USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 684 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 22 TYR OH : rot 174:sc= 0.46 USER MOD Set 1.2: A 102 HIS : no HE2:sc= -0.456 K(o=0.98,f=1.8) USER MOD Set 1.3: A 105 SER OG : rot -155:sc= 0.978 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 1 K(o=2.3,f=-4.5!) USER MOD Set 2.2: A 119 THR OG1 : rot 85:sc= 1.28 USER MOD Set 3.1: A 64 MET CE :methyl -167:sc=-0.00261 (180deg=-0.0986) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.18 K(o=1.2,f=-1.1) USER MOD Set 4.1: A 28 HIS : no HD1:sc= 1.01 K(o=2.3,f=-4.9!) USER MOD Set 4.2: A 40 SER OG : rot -115:sc= 1.33 USER MOD Set 5.1: A 21 LYS NZ :NH3+ -111:sc= 1.21 (180deg=0) USER MOD Set 5.2: A 53 HIS : no HD1:sc= 1.25 K(o=2.5,f=-11!) USER MOD Single : A 29 SER OG : rot 74:sc= 0.152 USER MOD Single : A 41 LYS NZ :NH3+ 147:sc= 2.03 (180deg=0.891) USER MOD Single : A 47 TYR OH : rot 172:sc= 1.22 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= 0.318 (180deg=0.083) USER MOD Single : A 61 SER OG : rot 152:sc= 1.4 USER MOD Single : A 65 GLN : amide:sc= 1.18 K(o=1.2,f=-0.00051) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 120:sc= -0.201 USER MOD Single : A 71 CYS SG : rot 70:sc= -1.77 USER MOD Single : A 73 CYS SG : rot 133:sc= 0.728 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.405 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 70:sc= 0.322 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 170:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 146:sc= 2.4 (180deg=0.554) USER MOD Single : A 110 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.136 -7.936 15.915 1.00 0.00 N ATOM 47 CA ALA A 4 -6.501 -8.368 14.674 1.00 0.00 C ATOM 48 C ALA A 4 -5.201 -9.138 14.942 1.00 0.00 C ATOM 49 O ALA A 4 -4.703 -9.199 16.068 1.00 0.00 O ATOM 50 CB ALA A 4 -6.241 -7.145 13.790 1.00 0.00 C ATOM 0 HA ALA A 4 -7.173 -9.053 14.157 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.767 -7.462 12.861 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.186 -6.651 13.565 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.585 -6.450 14.314 1.00 0.00 H new ATOM 56 N ASP A 5 -4.626 -9.677 13.869 1.00 0.00 N ATOM 57 CA ASP A 5 -3.296 -10.270 13.805 1.00 0.00 C ATOM 58 C ASP A 5 -2.776 -9.958 12.406 1.00 0.00 C ATOM 59 O ASP A 5 -3.564 -9.939 11.456 1.00 0.00 O ATOM 60 CB ASP A 5 -3.351 -11.786 14.026 1.00 0.00 C ATOM 61 CG ASP A 5 -1.960 -12.410 13.824 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.605 -12.739 12.672 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.214 -12.552 14.819 1.00 0.00 O ATOM 0 H ASP A 5 -5.106 -9.713 12.970 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.648 -9.867 14.583 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.709 -12.000 15.033 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.062 -12.235 13.332 1.00 0.00 H new ATOM 68 N LEU A 6 -1.475 -9.690 12.268 1.00 0.00 N ATOM 69 CA LEU A 6 -0.882 -9.196 11.030 1.00 0.00 C ATOM 70 C LEU A 6 -1.164 -10.101 9.830 1.00 0.00 C ATOM 71 O LEU A 6 -1.316 -9.588 8.718 1.00 0.00 O ATOM 72 CB LEU A 6 0.635 -9.018 11.207 1.00 0.00 C ATOM 73 CG LEU A 6 1.072 -7.966 12.247 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.599 -7.862 12.254 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.480 -6.581 11.966 1.00 0.00 C ATOM 0 H LEU A 6 -0.800 -9.812 13.023 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.349 -8.234 10.819 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.064 -9.980 11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.065 -8.748 10.242 1.00 0.00 H new ATOM 0 HG LEU A 6 0.699 -8.296 13.217 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.910 -7.119 12.988 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.028 -8.830 12.513 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.948 -7.563 11.266 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.819 -5.879 12.728 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.807 -6.238 10.985 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.608 -6.640 11.986 1.00 0.00 H new ATOM 87 N ALA A 7 -1.261 -11.420 10.024 1.00 0.00 N ATOM 88 CA ALA A 7 -1.511 -12.361 8.942 1.00 0.00 C ATOM 89 C ALA A 7 -2.911 -12.192 8.334 1.00 0.00 C ATOM 90 O ALA A 7 -3.120 -12.554 7.175 1.00 0.00 O ATOM 91 CB ALA A 7 -1.326 -13.795 9.448 1.00 0.00 C ATOM 0 H ALA A 7 -1.167 -11.860 10.939 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.790 -12.152 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.514 -14.495 8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.306 -13.925 9.809 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.026 -13.987 10.261 1.00 0.00 H new ATOM 97 N LEU A 8 -3.871 -11.664 9.101 1.00 0.00 N ATOM 98 CA LEU A 8 -5.261 -11.522 8.670 1.00 0.00 C ATOM 99 C LEU A 8 -5.451 -10.278 7.797 1.00 0.00 C ATOM 100 O LEU A 8 -6.411 -10.217 7.028 1.00 0.00 O ATOM 101 CB LEU A 8 -6.192 -11.415 9.895 1.00 0.00 C ATOM 102 CG LEU A 8 -6.143 -12.611 10.867 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.048 -12.336 12.073 1.00 0.00 C ATOM 104 CD2 LEU A 8 -6.570 -13.925 10.200 1.00 0.00 C ATOM 0 H LEU A 8 -3.701 -11.321 10.046 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.512 -12.407 8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.937 -10.510 10.446 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.217 -11.296 9.543 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.107 -12.724 11.187 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.010 -13.184 12.757 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.705 -11.439 12.588 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.073 -12.190 11.733 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.518 -14.736 10.927 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.592 -13.832 9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.904 -14.143 9.365 1.00 0.00 H new ATOM 116 N ILE A 9 -4.580 -9.275 7.938 1.00 0.00 N ATOM 117 CA ILE A 9 -4.769 -7.961 7.328 1.00 0.00 C ATOM 118 C ILE A 9 -4.573 -8.088 5.807 1.00 0.00 C ATOM 119 O ILE A 9 -3.543 -8.636 5.395 1.00 0.00 O ATOM 120 CB ILE A 9 -3.795 -6.927 7.941 1.00 0.00 C ATOM 121 CG1 ILE A 9 -3.898 -6.921 9.485 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.072 -5.523 7.376 1.00 0.00 C ATOM 123 CD1 ILE A 9 -2.917 -5.983 10.186 1.00 0.00 C ATOM 0 H ILE A 9 -3.721 -9.355 8.482 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.779 -7.604 7.527 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.779 -7.215 7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.913 -6.640 9.767 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.735 -7.935 9.851 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.377 -4.809 7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.941 -5.534 6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.094 -5.230 7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.062 -6.045 11.265 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.896 -6.274 9.940 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.092 -4.959 9.855 1.00 0.00 H new ATOM 135 N PRO A 10 -5.497 -7.555 4.980 1.00 0.00 N ATOM 136 CA PRO A 10 -5.347 -7.462 3.533 1.00 0.00 C ATOM 137 C PRO A 10 -3.984 -6.909 3.110 1.00 0.00 C ATOM 138 O PRO A 10 -3.622 -5.781 3.460 1.00 0.00 O ATOM 139 CB PRO A 10 -6.492 -6.565 3.058 1.00 0.00 C ATOM 140 CG PRO A 10 -7.591 -6.845 4.076 1.00 0.00 C ATOM 141 CD PRO A 10 -6.801 -7.029 5.370 1.00 0.00 C ATOM 0 HA PRO A 10 -5.391 -8.452 3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.205 -5.513 3.052 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.807 -6.815 2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.299 -6.019 4.146 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.164 -7.736 3.820 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.696 -6.082 5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.312 -7.717 6.044 1.00 0.00 H new ATOM 149 N ASP A 11 -3.249 -7.715 2.345 1.00 0.00 N ATOM 150 CA ASP A 11 -1.906 -7.421 1.848 1.00 0.00 C ATOM 151 C ASP A 11 -1.911 -6.252 0.855 1.00 0.00 C ATOM 152 O ASP A 11 -1.011 -5.411 0.864 1.00 0.00 O ATOM 153 CB ASP A 11 -1.381 -8.698 1.180 1.00 0.00 C ATOM 154 CG ASP A 11 0.055 -8.559 0.671 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.955 -8.295 1.498 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.292 -8.804 -0.531 1.00 0.00 O ATOM 0 H ASP A 11 -3.587 -8.628 2.042 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.262 -7.119 2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.430 -9.521 1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.033 -8.960 0.346 1.00 0.00 H new ATOM 161 N VAL A 12 -2.970 -6.160 0.046 1.00 0.00 N ATOM 162 CA VAL A 12 -3.210 -5.099 -0.922 1.00 0.00 C ATOM 163 C VAL A 12 -4.720 -4.845 -0.911 1.00 0.00 C ATOM 164 O VAL A 12 -5.505 -5.797 -0.882 1.00 0.00 O ATOM 165 CB VAL A 12 -2.747 -5.539 -2.333 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.923 -4.424 -3.378 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.288 -6.010 -2.390 1.00 0.00 C ATOM 0 H VAL A 12 -3.714 -6.857 0.052 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.654 -4.197 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.394 -6.384 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.585 -4.780 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.975 -4.146 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.334 -3.555 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.039 -6.301 -3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.631 -5.200 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.155 -6.864 -1.726 1.00 0.00 H new ATOM 177 N ASP A 13 -5.127 -3.578 -0.952 1.00 0.00 N ATOM 178 CA ASP A 13 -6.513 -3.168 -1.171 1.00 0.00 C ATOM 179 C ASP A 13 -6.456 -1.782 -1.802 1.00 0.00 C ATOM 180 O ASP A 13 -5.952 -0.849 -1.178 1.00 0.00 O ATOM 181 CB ASP A 13 -7.317 -3.142 0.135 1.00 0.00 C ATOM 182 CG ASP A 13 -8.693 -2.497 -0.092 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.468 -3.004 -0.934 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.009 -1.495 0.586 1.00 0.00 O ATOM 0 H ASP A 13 -4.489 -2.791 -0.831 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.022 -3.881 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.443 -4.157 0.512 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.769 -2.585 0.895 1.00 0.00 H new ATOM 189 N ILE A 14 -6.887 -1.654 -3.059 1.00 0.00 N ATOM 190 CA ILE A 14 -6.688 -0.444 -3.852 1.00 0.00 C ATOM 191 C ILE A 14 -7.920 -0.148 -4.716 1.00 0.00 C ATOM 192 O ILE A 14 -8.700 -1.050 -5.033 1.00 0.00 O ATOM 193 CB ILE A 14 -5.396 -0.554 -4.713 1.00 0.00 C ATOM 194 CG1 ILE A 14 -5.428 -1.751 -5.695 1.00 0.00 C ATOM 195 CG2 ILE A 14 -4.133 -0.605 -3.830 1.00 0.00 C ATOM 196 CD1 ILE A 14 -4.230 -1.809 -6.652 1.00 0.00 C ATOM 0 H ILE A 14 -7.386 -2.392 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.558 0.396 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.357 0.352 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.466 -2.677 -5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.346 -1.702 -6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.249 -0.682 -4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.072 0.303 -3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.184 -1.472 -3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.328 -2.676 -7.306 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.201 -0.901 -7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.308 -1.892 -6.076 1.00 0.00 H new ATOM 266 N PHE A 20 -3.438 7.472 -9.807 1.00 0.00 N ATOM 267 CA PHE A 20 -3.766 7.942 -8.465 1.00 0.00 C ATOM 268 C PHE A 20 -2.755 7.389 -7.462 1.00 0.00 C ATOM 269 O PHE A 20 -2.064 6.397 -7.725 1.00 0.00 O ATOM 270 CB PHE A 20 -5.193 7.524 -8.072 1.00 0.00 C ATOM 271 CG PHE A 20 -6.297 8.126 -8.923 1.00 0.00 C ATOM 272 CD1 PHE A 20 -6.576 9.505 -8.842 1.00 0.00 C ATOM 273 CD2 PHE A 20 -7.075 7.308 -9.764 1.00 0.00 C ATOM 274 CE1 PHE A 20 -7.617 10.061 -9.607 1.00 0.00 C ATOM 275 CE2 PHE A 20 -8.118 7.865 -10.527 1.00 0.00 C ATOM 276 CZ PHE A 20 -8.387 9.242 -10.452 1.00 0.00 C ATOM 0 HA PHE A 20 -3.719 9.031 -8.456 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.265 6.438 -8.126 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.364 7.803 -7.032 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.989 10.136 -8.191 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.871 6.249 -9.824 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.825 11.119 -9.545 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.712 7.233 -11.171 1.00 0.00 H new ATOM 0 HZ PHE A 20 -9.184 9.671 -11.042 1.00 0.00 H new ATOM 286 N LYS A 21 -2.654 8.078 -6.324 1.00 0.00 N ATOM 287 CA LYS A 21 -1.656 7.831 -5.293 1.00 0.00 C ATOM 288 C LYS A 21 -1.916 6.519 -4.555 1.00 0.00 C ATOM 289 O LYS A 21 -3.057 6.069 -4.428 1.00 0.00 O ATOM 290 CB LYS A 21 -1.690 8.995 -4.285 1.00 0.00 C ATOM 291 CG LYS A 21 -1.068 10.292 -4.828 1.00 0.00 C ATOM 292 CD LYS A 21 -1.227 11.427 -3.805 1.00 0.00 C ATOM 293 CE LYS A 21 -0.520 12.714 -4.258 1.00 0.00 C ATOM 294 NZ LYS A 21 0.751 12.967 -3.536 1.00 0.00 N ATOM 0 H LYS A 21 -3.285 8.845 -6.092 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.679 7.757 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.724 9.189 -4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.160 8.698 -3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.012 10.134 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.548 10.569 -5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.287 11.631 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.821 11.109 -2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.317 12.652 -5.327 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.190 13.561 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.640 13.795 -2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.995 12.135 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.510 13.148 -4.223 1.00 0.00 H new ATOM 308 N TYR A 22 -0.849 5.973 -3.977 1.00 0.00 N ATOM 309 CA TYR A 22 -0.843 4.855 -3.050 1.00 0.00 C ATOM 310 C TYR A 22 0.275 5.110 -2.017 1.00 0.00 C ATOM 311 O TYR A 22 1.189 5.901 -2.277 1.00 0.00 O ATOM 312 CB TYR A 22 -0.666 3.532 -3.833 1.00 0.00 C ATOM 313 CG TYR A 22 0.730 2.973 -3.740 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.765 3.537 -4.504 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.016 2.038 -2.730 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.098 3.228 -4.197 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.344 1.719 -2.423 1.00 0.00 C ATOM 318 CZ TYR A 22 3.387 2.345 -3.134 1.00 0.00 C ATOM 319 OH TYR A 22 4.674 2.117 -2.775 1.00 0.00 O ATOM 0 H TYR A 22 0.091 6.325 -4.158 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.787 4.764 -2.513 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.373 2.794 -3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.914 3.701 -4.881 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.536 4.204 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.209 1.565 -2.190 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.901 3.664 -4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.567 1.000 -1.649 1.00 0.00 H new ATOM 0 HH TYR A 22 4.695 1.562 -1.967 1.00 0.00 H new ATOM 329 N VAL A 23 0.236 4.433 -0.869 1.00 0.00 N ATOM 330 CA VAL A 23 1.282 4.453 0.151 1.00 0.00 C ATOM 331 C VAL A 23 1.659 3.021 0.524 1.00 0.00 C ATOM 332 O VAL A 23 0.833 2.101 0.462 1.00 0.00 O ATOM 333 CB VAL A 23 0.864 5.260 1.402 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.824 6.764 1.114 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.487 4.810 1.980 1.00 0.00 C ATOM 0 H VAL A 23 -0.551 3.836 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 23 2.152 4.959 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 23 1.630 5.058 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.526 7.299 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.812 7.101 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.105 6.963 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.727 5.413 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.265 4.938 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.428 3.760 2.267 1.00 0.00 H new ATOM 345 N LEU A 24 2.912 2.857 0.949 1.00 0.00 N ATOM 346 CA LEU A 24 3.437 1.626 1.516 1.00 0.00 C ATOM 347 C LEU A 24 3.408 1.865 3.019 1.00 0.00 C ATOM 348 O LEU A 24 4.042 2.814 3.487 1.00 0.00 O ATOM 349 CB LEU A 24 4.881 1.415 1.013 1.00 0.00 C ATOM 350 CG LEU A 24 5.446 -0.016 1.124 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.200 -0.697 2.473 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.883 -0.890 0.003 1.00 0.00 C ATOM 0 H LEU A 24 3.606 3.603 0.905 1.00 0.00 H new ATOM 0 HA LEU A 24 2.869 0.738 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.926 1.719 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.537 2.085 1.569 1.00 0.00 H new ATOM 0 HG LEU A 24 6.527 0.091 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.631 -1.698 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.666 -0.112 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.128 -0.767 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.288 -1.898 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.796 -0.927 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.163 -0.469 -0.962 1.00 0.00 H new ATOM 364 N ILE A 25 2.685 1.047 3.780 1.00 0.00 N ATOM 365 CA ILE A 25 2.555 1.226 5.222 1.00 0.00 C ATOM 366 C ILE A 25 3.048 -0.044 5.897 1.00 0.00 C ATOM 367 O ILE A 25 2.629 -1.147 5.549 1.00 0.00 O ATOM 368 CB ILE A 25 1.106 1.632 5.592 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.876 3.100 5.166 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.815 1.467 7.095 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.535 3.629 5.435 1.00 0.00 C ATOM 0 H ILE A 25 2.174 0.243 3.415 1.00 0.00 H new ATOM 0 HA ILE A 25 3.172 2.049 5.583 1.00 0.00 H new ATOM 0 HB ILE A 25 0.422 0.968 5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.593 3.733 5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.087 3.193 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.213 1.765 7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.955 0.424 7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.497 2.095 7.669 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.604 4.665 5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.260 3.025 4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.747 3.574 6.503 1.00 0.00 H new ATOM 383 N ARG A 26 3.973 0.122 6.840 1.00 0.00 N ATOM 384 CA ARG A 26 4.400 -0.926 7.748 1.00 0.00 C ATOM 385 C ARG A 26 3.366 -0.989 8.862 1.00 0.00 C ATOM 386 O ARG A 26 2.826 0.045 9.251 1.00 0.00 O ATOM 387 CB ARG A 26 5.792 -0.588 8.296 1.00 0.00 C ATOM 388 CG ARG A 26 6.305 -1.640 9.296 1.00 0.00 C ATOM 389 CD ARG A 26 7.826 -1.574 9.464 1.00 0.00 C ATOM 390 NE ARG A 26 8.492 -2.193 8.310 1.00 0.00 N ATOM 391 CZ ARG A 26 9.727 -1.978 7.855 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.538 -1.089 8.424 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.115 -2.691 6.808 1.00 0.00 N ATOM 0 H ARG A 26 4.453 1.009 6.993 1.00 0.00 H new ATOM 0 HA ARG A 26 4.471 -1.893 7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.495 -0.507 7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.760 0.386 8.784 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.826 -1.486 10.263 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.020 -2.635 8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.143 -0.536 9.562 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.120 -2.086 10.380 1.00 0.00 H new ATOM 0 HE ARG A 26 7.939 -2.874 7.790 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.220 -0.551 9.230 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.478 -0.946 8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.478 -3.368 6.387 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.051 -2.563 6.422 1.00 0.00 H new ATOM 407 N VAL A 27 3.148 -2.179 9.401 1.00 0.00 N ATOM 408 CA VAL A 27 2.182 -2.492 10.434 1.00 0.00 C ATOM 409 C VAL A 27 2.946 -3.338 11.458 1.00 0.00 C ATOM 410 O VAL A 27 3.800 -4.137 11.065 1.00 0.00 O ATOM 411 CB VAL A 27 0.998 -3.271 9.811 1.00 0.00 C ATOM 412 CG1 VAL A 27 -0.192 -3.300 10.774 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.498 -2.716 8.463 1.00 0.00 C ATOM 0 H VAL A 27 3.676 -3.001 9.108 1.00 0.00 H new ATOM 0 HA VAL A 27 1.759 -1.606 10.906 1.00 0.00 H new ATOM 0 HB VAL A 27 1.396 -4.269 9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.015 -3.852 10.319 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.103 -3.789 11.703 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.513 -2.280 10.987 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.332 -3.325 8.104 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.162 -1.687 8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.309 -2.743 7.735 1.00 0.00 H new ATOM 423 N HIS A 28 2.654 -3.191 12.749 1.00 0.00 N ATOM 424 CA HIS A 28 3.354 -3.869 13.840 1.00 0.00 C ATOM 425 C HIS A 28 2.339 -4.617 14.708 1.00 0.00 C ATOM 426 O HIS A 28 1.183 -4.190 14.795 1.00 0.00 O ATOM 427 CB HIS A 28 4.073 -2.827 14.710 1.00 0.00 C ATOM 428 CG HIS A 28 5.019 -1.922 13.962 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.234 -2.278 13.425 1.00 0.00 N ATOM 430 CD2 HIS A 28 4.860 -0.579 13.741 1.00 0.00 C ATOM 431 CE1 HIS A 28 6.802 -1.174 12.914 1.00 0.00 C ATOM 432 NE2 HIS A 28 5.997 -0.107 13.072 1.00 0.00 N ATOM 0 H HIS A 28 1.904 -2.581 13.074 1.00 0.00 H new ATOM 0 HA HIS A 28 4.077 -4.570 13.424 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.324 -2.213 15.210 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.630 -3.347 15.489 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.005 0.014 14.032 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.772 -1.146 12.441 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.178 0.849 12.767 1.00 0.00 H new ATOM 440 N SER A 29 2.776 -5.679 15.393 1.00 0.00 N ATOM 441 CA SER A 29 1.980 -6.499 16.312 1.00 0.00 C ATOM 442 C SER A 29 1.588 -5.780 17.624 1.00 0.00 C ATOM 443 O SER A 29 1.711 -6.338 18.714 1.00 0.00 O ATOM 444 CB SER A 29 2.721 -7.812 16.599 1.00 0.00 C ATOM 445 OG SER A 29 2.985 -8.514 15.399 1.00 0.00 O ATOM 0 H SER A 29 3.739 -6.005 15.318 1.00 0.00 H new ATOM 0 HA SER A 29 1.034 -6.705 15.811 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.657 -7.601 17.115 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.123 -8.434 17.265 1.00 0.00 H new ATOM 0 HG SER A 29 3.710 -8.069 14.912 1.00 0.00 H new ATOM 451 N ALA A 30 1.084 -4.547 17.536 1.00 0.00 N ATOM 452 CA ALA A 30 0.479 -3.830 18.650 1.00 0.00 C ATOM 453 C ALA A 30 -0.958 -4.250 19.074 1.00 0.00 C ATOM 454 O ALA A 30 -1.390 -3.675 20.075 1.00 0.00 O ATOM 455 CB ALA A 30 0.538 -2.327 18.347 1.00 0.00 C ATOM 0 H ALA A 30 1.087 -4.012 16.668 1.00 0.00 H new ATOM 0 HA ALA A 30 1.073 -4.105 19.522 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.089 -1.772 19.171 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.577 -2.021 18.227 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.010 -2.119 17.428 1.00 0.00 H new ATOM 461 N PRO A 31 -1.729 -5.162 18.418 1.00 0.00 N ATOM 462 CA PRO A 31 -3.069 -5.569 18.868 1.00 0.00 C ATOM 463 C PRO A 31 -3.211 -5.828 20.374 1.00 0.00 C ATOM 464 O PRO A 31 -2.249 -6.163 21.070 1.00 0.00 O ATOM 465 CB PRO A 31 -3.434 -6.802 18.042 1.00 0.00 C ATOM 466 CG PRO A 31 -2.788 -6.473 16.705 1.00 0.00 C ATOM 467 CD PRO A 31 -1.476 -5.837 17.148 1.00 0.00 C ATOM 0 HA PRO A 31 -3.757 -4.739 18.708 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.035 -7.719 18.476 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.513 -6.933 17.955 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.627 -7.363 16.097 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.396 -5.789 16.113 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.701 -6.595 17.263 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.120 -5.128 16.400 1.00 0.00 H new ATOM 561 N GLU A 39 6.293 -8.912 15.832 1.00 0.00 N ATOM 562 CA GLU A 39 6.561 -8.946 14.405 1.00 0.00 C ATOM 563 C GLU A 39 6.079 -7.639 13.750 1.00 0.00 C ATOM 564 O GLU A 39 5.413 -6.803 14.379 1.00 0.00 O ATOM 565 CB GLU A 39 5.879 -10.177 13.773 1.00 0.00 C ATOM 566 CG GLU A 39 6.343 -11.527 14.348 1.00 0.00 C ATOM 567 CD GLU A 39 7.853 -11.770 14.170 1.00 0.00 C ATOM 568 OE1 GLU A 39 8.315 -11.962 13.022 1.00 0.00 O ATOM 569 OE2 GLU A 39 8.594 -11.801 15.179 1.00 0.00 O ATOM 0 HA GLU A 39 7.635 -9.031 14.237 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.801 -10.089 13.909 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.067 -10.170 12.699 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.097 -11.568 15.409 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.791 -12.332 13.862 1.00 0.00 H new ATOM 576 N SER A 40 6.388 -7.497 12.460 1.00 0.00 N ATOM 577 CA SER A 40 5.906 -6.426 11.603 1.00 0.00 C ATOM 578 C SER A 40 5.591 -7.006 10.217 1.00 0.00 C ATOM 579 O SER A 40 6.050 -8.096 9.862 1.00 0.00 O ATOM 580 CB SER A 40 6.935 -5.290 11.508 1.00 0.00 C ATOM 581 OG SER A 40 7.369 -4.838 12.783 1.00 0.00 O ATOM 0 H SER A 40 7.002 -8.149 11.972 1.00 0.00 H new ATOM 0 HA SER A 40 4.999 -5.999 12.031 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.797 -5.632 10.935 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.499 -4.455 10.960 1.00 0.00 H new ATOM 0 HG SER A 40 7.087 -3.908 12.914 1.00 0.00 H new ATOM 587 N LYS A 41 4.779 -6.282 9.451 1.00 0.00 N ATOM 588 CA LYS A 41 4.208 -6.657 8.158 1.00 0.00 C ATOM 589 C LYS A 41 4.065 -5.359 7.359 1.00 0.00 C ATOM 590 O LYS A 41 4.231 -4.275 7.919 1.00 0.00 O ATOM 591 CB LYS A 41 2.876 -7.386 8.444 1.00 0.00 C ATOM 592 CG LYS A 41 2.017 -7.856 7.251 1.00 0.00 C ATOM 593 CD LYS A 41 0.725 -7.027 7.139 1.00 0.00 C ATOM 594 CE LYS A 41 -0.196 -7.426 5.973 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.730 -8.810 6.073 1.00 0.00 N ATOM 0 H LYS A 41 4.480 -5.350 9.738 1.00 0.00 H new ATOM 0 HA LYS A 41 4.818 -7.340 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.102 -8.261 9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.261 -6.724 9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.591 -7.768 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.767 -8.910 7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.168 -7.119 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.992 -5.976 7.030 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.031 -6.727 5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.355 -7.326 5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.684 -8.844 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.106 -9.461 5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.774 -9.094 7.073 1.00 0.00 H new ATOM 609 N GLU A 42 3.753 -5.424 6.071 1.00 0.00 N ATOM 610 CA GLU A 42 3.561 -4.251 5.228 1.00 0.00 C ATOM 611 C GLU A 42 2.277 -4.443 4.425 1.00 0.00 C ATOM 612 O GLU A 42 1.895 -5.583 4.145 1.00 0.00 O ATOM 613 CB GLU A 42 4.760 -4.046 4.283 1.00 0.00 C ATOM 614 CG GLU A 42 6.056 -3.536 4.939 1.00 0.00 C ATOM 615 CD GLU A 42 6.906 -4.588 5.681 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.793 -5.808 5.423 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.761 -4.165 6.493 1.00 0.00 O ATOM 0 H GLU A 42 3.624 -6.306 5.575 1.00 0.00 H new ATOM 0 HA GLU A 42 3.484 -3.362 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.975 -4.994 3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.468 -3.341 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.674 -3.080 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.795 -2.747 5.645 1.00 0.00 H new ATOM 624 N ILE A 43 1.644 -3.343 4.020 1.00 0.00 N ATOM 625 CA ILE A 43 0.424 -3.308 3.221 1.00 0.00 C ATOM 626 C ILE A 43 0.550 -2.221 2.151 1.00 0.00 C ATOM 627 O ILE A 43 1.308 -1.257 2.309 1.00 0.00 O ATOM 628 CB ILE A 43 -0.833 -3.092 4.106 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.764 -1.805 4.962 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.070 -4.332 4.980 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.023 -1.513 5.791 1.00 0.00 C ATOM 0 H ILE A 43 1.985 -2.410 4.252 1.00 0.00 H new ATOM 0 HA ILE A 43 0.297 -4.273 2.731 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.682 -2.953 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.089 -1.880 5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.575 -0.957 4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.953 -4.177 5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.223 -5.203 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.203 -4.498 5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.881 -0.592 6.357 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.879 -1.401 5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.204 -2.338 6.480 1.00 0.00 H new ATOM 643 N VAL A 44 -0.223 -2.377 1.077 1.00 0.00 N ATOM 644 CA VAL A 44 -0.283 -1.471 -0.063 1.00 0.00 C ATOM 645 C VAL A 44 -1.723 -0.966 -0.107 1.00 0.00 C ATOM 646 O VAL A 44 -2.643 -1.776 -0.250 1.00 0.00 O ATOM 647 CB VAL A 44 0.086 -2.255 -1.343 1.00 0.00 C ATOM 648 CG1 VAL A 44 -0.004 -1.417 -2.624 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.497 -2.856 -1.277 1.00 0.00 C ATOM 0 H VAL A 44 -0.851 -3.174 0.976 1.00 0.00 H new ATOM 0 HA VAL A 44 0.412 -0.635 0.015 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.660 -3.049 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.269 -2.032 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.023 -1.052 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.679 -0.570 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.706 -3.396 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.227 -2.057 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.561 -3.543 -0.433 1.00 0.00 H new ATOM 659 N ARG A 45 -1.932 0.349 0.020 1.00 0.00 N ATOM 660 CA ARG A 45 -3.257 0.970 -0.066 1.00 0.00 C ATOM 661 C ARG A 45 -3.141 2.200 -0.948 1.00 0.00 C ATOM 662 O ARG A 45 -2.127 2.893 -0.886 1.00 0.00 O ATOM 663 CB ARG A 45 -3.786 1.367 1.329 1.00 0.00 C ATOM 664 CG ARG A 45 -3.915 0.230 2.358 1.00 0.00 C ATOM 665 CD ARG A 45 -4.839 -0.914 1.925 1.00 0.00 C ATOM 666 NE ARG A 45 -4.650 -2.121 2.751 1.00 0.00 N ATOM 667 CZ ARG A 45 -5.277 -2.399 3.900 1.00 0.00 C ATOM 668 NH1 ARG A 45 -6.168 -1.549 4.408 1.00 0.00 N ATOM 669 NH2 ARG A 45 -5.000 -3.531 4.540 1.00 0.00 N ATOM 0 H ARG A 45 -1.180 1.017 0.187 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.964 0.256 -0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.124 2.129 1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.765 1.829 1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.924 -0.176 2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.285 0.645 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.877 -0.587 1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.649 -1.157 0.880 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.977 -2.810 2.414 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.377 -0.678 3.921 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.641 -1.769 5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.314 -4.180 4.155 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.474 -3.750 5.416 1.00 0.00 H new ATOM 683 N GLY A 46 -4.156 2.492 -1.754 1.00 0.00 N ATOM 684 CA GLY A 46 -4.149 3.617 -2.674 1.00 0.00 C ATOM 685 C GLY A 46 -5.455 3.651 -3.430 1.00 0.00 C ATOM 686 O GLY A 46 -5.957 2.601 -3.833 1.00 0.00 O ATOM 0 H GLY A 46 -5.017 1.945 -1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.008 4.549 -2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.315 3.527 -3.370 1.00 0.00 H new ATOM 690 N TYR A 47 -6.037 4.838 -3.574 1.00 0.00 N ATOM 691 CA TYR A 47 -7.393 4.965 -4.087 1.00 0.00 C ATOM 692 C TYR A 47 -7.565 6.337 -4.718 1.00 0.00 C ATOM 693 O TYR A 47 -6.931 7.304 -4.288 1.00 0.00 O ATOM 694 CB TYR A 47 -8.426 4.806 -2.954 1.00 0.00 C ATOM 695 CG TYR A 47 -8.200 3.677 -1.958 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.338 3.892 -0.867 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.883 2.450 -2.066 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.184 2.914 0.128 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.717 1.453 -1.088 1.00 0.00 C ATOM 700 CZ TYR A 47 -7.879 1.689 0.026 1.00 0.00 C ATOM 701 OH TYR A 47 -7.767 0.773 1.025 1.00 0.00 O ATOM 0 H TYR A 47 -5.589 5.724 -3.342 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.556 4.181 -4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.465 5.743 -2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.406 4.664 -3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.789 4.819 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.539 2.273 -2.906 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.534 3.098 0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.229 0.508 -1.188 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.401 0.042 0.871 1.00 0.00 H new ATOM 711 N LYS A 48 -8.483 6.441 -5.682 1.00 0.00 N ATOM 712 CA LYS A 48 -8.785 7.695 -6.369 1.00 0.00 C ATOM 713 C LYS A 48 -9.163 8.846 -5.431 1.00 0.00 C ATOM 714 O LYS A 48 -8.900 10.000 -5.769 1.00 0.00 O ATOM 715 CB LYS A 48 -9.842 7.447 -7.459 1.00 0.00 C ATOM 716 CG LYS A 48 -11.236 7.082 -6.917 1.00 0.00 C ATOM 717 CD LYS A 48 -12.133 6.560 -8.050 1.00 0.00 C ATOM 718 CE LYS A 48 -13.602 6.374 -7.638 1.00 0.00 C ATOM 719 NZ LYS A 48 -13.780 5.443 -6.498 1.00 0.00 N ATOM 0 H LYS A 48 -9.040 5.651 -6.008 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.864 8.035 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.928 8.341 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.496 6.643 -8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.143 6.324 -6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.694 7.957 -6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.085 7.254 -8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.740 5.606 -8.403 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.023 7.344 -7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.167 6.002 -8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.792 5.362 -6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.406 4.507 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.267 5.807 -5.670 1.00 0.00 H new ATOM 733 N TRP A 49 -9.763 8.564 -4.267 1.00 0.00 N ATOM 734 CA TRP A 49 -10.166 9.609 -3.329 1.00 0.00 C ATOM 735 C TRP A 49 -8.980 10.243 -2.586 1.00 0.00 C ATOM 736 O TRP A 49 -9.115 11.378 -2.123 1.00 0.00 O ATOM 737 CB TRP A 49 -11.258 9.096 -2.372 1.00 0.00 C ATOM 738 CG TRP A 49 -11.113 7.721 -1.778 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.863 6.647 -2.116 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.229 7.252 -0.711 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.512 5.560 -1.342 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.510 5.876 -0.450 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.215 7.845 0.067 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.813 5.133 0.516 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.476 7.099 1.003 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.761 5.741 1.224 1.00 0.00 C ATOM 0 H TRP A 49 -9.979 7.617 -3.956 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.597 10.418 -3.918 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.335 9.805 -1.548 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.207 9.126 -2.907 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.626 6.641 -2.881 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.941 4.638 -1.420 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.000 8.896 -0.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.082 4.106 0.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.681 7.575 1.558 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.178 5.170 1.931 1.00 0.00 H new ATOM 757 N ALA A 50 -7.826 9.571 -2.466 1.00 0.00 N ATOM 758 CA ALA A 50 -6.663 10.130 -1.788 1.00 0.00 C ATOM 759 C ALA A 50 -5.898 11.056 -2.736 1.00 0.00 C ATOM 760 O ALA A 50 -4.926 10.656 -3.378 1.00 0.00 O ATOM 761 CB ALA A 50 -5.772 9.035 -1.210 1.00 0.00 C ATOM 0 H ALA A 50 -7.680 8.632 -2.836 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.006 10.725 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.915 9.488 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.340 8.446 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.423 8.387 -2.014 1.00 0.00 H new ATOM 767 N GLU A 51 -6.350 12.305 -2.830 1.00 0.00 N ATOM 768 CA GLU A 51 -5.702 13.351 -3.619 1.00 0.00 C ATOM 769 C GLU A 51 -4.295 13.694 -3.081 1.00 0.00 C ATOM 770 O GLU A 51 -3.474 14.247 -3.815 1.00 0.00 O ATOM 771 CB GLU A 51 -6.644 14.569 -3.648 1.00 0.00 C ATOM 772 CG GLU A 51 -6.185 15.690 -4.590 1.00 0.00 C ATOM 773 CD GLU A 51 -7.261 16.781 -4.736 1.00 0.00 C ATOM 774 OE1 GLU A 51 -7.281 17.738 -3.928 1.00 0.00 O ATOM 775 OE2 GLU A 51 -8.087 16.708 -5.674 1.00 0.00 O ATOM 0 H GLU A 51 -7.192 12.624 -2.351 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.533 13.003 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.638 14.239 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.734 14.970 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.265 16.133 -4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.954 15.272 -5.570 1.00 0.00 H new ATOM 782 N TYR A 52 -3.985 13.333 -1.830 1.00 0.00 N ATOM 783 CA TYR A 52 -2.701 13.558 -1.170 1.00 0.00 C ATOM 784 C TYR A 52 -2.334 12.297 -0.385 1.00 0.00 C ATOM 785 O TYR A 52 -3.225 11.593 0.103 1.00 0.00 O ATOM 786 CB TYR A 52 -2.728 14.814 -0.281 1.00 0.00 C ATOM 787 CG TYR A 52 -4.061 15.181 0.342 1.00 0.00 C ATOM 788 CD1 TYR A 52 -5.000 15.889 -0.427 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.353 14.847 1.676 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.241 16.251 0.124 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.590 15.209 2.240 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.543 15.911 1.463 1.00 0.00 C ATOM 793 OH TYR A 52 -7.747 16.270 1.992 1.00 0.00 O ATOM 0 H TYR A 52 -4.654 12.855 -1.227 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.932 13.748 -1.919 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.004 14.678 0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.387 15.660 -0.878 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.767 16.156 -1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.626 14.312 2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.963 16.788 -0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.813 14.952 3.265 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.801 15.962 2.921 1.00 0.00 H new ATOM 803 N HIS A 53 -1.044 11.977 -0.278 1.00 0.00 N ATOM 804 CA HIS A 53 -0.576 10.751 0.364 1.00 0.00 C ATOM 805 C HIS A 53 -0.913 10.755 1.852 1.00 0.00 C ATOM 806 O HIS A 53 -1.253 9.700 2.397 1.00 0.00 O ATOM 807 CB HIS A 53 0.934 10.560 0.159 1.00 0.00 C ATOM 808 CG HIS A 53 1.318 10.125 -1.232 1.00 0.00 C ATOM 809 ND1 HIS A 53 2.132 10.817 -2.137 1.00 0.00 N ATOM 810 CD2 HIS A 53 0.989 8.927 -1.786 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.304 10.004 -3.188 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.609 8.876 -3.006 1.00 0.00 N ATOM 0 H HIS A 53 -0.292 12.565 -0.637 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.092 9.914 -0.106 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.442 11.497 0.388 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.295 9.819 0.872 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.361 8.165 -1.349 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.912 10.226 -4.052 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.550 8.103 -3.669 1.00 0.00 H new ATOM 820 N ALA A 54 -0.897 11.923 2.503 1.00 0.00 N ATOM 821 CA ALA A 54 -1.349 12.042 3.883 1.00 0.00 C ATOM 822 C ALA A 54 -2.787 11.540 4.089 1.00 0.00 C ATOM 823 O ALA A 54 -3.110 11.132 5.204 1.00 0.00 O ATOM 824 CB ALA A 54 -1.214 13.488 4.369 1.00 0.00 C ATOM 0 H ALA A 54 -0.574 12.798 2.091 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.703 11.398 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.556 13.558 5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.170 13.795 4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.820 14.141 3.741 1.00 0.00 H new ATOM 830 N ASP A 55 -3.648 11.550 3.061 1.00 0.00 N ATOM 831 CA ASP A 55 -5.046 11.146 3.220 1.00 0.00 C ATOM 832 C ASP A 55 -5.142 9.652 3.516 1.00 0.00 C ATOM 833 O ASP A 55 -5.758 9.247 4.503 1.00 0.00 O ATOM 834 CB ASP A 55 -5.874 11.452 1.966 1.00 0.00 C ATOM 835 CG ASP A 55 -7.370 11.378 2.305 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.881 12.286 3.000 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.039 10.421 1.868 1.00 0.00 O ATOM 0 H ASP A 55 -3.398 11.833 2.114 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.448 11.720 4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.625 12.443 1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.634 10.739 1.177 1.00 0.00 H new ATOM 842 N ILE A 56 -4.478 8.834 2.689 1.00 0.00 N ATOM 843 CA ILE A 56 -4.413 7.392 2.891 1.00 0.00 C ATOM 844 C ILE A 56 -3.601 7.078 4.139 1.00 0.00 C ATOM 845 O ILE A 56 -3.981 6.156 4.855 1.00 0.00 O ATOM 846 CB ILE A 56 -3.875 6.597 1.668 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.965 7.389 0.694 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.048 5.879 0.986 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.750 6.738 -0.680 1.00 0.00 C ATOM 0 H ILE A 56 -3.973 9.159 1.864 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.442 7.057 3.020 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.174 5.855 2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.395 8.379 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.993 7.532 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.681 5.318 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.516 5.194 1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.781 6.614 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.100 7.371 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.287 5.760 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.711 6.621 -1.181 1.00 0.00 H new ATOM 861 N TYR A 57 -2.526 7.820 4.434 1.00 0.00 N ATOM 862 CA TYR A 57 -1.766 7.548 5.645 1.00 0.00 C ATOM 863 C TYR A 57 -2.653 7.712 6.881 1.00 0.00 C ATOM 864 O TYR A 57 -2.715 6.800 7.704 1.00 0.00 O ATOM 865 CB TYR A 57 -0.504 8.413 5.733 1.00 0.00 C ATOM 866 CG TYR A 57 0.267 8.179 7.021 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.675 6.876 7.371 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.515 9.245 7.906 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.317 6.631 8.596 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.163 9.012 9.132 1.00 0.00 C ATOM 871 CZ TYR A 57 1.560 7.702 9.489 1.00 0.00 C ATOM 872 OH TYR A 57 2.145 7.487 10.701 1.00 0.00 O ATOM 0 H TYR A 57 -2.176 8.590 3.865 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.430 6.512 5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.142 8.198 4.882 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.782 9.465 5.664 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.492 6.058 6.690 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.206 10.246 7.642 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.624 5.629 8.856 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.358 9.835 9.803 1.00 0.00 H new ATOM 0 HH TYR A 57 2.233 8.339 11.177 1.00 0.00 H new ATOM 882 N ASP A 58 -3.383 8.826 6.995 1.00 0.00 N ATOM 883 CA ASP A 58 -4.250 9.072 8.142 1.00 0.00 C ATOM 884 C ASP A 58 -5.369 8.032 8.226 1.00 0.00 C ATOM 885 O ASP A 58 -5.592 7.452 9.289 1.00 0.00 O ATOM 886 CB ASP A 58 -4.848 10.479 8.077 1.00 0.00 C ATOM 887 CG ASP A 58 -5.805 10.710 9.258 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.328 10.920 10.395 1.00 0.00 O ATOM 889 OD2 ASP A 58 -7.039 10.706 9.052 1.00 0.00 O ATOM 0 H ASP A 58 -3.387 9.573 6.300 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.638 8.990 9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.050 11.221 8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.383 10.611 7.136 1.00 0.00 H new ATOM 894 N LYS A 59 -6.045 7.756 7.104 1.00 0.00 N ATOM 895 CA LYS A 59 -7.144 6.795 7.050 1.00 0.00 C ATOM 896 C LYS A 59 -6.672 5.401 7.437 1.00 0.00 C ATOM 897 O LYS A 59 -7.265 4.783 8.321 1.00 0.00 O ATOM 898 CB LYS A 59 -7.764 6.831 5.645 1.00 0.00 C ATOM 899 CG LYS A 59 -8.793 5.712 5.399 1.00 0.00 C ATOM 900 CD LYS A 59 -9.923 6.233 4.504 1.00 0.00 C ATOM 901 CE LYS A 59 -10.853 5.094 4.066 1.00 0.00 C ATOM 902 NZ LYS A 59 -11.922 5.573 3.154 1.00 0.00 N ATOM 0 H LYS A 59 -5.841 8.197 6.207 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.910 7.068 7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.246 7.797 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.969 6.752 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.308 4.857 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.200 5.364 6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.497 6.989 5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.500 6.719 3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.270 4.320 3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.305 4.635 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.747 4.943 3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.200 6.539 3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.570 5.573 2.176 1.00 0.00 H new ATOM 916 N VAL A 60 -5.630 4.891 6.785 1.00 0.00 N ATOM 917 CA VAL A 60 -5.225 3.510 6.965 1.00 0.00 C ATOM 918 C VAL A 60 -4.593 3.346 8.342 1.00 0.00 C ATOM 919 O VAL A 60 -4.962 2.404 9.035 1.00 0.00 O ATOM 920 CB VAL A 60 -4.302 3.060 5.821 1.00 0.00 C ATOM 921 CG1 VAL A 60 -3.809 1.622 6.055 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.038 3.124 4.471 1.00 0.00 C ATOM 0 H VAL A 60 -5.054 5.418 6.128 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.096 2.857 6.923 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.448 3.737 5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.157 1.323 5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.256 1.575 6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.664 0.948 6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.367 2.801 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.908 2.468 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.361 4.148 4.281 1.00 0.00 H new ATOM 932 N SER A 61 -3.706 4.240 8.787 1.00 0.00 N ATOM 933 CA SER A 61 -3.148 4.122 10.127 1.00 0.00 C ATOM 934 C SER A 61 -4.246 4.251 11.183 1.00 0.00 C ATOM 935 O SER A 61 -4.184 3.546 12.186 1.00 0.00 O ATOM 936 CB SER A 61 -2.030 5.140 10.334 1.00 0.00 C ATOM 937 OG SER A 61 -0.999 4.864 9.407 1.00 0.00 O ATOM 0 H SER A 61 -3.367 5.037 8.248 1.00 0.00 H new ATOM 0 HA SER A 61 -2.709 3.131 10.239 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.408 6.152 10.191 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.649 5.083 11.354 1.00 0.00 H new ATOM 0 HG SER A 61 -0.517 5.691 9.198 1.00 0.00 H new ATOM 943 N GLY A 62 -5.281 5.065 10.945 1.00 0.00 N ATOM 944 CA GLY A 62 -6.454 5.129 11.802 1.00 0.00 C ATOM 945 C GLY A 62 -7.175 3.785 11.855 1.00 0.00 C ATOM 946 O GLY A 62 -7.483 3.302 12.942 1.00 0.00 O ATOM 0 H GLY A 62 -5.321 5.698 10.146 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.156 5.425 12.808 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.135 5.896 11.433 1.00 0.00 H new ATOM 950 N ASP A 63 -7.422 3.146 10.709 1.00 0.00 N ATOM 951 CA ASP A 63 -8.077 1.840 10.659 1.00 0.00 C ATOM 952 C ASP A 63 -7.240 0.771 11.357 1.00 0.00 C ATOM 953 O ASP A 63 -7.760 0.041 12.197 1.00 0.00 O ATOM 954 CB ASP A 63 -8.383 1.417 9.222 1.00 0.00 C ATOM 955 CG ASP A 63 -9.146 0.083 9.228 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.393 0.105 9.335 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.506 -0.985 9.118 1.00 0.00 O ATOM 0 H ASP A 63 -7.174 3.519 9.793 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.023 1.939 11.192 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.976 2.184 8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.456 1.315 8.657 1.00 0.00 H new ATOM 962 N MET A 64 -5.936 0.723 11.082 1.00 0.00 N ATOM 963 CA MET A 64 -5.005 -0.179 11.751 1.00 0.00 C ATOM 964 C MET A 64 -5.032 0.040 13.263 1.00 0.00 C ATOM 965 O MET A 64 -5.143 -0.928 14.011 1.00 0.00 O ATOM 966 CB MET A 64 -3.595 0.034 11.188 1.00 0.00 C ATOM 967 CG MET A 64 -3.476 -0.381 9.712 1.00 0.00 C ATOM 968 SD MET A 64 -3.611 -2.157 9.406 1.00 0.00 S ATOM 969 CE MET A 64 -5.287 -2.175 8.729 1.00 0.00 C ATOM 0 H MET A 64 -5.494 1.317 10.380 1.00 0.00 H new ATOM 0 HA MET A 64 -5.307 -1.209 11.564 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.323 1.085 11.289 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.881 -0.538 11.781 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.252 0.131 9.142 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.517 -0.033 9.328 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.652 -3.201 8.688 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.943 -1.582 9.366 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.278 -1.753 7.724 1.00 0.00 H new ATOM 979 N GLN A 65 -4.995 1.289 13.726 1.00 0.00 N ATOM 980 CA GLN A 65 -5.068 1.631 15.139 1.00 0.00 C ATOM 981 C GLN A 65 -6.411 1.222 15.752 1.00 0.00 C ATOM 982 O GLN A 65 -6.428 0.746 16.888 1.00 0.00 O ATOM 983 CB GLN A 65 -4.783 3.133 15.299 1.00 0.00 C ATOM 984 CG GLN A 65 -3.285 3.481 15.177 1.00 0.00 C ATOM 985 CD GLN A 65 -2.601 3.541 16.545 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.514 4.598 17.166 1.00 0.00 O ATOM 987 NE2 GLN A 65 -2.119 2.424 17.063 1.00 0.00 N ATOM 0 H GLN A 65 -4.912 2.103 13.116 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.312 1.071 15.689 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.341 3.685 14.543 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.149 3.465 16.271 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.789 2.736 14.555 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.175 4.441 14.673 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.193 1.548 16.545 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.673 2.438 17.980 1.00 0.00 H new ATOM 996 N LYS A 66 -7.524 1.330 15.018 1.00 0.00 N ATOM 997 CA LYS A 66 -8.821 0.823 15.472 1.00 0.00 C ATOM 998 C LYS A 66 -8.811 -0.707 15.557 1.00 0.00 C ATOM 999 O LYS A 66 -9.384 -1.250 16.503 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.954 1.345 14.569 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.246 2.832 14.851 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.333 3.436 13.948 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.881 3.590 12.486 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.921 4.239 11.647 1.00 0.00 N ATOM 0 H LYS A 66 -7.550 1.769 14.098 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.008 1.198 16.478 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.678 1.217 13.522 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.856 0.756 14.734 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.550 2.941 15.892 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.326 3.403 14.726 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.220 2.804 13.984 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.621 4.412 14.338 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.966 4.181 12.450 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.644 2.609 12.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.576 4.323 10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.787 3.663 11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.130 5.186 12.023 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.142 -1.410 14.634 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.934 -2.856 14.741 1.00 0.00 C ATOM 1020 C GLN A 67 -6.975 -3.217 15.893 1.00 0.00 C ATOM 1021 O GLN A 67 -7.030 -4.337 16.405 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.426 -3.431 13.407 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.478 -3.365 12.284 1.00 0.00 C ATOM 1024 CD GLN A 67 -8.091 -4.206 11.063 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.837 -5.403 11.166 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -8.060 -3.632 9.871 1.00 0.00 N ATOM 0 H GLN A 67 -7.733 -0.994 13.798 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.899 -3.308 14.971 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.536 -2.883 13.097 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.126 -4.468 13.556 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.437 -3.711 12.669 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.613 -2.328 11.978 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.270 -2.638 9.778 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.826 -4.183 9.045 1.00 0.00 H new ATOM 1035 N GLY A 68 -6.111 -2.284 16.306 1.00 0.00 N ATOM 1036 CA GLY A 68 -5.200 -2.393 17.443 1.00 0.00 C ATOM 1037 C GLY A 68 -3.727 -2.304 17.029 1.00 0.00 C ATOM 1038 O GLY A 68 -2.865 -2.156 17.890 1.00 0.00 O ATOM 0 H GLY A 68 -6.026 -1.386 15.829 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.421 -1.601 18.158 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.374 -3.340 17.953 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.427 -2.408 15.734 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.082 -2.329 15.178 1.00 0.00 C ATOM 1044 C CYS A 69 -1.490 -0.924 15.334 1.00 0.00 C ATOM 1045 O CYS A 69 -2.204 0.037 15.610 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.159 -2.715 13.699 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.510 -4.489 13.561 1.00 0.00 S ATOM 0 H CYS A 69 -4.141 -2.555 15.021 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.426 -3.011 15.718 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.938 -2.138 13.201 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.219 -2.478 13.200 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.627 -4.662 12.919 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.190 -0.784 15.083 1.00 0.00 N ATOM 1054 CA ASP A 70 0.506 0.502 14.982 1.00 0.00 C ATOM 1055 C ASP A 70 1.216 0.521 13.632 1.00 0.00 C ATOM 1056 O ASP A 70 1.572 -0.553 13.137 1.00 0.00 O ATOM 1057 CB ASP A 70 1.485 0.687 16.145 1.00 0.00 C ATOM 1058 CG ASP A 70 2.270 2.003 16.012 1.00 0.00 C ATOM 1059 OD1 ASP A 70 1.652 3.054 15.727 1.00 0.00 O ATOM 1060 OD2 ASP A 70 3.506 1.990 16.204 1.00 0.00 O ATOM 0 H ASP A 70 0.428 -1.583 14.940 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.197 1.333 15.045 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.938 0.681 17.088 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.180 -0.152 16.175 1.00 0.00 H new ATOM 1065 N CYS A 71 1.431 1.706 13.049 1.00 0.00 N ATOM 1066 CA CYS A 71 1.871 1.848 11.666 1.00 0.00 C ATOM 1067 C CYS A 71 2.846 2.998 11.417 1.00 0.00 C ATOM 1068 O CYS A 71 2.923 3.945 12.202 1.00 0.00 O ATOM 1069 CB CYS A 71 0.618 2.106 10.819 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.342 0.587 10.673 1.00 0.00 S ATOM 0 H CYS A 71 1.302 2.596 13.531 1.00 0.00 H new ATOM 0 HA CYS A 71 2.405 0.934 11.407 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.012 2.888 11.278 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.904 2.463 9.830 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.874 0.297 11.823 1.00 0.00 H new ATOM 1076 N GLU A 72 3.521 2.951 10.263 1.00 0.00 N ATOM 1077 CA GLU A 72 4.349 4.011 9.713 1.00 0.00 C ATOM 1078 C GLU A 72 4.259 3.898 8.184 1.00 0.00 C ATOM 1079 O GLU A 72 4.310 2.784 7.661 1.00 0.00 O ATOM 1080 CB GLU A 72 5.786 3.788 10.218 1.00 0.00 C ATOM 1081 CG GLU A 72 6.832 4.693 9.561 1.00 0.00 C ATOM 1082 CD GLU A 72 6.641 6.181 9.910 1.00 0.00 C ATOM 1083 OE1 GLU A 72 5.656 6.796 9.447 1.00 0.00 O ATOM 1084 OE2 GLU A 72 7.483 6.744 10.648 1.00 0.00 O ATOM 0 H GLU A 72 3.498 2.127 9.663 1.00 0.00 H new ATOM 0 HA GLU A 72 4.028 5.007 10.017 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.809 3.949 11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.062 2.748 10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.827 4.376 9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.784 4.570 8.479 1.00 0.00 H new ATOM 1091 N CYS A 73 4.129 5.009 7.453 1.00 0.00 N ATOM 1092 CA CYS A 73 4.255 4.991 5.998 1.00 0.00 C ATOM 1093 C CYS A 73 5.750 4.946 5.660 1.00 0.00 C ATOM 1094 O CYS A 73 6.507 5.853 6.013 1.00 0.00 O ATOM 1095 CB CYS A 73 3.523 6.173 5.330 1.00 0.00 C ATOM 1096 SG CYS A 73 3.821 7.733 6.208 1.00 0.00 S ATOM 0 H CYS A 73 3.937 5.930 7.847 1.00 0.00 H new ATOM 0 HA CYS A 73 3.765 4.105 5.593 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.855 6.269 4.296 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.452 5.969 5.304 1.00 0.00 H new ATOM 0 HG CYS A 73 4.138 8.659 5.352 1.00 0.00 H new ATOM 1102 N LEU A 74 6.188 3.881 4.983 1.00 0.00 N ATOM 1103 CA LEU A 74 7.559 3.770 4.493 1.00 0.00 C ATOM 1104 C LEU A 74 7.791 4.743 3.329 1.00 0.00 C ATOM 1105 O LEU A 74 8.933 5.121 3.067 1.00 0.00 O ATOM 1106 CB LEU A 74 7.877 2.321 4.075 1.00 0.00 C ATOM 1107 CG LEU A 74 7.747 1.260 5.190 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.279 -0.089 4.690 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.496 1.640 6.475 1.00 0.00 C ATOM 0 H LEU A 74 5.602 3.076 4.761 1.00 0.00 H new ATOM 0 HA LEU A 74 8.237 4.039 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.213 2.044 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.894 2.289 3.685 1.00 0.00 H new ATOM 0 HG LEU A 74 6.686 1.197 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.185 -0.833 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.703 -0.408 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.328 0.014 4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.365 0.854 7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.557 1.759 6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.098 2.577 6.864 1.00 0.00 H new ATOM 1121 N GLY A 75 6.723 5.164 2.645 1.00 0.00 N ATOM 1122 CA GLY A 75 6.730 6.189 1.613 1.00 0.00 C ATOM 1123 C GLY A 75 5.440 6.091 0.806 1.00 0.00 C ATOM 1124 O GLY A 75 4.514 5.369 1.196 1.00 0.00 O ATOM 0 H GLY A 75 5.793 4.779 2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.817 7.177 2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.593 6.060 0.960 1.00 0.00 H new ATOM 1128 N GLY A 76 5.389 6.764 -0.341 1.00 0.00 N ATOM 1129 CA GLY A 76 4.295 6.613 -1.286 1.00 0.00 C ATOM 1130 C GLY A 76 4.740 6.886 -2.713 1.00 0.00 C ATOM 1131 O GLY A 76 5.884 7.276 -2.959 1.00 0.00 O ATOM 0 H GLY A 76 6.105 7.427 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.893 5.602 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.488 7.296 -1.020 1.00 0.00 H new ATOM 1135 N GLY A 77 3.811 6.678 -3.640 1.00 0.00 N ATOM 1136 CA GLY A 77 3.976 6.854 -5.074 1.00 0.00 C ATOM 1137 C GLY A 77 2.597 6.834 -5.722 1.00 0.00 C ATOM 1138 O GLY A 77 1.587 7.005 -5.036 1.00 0.00 O ATOM 0 H GLY A 77 2.872 6.365 -3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.481 7.797 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.600 6.060 -5.484 1.00 0.00 H new ATOM 1142 N ARG A 78 2.505 6.617 -7.027 1.00 0.00 N ATOM 1143 CA ARG A 78 1.234 6.455 -7.722 1.00 0.00 C ATOM 1144 C ARG A 78 1.332 5.241 -8.630 1.00 0.00 C ATOM 1145 O ARG A 78 2.426 4.731 -8.889 1.00 0.00 O ATOM 1146 CB ARG A 78 0.813 7.742 -8.464 1.00 0.00 C ATOM 1147 CG ARG A 78 1.812 8.239 -9.520 1.00 0.00 C ATOM 1148 CD ARG A 78 2.821 9.262 -8.982 1.00 0.00 C ATOM 1149 NE ARG A 78 2.206 10.570 -8.686 1.00 0.00 N ATOM 1150 CZ ARG A 78 1.938 11.550 -9.564 1.00 0.00 C ATOM 1151 NH1 ARG A 78 2.136 11.386 -10.870 1.00 0.00 N ATOM 1152 NH2 ARG A 78 1.466 12.711 -9.123 1.00 0.00 N ATOM 0 H ARG A 78 3.318 6.548 -7.639 1.00 0.00 H new ATOM 0 HA ARG A 78 0.437 6.280 -7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.147 7.566 -8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.660 8.533 -7.730 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.355 7.385 -9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.260 8.686 -10.347 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.282 8.869 -8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.619 9.398 -9.712 1.00 0.00 H new ATOM 0 HE ARG A 78 1.959 10.749 -7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.499 10.501 -11.224 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.925 12.146 -11.517 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.310 12.852 -8.125 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.260 13.461 -9.783 1.00 0.00 H new ATOM 1166 N ILE A 79 0.176 4.782 -9.087 1.00 0.00 N ATOM 1167 CA ILE A 79 0.013 3.543 -9.828 1.00 0.00 C ATOM 1168 C ILE A 79 -0.444 3.934 -11.235 1.00 0.00 C ATOM 1169 O ILE A 79 -1.182 4.906 -11.403 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.966 2.628 -9.047 1.00 0.00 C ATOM 1171 CG1 ILE A 79 -0.287 2.141 -7.740 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -1.434 1.426 -9.890 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -1.174 1.288 -6.823 1.00 0.00 C ATOM 0 H ILE A 79 -0.703 5.280 -8.947 1.00 0.00 H new ATOM 0 HA ILE A 79 0.929 2.962 -9.933 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.854 3.213 -8.806 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.599 1.563 -8.003 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.055 3.012 -7.181 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.118 0.814 -9.302 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.945 1.785 -10.783 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.571 0.828 -10.182 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.609 0.997 -5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.048 1.866 -6.522 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.496 0.394 -7.357 1.00 0.00 H new ATOM 1333 N HIS A 89 1.996 -0.496 -13.295 1.00 0.00 N ATOM 1334 CA HIS A 89 3.257 0.159 -12.995 1.00 0.00 C ATOM 1335 C HIS A 89 3.127 0.989 -11.726 1.00 0.00 C ATOM 1336 O HIS A 89 2.014 1.340 -11.330 1.00 0.00 O ATOM 1337 CB HIS A 89 3.683 1.007 -14.196 1.00 0.00 C ATOM 1338 CG HIS A 89 5.167 1.237 -14.243 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.104 0.286 -14.567 1.00 0.00 N ATOM 1340 CD2 HIS A 89 5.837 2.412 -14.032 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.306 0.874 -14.587 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.201 2.174 -14.253 1.00 0.00 N ATOM 0 HA HIS A 89 4.032 -0.585 -12.814 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.366 0.514 -15.115 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.171 1.968 -14.157 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.394 3.355 -13.746 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.231 0.375 -14.836 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.961 2.850 -14.176 1.00 0.00 H new ATOM 1350 N VAL A 90 4.258 1.311 -11.099 1.00 0.00 N ATOM 1351 CA VAL A 90 4.326 2.071 -9.859 1.00 0.00 C ATOM 1352 C VAL A 90 5.541 3.000 -9.968 1.00 0.00 C ATOM 1353 O VAL A 90 6.594 2.580 -10.454 1.00 0.00 O ATOM 1354 CB VAL A 90 4.443 1.112 -8.649 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.149 1.865 -7.345 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.494 -0.100 -8.694 1.00 0.00 C ATOM 0 H VAL A 90 5.176 1.041 -11.453 1.00 0.00 H new ATOM 0 HA VAL A 90 3.422 2.660 -9.704 1.00 0.00 H new ATOM 0 HB VAL A 90 5.466 0.738 -8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.235 1.180 -6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.865 2.679 -7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.139 2.273 -7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.647 -0.715 -7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.461 0.247 -8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.702 -0.692 -9.586 1.00 0.00 H new ATOM 1366 N TYR A 91 5.416 4.260 -9.551 1.00 0.00 N ATOM 1367 CA TYR A 91 6.495 5.249 -9.601 1.00 0.00 C ATOM 1368 C TYR A 91 6.148 6.423 -8.677 1.00 0.00 C ATOM 1369 O TYR A 91 5.072 6.431 -8.076 1.00 0.00 O ATOM 1370 CB TYR A 91 6.693 5.741 -11.050 1.00 0.00 C ATOM 1371 CG TYR A 91 5.599 6.658 -11.572 1.00 0.00 C ATOM 1372 CD1 TYR A 91 4.344 6.143 -11.947 1.00 0.00 C ATOM 1373 CD2 TYR A 91 5.832 8.044 -11.644 1.00 0.00 C ATOM 1374 CE1 TYR A 91 3.327 7.011 -12.380 1.00 0.00 C ATOM 1375 CE2 TYR A 91 4.829 8.916 -12.093 1.00 0.00 C ATOM 1376 CZ TYR A 91 3.568 8.401 -12.461 1.00 0.00 C ATOM 1377 OH TYR A 91 2.581 9.260 -12.837 1.00 0.00 O ATOM 0 H TYR A 91 4.548 4.629 -9.162 1.00 0.00 H new ATOM 0 HA TYR A 91 7.426 4.793 -9.264 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.646 6.265 -11.113 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.763 4.873 -11.706 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.162 5.079 -11.902 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.793 8.440 -11.351 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.360 6.615 -12.651 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.021 9.977 -12.157 1.00 0.00 H new ATOM 0 HH TYR A 91 1.712 8.898 -12.565 1.00 0.00 H new ATOM 1387 N GLY A 92 7.008 7.440 -8.589 1.00 0.00 N ATOM 1388 CA GLY A 92 6.681 8.693 -7.918 1.00 0.00 C ATOM 1389 C GLY A 92 7.274 8.779 -6.518 1.00 0.00 C ATOM 1390 O GLY A 92 8.169 8.011 -6.153 1.00 0.00 O ATOM 0 H GLY A 92 7.949 7.415 -8.982 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.047 9.528 -8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.598 8.796 -7.857 1.00 0.00 H new ATOM 1394 N TYR A 93 6.791 9.756 -5.749 1.00 0.00 N ATOM 1395 CA TYR A 93 7.192 10.008 -4.373 1.00 0.00 C ATOM 1396 C TYR A 93 6.107 10.822 -3.665 1.00 0.00 C ATOM 1397 O TYR A 93 5.310 11.496 -4.326 1.00 0.00 O ATOM 1398 CB TYR A 93 8.535 10.769 -4.331 1.00 0.00 C ATOM 1399 CG TYR A 93 8.502 12.261 -4.650 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.032 12.738 -5.892 1.00 0.00 C ATOM 1401 CD2 TYR A 93 8.961 13.186 -3.690 1.00 0.00 C ATOM 1402 CE1 TYR A 93 7.998 14.118 -6.162 1.00 0.00 C ATOM 1403 CE2 TYR A 93 8.931 14.566 -3.951 1.00 0.00 C ATOM 1404 CZ TYR A 93 8.446 15.041 -5.189 1.00 0.00 C ATOM 1405 OH TYR A 93 8.419 16.383 -5.431 1.00 0.00 O ATOM 0 H TYR A 93 6.086 10.413 -6.083 1.00 0.00 H new ATOM 0 HA TYR A 93 7.321 9.054 -3.862 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.962 10.646 -3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.217 10.289 -5.032 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.695 12.037 -6.642 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.340 12.830 -2.743 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.629 14.473 -7.113 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.279 15.264 -3.204 1.00 0.00 H new ATOM 0 HH TYR A 93 8.764 16.863 -4.649 1.00 0.00 H new ATOM 1415 N SER A 94 6.073 10.761 -2.334 1.00 0.00 N ATOM 1416 CA SER A 94 5.268 11.656 -1.511 1.00 0.00 C ATOM 1417 C SER A 94 6.152 12.862 -1.198 1.00 0.00 C ATOM 1418 O SER A 94 7.367 12.703 -1.031 1.00 0.00 O ATOM 1419 CB SER A 94 4.837 10.920 -0.237 1.00 0.00 C ATOM 1420 OG SER A 94 4.403 11.803 0.772 1.00 0.00 O ATOM 0 H SER A 94 6.609 10.082 -1.794 1.00 0.00 H new ATOM 0 HA SER A 94 4.359 11.982 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.034 10.224 -0.477 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.672 10.327 0.137 1.00 0.00 H new ATOM 0 HG SER A 94 3.548 12.203 0.511 1.00 0.00 H new ATOM 1426 N MET A 95 5.569 14.056 -1.069 1.00 0.00 N ATOM 1427 CA MET A 95 6.334 15.200 -0.597 1.00 0.00 C ATOM 1428 C MET A 95 6.573 15.019 0.904 1.00 0.00 C ATOM 1429 O MET A 95 7.690 15.248 1.377 1.00 0.00 O ATOM 1430 CB MET A 95 5.638 16.530 -0.960 1.00 0.00 C ATOM 1431 CG MET A 95 4.815 17.201 0.152 1.00 0.00 C ATOM 1432 SD MET A 95 5.793 18.160 1.350 1.00 0.00 S ATOM 1433 CE MET A 95 4.465 18.753 2.432 1.00 0.00 C ATOM 0 H MET A 95 4.590 14.249 -1.281 1.00 0.00 H new ATOM 0 HA MET A 95 7.303 15.251 -1.094 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.401 17.234 -1.292 1.00 0.00 H new ATOM 0 HB3 MET A 95 4.980 16.349 -1.810 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.080 17.862 -0.307 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.261 16.432 0.689 1.00 0.00 H new ATOM 0 HE1 MET A 95 4.890 19.363 3.229 1.00 0.00 H new ATOM 0 HE2 MET A 95 3.763 19.352 1.852 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.942 17.901 2.867 1.00 0.00 H new ATOM 1443 N ALA A 96 5.549 14.580 1.648 1.00 0.00 N ATOM 1444 CA ALA A 96 5.622 14.542 3.101 1.00 0.00 C ATOM 1445 C ALA A 96 6.378 13.310 3.611 1.00 0.00 C ATOM 1446 O ALA A 96 6.938 13.366 4.709 1.00 0.00 O ATOM 1447 CB ALA A 96 4.208 14.588 3.682 1.00 0.00 C ATOM 0 H ALA A 96 4.665 14.248 1.262 1.00 0.00 H new ATOM 0 HA ALA A 96 6.184 15.414 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.261 14.560 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.715 15.507 3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.639 13.730 3.324 1.00 0.00 H new ATOM 1453 N TYR A 97 6.428 12.227 2.827 1.00 0.00 N ATOM 1454 CA TYR A 97 6.916 10.925 3.282 1.00 0.00 C ATOM 1455 C TYR A 97 7.917 10.268 2.318 1.00 0.00 C ATOM 1456 O TYR A 97 8.442 9.198 2.631 1.00 0.00 O ATOM 1457 CB TYR A 97 5.704 10.018 3.551 1.00 0.00 C ATOM 1458 CG TYR A 97 4.615 10.650 4.409 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.823 10.849 5.788 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.404 11.071 3.825 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.818 11.429 6.585 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.389 11.629 4.616 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.588 11.815 6.001 1.00 0.00 C ATOM 1464 OH TYR A 97 1.604 12.392 6.748 1.00 0.00 O ATOM 0 H TYR A 97 6.128 12.232 1.852 1.00 0.00 H new ATOM 0 HA TYR A 97 7.482 11.078 4.201 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.270 9.722 2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.050 9.107 4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.760 10.555 6.237 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.256 10.963 2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.985 11.579 7.641 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.452 11.917 4.164 1.00 0.00 H new ATOM 0 HH TYR A 97 0.833 12.590 6.177 1.00 0.00 H new ATOM 1474 N GLY A 98 8.231 10.899 1.181 1.00 0.00 N ATOM 1475 CA GLY A 98 9.262 10.433 0.257 1.00 0.00 C ATOM 1476 C GLY A 98 8.810 9.251 -0.610 1.00 0.00 C ATOM 1477 O GLY A 98 7.655 8.817 -0.527 1.00 0.00 O ATOM 0 H GLY A 98 7.770 11.756 0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.559 11.258 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.145 10.141 0.826 1.00 0.00 H new ATOM 1481 N PRO A 99 9.691 8.744 -1.491 1.00 0.00 N ATOM 1482 CA PRO A 99 9.411 7.569 -2.303 1.00 0.00 C ATOM 1483 C PRO A 99 9.412 6.315 -1.426 1.00 0.00 C ATOM 1484 O PRO A 99 10.266 6.150 -0.550 1.00 0.00 O ATOM 1485 CB PRO A 99 10.514 7.530 -3.364 1.00 0.00 C ATOM 1486 CG PRO A 99 11.696 8.217 -2.679 1.00 0.00 C ATOM 1487 CD PRO A 99 11.038 9.238 -1.750 1.00 0.00 C ATOM 0 HA PRO A 99 8.429 7.609 -2.774 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.757 6.507 -3.652 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.216 8.055 -4.272 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.305 7.504 -2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.352 8.700 -3.403 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.601 9.339 -0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.008 10.224 -2.214 1.00 0.00 H new ATOM 1495 N ALA A 100 8.457 5.421 -1.673 1.00 0.00 N ATOM 1496 CA ALA A 100 8.438 4.093 -1.076 1.00 0.00 C ATOM 1497 C ALA A 100 9.459 3.170 -1.751 1.00 0.00 C ATOM 1498 O ALA A 100 9.977 3.469 -2.830 1.00 0.00 O ATOM 1499 CB ALA A 100 7.046 3.500 -1.283 1.00 0.00 C ATOM 0 H ALA A 100 7.671 5.602 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 100 8.687 4.177 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.006 2.503 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.304 4.138 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.833 3.435 -2.350 1.00 0.00 H new ATOM 1505 N GLN A 101 9.706 2.010 -1.132 1.00 0.00 N ATOM 1506 CA GLN A 101 10.453 0.924 -1.752 1.00 0.00 C ATOM 1507 C GLN A 101 9.464 0.224 -2.683 1.00 0.00 C ATOM 1508 O GLN A 101 8.852 -0.776 -2.305 1.00 0.00 O ATOM 1509 CB GLN A 101 11.020 -0.054 -0.710 1.00 0.00 C ATOM 1510 CG GLN A 101 12.199 0.533 0.063 1.00 0.00 C ATOM 1511 CD GLN A 101 12.857 -0.518 0.958 1.00 0.00 C ATOM 1512 OE1 GLN A 101 13.832 -1.162 0.577 1.00 0.00 O ATOM 1513 NE2 GLN A 101 12.340 -0.729 2.157 1.00 0.00 N ATOM 0 H GLN A 101 9.390 1.803 -0.184 1.00 0.00 H new ATOM 0 HA GLN A 101 11.319 1.306 -2.293 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.232 -0.330 -0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.337 -0.969 -1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.934 0.929 -0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.857 1.369 0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.531 -0.190 2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.751 -1.431 2.773 1.00 0.00 H new ATOM 1522 N HIS A 102 9.267 0.773 -3.883 1.00 0.00 N ATOM 1523 CA HIS A 102 8.268 0.296 -4.837 1.00 0.00 C ATOM 1524 C HIS A 102 8.432 -1.186 -5.212 1.00 0.00 C ATOM 1525 O HIS A 102 7.469 -1.809 -5.651 1.00 0.00 O ATOM 1526 CB HIS A 102 8.252 1.219 -6.063 1.00 0.00 C ATOM 1527 CG HIS A 102 7.780 2.609 -5.705 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.506 3.780 -5.711 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.553 2.915 -5.183 1.00 0.00 C ATOM 1530 CE1 HIS A 102 7.732 4.754 -5.208 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.520 4.281 -4.888 1.00 0.00 N ATOM 0 H HIS A 102 9.804 1.571 -4.222 1.00 0.00 H new ATOM 0 HA HIS A 102 7.294 0.341 -4.350 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.253 1.273 -6.492 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.599 0.798 -6.828 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.465 3.888 -6.041 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.744 2.217 -5.025 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.044 5.780 -5.079 1.00 0.00 H new ATOM 1539 N ALA A 103 9.612 -1.766 -4.967 1.00 0.00 N ATOM 1540 CA ALA A 103 9.878 -3.195 -5.067 1.00 0.00 C ATOM 1541 C ALA A 103 8.908 -4.026 -4.213 1.00 0.00 C ATOM 1542 O ALA A 103 8.459 -5.094 -4.634 1.00 0.00 O ATOM 1543 CB ALA A 103 11.322 -3.438 -4.601 1.00 0.00 C ATOM 0 H ALA A 103 10.433 -1.230 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 103 9.738 -3.509 -6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.551 -4.502 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.009 -2.880 -5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.432 -3.104 -3.569 1.00 0.00 H new ATOM 1549 N ILE A 104 8.593 -3.551 -3.004 1.00 0.00 N ATOM 1550 CA ILE A 104 7.668 -4.220 -2.099 1.00 0.00 C ATOM 1551 C ILE A 104 6.278 -4.179 -2.746 1.00 0.00 C ATOM 1552 O ILE A 104 5.597 -5.204 -2.822 1.00 0.00 O ATOM 1553 CB ILE A 104 7.697 -3.538 -0.707 1.00 0.00 C ATOM 1554 CG1 ILE A 104 9.127 -3.456 -0.120 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.770 -4.284 0.269 1.00 0.00 C ATOM 1556 CD1 ILE A 104 9.215 -2.652 1.183 1.00 0.00 C ATOM 0 H ILE A 104 8.978 -2.685 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 104 7.952 -5.260 -1.936 1.00 0.00 H new ATOM 0 HB ILE A 104 7.342 -2.516 -0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.494 -4.466 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.788 -3.005 -0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.799 -3.796 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.750 -4.269 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.104 -5.317 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.247 -2.639 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.880 -1.630 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.581 -3.114 1.939 1.00 0.00 H new ATOM 1568 N SER A 105 5.870 -3.007 -3.239 1.00 0.00 N ATOM 1569 CA SER A 105 4.559 -2.774 -3.816 1.00 0.00 C ATOM 1570 C SER A 105 4.322 -3.691 -5.006 1.00 0.00 C ATOM 1571 O SER A 105 3.282 -4.346 -5.064 1.00 0.00 O ATOM 1572 CB SER A 105 4.428 -1.308 -4.250 1.00 0.00 C ATOM 1573 OG SER A 105 5.221 -0.482 -3.422 1.00 0.00 O ATOM 0 H SER A 105 6.463 -2.177 -3.244 1.00 0.00 H new ATOM 0 HA SER A 105 3.807 -2.992 -3.058 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.739 -1.199 -5.289 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.385 -0.997 -4.195 1.00 0.00 H new ATOM 0 HG SER A 105 4.851 0.425 -3.414 1.00 0.00 H new ATOM 1579 N THR A 106 5.271 -3.761 -5.943 1.00 0.00 N ATOM 1580 CA THR A 106 5.083 -4.535 -7.152 1.00 0.00 C ATOM 1581 C THR A 106 4.927 -6.007 -6.796 1.00 0.00 C ATOM 1582 O THR A 106 3.946 -6.613 -7.216 1.00 0.00 O ATOM 1583 CB THR A 106 6.220 -4.274 -8.149 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.488 -4.436 -7.544 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.136 -2.843 -8.680 1.00 0.00 C ATOM 0 H THR A 106 6.173 -3.288 -5.879 1.00 0.00 H new ATOM 0 HA THR A 106 4.166 -4.222 -7.652 1.00 0.00 H new ATOM 0 HB THR A 106 6.108 -4.996 -8.958 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.184 -4.422 -8.234 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.948 -2.669 -9.387 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.180 -2.697 -9.182 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.221 -2.141 -7.850 1.00 0.00 H new ATOM 1593 N GLU A 107 5.811 -6.573 -5.970 1.00 0.00 N ATOM 1594 CA GLU A 107 5.723 -7.980 -5.594 1.00 0.00 C ATOM 1595 C GLU A 107 4.389 -8.290 -4.903 1.00 0.00 C ATOM 1596 O GLU A 107 3.765 -9.308 -5.212 1.00 0.00 O ATOM 1597 CB GLU A 107 6.928 -8.375 -4.727 1.00 0.00 C ATOM 1598 CG GLU A 107 8.241 -8.432 -5.529 1.00 0.00 C ATOM 1599 CD GLU A 107 8.249 -9.559 -6.579 1.00 0.00 C ATOM 1600 OE1 GLU A 107 8.490 -10.733 -6.214 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.032 -9.278 -7.780 1.00 0.00 O ATOM 0 H GLU A 107 6.596 -6.075 -5.550 1.00 0.00 H new ATOM 0 HA GLU A 107 5.753 -8.585 -6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.035 -7.659 -3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.741 -9.348 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.399 -7.476 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.075 -8.575 -4.842 1.00 0.00 H new ATOM 1608 N LYS A 108 3.904 -7.405 -4.025 1.00 0.00 N ATOM 1609 CA LYS A 108 2.615 -7.598 -3.363 1.00 0.00 C ATOM 1610 C LYS A 108 1.462 -7.542 -4.364 1.00 0.00 C ATOM 1611 O LYS A 108 0.609 -8.429 -4.351 1.00 0.00 O ATOM 1612 CB LYS A 108 2.439 -6.567 -2.240 1.00 0.00 C ATOM 1613 CG LYS A 108 3.298 -6.928 -1.019 1.00 0.00 C ATOM 1614 CD LYS A 108 3.171 -5.872 0.086 1.00 0.00 C ATOM 1615 CE LYS A 108 4.014 -6.277 1.301 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.267 -7.142 2.244 1.00 0.00 N ATOM 0 H LYS A 108 4.388 -6.548 -3.758 1.00 0.00 H new ATOM 0 HA LYS A 108 2.600 -8.593 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.716 -5.578 -2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.390 -6.517 -1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.993 -7.900 -0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.342 -7.018 -1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.500 -4.902 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.126 -5.764 0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.907 -6.801 0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.349 -5.380 1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.919 -7.826 2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.835 -6.555 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.522 -7.654 1.730 1.00 0.00 H new ATOM 1630 N ILE A 109 1.423 -6.551 -5.258 1.00 0.00 N ATOM 1631 CA ILE A 109 0.349 -6.434 -6.248 1.00 0.00 C ATOM 1632 C ILE A 109 0.397 -7.650 -7.196 1.00 0.00 C ATOM 1633 O ILE A 109 -0.652 -8.205 -7.520 1.00 0.00 O ATOM 1634 CB ILE A 109 0.423 -5.062 -6.969 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.245 -3.875 -5.987 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.663 -4.928 -8.059 1.00 0.00 C ATOM 1637 CD1 ILE A 109 0.729 -2.536 -6.565 1.00 0.00 C ATOM 0 H ILE A 109 2.126 -5.815 -5.317 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.627 -6.453 -5.763 1.00 0.00 H new ATOM 0 HB ILE A 109 1.415 -5.025 -7.419 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.808 -3.788 -5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.792 -4.086 -5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.577 -3.954 -8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.530 -5.713 -8.803 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.649 -5.022 -7.604 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.577 -1.746 -5.829 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.789 -2.607 -6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.164 -2.304 -7.468 1.00 0.00 H new ATOM 1649 N LYS A 110 1.585 -8.124 -7.597 1.00 0.00 N ATOM 1650 CA LYS A 110 1.728 -9.310 -8.452 1.00 0.00 C ATOM 1651 C LYS A 110 1.161 -10.537 -7.742 1.00 0.00 C ATOM 1652 O LYS A 110 0.416 -11.299 -8.356 1.00 0.00 O ATOM 1653 CB LYS A 110 3.204 -9.536 -8.844 1.00 0.00 C ATOM 1654 CG LYS A 110 3.735 -8.411 -9.746 1.00 0.00 C ATOM 1655 CD LYS A 110 5.257 -8.228 -9.708 1.00 0.00 C ATOM 1656 CE LYS A 110 5.985 -9.159 -10.676 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.455 -9.063 -10.500 1.00 0.00 N ATOM 0 H LYS A 110 2.474 -7.696 -7.338 1.00 0.00 H new ATOM 0 HA LYS A 110 1.164 -9.145 -9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.814 -9.597 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.301 -10.491 -9.360 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.432 -8.613 -10.773 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.262 -7.474 -9.453 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.501 -7.194 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.616 -8.410 -8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.661 -10.187 -10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.720 -8.902 -11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.925 -9.753 -11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.772 -8.104 -10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.700 -9.265 -9.510 1.00 0.00 H new ATOM 1786 N VAL A 118 3.449 -6.473 -12.866 1.00 0.00 N ATOM 1787 CA VAL A 118 3.639 -5.141 -12.330 1.00 0.00 C ATOM 1788 C VAL A 118 5.137 -4.854 -12.372 1.00 0.00 C ATOM 1789 O VAL A 118 5.942 -5.749 -12.100 1.00 0.00 O ATOM 1790 CB VAL A 118 3.078 -5.033 -10.895 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.880 -3.562 -10.497 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.728 -5.740 -10.661 1.00 0.00 C ATOM 0 HA VAL A 118 3.096 -4.404 -12.922 1.00 0.00 H new ATOM 0 HB VAL A 118 3.830 -5.536 -10.287 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.484 -3.510 -9.483 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.837 -3.041 -10.541 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.179 -3.090 -11.185 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.422 -5.605 -9.624 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.974 -5.312 -11.321 1.00 0.00 H new ATOM 0 HG23 VAL A 118 1.833 -6.804 -10.873 1.00 0.00 H new ATOM 1802 N THR A 119 5.506 -3.615 -12.674 1.00 0.00 N ATOM 1803 CA THR A 119 6.884 -3.143 -12.699 1.00 0.00 C ATOM 1804 C THR A 119 6.953 -1.784 -11.991 1.00 0.00 C ATOM 1805 O THR A 119 5.922 -1.202 -11.639 1.00 0.00 O ATOM 1806 CB THR A 119 7.381 -3.093 -14.161 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.404 -2.525 -15.014 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.707 -4.494 -14.684 1.00 0.00 C ATOM 0 H THR A 119 4.832 -2.888 -12.916 1.00 0.00 H new ATOM 0 HA THR A 119 7.547 -3.823 -12.164 1.00 0.00 H new ATOM 0 HB THR A 119 8.281 -2.477 -14.163 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.482 -1.548 -14.996 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.054 -4.426 -15.715 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.487 -4.940 -14.067 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.812 -5.115 -14.643 1.00 0.00 H new ATOM 1816 N TRP A 120 8.159 -1.272 -11.754 1.00 0.00 N ATOM 1817 CA TRP A 120 8.354 0.076 -11.238 1.00 0.00 C ATOM 1818 C TRP A 120 9.587 0.683 -11.896 1.00 0.00 C ATOM 1819 O TRP A 120 10.476 -0.042 -12.354 1.00 0.00 O ATOM 1820 CB TRP A 120 8.475 0.082 -9.703 1.00 0.00 C ATOM 1821 CG TRP A 120 9.671 -0.608 -9.118 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.767 -1.932 -8.866 1.00 0.00 C ATOM 1823 CD2 TRP A 120 10.958 -0.037 -8.714 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.012 -2.229 -8.361 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.791 -1.100 -8.244 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.514 1.266 -8.698 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.102 -0.893 -7.795 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.840 1.476 -8.262 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.630 0.406 -7.809 1.00 0.00 C ATOM 0 H TRP A 120 9.027 -1.782 -11.915 1.00 0.00 H new ATOM 0 HA TRP A 120 7.481 0.682 -11.482 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.482 1.119 -9.367 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.579 -0.381 -9.289 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.981 -2.653 -9.036 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.319 -3.168 -8.105 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.918 2.106 -9.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.698 -1.722 -7.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 13.253 2.474 -8.277 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.641 0.583 -7.473 1.00 0.00 H new