USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 764 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 67 THR OG1 : rot 180:sc=-0.00322 USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= -0.0116 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= -0.01 USER MOD Set 2.2: A 35 SER OG : rot 180:sc= -1.08! USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0.832 USER MOD Set 3.2: A 62 THR OG1 : rot -92:sc= 1.12 USER MOD Set 4.1: A 14 THR OG1 : rot 83:sc= 1.04 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.213 K(o=-0.21,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 2:sc= 0.563 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.238) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0134 F(o=-0.9,f=-0.013) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -3.13! C(o=-3.1!,f=-7.9!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.115 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0217 F(o=-1.3,f=-0.022) USER MOD Single : A 59 ASN : amide:sc= -6.96! C(o=-7!,f=-14!) USER MOD Single : A 64 SER OG : rot 46:sc= 0.0825 USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= -0.0705 (180deg=-0.551) USER MOD Single : A 80 ASN : amide:sc= -8.16! C(o=-8.2!,f=-15!) USER MOD Single : A 86 SER OG : rot 180:sc= 0.00141 USER MOD Single : A 89 SER OG : rot 95:sc= -0.328 USER MOD Single : A 92 SER OG : rot -89:sc= -0.565! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 69:sc= 0.658 USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -18.147 -3.885 -5.511 1.00 0.68 N ATOM 27 CA ILE A 2 -17.155 -3.103 -4.784 1.00 0.61 C ATOM 28 C ILE A 2 -16.008 -2.667 -5.696 1.00 0.57 C ATOM 29 O ILE A 2 -15.654 -3.363 -6.646 1.00 0.63 O ATOM 30 CB ILE A 2 -16.585 -3.904 -3.591 1.00 0.62 C ATOM 31 CG1 ILE A 2 -15.416 -3.158 -2.941 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.148 -5.290 -4.044 1.00 0.66 C ATOM 33 CD1 ILE A 2 -14.807 -3.884 -1.759 1.00 0.56 C ATOM 0 HA ILE A 2 -17.662 -2.213 -4.410 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.373 -4.013 -2.846 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -14.642 -2.991 -3.690 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -15.760 -2.177 -2.614 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -15.749 -5.842 -3.193 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.004 -5.825 -4.454 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.378 -5.197 -4.809 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -13.986 -3.293 -1.353 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.566 -4.027 -0.990 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.430 -4.854 -2.083 1.00 0.56 H new ATOM 45 N ASP A 3 -15.430 -1.509 -5.386 1.00 0.55 N ATOM 46 CA ASP A 3 -14.318 -0.979 -6.171 1.00 0.54 C ATOM 47 C ASP A 3 -13.146 -0.577 -5.270 1.00 0.47 C ATOM 48 O ASP A 3 -13.315 0.216 -4.343 1.00 0.49 O ATOM 49 CB ASP A 3 -14.777 0.225 -6.995 1.00 0.61 C ATOM 50 CG ASP A 3 -15.451 -0.183 -8.290 1.00 1.15 C ATOM 51 OD1 ASP A 3 -15.070 -1.232 -8.851 1.00 2.00 O ATOM 52 OD2 ASP A 3 -16.359 0.543 -8.742 1.00 1.64 O ATOM 0 H ASP A 3 -15.711 -0.922 -4.601 1.00 0.55 H new ATOM 0 HA ASP A 3 -13.978 -1.766 -6.844 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.468 0.825 -6.403 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.918 0.857 -7.219 1.00 0.61 H new ATOM 57 N PRO A 4 -11.935 -1.114 -5.529 1.00 0.44 N ATOM 58 CA PRO A 4 -10.746 -0.794 -4.732 1.00 0.41 C ATOM 59 C PRO A 4 -10.186 0.585 -5.070 1.00 0.38 C ATOM 60 O PRO A 4 -10.497 1.148 -6.120 1.00 0.43 O ATOM 61 CB PRO A 4 -9.757 -1.893 -5.127 1.00 0.45 C ATOM 62 CG PRO A 4 -10.133 -2.237 -6.527 1.00 0.50 C ATOM 63 CD PRO A 4 -11.628 -2.068 -6.612 1.00 0.50 C ATOM 0 HA PRO A 4 -10.958 -0.760 -3.663 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.727 -1.542 -5.066 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -9.839 -2.758 -4.469 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.626 -1.585 -7.238 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -9.842 -3.259 -6.769 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.932 -1.681 -7.584 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.147 -3.016 -6.469 1.00 0.50 H new ATOM 71 N PRO A 5 -9.354 1.151 -4.181 1.00 0.37 N ATOM 72 CA PRO A 5 -8.757 2.475 -4.389 1.00 0.39 C ATOM 73 C PRO A 5 -7.919 2.552 -5.662 1.00 0.38 C ATOM 74 O PRO A 5 -7.651 1.540 -6.307 1.00 0.47 O ATOM 75 CB PRO A 5 -7.875 2.683 -3.152 1.00 0.46 C ATOM 76 CG PRO A 5 -7.698 1.329 -2.557 1.00 0.71 C ATOM 77 CD PRO A 5 -8.935 0.554 -2.904 1.00 0.43 C ATOM 0 HA PRO A 5 -9.524 3.240 -4.511 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.915 3.121 -3.424 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.347 3.364 -2.444 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -6.809 0.842 -2.956 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.569 1.392 -1.477 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.728 -0.511 -3.005 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.704 0.658 -2.139 1.00 0.43 H new ATOM 85 N GLY A 6 -7.515 3.770 -6.014 1.00 0.37 N ATOM 86 CA GLY A 6 -6.716 3.978 -7.208 1.00 0.39 C ATOM 87 C GLY A 6 -5.304 3.446 -7.072 1.00 0.42 C ATOM 88 O GLY A 6 -4.860 3.115 -5.972 1.00 0.66 O ATOM 0 H GLY A 6 -7.728 4.619 -5.491 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.202 3.492 -8.054 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.677 5.044 -7.432 1.00 0.39 H new ATOM 92 N LYS A 7 -4.596 3.368 -8.193 1.00 0.41 N ATOM 93 CA LYS A 7 -3.223 2.877 -8.198 1.00 0.44 C ATOM 94 C LYS A 7 -2.386 3.616 -7.153 1.00 0.37 C ATOM 95 O LYS A 7 -2.238 4.836 -7.227 1.00 0.42 O ATOM 96 CB LYS A 7 -2.598 3.061 -9.584 1.00 0.54 C ATOM 97 CG LYS A 7 -1.350 2.220 -9.800 1.00 0.64 C ATOM 98 CD LYS A 7 -0.087 3.057 -9.690 1.00 1.01 C ATOM 99 CE LYS A 7 1.158 2.222 -9.943 1.00 0.95 C ATOM 100 NZ LYS A 7 2.221 3.002 -10.635 1.00 1.52 N ATOM 0 H LYS A 7 -4.950 3.639 -9.110 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.239 1.815 -7.952 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.336 2.805 -10.344 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.347 4.112 -9.725 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.320 1.416 -9.064 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.392 1.751 -10.783 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.129 3.877 -10.407 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.031 3.504 -8.698 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.542 1.848 -8.994 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.895 1.353 -10.546 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 3.052 2.396 -10.788 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.864 3.338 -11.552 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 2.491 3.817 -10.049 1.00 1.52 H new ATOM 114 N PRO A 8 -1.823 2.898 -6.162 1.00 0.34 N ATOM 115 CA PRO A 8 -1.000 3.515 -5.112 1.00 0.32 C ATOM 116 C PRO A 8 0.335 4.005 -5.664 1.00 0.33 C ATOM 117 O PRO A 8 0.831 3.479 -6.659 1.00 0.44 O ATOM 118 CB PRO A 8 -0.801 2.378 -4.090 1.00 0.39 C ATOM 119 CG PRO A 8 -1.799 1.335 -4.479 1.00 0.44 C ATOM 120 CD PRO A 8 -1.922 1.445 -5.968 1.00 0.41 C ATOM 0 HA PRO A 8 -1.469 4.397 -4.676 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.215 1.986 -4.127 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.971 2.727 -3.072 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.464 0.340 -4.184 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.758 1.506 -3.991 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.128 0.907 -6.486 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.869 1.046 -6.332 1.00 0.41 H new ATOM 128 N VAL A 9 0.911 5.024 -5.030 1.00 0.34 N ATOM 129 CA VAL A 9 2.179 5.576 -5.495 1.00 0.38 C ATOM 130 C VAL A 9 2.994 6.201 -4.354 1.00 0.34 C ATOM 131 O VAL A 9 2.530 7.128 -3.692 1.00 0.35 O ATOM 132 CB VAL A 9 1.928 6.639 -6.589 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.373 7.930 -5.993 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.199 6.910 -7.381 1.00 0.53 C ATOM 0 H VAL A 9 0.525 5.479 -4.203 1.00 0.34 H new ATOM 0 HA VAL A 9 2.758 4.748 -5.904 1.00 0.38 H new ATOM 0 HB VAL A 9 1.178 6.241 -7.273 1.00 0.43 H new ATOM 0 HG11 VAL A 9 1.208 8.656 -6.789 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.429 7.722 -5.490 1.00 1.09 H new ATOM 0 HG13 VAL A 9 2.086 8.335 -5.274 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.998 7.661 -8.145 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.976 7.275 -6.709 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.534 5.989 -7.857 1.00 0.53 H new ATOM 144 N PRO A 10 4.229 5.711 -4.115 1.00 0.34 N ATOM 145 CA PRO A 10 5.097 6.241 -3.060 1.00 0.32 C ATOM 146 C PRO A 10 5.526 7.682 -3.335 1.00 0.37 C ATOM 147 O PRO A 10 6.285 7.940 -4.268 1.00 0.64 O ATOM 148 CB PRO A 10 6.324 5.329 -3.078 1.00 0.38 C ATOM 149 CG PRO A 10 5.941 4.148 -3.904 1.00 0.39 C ATOM 150 CD PRO A 10 4.875 4.616 -4.851 1.00 0.42 C ATOM 0 HA PRO A 10 4.580 6.257 -2.100 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.186 5.842 -3.505 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.601 5.026 -2.068 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.802 3.761 -4.450 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.572 3.338 -3.275 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.298 4.960 -5.795 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.170 3.820 -5.089 1.00 0.42 H new ATOM 158 N LEU A 11 5.043 8.617 -2.522 1.00 0.34 N ATOM 159 CA LEU A 11 5.393 10.026 -2.690 1.00 0.43 C ATOM 160 C LEU A 11 6.802 10.295 -2.172 1.00 0.43 C ATOM 161 O LEU A 11 7.521 11.142 -2.704 1.00 0.57 O ATOM 162 CB LEU A 11 4.391 10.929 -1.959 1.00 0.56 C ATOM 163 CG LEU A 11 2.907 10.636 -2.220 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.675 10.227 -3.668 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.401 9.564 -1.267 1.00 1.12 C ATOM 0 H LEU A 11 4.411 8.427 -1.744 1.00 0.34 H new ATOM 0 HA LEU A 11 5.357 10.254 -3.755 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.574 10.848 -0.887 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.592 11.963 -2.240 1.00 0.56 H new ATOM 0 HG LEU A 11 2.344 11.551 -2.039 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.615 10.026 -3.824 1.00 1.64 H new ATOM 0 HD12 LEU A 11 2.992 11.033 -4.329 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.251 9.329 -3.889 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.347 9.368 -1.466 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.974 8.648 -1.412 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.519 9.906 -0.239 1.00 1.12 H new ATOM 177 N ASN A 12 7.190 9.564 -1.132 1.00 0.34 N ATOM 178 CA ASN A 12 8.511 9.712 -0.534 1.00 0.36 C ATOM 179 C ASN A 12 8.983 8.379 0.029 1.00 0.37 C ATOM 180 O ASN A 12 8.286 7.757 0.819 1.00 0.58 O ATOM 181 CB ASN A 12 8.483 10.764 0.574 1.00 0.42 C ATOM 182 CG ASN A 12 9.799 11.502 0.706 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.888 10.751 0.831 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 9.839 12.733 0.696 1.00 0.71 N flip ATOM 0 H ASN A 12 6.604 8.859 -0.684 1.00 0.34 H new ATOM 0 HA ASN A 12 9.206 10.039 -1.308 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.687 11.480 0.370 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.243 10.282 1.522 1.00 0.42 H new ATOM 0 HD21 ASN A 12 8.978 13.270 0.598 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.733 13.215 0.786 1.00 0.71 H new ATOM 191 N ILE A 13 10.165 7.939 -0.379 1.00 0.38 N ATOM 192 CA ILE A 13 10.698 6.672 0.096 1.00 0.43 C ATOM 193 C ILE A 13 11.960 6.871 0.932 1.00 0.53 C ATOM 194 O ILE A 13 12.899 7.545 0.510 1.00 0.75 O ATOM 195 CB ILE A 13 10.981 5.716 -1.076 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.716 6.456 -2.208 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.670 5.109 -1.565 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.809 7.212 -3.163 1.00 0.96 C ATOM 0 H ILE A 13 10.769 8.437 -1.033 1.00 0.38 H new ATOM 0 HA ILE A 13 9.937 6.223 0.735 1.00 0.43 H new ATOM 0 HB ILE A 13 11.630 4.908 -0.738 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.423 7.159 -1.766 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.300 5.733 -2.778 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.870 4.432 -2.395 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.199 4.557 -0.752 1.00 0.53 H new ATOM 0 HG23 ILE A 13 9.003 5.904 -1.898 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.413 7.702 -3.927 1.00 0.96 H new ATOM 0 HD12 ILE A 13 10.119 6.515 -3.638 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.244 7.963 -2.611 1.00 0.96 H new ATOM 210 N THR A 14 11.961 6.285 2.128 1.00 0.59 N ATOM 211 CA THR A 14 13.091 6.397 3.048 1.00 0.71 C ATOM 212 C THR A 14 13.765 5.052 3.295 1.00 0.79 C ATOM 213 O THR A 14 14.100 4.722 4.430 1.00 1.46 O ATOM 214 CB THR A 14 12.626 7.005 4.373 1.00 0.75 C ATOM 215 OG1 THR A 14 11.240 7.295 4.332 1.00 0.69 O ATOM 216 CG2 THR A 14 13.350 8.285 4.735 1.00 0.94 C ATOM 0 H THR A 14 11.187 5.725 2.484 1.00 0.59 H new ATOM 0 HA THR A 14 13.830 7.050 2.584 1.00 0.71 H new ATOM 0 HB THR A 14 12.852 6.253 5.129 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.730 6.485 4.542 1.00 0.69 H new ATOM 0 HG21 THR A 14 12.971 8.661 5.685 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.418 8.086 4.824 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.183 9.030 3.957 1.00 0.94 H new ATOM 224 N ARG A 15 13.978 4.300 2.219 1.00 0.66 N ATOM 225 CA ARG A 15 14.639 2.995 2.288 1.00 0.67 C ATOM 226 C ARG A 15 13.959 2.028 3.256 1.00 0.71 C ATOM 227 O ARG A 15 13.316 1.072 2.831 1.00 1.19 O ATOM 228 CB ARG A 15 16.103 3.180 2.683 1.00 0.80 C ATOM 229 CG ARG A 15 16.801 4.267 1.892 1.00 0.96 C ATOM 230 CD ARG A 15 17.843 4.991 2.731 1.00 1.13 C ATOM 231 NE ARG A 15 17.330 5.367 4.044 1.00 1.43 N ATOM 232 CZ ARG A 15 18.107 5.653 5.082 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.426 5.607 4.956 1.00 2.42 N ATOM 234 NH2 ARG A 15 17.567 5.986 6.246 1.00 1.90 N ATOM 0 H ARG A 15 13.700 4.574 1.277 1.00 0.66 H new ATOM 0 HA ARG A 15 14.566 2.550 1.296 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.159 3.419 3.745 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.633 2.238 2.540 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.279 3.830 1.016 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.064 4.983 1.529 1.00 0.96 H new ATOM 0 HD2 ARG A 15 18.717 4.351 2.854 1.00 1.13 H new ATOM 0 HD3 ARG A 15 18.175 5.885 2.203 1.00 1.13 H new ATOM 0 HE ARG A 15 16.319 5.413 4.172 1.00 1.43 H new ATOM 0 HH11 ARG A 15 19.844 5.352 4.061 1.00 2.42 H new ATOM 0 HH12 ARG A 15 20.022 5.827 5.754 1.00 2.42 H new ATOM 0 HH21 ARG A 15 16.553 6.023 6.346 1.00 1.90 H new ATOM 0 HH22 ARG A 15 18.166 6.205 7.042 1.00 1.90 H new ATOM 248 N HIS A 16 14.116 2.274 4.552 1.00 0.50 N ATOM 249 CA HIS A 16 13.525 1.415 5.575 1.00 0.54 C ATOM 250 C HIS A 16 12.030 1.666 5.698 1.00 0.57 C ATOM 251 O HIS A 16 11.264 0.765 6.035 1.00 0.97 O ATOM 252 CB HIS A 16 14.212 1.641 6.921 1.00 0.67 C ATOM 253 CG HIS A 16 15.608 1.105 6.971 1.00 0.68 C ATOM 254 ND1 HIS A 16 16.187 0.569 8.101 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.548 1.024 5.995 1.00 0.78 C ATOM 256 CE1 HIS A 16 17.432 0.190 7.783 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.700 0.444 6.517 1.00 0.86 N ATOM 0 H HIS A 16 14.648 3.062 4.921 1.00 0.50 H new ATOM 0 HA HIS A 16 13.673 0.378 5.274 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.233 2.709 7.135 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.621 1.170 7.706 1.00 0.67 H new ATOM 0 HD1 HIS A 16 15.746 0.477 9.016 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.422 1.357 4.975 1.00 0.78 H new ATOM 0 HE1 HIS A 16 18.126 -0.265 8.474 1.00 1.02 H new ATOM 265 N THR A 17 11.619 2.893 5.413 1.00 0.43 N ATOM 266 CA THR A 17 10.211 3.259 5.480 1.00 0.42 C ATOM 267 C THR A 17 9.830 4.050 4.243 1.00 0.38 C ATOM 268 O THR A 17 10.497 5.021 3.898 1.00 0.56 O ATOM 269 CB THR A 17 9.918 4.083 6.734 1.00 0.56 C ATOM 270 OG1 THR A 17 10.592 5.328 6.689 1.00 0.65 O ATOM 271 CG2 THR A 17 10.319 3.387 8.017 1.00 0.68 C ATOM 0 H THR A 17 12.240 3.652 5.133 1.00 0.43 H new ATOM 0 HA THR A 17 9.619 2.345 5.527 1.00 0.42 H new ATOM 0 HB THR A 17 8.837 4.222 6.739 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.389 5.839 7.500 1.00 0.65 H new ATOM 0 HG21 THR A 17 10.083 4.027 8.867 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.773 2.448 8.107 1.00 0.68 H new ATOM 0 HG23 THR A 17 11.390 3.184 8.002 1.00 0.68 H new ATOM 279 N VAL A 18 8.760 3.642 3.572 1.00 0.27 N ATOM 280 CA VAL A 18 8.331 4.342 2.377 1.00 0.33 C ATOM 281 C VAL A 18 6.962 4.984 2.575 1.00 0.32 C ATOM 282 O VAL A 18 6.177 4.543 3.405 1.00 0.51 O ATOM 283 CB VAL A 18 8.348 3.431 1.123 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.645 2.637 1.033 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.138 2.524 1.019 1.00 0.80 C ATOM 0 H VAL A 18 8.184 2.842 3.833 1.00 0.27 H new ATOM 0 HA VAL A 18 9.055 5.138 2.199 1.00 0.33 H new ATOM 0 HB VAL A 18 8.295 4.101 0.265 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.626 2.008 0.143 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.489 3.324 0.973 1.00 0.46 H new ATOM 0 HG13 VAL A 18 9.750 2.010 1.918 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.216 1.915 0.118 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.094 1.875 1.893 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.233 3.129 0.970 1.00 0.80 H new ATOM 295 N THR A 19 6.693 6.041 1.820 1.00 0.27 N ATOM 296 CA THR A 19 5.430 6.757 1.928 1.00 0.24 C ATOM 297 C THR A 19 4.658 6.744 0.613 1.00 0.22 C ATOM 298 O THR A 19 5.098 7.334 -0.368 1.00 0.34 O ATOM 299 CB THR A 19 5.702 8.204 2.363 1.00 0.28 C ATOM 300 OG1 THR A 19 6.082 8.255 3.727 1.00 0.35 O ATOM 301 CG2 THR A 19 4.516 9.127 2.183 1.00 0.32 C ATOM 0 H THR A 19 7.335 6.422 1.125 1.00 0.27 H new ATOM 0 HA THR A 19 4.815 6.252 2.673 1.00 0.24 H new ATOM 0 HB THR A 19 6.506 8.548 1.712 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.252 9.185 3.985 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.783 10.131 2.511 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.231 9.153 1.131 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.678 8.762 2.777 1.00 0.32 H new ATOM 309 N LEU A 20 3.496 6.089 0.608 1.00 0.28 N ATOM 310 CA LEU A 20 2.666 6.034 -0.588 1.00 0.26 C ATOM 311 C LEU A 20 1.229 6.415 -0.276 1.00 0.28 C ATOM 312 O LEU A 20 0.770 6.332 0.866 1.00 0.40 O ATOM 313 CB LEU A 20 2.695 4.654 -1.267 1.00 0.33 C ATOM 314 CG LEU A 20 3.034 3.454 -0.380 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.451 3.566 0.138 1.00 0.50 C ATOM 316 CD2 LEU A 20 2.042 3.317 0.761 1.00 0.52 C ATOM 0 H LEU A 20 3.114 5.594 1.414 1.00 0.28 H new ATOM 0 HA LEU A 20 3.091 6.758 -1.284 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.719 4.477 -1.719 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.420 4.691 -2.080 1.00 0.33 H new ATOM 0 HG LEU A 20 2.961 2.550 -0.985 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.677 2.705 0.767 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.145 3.594 -0.702 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.553 4.480 0.723 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.309 2.456 1.374 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.065 4.219 1.373 1.00 0.52 H new ATOM 0 HD23 LEU A 20 1.039 3.178 0.357 1.00 0.52 H new ATOM 328 N LYS A 21 0.531 6.831 -1.317 1.00 0.25 N ATOM 329 CA LYS A 21 -0.859 7.233 -1.210 1.00 0.31 C ATOM 330 C LYS A 21 -1.640 6.687 -2.394 1.00 0.31 C ATOM 331 O LYS A 21 -1.078 6.007 -3.252 1.00 0.51 O ATOM 332 CB LYS A 21 -0.967 8.762 -1.153 1.00 0.40 C ATOM 333 CG LYS A 21 -0.757 9.446 -2.496 1.00 0.81 C ATOM 334 CD LYS A 21 -2.013 9.392 -3.351 1.00 0.95 C ATOM 335 CE LYS A 21 -2.103 10.578 -4.299 1.00 1.26 C ATOM 336 NZ LYS A 21 -1.679 10.218 -5.681 1.00 1.84 N ATOM 0 H LYS A 21 0.912 6.900 -2.261 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.280 6.827 -0.291 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -1.950 9.033 -0.768 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.232 9.142 -0.444 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -0.469 10.485 -2.335 1.00 0.81 H new ATOM 0 HG3 LYS A 21 0.066 8.966 -3.025 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.022 8.466 -3.926 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.891 9.375 -2.706 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.127 10.950 -4.319 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -1.477 11.389 -3.927 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -1.755 11.053 -6.296 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -0.693 9.887 -5.667 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -2.293 9.462 -6.047 1.00 1.84 H new ATOM 350 N TRP A 22 -2.931 6.982 -2.453 1.00 0.25 N ATOM 351 CA TRP A 22 -3.742 6.505 -3.560 1.00 0.24 C ATOM 352 C TRP A 22 -5.045 7.278 -3.694 1.00 0.24 C ATOM 353 O TRP A 22 -5.367 8.137 -2.873 1.00 0.40 O ATOM 354 CB TRP A 22 -4.038 5.019 -3.396 1.00 0.27 C ATOM 355 CG TRP A 22 -4.527 4.630 -2.035 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.826 4.473 -1.645 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.726 4.330 -0.886 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.879 4.094 -0.326 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.605 4.000 0.163 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.351 4.307 -0.643 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.153 3.655 1.434 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.904 3.963 0.623 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.808 3.639 1.646 1.00 0.32 C ATOM 0 H TRP A 22 -3.431 7.539 -1.760 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.167 6.667 -4.472 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.785 4.727 -4.134 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.132 4.454 -3.618 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.686 4.625 -2.281 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.731 3.912 0.204 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.649 4.553 -1.427 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.846 3.408 2.225 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.843 3.944 0.825 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.429 3.371 2.621 1.00 0.32 H new ATOM 374 N ALA A 23 -5.792 6.955 -4.745 1.00 0.31 N ATOM 375 CA ALA A 23 -7.068 7.600 -5.011 1.00 0.33 C ATOM 376 C ALA A 23 -8.197 6.873 -4.297 1.00 0.36 C ATOM 377 O ALA A 23 -7.982 5.828 -3.681 1.00 0.83 O ATOM 378 CB ALA A 23 -7.333 7.644 -6.510 1.00 0.36 C ATOM 0 H ALA A 23 -5.531 6.245 -5.429 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.023 8.621 -4.631 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.291 8.129 -6.696 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.540 8.206 -7.003 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.358 6.628 -6.905 1.00 0.36 H new ATOM 384 N LYS A 24 -9.400 7.424 -4.382 1.00 0.59 N ATOM 385 CA LYS A 24 -10.556 6.816 -3.741 1.00 0.61 C ATOM 386 C LYS A 24 -11.533 6.280 -4.794 1.00 0.59 C ATOM 387 O LYS A 24 -11.739 6.901 -5.836 1.00 0.69 O ATOM 388 CB LYS A 24 -11.225 7.826 -2.780 1.00 0.74 C ATOM 389 CG LYS A 24 -12.546 8.421 -3.260 1.00 1.21 C ATOM 390 CD LYS A 24 -13.720 7.534 -2.878 1.00 1.22 C ATOM 391 CE LYS A 24 -15.043 8.144 -3.307 1.00 1.55 C ATOM 392 NZ LYS A 24 -16.174 7.193 -3.134 1.00 2.11 N ATOM 0 H LYS A 24 -9.600 8.288 -4.887 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.231 5.964 -3.144 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -11.397 7.331 -1.824 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.526 8.642 -2.596 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.680 9.412 -2.827 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.519 8.547 -4.342 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.603 6.554 -3.341 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.723 7.378 -1.799 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -15.234 9.045 -2.724 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.981 8.448 -4.352 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -17.059 7.647 -3.438 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -16.005 6.344 -3.710 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -16.250 6.922 -2.133 1.00 2.11 H new ATOM 406 N PRO A 25 -12.145 5.114 -4.529 1.00 0.56 N ATOM 407 CA PRO A 25 -13.100 4.493 -5.452 1.00 0.63 C ATOM 408 C PRO A 25 -14.237 5.434 -5.834 1.00 0.75 C ATOM 409 O PRO A 25 -14.250 6.600 -5.441 1.00 0.89 O ATOM 410 CB PRO A 25 -13.642 3.289 -4.671 1.00 0.63 C ATOM 411 CG PRO A 25 -13.228 3.515 -3.254 1.00 0.71 C ATOM 412 CD PRO A 25 -11.959 4.309 -3.317 1.00 0.58 C ATOM 0 HA PRO A 25 -12.625 4.221 -6.395 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.726 3.221 -4.757 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.233 2.355 -5.056 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.999 4.054 -2.703 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -13.071 2.568 -2.738 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.827 4.932 -2.433 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.082 3.666 -3.388 1.00 0.58 H new ATOM 420 N GLU A 26 -15.187 4.921 -6.607 1.00 0.85 N ATOM 421 CA GLU A 26 -16.326 5.720 -7.046 1.00 1.05 C ATOM 422 C GLU A 26 -17.657 5.088 -6.641 1.00 0.95 C ATOM 423 O GLU A 26 -18.654 5.789 -6.471 1.00 1.12 O ATOM 424 CB GLU A 26 -16.284 5.910 -8.564 1.00 1.29 C ATOM 425 CG GLU A 26 -15.123 6.770 -9.035 1.00 1.83 C ATOM 426 CD GLU A 26 -14.136 5.997 -9.887 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.468 5.694 -11.053 1.00 2.77 O ATOM 428 OE2 GLU A 26 -13.030 5.696 -9.390 1.00 2.53 O ATOM 0 H GLU A 26 -15.192 3.958 -6.942 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.253 6.689 -6.553 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.220 4.933 -9.043 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -17.219 6.365 -8.891 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -15.509 7.614 -9.607 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -14.605 7.182 -8.169 1.00 1.83 H new ATOM 435 N TYR A 27 -17.676 3.765 -6.495 1.00 0.85 N ATOM 436 CA TYR A 27 -18.901 3.068 -6.120 1.00 0.84 C ATOM 437 C TYR A 27 -18.794 2.430 -4.738 1.00 0.86 C ATOM 438 O TYR A 27 -19.454 2.864 -3.793 1.00 1.37 O ATOM 439 CB TYR A 27 -19.242 1.995 -7.154 1.00 0.86 C ATOM 440 CG TYR A 27 -20.702 1.596 -7.140 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.687 2.484 -7.557 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.096 0.334 -6.710 1.00 0.93 C ATOM 443 CE1 TYR A 27 -23.022 2.126 -7.545 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.429 -0.032 -6.696 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.387 0.867 -7.114 1.00 1.19 C ATOM 446 OH TYR A 27 -24.716 0.506 -7.101 1.00 1.35 O ATOM 0 H TYR A 27 -16.865 3.161 -6.629 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.697 3.812 -6.088 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.982 2.361 -8.147 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.629 1.113 -6.968 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.404 3.470 -7.896 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.348 -0.372 -6.381 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.775 2.828 -7.871 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.718 -1.017 -6.360 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.802 -0.413 -6.771 1.00 1.35 H new ATOM 456 N THR A 28 -17.972 1.389 -4.627 1.00 0.65 N ATOM 457 CA THR A 28 -17.797 0.688 -3.360 1.00 0.61 C ATOM 458 C THR A 28 -19.149 0.275 -2.796 1.00 0.66 C ATOM 459 O THR A 28 -19.441 0.503 -1.622 1.00 0.81 O ATOM 460 CB THR A 28 -17.059 1.569 -2.353 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.846 2.690 -1.990 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.736 2.084 -2.872 1.00 0.79 C ATOM 0 H THR A 28 -17.419 1.014 -5.397 1.00 0.65 H new ATOM 0 HA THR A 28 -17.200 -0.205 -3.543 1.00 0.61 H new ATOM 0 HB THR A 28 -16.871 0.928 -1.492 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.714 2.641 -2.443 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.262 2.703 -2.110 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.086 1.242 -3.111 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.904 2.679 -3.770 1.00 0.79 H new ATOM 470 N GLY A 29 -19.976 -0.331 -3.642 1.00 0.75 N ATOM 471 CA GLY A 29 -21.288 -0.762 -3.210 1.00 0.80 C ATOM 472 C GLY A 29 -22.052 0.350 -2.513 1.00 0.85 C ATOM 473 O GLY A 29 -22.597 1.243 -3.162 1.00 1.01 O ATOM 0 H GLY A 29 -19.759 -0.530 -4.618 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.858 -1.108 -4.072 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.186 -1.611 -2.534 1.00 0.80 H new ATOM 477 N GLY A 30 -22.075 0.298 -1.188 1.00 0.83 N ATOM 478 CA GLY A 30 -22.756 1.309 -0.402 1.00 0.89 C ATOM 479 C GLY A 30 -21.969 1.627 0.848 1.00 0.85 C ATOM 480 O GLY A 30 -22.531 1.940 1.897 1.00 0.98 O ATOM 0 H GLY A 30 -21.628 -0.436 -0.638 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.887 2.213 -0.996 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.752 0.958 -0.132 1.00 0.89 H new ATOM 484 N PHE A 31 -20.653 1.517 0.721 1.00 0.73 N ATOM 485 CA PHE A 31 -19.735 1.758 1.822 1.00 0.69 C ATOM 486 C PHE A 31 -18.972 3.068 1.651 1.00 0.67 C ATOM 487 O PHE A 31 -19.237 3.851 0.738 1.00 0.74 O ATOM 488 CB PHE A 31 -18.714 0.627 1.887 1.00 0.63 C ATOM 489 CG PHE A 31 -19.214 -0.708 1.400 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.191 -1.402 2.108 1.00 0.79 C ATOM 491 CD2 PHE A 31 -18.710 -1.268 0.238 1.00 0.64 C ATOM 492 CE1 PHE A 31 -20.650 -2.626 1.659 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.168 -2.492 -0.213 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.140 -3.173 0.506 1.00 0.83 C ATOM 0 H PHE A 31 -20.193 1.257 -0.152 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.329 1.812 2.734 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.842 0.910 1.296 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.379 0.519 2.918 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.594 -0.980 3.017 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -17.951 -0.743 -0.322 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.411 -3.153 2.215 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -18.770 -2.917 -1.123 1.00 0.73 H new ATOM 0 HZ PHE A 31 -20.495 -4.132 0.160 1.00 0.83 H new ATOM 504 N LYS A 32 -18.008 3.276 2.544 1.00 0.68 N ATOM 505 CA LYS A 32 -17.165 4.470 2.520 1.00 0.72 C ATOM 506 C LYS A 32 -15.720 4.159 2.948 1.00 0.66 C ATOM 507 O LYS A 32 -14.914 5.073 3.107 1.00 0.74 O ATOM 508 CB LYS A 32 -17.756 5.545 3.436 1.00 0.86 C ATOM 509 CG LYS A 32 -17.031 6.879 3.355 1.00 1.38 C ATOM 510 CD LYS A 32 -16.486 7.301 4.709 1.00 1.38 C ATOM 511 CE LYS A 32 -14.973 7.163 4.768 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.348 8.218 5.612 1.00 2.26 N ATOM 0 H LYS A 32 -17.789 2.627 3.300 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.138 4.834 1.493 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.804 5.694 3.178 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.729 5.188 4.466 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.212 6.806 2.639 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.713 7.643 2.982 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.766 8.335 4.909 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.939 6.691 5.491 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -14.714 6.181 5.164 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.565 7.217 3.759 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.316 8.087 5.625 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.573 9.155 5.220 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -14.717 8.151 6.582 1.00 2.26 H new ATOM 526 N ILE A 33 -15.400 2.870 3.131 1.00 0.67 N ATOM 527 CA ILE A 33 -14.062 2.439 3.540 1.00 0.66 C ATOM 528 C ILE A 33 -13.574 3.169 4.788 1.00 0.80 C ATOM 529 O ILE A 33 -13.366 4.381 4.778 1.00 1.71 O ATOM 530 CB ILE A 33 -13.024 2.611 2.421 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.563 2.055 1.104 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.729 1.905 2.801 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.524 3.050 -0.032 1.00 0.91 C ATOM 0 H ILE A 33 -16.060 2.103 3.000 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.160 1.378 3.768 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.822 3.674 2.290 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -12.983 1.175 0.826 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.591 1.725 1.252 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.998 2.031 2.003 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.337 2.335 3.723 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.924 0.843 2.950 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.922 2.587 -0.935 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.128 3.920 0.226 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.494 3.362 -0.207 1.00 0.91 H new ATOM 545 N THR A 34 -13.389 2.418 5.867 1.00 0.72 N ATOM 546 CA THR A 34 -12.925 2.992 7.124 1.00 0.73 C ATOM 547 C THR A 34 -11.570 2.419 7.530 1.00 0.59 C ATOM 548 O THR A 34 -11.210 2.441 8.707 1.00 0.76 O ATOM 549 CB THR A 34 -13.949 2.733 8.232 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.761 1.446 8.797 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.385 2.819 7.757 1.00 1.15 C ATOM 0 H THR A 34 -13.553 1.412 5.897 1.00 0.72 H new ATOM 0 HA THR A 34 -12.811 4.066 6.978 1.00 0.73 H new ATOM 0 HB THR A 34 -13.780 3.519 8.968 1.00 0.99 H new ATOM 0 HG1 THR A 34 -14.423 1.299 9.504 1.00 1.09 H new ATOM 0 HG21 THR A 34 -16.057 2.625 8.593 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.578 3.816 7.360 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.555 2.078 6.976 1.00 1.15 H new ATOM 559 N SER A 35 -10.818 1.905 6.559 1.00 0.49 N ATOM 560 CA SER A 35 -9.506 1.330 6.849 1.00 0.47 C ATOM 561 C SER A 35 -8.863 0.706 5.613 1.00 0.45 C ATOM 562 O SER A 35 -9.342 -0.305 5.103 1.00 0.72 O ATOM 563 CB SER A 35 -9.630 0.266 7.942 1.00 0.64 C ATOM 564 OG SER A 35 -10.981 -0.109 8.143 1.00 1.58 O ATOM 0 H SER A 35 -11.090 1.874 5.576 1.00 0.49 H new ATOM 0 HA SER A 35 -8.866 2.145 7.186 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.044 -0.611 7.667 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.214 0.648 8.874 1.00 0.64 H new ATOM 0 HG SER A 35 -11.030 -0.791 8.846 1.00 1.58 H new ATOM 570 N TYR A 36 -7.763 1.300 5.151 1.00 0.27 N ATOM 571 CA TYR A 36 -7.042 0.785 3.990 1.00 0.28 C ATOM 572 C TYR A 36 -5.865 -0.071 4.442 1.00 0.33 C ATOM 573 O TYR A 36 -5.159 0.286 5.380 1.00 0.68 O ATOM 574 CB TYR A 36 -6.534 1.926 3.104 1.00 0.29 C ATOM 575 CG TYR A 36 -7.625 2.768 2.486 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.607 2.195 1.689 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.668 4.141 2.694 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.601 2.966 1.118 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.659 4.917 2.128 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.623 4.326 1.341 1.00 0.60 C ATOM 581 OH TYR A 36 -10.612 5.096 0.775 1.00 0.76 O ATOM 0 H TYR A 36 -7.353 2.138 5.564 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.735 0.177 3.408 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.887 2.571 3.698 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.921 1.506 2.307 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.594 1.130 1.513 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.913 4.609 3.309 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.357 2.505 0.500 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.679 5.983 2.301 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.484 6.033 1.031 1.00 0.76 H new ATOM 591 N ILE A 37 -5.648 -1.198 3.778 1.00 0.24 N ATOM 592 CA ILE A 37 -4.538 -2.076 4.132 1.00 0.26 C ATOM 593 C ILE A 37 -3.669 -2.356 2.920 1.00 0.33 C ATOM 594 O ILE A 37 -4.093 -3.024 1.981 1.00 0.70 O ATOM 595 CB ILE A 37 -4.996 -3.424 4.724 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.336 -3.292 5.468 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.910 -3.963 5.645 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.214 -2.795 6.894 1.00 1.14 C ATOM 0 H ILE A 37 -6.219 -1.525 2.998 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.973 -1.544 4.897 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.158 -4.127 3.907 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.980 -2.611 4.913 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.831 -4.263 5.476 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.230 -4.916 6.066 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.990 -4.107 5.078 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.731 -3.252 6.452 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.205 -2.732 7.343 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -5.598 -3.487 7.469 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -5.751 -1.808 6.897 1.00 1.14 H new ATOM 610 N VAL A 38 -2.449 -1.839 2.944 1.00 0.36 N ATOM 611 CA VAL A 38 -1.526 -2.032 1.837 1.00 0.42 C ATOM 612 C VAL A 38 -0.527 -3.153 2.133 1.00 0.35 C ATOM 613 O VAL A 38 0.291 -3.049 3.047 1.00 0.48 O ATOM 614 CB VAL A 38 -0.790 -0.709 1.498 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.384 0.014 2.769 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.414 -0.931 0.587 1.00 0.51 C ATOM 0 H VAL A 38 -2.077 -1.285 3.715 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.109 -2.331 0.966 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.490 -0.082 0.946 1.00 0.63 H new ATOM 0 HG11 VAL A 38 0.131 0.940 2.512 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.273 0.244 3.356 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.282 -0.622 3.352 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.894 0.025 0.379 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.125 -1.595 1.079 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.084 -1.382 -0.349 1.00 0.51 H new ATOM 626 N GLU A 39 -0.604 -4.222 1.338 1.00 0.30 N ATOM 627 CA GLU A 39 0.288 -5.368 1.495 1.00 0.33 C ATOM 628 C GLU A 39 1.667 -5.046 0.933 1.00 0.32 C ATOM 629 O GLU A 39 1.780 -4.360 -0.083 1.00 0.43 O ATOM 630 CB GLU A 39 -0.291 -6.591 0.784 1.00 0.42 C ATOM 631 CG GLU A 39 -1.688 -6.963 1.253 1.00 0.51 C ATOM 632 CD GLU A 39 -1.816 -8.434 1.593 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.041 -9.239 0.665 1.00 1.52 O ATOM 634 OE2 GLU A 39 -1.692 -8.782 2.786 1.00 1.67 O ATOM 0 H GLU A 39 -1.277 -4.316 0.578 1.00 0.30 H new ATOM 0 HA GLU A 39 0.383 -5.589 2.558 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.316 -6.399 -0.289 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.374 -7.440 0.940 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.943 -6.368 2.130 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.408 -6.710 0.475 1.00 0.51 H new ATOM 641 N LYS A 40 2.711 -5.538 1.598 1.00 0.28 N ATOM 642 CA LYS A 40 4.063 -5.306 1.187 1.00 0.31 C ATOM 643 C LYS A 40 4.657 -6.559 0.569 1.00 0.29 C ATOM 644 O LYS A 40 4.355 -7.673 0.993 1.00 0.35 O ATOM 645 CB LYS A 40 4.878 -4.927 2.409 1.00 0.43 C ATOM 646 CG LYS A 40 6.316 -4.704 2.094 1.00 0.92 C ATOM 647 CD LYS A 40 7.180 -4.597 3.351 1.00 1.14 C ATOM 648 CE LYS A 40 6.530 -3.753 4.440 1.00 1.65 C ATOM 649 NZ LYS A 40 7.381 -3.671 5.659 1.00 1.97 N ATOM 0 H LYS A 40 2.625 -6.109 2.439 1.00 0.28 H new ATOM 0 HA LYS A 40 4.080 -4.508 0.445 1.00 0.31 H new ATOM 0 HB2 LYS A 40 4.462 -4.022 2.851 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.792 -5.715 3.157 1.00 0.43 H new ATOM 0 HG2 LYS A 40 6.681 -5.524 1.475 1.00 0.92 H new ATOM 0 HG3 LYS A 40 6.419 -3.791 1.507 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.375 -5.597 3.739 1.00 1.14 H new ATOM 0 HD3 LYS A 40 8.145 -4.163 3.088 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.344 -2.749 4.059 1.00 1.65 H new ATOM 0 HE3 LYS A 40 5.562 -4.180 4.701 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.141 -2.812 6.193 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.215 -4.507 6.255 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 8.383 -3.637 5.381 1.00 1.97 H new ATOM 663 N ARG A 41 5.519 -6.378 -0.417 1.00 0.36 N ATOM 664 CA ARG A 41 6.157 -7.512 -1.055 1.00 0.40 C ATOM 665 C ARG A 41 7.662 -7.310 -1.117 1.00 0.41 C ATOM 666 O ARG A 41 8.170 -6.582 -1.974 1.00 0.43 O ATOM 667 CB ARG A 41 5.592 -7.743 -2.457 1.00 0.46 C ATOM 668 CG ARG A 41 6.289 -8.861 -3.213 1.00 0.58 C ATOM 669 CD ARG A 41 5.296 -9.903 -3.704 1.00 0.88 C ATOM 670 NE ARG A 41 4.963 -9.727 -5.116 1.00 0.95 N ATOM 671 CZ ARG A 41 4.351 -10.653 -5.846 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.006 -11.810 -5.300 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.081 -10.423 -7.123 1.00 1.44 N ATOM 0 H ARG A 41 5.790 -5.467 -0.788 1.00 0.36 H new ATOM 0 HA ARG A 41 5.948 -8.398 -0.455 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.530 -7.975 -2.379 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.675 -6.820 -3.031 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.831 -8.445 -4.062 1.00 0.58 H new ATOM 0 HG3 ARG A 41 7.026 -9.336 -2.565 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.712 -10.899 -3.552 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.385 -9.844 -3.108 1.00 0.88 H new ATOM 0 HE ARG A 41 5.214 -8.846 -5.565 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.210 -11.991 -4.317 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.536 -12.519 -5.862 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.343 -9.533 -7.548 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.611 -11.136 -7.681 1.00 1.44 H new ATOM 687 N ASP A 42 8.367 -7.957 -0.195 1.00 0.50 N ATOM 688 CA ASP A 42 9.823 -7.850 -0.139 1.00 0.57 C ATOM 689 C ASP A 42 10.462 -8.576 -1.317 1.00 0.62 C ATOM 690 O ASP A 42 10.956 -9.694 -1.173 1.00 0.91 O ATOM 691 CB ASP A 42 10.391 -8.419 1.174 1.00 0.71 C ATOM 692 CG ASP A 42 9.568 -9.552 1.757 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.392 -9.311 2.109 1.00 1.49 O ATOM 694 OD2 ASP A 42 10.098 -10.678 1.863 1.00 1.59 O ATOM 0 H ASP A 42 7.958 -8.558 0.520 1.00 0.50 H new ATOM 0 HA ASP A 42 10.064 -6.788 -0.187 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.406 -8.774 0.996 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.458 -7.616 1.908 1.00 0.71 H new ATOM 699 N LEU A 43 10.448 -7.938 -2.481 1.00 0.63 N ATOM 700 CA LEU A 43 11.027 -8.530 -3.681 1.00 0.68 C ATOM 701 C LEU A 43 12.448 -9.031 -3.415 1.00 0.81 C ATOM 702 O LEU A 43 13.124 -8.540 -2.510 1.00 0.90 O ATOM 703 CB LEU A 43 11.032 -7.511 -4.820 1.00 0.62 C ATOM 704 CG LEU A 43 9.659 -6.942 -5.177 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.777 -5.937 -6.310 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.699 -8.060 -5.550 1.00 0.70 C ATOM 0 H LEU A 43 10.043 -7.012 -2.620 1.00 0.63 H new ATOM 0 HA LEU A 43 10.414 -9.384 -3.969 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.692 -6.687 -4.549 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.457 -7.981 -5.707 1.00 0.62 H new ATOM 0 HG LEU A 43 9.261 -6.427 -4.302 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.790 -5.542 -6.551 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.430 -5.119 -6.005 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.196 -6.427 -7.189 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.727 -7.636 -5.801 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.091 -8.604 -6.410 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.590 -8.743 -4.707 1.00 0.70 H new ATOM 718 N PRO A 44 12.924 -10.024 -4.196 1.00 0.92 N ATOM 719 CA PRO A 44 12.162 -10.640 -5.283 1.00 0.99 C ATOM 720 C PRO A 44 11.302 -11.811 -4.812 1.00 1.15 C ATOM 721 O PRO A 44 11.014 -12.725 -5.585 1.00 1.43 O ATOM 722 CB PRO A 44 13.266 -11.134 -6.208 1.00 1.15 C ATOM 723 CG PRO A 44 14.367 -11.531 -5.283 1.00 1.25 C ATOM 724 CD PRO A 44 14.268 -10.622 -4.078 1.00 1.08 C ATOM 0 HA PRO A 44 11.456 -9.947 -5.742 1.00 0.99 H new ATOM 0 HB2 PRO A 44 12.931 -11.976 -6.814 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.587 -10.353 -6.898 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.268 -12.576 -4.989 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.337 -11.427 -5.768 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.378 -11.179 -3.147 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.047 -9.860 -4.087 1.00 1.08 H new ATOM 732 N ASN A 45 10.893 -11.784 -3.546 1.00 1.14 N ATOM 733 CA ASN A 45 10.069 -12.853 -2.994 1.00 1.33 C ATOM 734 C ASN A 45 8.798 -12.292 -2.359 1.00 1.43 C ATOM 735 O ASN A 45 7.726 -12.332 -2.963 1.00 2.42 O ATOM 736 CB ASN A 45 10.869 -13.664 -1.972 1.00 1.66 C ATOM 737 CG ASN A 45 12.114 -14.284 -2.575 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.139 -13.464 -2.786 1.00 2.66 O flip ATOM 739 ND2 ASN A 45 12.156 -15.483 -2.847 1.00 1.89 N flip ATOM 0 H ASN A 45 11.118 -11.038 -2.888 1.00 1.14 H new ATOM 0 HA ASN A 45 9.773 -13.513 -3.810 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.154 -13.018 -1.142 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.237 -14.451 -1.561 1.00 1.66 H new ATOM 0 HD21 ASN A 45 11.345 -16.075 -2.668 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.002 -15.885 -3.251 1.00 1.89 H new ATOM 746 N GLY A 46 8.922 -11.769 -1.143 1.00 0.90 N ATOM 747 CA GLY A 46 7.775 -11.207 -0.455 1.00 1.12 C ATOM 748 C GLY A 46 6.569 -12.127 -0.469 1.00 0.76 C ATOM 749 O GLY A 46 6.628 -13.234 -1.003 1.00 0.96 O ATOM 0 H GLY A 46 9.798 -11.725 -0.622 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.048 -10.990 0.578 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.507 -10.258 -0.920 1.00 1.12 H new ATOM 753 N ARG A 47 5.472 -11.665 0.123 1.00 0.80 N ATOM 754 CA ARG A 47 4.240 -12.449 0.180 1.00 0.76 C ATOM 755 C ARG A 47 3.050 -11.553 0.504 1.00 0.85 C ATOM 756 O ARG A 47 2.084 -11.986 1.131 1.00 1.71 O ATOM 757 CB ARG A 47 4.340 -13.579 1.219 1.00 0.99 C ATOM 758 CG ARG A 47 5.547 -13.488 2.146 1.00 1.31 C ATOM 759 CD ARG A 47 5.501 -12.237 3.007 1.00 1.11 C ATOM 760 NE ARG A 47 6.313 -12.377 4.212 1.00 1.41 N ATOM 761 CZ ARG A 47 6.755 -11.347 4.926 1.00 1.71 C ATOM 762 NH1 ARG A 47 6.464 -10.108 4.557 1.00 2.41 N ATOM 763 NH2 ARG A 47 7.489 -11.559 6.010 1.00 2.03 N ATOM 0 H ARG A 47 5.410 -10.751 0.571 1.00 0.80 H new ATOM 0 HA ARG A 47 4.093 -12.900 -0.802 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.433 -13.579 1.824 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.373 -14.534 0.695 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.581 -14.369 2.786 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.462 -13.489 1.553 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.855 -11.384 2.428 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.469 -12.026 3.287 1.00 1.11 H new ATOM 0 HE ARG A 47 6.555 -13.318 4.523 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.900 -9.943 3.723 1.00 2.41 H new ATOM 0 HH12 ARG A 47 6.804 -9.319 5.107 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.714 -12.512 6.295 1.00 2.03 H new ATOM 0 HH22 ARG A 47 7.829 -10.769 6.558 1.00 2.03 H new ATOM 777 N TRP A 48 3.131 -10.299 0.070 1.00 0.50 N ATOM 778 CA TRP A 48 2.071 -9.325 0.302 1.00 0.43 C ATOM 779 C TRP A 48 1.548 -9.393 1.734 1.00 0.45 C ATOM 780 O TRP A 48 0.600 -10.124 2.024 1.00 0.65 O ATOM 781 CB TRP A 48 0.926 -9.549 -0.677 1.00 0.47 C ATOM 782 CG TRP A 48 1.367 -9.510 -2.103 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.285 -10.523 -3.011 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.968 -8.403 -2.787 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.796 -10.115 -4.217 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.221 -8.819 -4.106 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.315 -7.102 -2.412 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.806 -7.983 -5.052 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.896 -6.272 -3.353 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.134 -6.717 -4.659 1.00 0.38 C ATOM 0 H TRP A 48 3.928 -9.931 -0.449 1.00 0.50 H new ATOM 0 HA TRP A 48 2.495 -8.333 0.145 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.462 -10.514 -0.471 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.163 -8.787 -0.517 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.878 -11.503 -2.811 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.850 -10.686 -5.061 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.133 -6.752 -1.407 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.994 -8.323 -6.060 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.170 -5.265 -3.076 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.587 -6.044 -5.372 1.00 0.38 H new ATOM 801 N LEU A 49 2.168 -8.629 2.625 1.00 0.38 N ATOM 802 CA LEU A 49 1.759 -8.606 4.024 1.00 0.42 C ATOM 803 C LEU A 49 1.366 -7.194 4.445 1.00 0.36 C ATOM 804 O LEU A 49 2.126 -6.248 4.246 1.00 0.39 O ATOM 805 CB LEU A 49 2.891 -9.125 4.914 1.00 0.52 C ATOM 806 CG LEU A 49 2.607 -10.453 5.618 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.567 -10.266 6.713 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.148 -11.501 4.616 1.00 0.84 C ATOM 0 H LEU A 49 2.955 -8.018 2.404 1.00 0.38 H new ATOM 0 HA LEU A 49 0.892 -9.256 4.140 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.788 -9.239 4.305 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.113 -8.371 5.670 1.00 0.52 H new ATOM 0 HG LEU A 49 3.531 -10.802 6.080 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.378 -11.221 7.202 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.936 -9.549 7.447 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.641 -9.893 6.275 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.951 -12.439 5.135 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.237 -11.160 4.124 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.927 -11.656 3.869 1.00 0.84 H new ATOM 820 N LYS A 50 0.176 -7.057 5.027 1.00 0.40 N ATOM 821 CA LYS A 50 -0.307 -5.753 5.472 1.00 0.40 C ATOM 822 C LYS A 50 0.726 -5.073 6.361 1.00 0.47 C ATOM 823 O LYS A 50 0.722 -5.247 7.579 1.00 0.85 O ATOM 824 CB LYS A 50 -1.632 -5.890 6.227 1.00 0.59 C ATOM 825 CG LYS A 50 -1.592 -6.907 7.354 1.00 0.72 C ATOM 826 CD LYS A 50 -2.247 -6.366 8.615 1.00 1.03 C ATOM 827 CE LYS A 50 -3.656 -5.863 8.342 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.569 -6.123 9.489 1.00 1.30 N ATOM 0 H LYS A 50 -0.468 -7.829 5.200 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.472 -5.138 4.587 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.908 -4.918 6.636 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.414 -6.173 5.522 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.100 -7.819 7.041 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.557 -7.176 7.567 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -2.280 -7.149 9.373 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -1.642 -5.555 9.020 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.626 -4.793 8.137 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.048 -6.348 7.448 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.519 -5.766 9.264 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.617 -7.146 9.669 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.209 -5.639 10.336 1.00 1.30 H new ATOM 842 N ALA A 51 1.608 -4.297 5.741 1.00 0.45 N ATOM 843 CA ALA A 51 2.648 -3.590 6.473 1.00 0.63 C ATOM 844 C ALA A 51 2.036 -2.636 7.486 1.00 0.55 C ATOM 845 O ALA A 51 2.458 -2.582 8.641 1.00 0.72 O ATOM 846 CB ALA A 51 3.548 -2.829 5.513 1.00 0.86 C ATOM 0 H ALA A 51 1.622 -4.143 4.733 1.00 0.45 H new ATOM 0 HA ALA A 51 3.249 -4.325 7.009 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.321 -2.306 6.076 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.015 -3.529 4.820 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.954 -2.106 4.953 1.00 0.86 H new ATOM 852 N ASN A 52 1.037 -1.883 7.043 1.00 0.42 N ATOM 853 CA ASN A 52 0.366 -0.926 7.908 1.00 0.43 C ATOM 854 C ASN A 52 -0.373 -1.621 9.047 1.00 0.59 C ATOM 855 O ASN A 52 -1.465 -2.157 8.860 1.00 1.60 O ATOM 856 CB ASN A 52 -0.614 -0.076 7.104 1.00 0.38 C ATOM 857 CG ASN A 52 -1.764 -0.882 6.541 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.589 -1.687 5.624 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.951 -0.669 7.092 1.00 0.62 N ATOM 0 H ASN A 52 0.675 -1.918 6.090 1.00 0.42 H new ATOM 0 HA ASN A 52 1.133 -0.284 8.340 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -1.009 0.716 7.741 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.081 0.409 6.286 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.767 -1.182 6.759 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -3.048 0.008 7.849 1.00 0.62 H new ATOM 866 N PHE A 53 0.224 -1.596 10.230 1.00 0.81 N ATOM 867 CA PHE A 53 -0.384 -2.209 11.401 1.00 0.82 C ATOM 868 C PHE A 53 -1.383 -1.252 12.054 1.00 0.84 C ATOM 869 O PHE A 53 -2.208 -1.663 12.871 1.00 1.20 O ATOM 870 CB PHE A 53 0.692 -2.608 12.409 1.00 0.96 C ATOM 871 CG PHE A 53 0.935 -4.087 12.481 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.123 -4.982 12.455 1.00 1.32 C ATOM 873 CD2 PHE A 53 2.225 -4.584 12.575 1.00 1.68 C ATOM 874 CE1 PHE A 53 0.101 -6.344 12.521 1.00 1.66 C ATOM 875 CE2 PHE A 53 2.456 -5.944 12.643 1.00 2.08 C ATOM 876 CZ PHE A 53 1.392 -6.826 12.616 1.00 1.96 C ATOM 0 H PHE A 53 1.129 -1.158 10.404 1.00 0.81 H new ATOM 0 HA PHE A 53 -0.918 -3.103 11.080 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.625 -2.108 12.148 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.403 -2.248 13.396 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.134 -4.611 12.382 1.00 1.32 H new ATOM 0 HD2 PHE A 53 3.060 -3.899 12.595 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -0.732 -7.031 12.498 1.00 1.66 H new ATOM 0 HE2 PHE A 53 3.467 -6.318 12.717 1.00 2.08 H new ATOM 0 HZ PHE A 53 1.570 -7.890 12.669 1.00 1.96 H new ATOM 886 N SER A 54 -1.304 0.029 11.687 1.00 0.79 N ATOM 887 CA SER A 54 -2.199 1.039 12.234 1.00 0.89 C ATOM 888 C SER A 54 -3.491 1.104 11.422 1.00 0.95 C ATOM 889 O SER A 54 -3.872 0.130 10.773 1.00 1.89 O ATOM 890 CB SER A 54 -1.506 2.403 12.245 1.00 1.00 C ATOM 891 OG SER A 54 -1.533 3.000 10.960 1.00 1.71 O ATOM 0 H SER A 54 -0.628 0.387 11.013 1.00 0.79 H new ATOM 0 HA SER A 54 -2.451 0.765 13.258 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.998 3.058 12.964 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.473 2.287 12.574 1.00 1.00 H new ATOM 0 HG SER A 54 -1.085 3.871 10.995 1.00 1.71 H new ATOM 897 N ASN A 55 -4.167 2.250 11.462 1.00 0.75 N ATOM 898 CA ASN A 55 -5.416 2.418 10.729 1.00 0.69 C ATOM 899 C ASN A 55 -5.287 3.472 9.632 1.00 0.66 C ATOM 900 O ASN A 55 -5.228 4.669 9.912 1.00 1.05 O ATOM 901 CB ASN A 55 -6.538 2.808 11.695 1.00 0.84 C ATOM 902 CG ASN A 55 -7.901 2.317 11.242 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.296 2.688 10.031 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -8.590 1.610 11.977 1.00 0.83 N flip ATOM 0 H ASN A 55 -3.872 3.070 11.991 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.655 1.467 10.253 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.320 2.400 12.682 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.563 3.893 11.797 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.247 1.349 12.901 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -9.504 1.286 11.662 1.00 0.83 H new ATOM 911 N ILE A 56 -5.262 3.019 8.380 1.00 0.40 N ATOM 912 CA ILE A 56 -5.164 3.925 7.242 1.00 0.33 C ATOM 913 C ILE A 56 -6.536 4.529 6.947 1.00 0.31 C ATOM 914 O ILE A 56 -7.553 3.852 7.078 1.00 0.53 O ATOM 915 CB ILE A 56 -4.663 3.206 5.973 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.571 2.183 6.292 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.151 4.208 4.956 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.404 2.743 7.053 1.00 0.69 C ATOM 0 H ILE A 56 -5.308 2.031 8.130 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.446 4.701 7.506 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.513 2.670 5.551 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -4.009 1.369 6.869 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.208 1.753 5.358 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.802 3.680 4.069 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.956 4.890 4.680 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.327 4.776 5.388 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.677 1.952 7.238 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -1.937 3.537 6.470 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.750 3.147 8.004 1.00 0.69 H new ATOM 930 N LEU A 57 -6.572 5.799 6.551 1.00 0.44 N ATOM 931 CA LEU A 57 -7.842 6.460 6.250 1.00 0.45 C ATOM 932 C LEU A 57 -7.701 7.460 5.104 1.00 0.42 C ATOM 933 O LEU A 57 -8.247 7.257 4.020 1.00 0.60 O ATOM 934 CB LEU A 57 -8.378 7.168 7.497 1.00 0.48 C ATOM 935 CG LEU A 57 -9.679 6.590 8.058 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.168 7.421 9.233 1.00 1.60 C ATOM 937 CD2 LEU A 57 -10.742 6.519 6.972 1.00 0.72 C ATOM 0 H LEU A 57 -5.747 6.387 6.432 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.548 5.690 5.938 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.615 7.129 8.275 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.538 8.220 7.259 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.483 5.578 8.412 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.094 6.995 9.619 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.413 7.420 10.019 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.348 8.445 8.905 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.661 6.106 7.388 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.936 7.520 6.587 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.392 5.880 6.161 1.00 0.72 H new ATOM 949 N GLU A 58 -6.970 8.542 5.355 1.00 0.39 N ATOM 950 CA GLU A 58 -6.758 9.584 4.347 1.00 0.43 C ATOM 951 C GLU A 58 -6.180 9.022 3.046 1.00 0.51 C ATOM 952 O GLU A 58 -6.246 9.673 2.006 1.00 1.09 O ATOM 953 CB GLU A 58 -5.822 10.664 4.890 1.00 0.44 C ATOM 954 CG GLU A 58 -4.585 10.122 5.591 1.00 0.44 C ATOM 955 CD GLU A 58 -4.258 10.879 6.864 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.332 12.125 6.849 1.00 1.54 O ATOM 957 OE2 GLU A 58 -3.927 10.225 7.876 1.00 1.29 O ATOM 0 H GLU A 58 -6.512 8.723 6.248 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.735 10.014 4.124 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.508 11.304 4.066 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.376 11.292 5.588 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.738 9.069 5.828 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.734 10.176 4.912 1.00 0.44 H new ATOM 964 N ASN A 59 -5.612 7.820 3.124 1.00 0.31 N ATOM 965 CA ASN A 59 -5.000 7.131 1.986 1.00 0.28 C ATOM 966 C ASN A 59 -3.512 7.463 1.887 1.00 0.28 C ATOM 967 O ASN A 59 -2.751 6.739 1.250 1.00 0.49 O ATOM 968 CB ASN A 59 -5.761 7.422 0.679 1.00 0.32 C ATOM 969 CG ASN A 59 -5.208 8.567 -0.166 1.00 0.86 C ATOM 970 OD1 ASN A 59 -4.004 8.708 -0.347 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.101 9.387 -0.703 1.00 0.91 N ATOM 0 H ASN A 59 -5.563 7.288 3.993 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.076 6.057 2.153 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.765 6.516 0.073 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.799 7.645 0.926 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -5.793 10.164 -1.287 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.096 9.241 -0.532 1.00 0.91 H new ATOM 978 N GLU A 60 -3.103 8.547 2.538 1.00 0.29 N ATOM 979 CA GLU A 60 -1.707 8.955 2.542 1.00 0.29 C ATOM 980 C GLU A 60 -1.009 8.276 3.705 1.00 0.27 C ATOM 981 O GLU A 60 -0.905 8.837 4.796 1.00 0.35 O ATOM 982 CB GLU A 60 -1.594 10.476 2.669 1.00 0.34 C ATOM 983 CG GLU A 60 -0.168 10.971 2.842 1.00 0.49 C ATOM 984 CD GLU A 60 -0.100 12.463 3.105 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.887 12.954 3.941 1.00 2.05 O ATOM 986 OE2 GLU A 60 0.739 13.139 2.474 1.00 1.91 O ATOM 0 H GLU A 60 -3.722 9.159 3.070 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.236 8.661 1.604 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.024 10.939 1.781 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.189 10.806 3.520 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.301 10.438 3.669 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.406 10.737 1.946 1.00 0.49 H new ATOM 993 N PHE A 61 -0.556 7.053 3.475 1.00 0.24 N ATOM 994 CA PHE A 61 0.104 6.286 4.517 1.00 0.24 C ATOM 995 C PHE A 61 1.568 6.032 4.187 1.00 0.24 C ATOM 996 O PHE A 61 2.007 6.190 3.048 1.00 0.25 O ATOM 997 CB PHE A 61 -0.633 4.951 4.719 1.00 0.28 C ATOM 998 CG PHE A 61 0.136 3.947 5.537 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.142 4.022 6.921 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.836 2.921 4.923 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.835 3.098 7.673 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.534 1.995 5.672 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.574 2.107 7.042 1.00 0.48 C ATOM 0 H PHE A 61 -0.634 6.573 2.579 1.00 0.24 H new ATOM 0 HA PHE A 61 0.071 6.867 5.438 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.589 5.145 5.205 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.853 4.518 3.743 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.402 4.813 7.415 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.836 2.845 3.846 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.803 3.145 8.752 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.049 1.182 5.182 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.178 1.427 7.624 1.00 0.48 H new ATOM 1013 N THR A 62 2.306 5.616 5.207 1.00 0.25 N ATOM 1014 CA THR A 62 3.714 5.306 5.067 1.00 0.27 C ATOM 1015 C THR A 62 3.979 3.885 5.516 1.00 0.29 C ATOM 1016 O THR A 62 3.771 3.543 6.678 1.00 0.35 O ATOM 1017 CB THR A 62 4.575 6.279 5.869 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.367 7.612 5.434 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.058 5.989 5.767 1.00 0.37 C ATOM 0 H THR A 62 1.942 5.486 6.151 1.00 0.25 H new ATOM 0 HA THR A 62 3.981 5.406 4.015 1.00 0.27 H new ATOM 0 HB THR A 62 4.265 6.150 6.906 1.00 0.33 H new ATOM 0 HG1 THR A 62 5.026 7.838 4.745 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.613 6.717 6.360 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.259 4.986 6.143 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.371 6.056 4.725 1.00 0.37 H new ATOM 1027 N VAL A 63 4.431 3.055 4.588 1.00 0.31 N ATOM 1028 CA VAL A 63 4.708 1.672 4.901 1.00 0.36 C ATOM 1029 C VAL A 63 6.094 1.507 5.502 1.00 0.38 C ATOM 1030 O VAL A 63 7.065 1.236 4.796 1.00 0.50 O ATOM 1031 CB VAL A 63 4.580 0.787 3.653 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.810 -0.669 4.006 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.215 0.977 3.014 1.00 0.58 C ATOM 0 H VAL A 63 4.611 3.318 3.619 1.00 0.31 H new ATOM 0 HA VAL A 63 3.969 1.356 5.637 1.00 0.36 H new ATOM 0 HB VAL A 63 5.343 1.085 2.934 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.715 -1.280 3.109 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.810 -0.789 4.423 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.070 -0.986 4.741 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.136 0.344 2.130 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.438 0.702 3.727 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.090 2.021 2.726 1.00 0.58 H new ATOM 1043 N SER A 64 6.172 1.672 6.815 1.00 0.49 N ATOM 1044 CA SER A 64 7.434 1.540 7.527 1.00 0.55 C ATOM 1045 C SER A 64 7.732 0.076 7.817 1.00 0.63 C ATOM 1046 O SER A 64 6.859 -0.670 8.260 1.00 0.99 O ATOM 1047 CB SER A 64 7.396 2.335 8.832 1.00 0.63 C ATOM 1048 OG SER A 64 6.079 2.398 9.355 1.00 1.33 O ATOM 0 H SER A 64 5.374 1.898 7.409 1.00 0.49 H new ATOM 0 HA SER A 64 8.227 1.940 6.895 1.00 0.55 H new ATOM 0 HB2 SER A 64 8.059 1.872 9.563 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.770 3.344 8.657 1.00 0.63 H new ATOM 0 HG SER A 64 5.669 1.509 9.316 1.00 1.33 H new ATOM 1054 N GLY A 65 8.968 -0.330 7.563 1.00 0.71 N ATOM 1055 CA GLY A 65 9.355 -1.706 7.801 1.00 0.78 C ATOM 1056 C GLY A 65 10.277 -2.254 6.729 1.00 0.72 C ATOM 1057 O GLY A 65 10.898 -3.300 6.917 1.00 0.90 O ATOM 0 H GLY A 65 9.709 0.268 7.197 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.850 -1.776 8.770 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.460 -2.326 7.855 1.00 0.78 H new ATOM 1061 N LEU A 66 10.370 -1.550 5.602 1.00 0.64 N ATOM 1062 CA LEU A 66 11.225 -1.979 4.505 1.00 0.65 C ATOM 1063 C LEU A 66 12.650 -2.224 4.998 1.00 0.59 C ATOM 1064 O LEU A 66 12.917 -2.193 6.199 1.00 0.65 O ATOM 1065 CB LEU A 66 11.233 -0.926 3.388 1.00 0.74 C ATOM 1066 CG LEU A 66 9.861 -0.480 2.837 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.756 -1.476 3.164 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.506 0.900 3.366 1.00 0.89 C ATOM 0 H LEU A 66 9.863 -0.682 5.428 1.00 0.64 H new ATOM 0 HA LEU A 66 10.826 -2.912 4.108 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.753 -0.043 3.759 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.821 -1.317 2.558 1.00 0.74 H new ATOM 0 HG LEU A 66 9.944 -0.439 1.751 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.811 -1.118 2.756 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.997 -2.444 2.725 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.668 -1.580 4.245 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.537 1.203 2.970 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.461 0.872 4.455 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.266 1.616 3.053 1.00 0.89 H new ATOM 1080 N THR A 67 13.561 -2.467 4.063 1.00 0.65 N ATOM 1081 CA THR A 67 14.957 -2.718 4.407 1.00 0.69 C ATOM 1082 C THR A 67 15.891 -2.223 3.308 1.00 0.72 C ATOM 1083 O THR A 67 15.586 -2.341 2.121 1.00 1.06 O ATOM 1084 CB THR A 67 15.184 -4.212 4.647 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.375 -4.679 5.711 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.621 -4.554 4.980 1.00 0.99 C ATOM 0 H THR A 67 13.360 -2.496 3.063 1.00 0.65 H new ATOM 0 HA THR A 67 15.181 -2.169 5.322 1.00 0.69 H new ATOM 0 HB THR A 67 14.920 -4.697 3.707 1.00 0.75 H new ATOM 0 HG1 THR A 67 14.534 -5.636 5.847 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.712 -5.629 5.138 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.267 -4.253 4.156 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.920 -4.027 5.886 1.00 0.99 H new ATOM 1094 N GLU A 68 17.032 -1.673 3.713 1.00 0.66 N ATOM 1095 CA GLU A 68 18.014 -1.162 2.766 1.00 0.67 C ATOM 1096 C GLU A 68 18.491 -2.261 1.818 1.00 0.60 C ATOM 1097 O GLU A 68 18.748 -3.388 2.238 1.00 0.69 O ATOM 1098 CB GLU A 68 19.205 -0.566 3.516 1.00 0.76 C ATOM 1099 CG GLU A 68 19.366 0.929 3.298 1.00 0.96 C ATOM 1100 CD GLU A 68 19.501 1.293 1.833 1.00 1.32 C ATOM 1101 OE1 GLU A 68 18.664 0.834 1.028 1.00 1.89 O ATOM 1102 OE2 GLU A 68 20.446 2.035 1.491 1.00 1.91 O ATOM 0 H GLU A 68 17.298 -1.570 4.692 1.00 0.66 H new ATOM 0 HA GLU A 68 17.536 -0.384 2.171 1.00 0.67 H new ATOM 0 HB2 GLU A 68 19.088 -0.760 4.582 1.00 0.76 H new ATOM 0 HB3 GLU A 68 20.116 -1.073 3.198 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.506 1.449 3.720 1.00 0.96 H new ATOM 0 HG3 GLU A 68 20.246 1.279 3.838 1.00 0.96 H new ATOM 1109 N ASP A 69 18.606 -1.919 0.537 1.00 0.52 N ATOM 1110 CA ASP A 69 19.050 -2.867 -0.478 1.00 0.49 C ATOM 1111 C ASP A 69 17.993 -3.936 -0.735 1.00 0.44 C ATOM 1112 O ASP A 69 18.296 -5.128 -0.741 1.00 0.54 O ATOM 1113 CB ASP A 69 20.363 -3.526 -0.051 1.00 0.59 C ATOM 1114 CG ASP A 69 20.992 -4.338 -1.167 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.628 -3.733 -2.055 1.00 1.66 O ATOM 1116 OD2 ASP A 69 20.849 -5.578 -1.151 1.00 1.87 O ATOM 0 H ASP A 69 18.396 -0.988 0.178 1.00 0.52 H new ATOM 0 HA ASP A 69 19.210 -2.314 -1.404 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.063 -2.757 0.274 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.179 -4.173 0.807 1.00 0.59 H new ATOM 1121 N ALA A 70 16.751 -3.507 -0.950 1.00 0.40 N ATOM 1122 CA ALA A 70 15.662 -4.441 -1.208 1.00 0.40 C ATOM 1123 C ALA A 70 14.471 -3.745 -1.848 1.00 0.35 C ATOM 1124 O ALA A 70 13.891 -2.826 -1.270 1.00 0.36 O ATOM 1125 CB ALA A 70 15.230 -5.114 0.082 1.00 0.49 C ATOM 0 H ALA A 70 16.477 -2.525 -0.950 1.00 0.40 H new ATOM 0 HA ALA A 70 16.031 -5.194 -1.905 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.416 -5.809 -0.125 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.073 -5.659 0.508 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.891 -4.358 0.791 1.00 0.49 H new ATOM 1131 N ALA A 71 14.099 -4.196 -3.041 1.00 0.33 N ATOM 1132 CA ALA A 71 12.964 -3.622 -3.746 1.00 0.30 C ATOM 1133 C ALA A 71 11.671 -4.025 -3.062 1.00 0.27 C ATOM 1134 O ALA A 71 11.475 -5.192 -2.723 1.00 0.36 O ATOM 1135 CB ALA A 71 12.968 -4.054 -5.204 1.00 0.34 C ATOM 0 H ALA A 71 14.567 -4.955 -3.537 1.00 0.33 H new ATOM 0 HA ALA A 71 13.043 -2.535 -3.719 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.112 -3.615 -5.716 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.888 -3.716 -5.681 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.907 -5.141 -5.262 1.00 0.34 H new ATOM 1141 N TYR A 72 10.798 -3.053 -2.839 1.00 0.24 N ATOM 1142 CA TYR A 72 9.541 -3.322 -2.165 1.00 0.24 C ATOM 1143 C TYR A 72 8.328 -2.815 -2.940 1.00 0.21 C ATOM 1144 O TYR A 72 8.209 -1.623 -3.220 1.00 0.23 O ATOM 1145 CB TYR A 72 9.564 -2.669 -0.790 1.00 0.30 C ATOM 1146 CG TYR A 72 10.152 -3.542 0.284 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.377 -4.489 0.944 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.489 -3.422 0.631 1.00 0.36 C ATOM 1149 CE1 TYR A 72 9.930 -5.291 1.927 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.050 -4.215 1.606 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.209 -5.158 2.280 1.00 0.46 C ATOM 1152 OH TYR A 72 11.820 -5.947 3.231 1.00 0.56 O ATOM 0 H TYR A 72 10.937 -2.080 -3.113 1.00 0.24 H new ATOM 0 HA TYR A 72 9.442 -4.405 -2.086 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.136 -1.743 -0.847 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.546 -2.398 -0.509 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.334 -4.600 0.687 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.103 -2.691 0.126 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.317 -6.035 2.415 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.097 -4.128 1.856 1.00 0.42 H new ATOM 0 HH TYR A 72 12.757 -5.676 3.328 1.00 0.56 H new ATOM 1162 N GLU A 73 7.416 -3.731 -3.256 1.00 0.21 N ATOM 1163 CA GLU A 73 6.188 -3.388 -3.968 1.00 0.21 C ATOM 1164 C GLU A 73 5.021 -3.457 -2.987 1.00 0.23 C ATOM 1165 O GLU A 73 4.965 -4.368 -2.161 1.00 0.32 O ATOM 1166 CB GLU A 73 5.959 -4.349 -5.135 1.00 0.25 C ATOM 1167 CG GLU A 73 5.669 -3.652 -6.454 1.00 0.65 C ATOM 1168 CD GLU A 73 5.681 -4.606 -7.632 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.507 -5.823 -7.412 1.00 1.50 O ATOM 1170 OE2 GLU A 73 5.864 -4.135 -8.774 1.00 1.32 O ATOM 0 H GLU A 73 7.505 -4.721 -3.029 1.00 0.21 H new ATOM 0 HA GLU A 73 6.270 -2.380 -4.375 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.841 -4.979 -5.253 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.126 -5.009 -4.892 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.696 -3.164 -6.397 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.410 -2.869 -6.618 1.00 0.65 H new ATOM 1177 N PHE A 74 4.098 -2.498 -3.045 1.00 0.22 N ATOM 1178 CA PHE A 74 2.968 -2.523 -2.085 1.00 0.28 C ATOM 1179 C PHE A 74 1.599 -2.275 -2.715 1.00 0.25 C ATOM 1180 O PHE A 74 1.315 -1.184 -3.201 1.00 0.30 O ATOM 1181 CB PHE A 74 3.169 -1.504 -0.950 1.00 0.39 C ATOM 1182 CG PHE A 74 4.549 -0.930 -0.862 1.00 0.36 C ATOM 1183 CD1 PHE A 74 4.899 0.154 -1.645 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.492 -1.470 -0.005 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.162 0.693 -1.577 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.763 -0.934 0.068 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.099 0.149 -0.721 1.00 0.53 C ATOM 0 H PHE A 74 4.095 -1.723 -3.709 1.00 0.22 H new ATOM 0 HA PHE A 74 2.973 -3.541 -1.695 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.459 -0.688 -1.083 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.929 -1.985 -0.002 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.172 0.583 -2.318 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.232 -2.318 0.612 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.421 1.542 -2.193 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.492 -1.361 0.740 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.092 0.569 -0.668 1.00 0.53 H new ATOM 1197 N ARG A 75 0.733 -3.287 -2.663 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.628 -3.166 -3.201 1.00 0.34 C ATOM 1199 C ARG A 75 -1.584 -2.741 -2.095 1.00 0.31 C ATOM 1200 O ARG A 75 -1.216 -2.765 -0.923 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.108 -4.482 -3.825 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.458 -5.726 -3.240 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.204 -6.988 -3.635 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.457 -7.785 -4.604 1.00 0.87 N ATOM 1205 CZ ARG A 75 -0.868 -8.962 -5.061 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.015 -9.475 -4.638 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.132 -9.624 -5.943 1.00 1.87 N ATOM 0 H ARG A 75 0.946 -4.198 -2.256 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.612 -2.409 -3.986 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.188 -4.557 -3.699 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.913 -4.454 -4.897 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.575 -5.792 -3.582 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.430 -5.645 -2.153 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.398 -7.587 -2.746 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.173 -6.720 -4.056 1.00 1.08 H new ATOM 0 HE ARG A 75 0.430 -7.417 -4.949 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.583 -8.965 -3.961 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.330 -10.379 -4.990 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.750 -9.229 -6.270 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.447 -10.528 -6.294 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.806 -2.343 -2.455 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.770 -1.912 -1.444 1.00 0.39 C ATOM 1223 C VAL A 76 -5.071 -2.710 -1.457 1.00 0.31 C ATOM 1224 O VAL A 76 -5.801 -2.737 -2.447 1.00 0.43 O ATOM 1225 CB VAL A 76 -4.123 -0.416 -1.570 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -5.002 0.014 -0.408 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.869 0.439 -1.627 1.00 0.54 C ATOM 0 H VAL A 76 -3.145 -2.310 -3.416 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.260 -2.096 -0.499 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.671 -0.273 -2.501 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.245 1.072 -0.508 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.922 -0.571 -0.411 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.471 -0.150 0.530 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -3.148 1.489 -1.716 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.288 0.294 -0.716 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -2.270 0.149 -2.490 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.354 -3.326 -0.315 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.556 -4.100 -0.098 1.00 0.31 C ATOM 1239 C ILE A 77 -7.296 -3.455 1.069 1.00 0.30 C ATOM 1240 O ILE A 77 -6.656 -2.965 2.000 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.219 -5.563 0.243 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.553 -6.255 -0.944 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.466 -6.312 0.661 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.812 -7.515 -0.557 1.00 0.42 C ATOM 0 H ILE A 77 -4.738 -3.297 0.498 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.166 -4.109 -1.001 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.518 -5.566 1.078 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.312 -6.501 -1.686 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.857 -5.562 -1.417 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.208 -7.344 0.898 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.899 -5.835 1.540 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.190 -6.297 -0.154 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.361 -7.959 -1.445 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.031 -7.271 0.163 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.509 -8.224 -0.110 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.622 -3.423 1.039 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.346 -2.787 2.139 1.00 0.30 C ATOM 1258 C ALA A 78 -10.827 -3.134 2.178 1.00 0.34 C ATOM 1259 O ALA A 78 -11.525 -3.038 1.171 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.181 -1.280 2.041 1.00 0.39 C ATOM 0 H ALA A 78 -9.203 -3.813 0.297 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.914 -3.171 3.063 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.719 -0.801 2.859 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.123 -1.025 2.104 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.582 -0.931 1.089 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.309 -3.504 3.365 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.723 -3.826 3.543 1.00 0.43 C ATOM 1268 C LYS A 79 -13.494 -2.537 3.738 1.00 0.59 C ATOM 1269 O LYS A 79 -13.414 -1.902 4.789 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.973 -4.764 4.732 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.925 -4.690 5.830 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.443 -5.284 7.127 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.326 -6.800 7.131 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.644 -7.459 6.920 1.00 1.98 N ATOM 0 H LYS A 79 -10.745 -3.587 4.211 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.061 -4.352 2.650 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.947 -4.532 5.162 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.023 -5.789 4.365 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.028 -5.223 5.516 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.638 -3.651 5.992 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -11.882 -4.872 7.966 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.485 -4.998 7.269 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -11.634 -7.113 6.349 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.903 -7.129 8.080 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.589 -8.451 7.226 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -14.372 -6.965 7.475 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.893 -7.421 5.911 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.224 -2.144 2.707 1.00 0.65 N ATOM 1289 CA ASN A 80 -14.996 -0.912 2.738 1.00 0.70 C ATOM 1290 C ASN A 80 -15.681 -0.675 4.093 1.00 0.87 C ATOM 1291 O ASN A 80 -15.078 -0.103 5.001 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.010 -0.889 1.597 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.440 -1.360 0.281 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.148 -1.965 -0.518 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -14.162 -1.089 0.047 1.00 2.05 N ATOM 0 H ASN A 80 -14.298 -2.664 1.833 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.294 -0.090 2.601 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.860 -1.518 1.863 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.390 0.126 1.478 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -13.729 -1.387 -0.827 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -13.613 -0.583 0.742 1.00 2.05 H new ATOM 1302 N ALA A 81 -16.931 -1.099 4.232 1.00 0.76 N ATOM 1303 CA ALA A 81 -17.659 -0.905 5.476 1.00 0.82 C ATOM 1304 C ALA A 81 -18.342 -2.189 5.934 1.00 0.88 C ATOM 1305 O ALA A 81 -18.337 -2.514 7.122 1.00 1.08 O ATOM 1306 CB ALA A 81 -18.685 0.207 5.300 1.00 0.83 C ATOM 0 H ALA A 81 -17.458 -1.577 3.501 1.00 0.76 H new ATOM 0 HA ALA A 81 -16.944 -0.622 6.248 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.229 0.351 6.233 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.176 1.132 5.031 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.385 -0.065 4.510 1.00 0.83 H new ATOM 1312 N ALA A 82 -18.934 -2.911 4.990 1.00 0.81 N ATOM 1313 CA ALA A 82 -19.627 -4.156 5.303 1.00 0.90 C ATOM 1314 C ALA A 82 -18.715 -5.369 5.139 1.00 0.88 C ATOM 1315 O ALA A 82 -19.175 -6.456 4.789 1.00 1.06 O ATOM 1316 CB ALA A 82 -20.862 -4.301 4.426 1.00 0.94 C ATOM 0 H ALA A 82 -18.948 -2.657 4.002 1.00 0.81 H new ATOM 0 HA ALA A 82 -19.931 -4.113 6.349 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.372 -5.233 4.667 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.535 -3.462 4.604 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.564 -4.311 3.377 1.00 0.94 H new ATOM 1322 N GLY A 83 -17.423 -5.183 5.394 1.00 0.82 N ATOM 1323 CA GLY A 83 -16.482 -6.280 5.265 1.00 0.86 C ATOM 1324 C GLY A 83 -16.107 -6.573 3.824 1.00 0.78 C ATOM 1325 O GLY A 83 -15.281 -7.446 3.563 1.00 0.93 O ATOM 0 H GLY A 83 -17.013 -4.296 5.686 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -15.579 -6.045 5.829 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -16.913 -7.176 5.712 1.00 0.86 H new ATOM 1329 N ALA A 84 -16.707 -5.843 2.883 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.415 -6.039 1.470 1.00 0.78 C ATOM 1331 C ALA A 84 -14.944 -5.774 1.195 1.00 0.76 C ATOM 1332 O ALA A 84 -14.561 -4.673 0.799 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.292 -5.134 0.619 1.00 0.92 C ATOM 0 H ALA A 84 -17.395 -5.115 3.076 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.633 -7.074 1.207 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.063 -5.291 -0.435 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.341 -5.368 0.801 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.102 -4.093 0.880 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.122 -6.788 1.421 1.00 0.50 N ATOM 1340 CA ILE A 85 -12.689 -6.669 1.214 1.00 0.40 C ATOM 1341 C ILE A 85 -12.351 -6.319 -0.227 1.00 0.38 C ATOM 1342 O ILE A 85 -12.515 -7.133 -1.135 1.00 0.48 O ATOM 1343 CB ILE A 85 -11.946 -7.962 1.608 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.436 -7.717 1.622 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.304 -9.097 0.655 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -9.834 -7.730 3.011 1.00 0.79 C ATOM 0 H ILE A 85 -14.426 -7.705 1.749 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.357 -5.857 1.861 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.257 -8.254 2.611 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -9.947 -8.479 1.016 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.228 -6.755 1.154 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.770 -10.001 0.949 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.378 -9.280 0.695 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.020 -8.822 -0.361 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -8.761 -7.550 2.944 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.296 -6.949 3.615 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.011 -8.700 3.475 1.00 0.79 H new ATOM 1358 N SER A 86 -11.865 -5.102 -0.425 1.00 0.39 N ATOM 1359 CA SER A 86 -11.485 -4.645 -1.749 1.00 0.45 C ATOM 1360 C SER A 86 -10.223 -5.381 -2.188 1.00 0.44 C ATOM 1361 O SER A 86 -9.182 -5.264 -1.534 1.00 0.43 O ATOM 1362 CB SER A 86 -11.243 -3.134 -1.743 1.00 0.54 C ATOM 1363 OG SER A 86 -9.903 -2.834 -1.397 1.00 0.59 O ATOM 0 H SER A 86 -11.725 -4.415 0.316 1.00 0.39 H new ATOM 0 HA SER A 86 -12.292 -4.857 -2.450 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.469 -2.722 -2.727 1.00 0.54 H new ATOM 0 HB3 SER A 86 -11.920 -2.657 -1.035 1.00 0.54 H new ATOM 0 HG SER A 86 -9.774 -1.863 -1.402 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.293 -6.161 -3.286 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.150 -6.924 -3.785 1.00 0.61 C ATOM 1371 C PRO A 87 -7.875 -6.091 -3.856 1.00 0.54 C ATOM 1372 O PRO A 87 -7.901 -4.880 -3.640 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.581 -7.384 -5.186 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.892 -6.721 -5.457 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.482 -6.372 -4.122 1.00 0.59 C ATOM 0 HA PRO A 87 -8.906 -7.752 -3.120 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.840 -7.101 -5.934 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.678 -8.469 -5.227 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.755 -5.827 -6.065 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.555 -7.386 -6.011 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.103 -5.478 -4.175 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.111 -7.174 -3.736 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.736 -6.738 -4.159 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.439 -6.060 -4.257 1.00 0.56 C ATOM 1385 C PRO A 88 -5.454 -4.918 -5.265 1.00 0.48 C ATOM 1386 O PRO A 88 -5.930 -5.076 -6.390 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.480 -7.171 -4.710 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.355 -8.260 -5.231 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.619 -8.180 -4.429 1.00 0.72 C ATOM 0 HA PRO A 88 -5.153 -5.597 -3.312 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.798 -6.812 -5.481 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.866 -7.523 -3.881 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.556 -8.127 -6.294 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.879 -9.234 -5.116 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.477 -8.559 -4.985 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.553 -8.761 -3.509 1.00 0.72 H new ATOM 1397 N SER A 89 -4.933 -3.764 -4.856 1.00 0.43 N ATOM 1398 CA SER A 89 -4.889 -2.596 -5.728 1.00 0.42 C ATOM 1399 C SER A 89 -3.471 -2.339 -6.234 1.00 0.35 C ATOM 1400 O SER A 89 -2.662 -1.734 -5.530 1.00 0.51 O ATOM 1401 CB SER A 89 -5.400 -1.358 -4.997 1.00 0.56 C ATOM 1402 OG SER A 89 -6.663 -1.600 -4.404 1.00 1.28 O ATOM 0 H SER A 89 -4.537 -3.614 -3.928 1.00 0.43 H new ATOM 0 HA SER A 89 -5.534 -2.801 -6.582 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.685 -1.065 -4.229 1.00 0.56 H new ATOM 0 HB3 SER A 89 -5.477 -0.525 -5.696 1.00 0.56 H new ATOM 0 HG SER A 89 -6.540 -1.870 -3.470 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.203 -2.806 -7.461 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.899 -2.659 -8.145 1.00 0.37 C ATOM 1410 C GLU A 90 -0.749 -2.260 -7.210 1.00 0.34 C ATOM 1411 O GLU A 90 -0.674 -1.121 -6.768 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.021 -1.623 -9.262 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.485 -2.209 -10.585 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.540 -1.886 -11.724 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.778 -0.904 -11.601 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -1.562 -2.614 -12.739 1.00 1.77 O ATOM 0 H GLU A 90 -3.894 -3.306 -8.020 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.651 -3.642 -8.544 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.721 -0.847 -8.952 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.054 -1.141 -9.407 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.576 -3.291 -10.488 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.478 -1.826 -10.821 1.00 0.90 H new ATOM 1423 N PRO A 91 0.162 -3.194 -6.894 1.00 0.30 N ATOM 1424 CA PRO A 91 1.300 -2.917 -6.004 1.00 0.29 C ATOM 1425 C PRO A 91 2.159 -1.729 -6.447 1.00 0.31 C ATOM 1426 O PRO A 91 2.645 -1.686 -7.577 1.00 0.55 O ATOM 1427 CB PRO A 91 2.119 -4.208 -6.068 1.00 0.36 C ATOM 1428 CG PRO A 91 1.132 -5.260 -6.432 1.00 0.36 C ATOM 1429 CD PRO A 91 0.160 -4.593 -7.364 1.00 0.39 C ATOM 0 HA PRO A 91 0.956 -2.644 -5.006 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.914 -4.137 -6.810 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.594 -4.424 -5.111 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.621 -6.106 -6.915 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.626 -5.646 -5.547 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.478 -4.671 -8.404 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.832 -5.039 -7.300 1.00 0.39 H new ATOM 1437 N SER A 92 2.355 -0.774 -5.533 1.00 0.27 N ATOM 1438 CA SER A 92 3.168 0.404 -5.805 1.00 0.31 C ATOM 1439 C SER A 92 4.541 -0.029 -6.275 1.00 0.27 C ATOM 1440 O SER A 92 5.047 -1.071 -5.839 1.00 0.24 O ATOM 1441 CB SER A 92 3.296 1.290 -4.546 1.00 0.39 C ATOM 1442 OG SER A 92 4.652 1.550 -4.213 1.00 1.23 O ATOM 0 H SER A 92 1.957 -0.799 -4.594 1.00 0.27 H new ATOM 0 HA SER A 92 2.682 0.991 -6.584 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.776 2.234 -4.713 1.00 0.39 H new ATOM 0 HB3 SER A 92 2.804 0.799 -3.706 1.00 0.39 H new ATOM 0 HG SER A 92 4.982 0.848 -3.615 1.00 1.23 H new ATOM 1448 N ASP A 93 5.134 0.782 -7.154 1.00 0.33 N ATOM 1449 CA ASP A 93 6.459 0.513 -7.707 1.00 0.36 C ATOM 1450 C ASP A 93 7.385 -0.110 -6.675 1.00 0.32 C ATOM 1451 O ASP A 93 7.342 0.234 -5.494 1.00 0.56 O ATOM 1452 CB ASP A 93 7.085 1.805 -8.239 1.00 0.45 C ATOM 1453 CG ASP A 93 7.136 1.856 -9.755 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.089 1.298 -10.336 1.00 1.55 O ATOM 1455 OD2 ASP A 93 6.222 2.455 -10.361 1.00 1.63 O ATOM 0 H ASP A 93 4.708 1.642 -7.501 1.00 0.33 H new ATOM 0 HA ASP A 93 6.331 -0.198 -8.523 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.514 2.658 -7.871 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.096 1.903 -7.843 1.00 0.45 H new ATOM 1460 N ALA A 94 8.222 -1.023 -7.131 1.00 0.33 N ATOM 1461 CA ALA A 94 9.159 -1.685 -6.247 1.00 0.28 C ATOM 1462 C ALA A 94 10.339 -0.765 -5.959 1.00 0.29 C ATOM 1463 O ALA A 94 11.158 -0.497 -6.838 1.00 0.41 O ATOM 1464 CB ALA A 94 9.638 -2.987 -6.860 1.00 0.34 C ATOM 0 H ALA A 94 8.271 -1.321 -8.105 1.00 0.33 H new ATOM 0 HA ALA A 94 8.655 -1.915 -5.308 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.341 -3.471 -6.182 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.786 -3.645 -7.029 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.132 -2.782 -7.810 1.00 0.34 H new ATOM 1470 N ILE A 95 10.417 -0.278 -4.728 1.00 0.25 N ATOM 1471 CA ILE A 95 11.491 0.621 -4.334 1.00 0.28 C ATOM 1472 C ILE A 95 12.676 -0.144 -3.758 1.00 0.26 C ATOM 1473 O ILE A 95 12.600 -0.687 -2.655 1.00 0.25 O ATOM 1474 CB ILE A 95 11.006 1.656 -3.298 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.806 2.434 -3.843 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.135 2.608 -2.930 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.468 1.856 -3.436 1.00 0.44 C ATOM 0 H ILE A 95 9.750 -0.491 -3.986 1.00 0.25 H new ATOM 0 HA ILE A 95 11.810 1.142 -5.237 1.00 0.28 H new ATOM 0 HB ILE A 95 10.694 1.126 -2.398 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.866 3.466 -3.497 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.865 2.459 -4.931 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.777 3.332 -2.198 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.964 2.042 -2.505 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.474 3.133 -3.823 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.666 2.461 -3.860 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.386 0.834 -3.806 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.387 1.856 -2.349 1.00 0.44 H new ATOM 1489 N THR A 96 13.776 -0.180 -4.509 1.00 0.29 N ATOM 1490 CA THR A 96 14.986 -0.873 -4.073 1.00 0.32 C ATOM 1491 C THR A 96 15.313 -0.530 -2.626 1.00 0.32 C ATOM 1492 O THR A 96 15.913 -1.328 -1.907 1.00 0.38 O ATOM 1493 CB THR A 96 16.165 -0.499 -4.973 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.915 -0.882 -6.314 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.469 -1.141 -4.548 1.00 0.43 C ATOM 0 H THR A 96 13.853 0.264 -5.424 1.00 0.29 H new ATOM 0 HA THR A 96 14.807 -1.946 -4.145 1.00 0.32 H new ATOM 0 HB THR A 96 16.264 0.583 -4.884 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.680 -0.633 -6.873 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.264 -0.835 -5.228 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.717 -0.825 -3.534 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.366 -2.226 -4.575 1.00 0.43 H new ATOM 1503 N CYS A 97 14.912 0.663 -2.202 1.00 0.32 N ATOM 1504 CA CYS A 97 15.163 1.103 -0.838 1.00 0.36 C ATOM 1505 C CYS A 97 16.642 0.958 -0.503 1.00 0.43 C ATOM 1506 O CYS A 97 17.048 -0.015 0.120 1.00 0.64 O ATOM 1507 CB CYS A 97 14.313 0.277 0.132 1.00 0.38 C ATOM 1508 SG CYS A 97 12.536 0.569 -0.019 1.00 1.10 S ATOM 0 H CYS A 97 14.414 1.339 -2.781 1.00 0.32 H new ATOM 0 HA CYS A 97 14.890 2.154 -0.744 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.513 -0.781 -0.036 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.623 0.502 1.153 1.00 0.38 H new ATOM 0 HG CYS A 97 12.114 0.098 -1.155 1.00 1.10 H new ATOM 1514 N ARG A 98 17.445 1.928 -0.934 1.00 0.53 N ATOM 1515 CA ARG A 98 18.888 1.895 -0.686 1.00 0.63 C ATOM 1516 C ARG A 98 19.361 3.141 0.051 1.00 0.80 C ATOM 1517 O ARG A 98 19.570 3.118 1.265 1.00 1.04 O ATOM 1518 CB ARG A 98 19.665 1.742 -2.003 1.00 0.68 C ATOM 1519 CG ARG A 98 18.885 2.154 -3.245 1.00 0.74 C ATOM 1520 CD ARG A 98 19.813 2.551 -4.379 1.00 0.92 C ATOM 1521 NE ARG A 98 20.876 1.571 -4.579 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.562 1.448 -5.709 1.00 2.31 C ATOM 1523 NH1 ARG A 98 21.298 2.240 -6.740 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.512 0.529 -5.812 1.00 2.68 N ATOM 0 H ARG A 98 17.125 2.744 -1.455 1.00 0.53 H new ATOM 0 HA ARG A 98 19.085 1.030 -0.053 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.575 2.339 -1.945 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.973 0.702 -2.110 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.248 1.330 -3.566 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.227 2.989 -3.003 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.238 2.656 -5.299 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.253 3.525 -4.165 1.00 0.92 H new ATOM 0 HE ARG A 98 21.105 0.945 -3.807 1.00 1.64 H new ATOM 0 HH11 ARG A 98 20.566 2.946 -6.666 1.00 3.00 H new ATOM 0 HH12 ARG A 98 21.827 2.143 -7.607 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.716 -0.084 -5.023 1.00 2.68 H new ATOM 0 HH22 ARG A 98 23.039 0.435 -6.680 1.00 2.68 H new ATOM 1538 N ASP A 99 19.531 4.224 -0.690 1.00 0.92 N ATOM 1539 CA ASP A 99 19.985 5.489 -0.115 1.00 1.20 C ATOM 1540 C ASP A 99 18.887 6.550 -0.165 1.00 1.03 C ATOM 1541 O ASP A 99 19.170 7.747 -0.126 1.00 1.20 O ATOM 1542 CB ASP A 99 21.221 5.994 -0.860 1.00 1.61 C ATOM 1543 CG ASP A 99 20.909 6.413 -2.283 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.084 7.334 -2.462 1.00 2.14 O ATOM 1545 OD2 ASP A 99 21.491 5.822 -3.217 1.00 2.08 O ATOM 0 H ASP A 99 19.362 4.257 -1.695 1.00 0.92 H new ATOM 0 HA ASP A 99 20.238 5.307 0.930 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.646 6.840 -0.320 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.979 5.211 -0.873 1.00 1.61 H new ATOM 1550 N ASP A 100 17.638 6.102 -0.259 1.00 0.85 N ATOM 1551 CA ASP A 100 16.490 7.002 -0.321 1.00 0.92 C ATOM 1552 C ASP A 100 16.661 8.061 -1.410 1.00 1.22 C ATOM 1553 O ASP A 100 16.024 9.113 -1.372 1.00 1.38 O ATOM 1554 CB ASP A 100 16.246 7.661 1.044 1.00 0.87 C ATOM 1555 CG ASP A 100 17.215 8.792 1.343 1.00 1.32 C ATOM 1556 OD1 ASP A 100 17.010 9.904 0.814 1.00 2.06 O ATOM 1557 OD2 ASP A 100 18.177 8.564 2.106 1.00 2.03 O ATOM 0 H ASP A 100 17.394 5.112 -0.294 1.00 0.85 H new ATOM 0 HA ASP A 100 15.616 6.404 -0.580 1.00 0.92 H new ATOM 0 HB2 ASP A 100 15.227 8.046 1.078 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.327 6.905 1.825 1.00 0.87 H new