -6.519 7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.223 -7.516 5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.610 -8.144 6.735 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.557 -9.347 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.334 -10.310 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.563 -10.131 7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.556 -8.975 8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.774 -8.738 6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.052 -7.342 7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.055 -7.412 5.363 1.00 0.00 H new ATOM 901 N PHE A 57 -1.771 -5.229 6.105 1.00 0.00 N ATOM 902 CA PHE A 57 -0.502 -4.519 6.211 1.00 0.00 C ATOM 903 C PHE A 57 -0.640 -3.287 7.101 1.00 0.00 C ATOM 904 O PHE A 57 0.019 -3.177 8.135 1.00 0.00 O ATOM 905 CB PHE A 57 -0.007 -4.106 4.823 1.00 0.00 C ATOM 906 CG PHE A 57 0.686 -5.213 4.080 1.00 0.00 C ATOM 907 CD1 PHE A 57 -0.020 -6.323 3.647 1.00 0.00 C ATOM 908 CD2 PHE A 57 2.044 -5.143 3.816 1.00 0.00 C ATOM 909 CE1 PHE A 57 0.614 -7.343 2.963 1.00 0.00 C ATOM 910 CE2 PHE A 57 2.684 -6.159 3.132 1.00 0.00 C ATOM 911 CZ PHE A 57 1.969 -7.261 2.706 1.00 0.00 C ATOM 0 H PHE A 57 -2.083 -5.394 5.148 1.00 0.00 H new ATOM 0 HA PHE A 57 0.226 -5.193 6.664 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.854 -3.758 4.233 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.677 -3.264 4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.079 -6.392 3.846 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.609 -4.285 4.148 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.051 -8.203 2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.743 -6.091 2.931 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.468 -8.057 2.173 1.00 0.00 H new ATOM 921 N LYS A 58 -1.501 -2.362 6.691 1.00 0.00 N ATOM 922 CA LYS A 58 -1.728 -1.138 7.449 1.00 0.00 C ATOM 923 C LYS A 58 -2.016 -1.450 8.914 1.00 0.00 C ATOM 924 O LYS A 58 -1.570 -0.734 9.810 1.00 0.00 O ATOM 925 CB LYS A 58 -2.893 -0.349 6.847 1.00 0.00 C ATOM 926 CG LYS A 58 -2.745 -0.087 5.358 1.00 0.00 C ATOM 927 CD LYS A 58 -4.093 -0.075 4.658 1.00 0.00 C ATOM 928 CE LYS A 58 -4.693 1.322 4.627 1.00 0.00 C ATOM 929 NZ LYS A 58 -5.544 1.587 5.820 1.00 0.00 N ATOM 0 H LYS A 58 -2.054 -2.437 5.837 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.822 -0.535 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.820 -0.896 7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.983 0.604 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.245 0.869 5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.110 -0.854 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.978 -0.445 3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.776 -0.754 5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.892 2.060 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.289 1.441 3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.934 2.549 5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.323 0.899 5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.970 1.498 6.683 1.00 0.00 H new ATOM 943 N GLN A 59 -2.762 -2.525 9.150 1.00 0.00 N ATOM 944 CA GLN A 59 -3.107 -2.932 10.507 1.00 0.00 C ATOM 945 C GLN A 59 -1.856 -3.281 11.306 1.00 0.00 C ATOM 946 O GLN A 59 -1.799 -3.064 12.516 1.00 0.00 O ATOM 947 CB GLN A 59 -4.058 -4.130 10.476 1.00 0.00 C ATOM 948 CG GLN A 59 -4.328 -4.727 11.848 1.00 0.00 C ATOM 949 CD GLN A 59 -5.471 -4.041 12.568 1.00 0.00 C ATOM 950 OE1 GLN A 59 -5.948 -2.989 12.140 1.00 0.00 O ATOM 951 NE2 GLN A 59 -5.918 -4.633 13.670 1.00 0.00 N ATOM 0 H GLN A 59 -3.139 -3.129 8.420 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.605 -2.094 10.995 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.004 -3.821 10.031 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.638 -4.901 9.830 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.556 -5.787 11.740 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.426 -4.655 12.455 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.494 -5.504 13.989 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.686 -4.217 14.197 1.00 0.00 H new ATOM 960 N SER A 60 -0.854 -3.824 10.620 1.00 0.00 N ATOM 961 CA SER A 60 0.395 -4.208 11.267 1.00 0.00 C ATOM 962 C SER A 60 1.278 -2.987 11.509 1.00 0.00 C ATOM 963 O SER A 60 1.499 -2.584 12.652 1.00 0.00 O ATOM 964 CB SER A 60 1.144 -5.231 10.411 1.00 0.00 C ATOM 965 OG SER A 60 2.129 -5.909 11.171 1.00 0.00 O ATOM 0 H SER A 60 -0.883 -4.008 9.617 1.00 0.00 H new ATOM 0 HA SER A 60 0.154 -4.658 12.230 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.438 -5.952 9.999 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.615 -4.728 9.566 1.00 0.00 H new ATOM 0 HG SER A 60 2.592 -6.558 10.601 1.00 0.00 H new ATOM 971 N TYR A 61 1.780 -2.404 10.427 1.00 0.00 N ATOM 972 CA TYR A 61 2.641 -1.231 10.520 1.00 0.00 C ATOM 973 C TYR A 61 2.192 -0.315 11.655 1.00 0.00 C ATOM 974 O TYR A 61 3.014 0.203 12.412 1.00 0.00 O ATOM 975 CB TYR A 61 2.638 -0.463 9.198 1.00 0.00 C ATOM 976 CG TYR A 61 3.398 0.843 9.254 1.00 0.00 C ATOM 977 CD1 TYR A 61 2.831 1.976 9.824 1.00 0.00 C ATOM 978 CD2 TYR A 61 4.683 0.944 8.736 1.00 0.00 C ATOM 979 CE1 TYR A 61 3.521 3.171 9.877 1.00 0.00 C ATOM 980 CE2 TYR A 61 5.382 2.135 8.786 1.00 0.00 C ATOM 981 CZ TYR A 61 4.796 3.245 9.357 1.00 0.00 C ATOM 982 OH TYR A 61 5.488 4.434 9.407 1.00 0.00 O ATOM 0 H TYR A 61 1.606 -2.724 9.474 1.00 0.00 H new ATOM 0 HA TYR A 61 3.655 -1.572 10.731 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.071 -1.093 8.421 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.607 -0.261 8.907 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.833 1.921 10.233 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.144 0.077 8.286 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.065 4.042 10.323 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.381 2.196 8.380 1.00 0.00 H new ATOM 0 HH TYR A 61 6.371 4.316 8.999 1.00 0.00 H new ATOM 992 N TRP A 62 0.883 -0.120 11.765 1.00 0.00 N ATOM 993 CA TRP A 62 0.323 0.734 12.807 1.00 0.00 C ATOM 994 C TRP A 62 0.683 0.208 14.193 1.00 0.00 C ATOM 995 O TRP A 62 1.418 0.853 14.939 1.00 0.00 O ATOM 996 CB TRP A 62 -1.197 0.823 12.660 1.00 0.00 C ATOM 997 CG TRP A 62 -1.641 1.912 11.731 1.00 0.00 C ATOM 998 CD1 TRP A 62 -2.499 1.789 10.676 1.00 0.00 C ATOM 999 CD2 TRP A 62 -1.247 3.288 11.774 1.00 0.00 C ATOM 1000 NE1 TRP A 62 -2.663 3.007 10.060 1.00 0.00 N ATOM 1001 CE2 TRP A 62 -1.906 3.942 10.715 1.00 0.00 C ATOM 1002 CE3 TRP A 62 -0.405 4.031 12.604 1.00 0.00 C ATOM 1003 CZ2 TRP A 62 -1.746 5.303 10.466 1.00 0.00 C ATOM 1004 CZ3 TRP A 62 -0.246 5.381 12.356 1.00 0.00 C ATOM 1005 CH2 TRP A 62 -0.915 6.006 11.295 1.00 0.00 C ATOM 0 H TRP A 62 0.190 -0.541 11.146 1.00 0.00 H new ATOM 0 HA TRP A 62 0.750 1.730 12.695 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.576 -0.132 12.296 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -1.641 0.989 13.642 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -2.978 0.871 10.371 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -3.253 3.186 9.247 1.00 0.00 H new ATOM 0 HE3 TRP A 62 0.113 3.559 13.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -2.259 5.786 9.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.405 5.964 12.991 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.772 7.063 11.128 1.00 0.00 H new ATOM 1016 N ASN A 63 0.159 -0.966 14.530 1.00 0.00 N ATOM 1017 CA ASN A 63 0.425 -1.578 15.827 1.00 0.00 C ATOM 1018 C ASN A 63 1.907 -1.487 16.177 1.00 0.00 C ATOM 1019 O ASN A 63 2.272 -1.089 17.284 1.00 0.00 O ATOM 1020 CB ASN A 63 -0.021 -3.041 15.825 1.00 0.00 C ATOM 1021 CG ASN A 63 -1.489 -3.198 16.172 1.00 0.00 C ATOM 1022 OD1 ASN A 63 -1.836 -3.756 17.213 1.00 0.00 O ATOM 1023 ND2 ASN A 63 -2.359 -2.705 15.298 1.00 0.00 N ATOM 0 H ASN A 63 -0.452 -1.513 13.923 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.143 -1.033 16.581 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.166 -3.474 14.842 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.581 -3.602 16.540 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.360 -2.781 15.477 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.026 -2.250 14.448 1.00 0.00 H new ATOM 1030 N HIS A 64 2.758 -1.858 15.226 1.00 0.00 N ATOM 1031 CA HIS A 64 4.202 -1.818 15.433 1.00 0.00 C ATOM 1032 C HIS A 64 4.756 -0.429 15.128 1.00 0.00 C ATOM 1033 O HIS A 64 5.933 -0.279 14.800 1.00 0.00 O ATOM 1034 CB HIS A 64 4.894 -2.861 14.555 1.00 0.00 C ATOM 1035 CG HIS A 64 4.847 -4.246 15.121 1.00 0.00 C ATOM 1036 ND1 HIS A 64 5.947 -5.077 15.168 1.00 0.00 N ATOM 1037 CD2 HIS A 64 3.825 -4.946 15.667 1.00 0.00 C ATOM 1038 CE1 HIS A 64 5.603 -6.228 15.717 1.00 0.00 C ATOM 1039 NE2 HIS A 64 4.320 -6.174 16.029 1.00 0.00 N ATOM 0 H HIS A 64 2.473 -2.190 14.304 1.00 0.00 H new ATOM 0 HA HIS A 64 4.401 -2.047 16.480 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.426 -2.864 13.571 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.935 -2.571 14.412 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.809 -4.602 15.794 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.259 -7.070 15.883 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.785 -6.923 16.468 1.00 0.00 H new TER 1048 HIS A 64