USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 599 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 224 ASN : amide:sc= -6.28! C(o=-6.1!,f=-5.3!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= 0.156 USER MOD Set 2.1: A 194 HIS : no HD1:sc= -1.86 X(o=-2.4,f=-2.1) USER MOD Set 2.2: A 197 TYR OH : rot 100:sc= -0.553 USER MOD Set 3.1: A 182 HIS : no HD1:sc= -0.286 K(o=-0.29,f=-1.3) USER MOD Set 3.2: A 186 MET CE :methyl -140:sc= 0 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ -173:sc= -0.589 (180deg=-0.658) USER MOD Single : A 181 GLN : amide:sc= -5.51! C(o=-5.5!,f=-4.3!) USER MOD Single : A 189 SER OG : rot -38:sc= -0.126 USER MOD Single : A 193 LYS NZ :NH3+ 154:sc= -0.0643 (180deg=-0.552) USER MOD Single : A 195 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.18) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -4.48! C(o=-4.5!,f=-18!) USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot 38:sc= 0.571 USER MOD Single : A 207 LYS NZ :NH3+ -161:sc= -0.0189 (180deg=-0.34) USER MOD Single : A 208 GLN : amide:sc= -4.23! C(o=-4.2!,f=-6.7!) USER MOD Single : A 212 TYR OH : rot 120:sc= -0.277 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 GLN : amide:sc= -17.6! C(o=-18!,f=-3!) USER MOD Single : A 226 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HD1:sc= -0.903 K(o=-0.9,f=-0.33) USER MOD Single : A 230 LYS NZ :NH3+ -109:sc= -0.831 (180deg=-3.26!) USER MOD Single : A 231 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.14) USER MOD Single : A 236 LYS NZ :NH3+ 142:sc= -1.95 (180deg=-3.59) USER MOD Single : A 239 TYR OH : rot -23:sc= -1.39 USER MOD Single : A 241 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-0.57) USER MOD Single : A 242 TYR OH : rot 149:sc= 1.08 USER MOD Single : A 243 GLN : amide:sc= -0.0767 X(o=-0.077,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 1.446 -11.696 -13.511 1.00 0.00 N ATOM 2 CA ARG A 175 1.601 -11.472 -12.044 1.00 0.00 C ATOM 3 C ARG A 175 2.553 -10.332 -11.746 1.00 0.00 C ATOM 4 O ARG A 175 3.753 -10.489 -11.665 1.00 0.00 O ATOM 5 CB ARG A 175 2.098 -12.757 -11.364 1.00 0.00 C ATOM 6 CG ARG A 175 0.921 -13.709 -11.117 1.00 0.00 C ATOM 7 CD ARG A 175 -0.048 -13.119 -10.073 1.00 0.00 C ATOM 8 NE ARG A 175 -0.534 -14.216 -9.186 1.00 0.00 N ATOM 9 CZ ARG A 175 -0.985 -15.339 -9.680 1.00 0.00 C ATOM 10 NH1 ARG A 175 -1.148 -15.486 -10.968 1.00 0.00 N ATOM 11 NH2 ARG A 175 -1.307 -16.308 -8.874 1.00 0.00 N ATOM 0 HA ARG A 175 0.622 -11.202 -11.647 1.00 0.00 H new ATOM 0 HB2 ARG A 175 2.845 -13.244 -11.991 1.00 0.00 H new ATOM 0 HB3 ARG A 175 2.584 -12.514 -10.419 1.00 0.00 H new ATOM 0 HG2 ARG A 175 0.390 -13.889 -12.052 1.00 0.00 H new ATOM 0 HG3 ARG A 175 1.293 -14.673 -10.771 1.00 0.00 H new ATOM 0 HD2 ARG A 175 0.455 -12.353 -9.483 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -0.889 -12.637 -10.571 1.00 0.00 H new ATOM 0 HE ARG A 175 -0.514 -14.087 -8.174 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -0.922 -14.719 -11.601 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -1.501 -16.368 -11.340 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -1.207 -16.188 -7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -1.660 -17.188 -9.250 1.00 0.00 H new ATOM 25 N ALA A 176 1.977 -9.192 -11.506 1.00 0.00 N ATOM 26 CA ALA A 176 2.760 -8.005 -11.119 1.00 0.00 C ATOM 27 C ALA A 176 2.751 -7.989 -9.593 1.00 0.00 C ATOM 28 O ALA A 176 3.011 -6.988 -8.961 1.00 0.00 O ATOM 29 CB ALA A 176 2.084 -6.743 -11.664 1.00 0.00 C ATOM 0 H ALA A 176 0.971 -9.036 -11.565 1.00 0.00 H new ATOM 0 HA ALA A 176 3.775 -8.035 -11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 176 2.665 -5.866 -11.377 1.00 0.00 H new ATOM 0 HB2 ALA A 176 2.028 -6.801 -12.751 1.00 0.00 H new ATOM 0 HB3 ALA A 176 1.078 -6.663 -11.253 1.00 0.00 H new ATOM 35 N ARG A 177 2.442 -9.123 -9.002 1.00 0.00 N ATOM 36 CA ARG A 177 2.397 -9.217 -7.515 1.00 0.00 C ATOM 37 C ARG A 177 3.784 -8.923 -7.003 1.00 0.00 C ATOM 38 O ARG A 177 3.991 -8.608 -5.849 1.00 0.00 O ATOM 39 CB ARG A 177 1.995 -10.627 -7.088 1.00 0.00 C ATOM 40 CG ARG A 177 1.851 -10.675 -5.567 1.00 0.00 C ATOM 41 CD ARG A 177 1.195 -11.996 -5.164 1.00 0.00 C ATOM 42 NE ARG A 177 -0.217 -12.025 -5.640 1.00 0.00 N ATOM 43 CZ ARG A 177 -0.860 -13.160 -5.675 1.00 0.00 C ATOM 44 NH1 ARG A 177 -0.262 -14.251 -5.292 1.00 0.00 N ATOM 45 NH2 ARG A 177 -2.099 -13.205 -6.089 1.00 0.00 N ATOM 0 H ARG A 177 2.219 -9.988 -9.494 1.00 0.00 H new ATOM 0 HA ARG A 177 1.669 -8.512 -7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.055 -10.908 -7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 177 2.745 -11.346 -7.416 1.00 0.00 H new ATOM 0 HG2 ARG A 177 2.829 -10.582 -5.094 1.00 0.00 H new ATOM 0 HG3 ARG A 177 1.248 -9.836 -5.220 1.00 0.00 H new ATOM 0 HD2 ARG A 177 1.749 -12.832 -5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 177 1.226 -12.112 -4.081 1.00 0.00 H new ATOM 0 HE ARG A 177 -0.677 -11.164 -5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 177 0.704 -14.216 -4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -0.760 -15.141 -5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -2.569 -12.350 -6.387 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -2.596 -14.095 -6.114 1.00 0.00 H new ATOM 59 N ALA A 178 4.737 -8.994 -7.877 1.00 0.00 N ATOM 60 CA ALA A 178 6.120 -8.678 -7.484 1.00 0.00 C ATOM 61 C ALA A 178 6.085 -7.229 -7.016 1.00 0.00 C ATOM 62 O ALA A 178 6.595 -6.876 -5.972 1.00 0.00 O ATOM 63 CB ALA A 178 7.013 -8.826 -8.723 1.00 0.00 C ATOM 0 H ALA A 178 4.613 -9.260 -8.854 1.00 0.00 H new ATOM 0 HA ALA A 178 6.508 -9.331 -6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.045 -8.597 -8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 178 6.953 -9.849 -9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 178 6.677 -8.138 -9.498 1.00 0.00 H new ATOM 69 N ASP A 179 5.430 -6.408 -7.789 1.00 0.00 N ATOM 70 CA ASP A 179 5.275 -4.984 -7.423 1.00 0.00 C ATOM 71 C ASP A 179 4.405 -4.890 -6.169 1.00 0.00 C ATOM 72 O ASP A 179 4.680 -4.132 -5.278 1.00 0.00 O ATOM 73 CB ASP A 179 4.588 -4.230 -8.562 1.00 0.00 C ATOM 74 CG ASP A 179 5.533 -4.102 -9.757 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.719 -4.333 -9.581 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.052 -3.777 -10.831 1.00 0.00 O ATOM 0 H ASP A 179 4.991 -6.673 -8.671 1.00 0.00 H new ATOM 0 HA ASP A 179 6.256 -4.545 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.681 -4.756 -8.861 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.285 -3.240 -8.221 1.00 0.00 H new ATOM 81 N LYS A 180 3.341 -5.651 -6.104 1.00 0.00 N ATOM 82 CA LYS A 180 2.451 -5.577 -4.904 1.00 0.00 C ATOM 83 C LYS A 180 3.276 -5.599 -3.618 1.00 0.00 C ATOM 84 O LYS A 180 3.250 -4.668 -2.846 1.00 0.00 O ATOM 85 CB LYS A 180 1.481 -6.768 -4.885 1.00 0.00 C ATOM 86 CG LYS A 180 0.658 -6.744 -3.581 1.00 0.00 C ATOM 87 CD LYS A 180 -0.491 -7.753 -3.661 1.00 0.00 C ATOM 88 CE LYS A 180 -1.371 -7.624 -2.414 1.00 0.00 C ATOM 89 NZ LYS A 180 -0.565 -7.950 -1.198 1.00 0.00 N ATOM 0 H LYS A 180 3.052 -6.315 -6.823 1.00 0.00 H new ATOM 0 HA LYS A 180 1.891 -4.644 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 180 0.816 -6.722 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.036 -7.703 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.300 -6.980 -2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.261 -5.743 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -1.084 -7.575 -4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 180 -0.095 -8.766 -3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -1.768 -6.612 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -2.225 -8.297 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -1.188 -7.979 -0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -0.110 -8.877 -1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 0.164 -7.222 -1.059 1.00 0.00 H new ATOM 103 N GLN A 181 3.993 -6.659 -3.367 1.00 0.00 N ATOM 104 CA GLN A 181 4.785 -6.729 -2.106 1.00 0.00 C ATOM 105 C GLN A 181 5.746 -5.542 -2.038 1.00 0.00 C ATOM 106 O GLN A 181 5.864 -4.876 -1.027 1.00 0.00 O ATOM 107 CB GLN A 181 5.572 -8.043 -2.089 1.00 0.00 C ATOM 108 CG GLN A 181 6.237 -8.243 -0.727 1.00 0.00 C ATOM 109 CD GLN A 181 7.449 -7.321 -0.595 1.00 0.00 C ATOM 110 OE1 GLN A 181 8.480 -7.552 -1.198 1.00 0.00 O ATOM 111 NE2 GLN A 181 7.364 -6.270 0.172 1.00 0.00 N ATOM 0 H GLN A 181 4.065 -7.475 -3.975 1.00 0.00 H new ATOM 0 HA GLN A 181 4.119 -6.691 -1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 181 4.904 -8.878 -2.302 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.329 -8.032 -2.873 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.523 -8.034 0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.546 -9.282 -0.613 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.500 -6.076 0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.162 -5.642 0.266 1.00 0.00 H new ATOM 120 N HIS A 182 6.411 -5.257 -3.114 1.00 0.00 N ATOM 121 CA HIS A 182 7.348 -4.107 -3.133 1.00 0.00 C ATOM 122 C HIS A 182 6.563 -2.804 -2.975 1.00 0.00 C ATOM 123 O HIS A 182 7.023 -1.854 -2.376 1.00 0.00 O ATOM 124 CB HIS A 182 8.077 -4.124 -4.467 1.00 0.00 C ATOM 125 CG HIS A 182 9.000 -2.958 -4.558 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.565 -2.368 -3.442 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.462 -2.260 -5.635 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.333 -1.351 -3.872 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.308 -1.240 -5.205 1.00 0.00 N ATOM 0 H HIS A 182 6.346 -5.775 -3.990 1.00 0.00 H new ATOM 0 HA HIS A 182 8.064 -4.178 -2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.639 -5.052 -4.572 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.357 -4.093 -5.285 1.00 0.00 H new ATOM 0 HD2 HIS A 182 9.210 -2.467 -6.665 1.00 0.00 H new ATOM 0 HE1 HIS A 182 10.901 -0.703 -3.221 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.801 -0.557 -5.781 1.00 0.00 H new ATOM 137 N VAL A 183 5.379 -2.765 -3.511 1.00 0.00 N ATOM 138 CA VAL A 183 4.536 -1.546 -3.412 1.00 0.00 C ATOM 139 C VAL A 183 4.108 -1.333 -1.959 1.00 0.00 C ATOM 140 O VAL A 183 4.061 -0.218 -1.485 1.00 0.00 O ATOM 141 CB VAL A 183 3.291 -1.721 -4.297 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.307 -0.570 -4.038 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.697 -1.749 -5.797 1.00 0.00 C ATOM 0 H VAL A 183 4.953 -3.539 -4.022 1.00 0.00 H new ATOM 0 HA VAL A 183 5.105 -0.679 -3.747 1.00 0.00 H new ATOM 0 HB VAL A 183 2.809 -2.667 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.426 -0.697 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 183 2.009 -0.575 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.788 0.380 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.806 -1.873 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.191 -0.813 -6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.379 -2.580 -5.974 1.00 0.00 H new ATOM 153 N LEU A 184 3.792 -2.378 -1.236 1.00 0.00 N ATOM 154 CA LEU A 184 3.371 -2.164 0.174 1.00 0.00 C ATOM 155 C LEU A 184 4.497 -1.444 0.905 1.00 0.00 C ATOM 156 O LEU A 184 4.263 -0.525 1.665 1.00 0.00 O ATOM 157 CB LEU A 184 3.073 -3.505 0.857 1.00 0.00 C ATOM 158 CG LEU A 184 1.890 -4.190 0.169 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.669 -5.564 0.806 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.620 -3.328 0.306 1.00 0.00 C ATOM 0 H LEU A 184 3.807 -3.347 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 184 2.461 -1.565 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.952 -4.148 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.848 -3.344 1.911 1.00 0.00 H new ATOM 0 HG LEU A 184 2.107 -4.311 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.827 -6.059 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.566 -6.171 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.456 -5.443 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.214 -3.827 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.386 -3.190 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.788 -2.356 -0.159 1.00 0.00 H new ATOM 172 N ASP A 185 5.721 -1.819 0.662 1.00 0.00 N ATOM 173 CA ASP A 185 6.837 -1.107 1.339 1.00 0.00 C ATOM 174 C ASP A 185 6.713 0.383 1.023 1.00 0.00 C ATOM 175 O ASP A 185 6.849 1.227 1.884 1.00 0.00 O ATOM 176 CB ASP A 185 8.175 -1.633 0.822 1.00 0.00 C ATOM 177 CG ASP A 185 8.393 -3.052 1.345 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.554 -3.516 2.103 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.396 -3.649 0.991 1.00 0.00 O ATOM 0 H ASP A 185 5.994 -2.575 0.034 1.00 0.00 H new ATOM 0 HA ASP A 185 6.790 -1.270 2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.184 -1.629 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.986 -0.983 1.150 1.00 0.00 H new ATOM 184 N MET A 186 6.436 0.711 -0.211 1.00 0.00 N ATOM 185 CA MET A 186 6.281 2.144 -0.579 1.00 0.00 C ATOM 186 C MET A 186 5.110 2.726 0.207 1.00 0.00 C ATOM 187 O MET A 186 5.154 3.848 0.672 1.00 0.00 O ATOM 188 CB MET A 186 6.007 2.253 -2.087 1.00 0.00 C ATOM 189 CG MET A 186 7.212 1.715 -2.860 1.00 0.00 C ATOM 190 SD MET A 186 8.599 2.865 -2.685 1.00 0.00 S ATOM 191 CE MET A 186 9.577 2.279 -4.091 1.00 0.00 C ATOM 0 H MET A 186 6.311 0.049 -0.977 1.00 0.00 H new ATOM 0 HA MET A 186 7.191 2.696 -0.342 1.00 0.00 H new ATOM 0 HB2 MET A 186 5.112 1.688 -2.347 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.819 3.291 -2.360 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.491 0.731 -2.482 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.958 1.592 -3.913 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.633 2.269 -3.821 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.261 1.271 -4.359 1.00 0.00 H new ATOM 0 HE3 MET A 186 9.427 2.944 -4.941 1.00 0.00 H new ATOM 201 N LEU A 187 4.058 1.975 0.359 1.00 0.00 N ATOM 202 CA LEU A 187 2.889 2.493 1.115 1.00 0.00 C ATOM 203 C LEU A 187 3.272 2.747 2.574 1.00 0.00 C ATOM 204 O LEU A 187 2.957 3.780 3.133 1.00 0.00 O ATOM 205 CB LEU A 187 1.764 1.454 1.090 1.00 0.00 C ATOM 206 CG LEU A 187 1.245 1.207 -0.333 1.00 0.00 C ATOM 207 CD1 LEU A 187 0.041 0.259 -0.251 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.816 2.530 -0.994 1.00 0.00 C ATOM 0 H LEU A 187 3.958 1.028 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 187 2.562 3.424 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 187 2.126 0.517 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.943 1.792 1.722 1.00 0.00 H new ATOM 0 HG LEU A 187 2.039 0.767 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.343 0.071 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.350 -0.683 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.740 0.715 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.451 2.332 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 187 0.023 2.990 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.670 3.206 -1.043 1.00 0.00 H new ATOM 220 N PHE A 188 3.943 1.820 3.204 1.00 0.00 N ATOM 221 CA PHE A 188 4.317 2.036 4.629 1.00 0.00 C ATOM 222 C PHE A 188 5.168 3.293 4.742 1.00 0.00 C ATOM 223 O PHE A 188 4.999 4.082 5.648 1.00 0.00 O ATOM 224 CB PHE A 188 5.085 0.822 5.165 1.00 0.00 C ATOM 225 CG PHE A 188 4.105 -0.295 5.433 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.233 -0.200 6.523 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.044 -1.402 4.583 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.303 -1.215 6.766 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.107 -2.416 4.825 1.00 0.00 C ATOM 230 CZ PHE A 188 2.238 -2.322 5.917 1.00 0.00 C ATOM 0 H PHE A 188 4.245 0.934 2.799 1.00 0.00 H new ATOM 0 HA PHE A 188 3.413 2.160 5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.835 0.501 4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.616 1.085 6.080 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.278 0.658 7.177 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.717 -1.476 3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 188 1.634 -1.143 7.611 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.056 -3.271 4.167 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.518 -3.105 6.103 1.00 0.00 H new ATOM 240 N SER A 189 6.058 3.507 3.817 1.00 0.00 N ATOM 241 CA SER A 189 6.891 4.738 3.871 1.00 0.00 C ATOM 242 C SER A 189 5.969 5.943 3.713 1.00 0.00 C ATOM 243 O SER A 189 6.049 6.914 4.441 1.00 0.00 O ATOM 244 CB SER A 189 7.902 4.707 2.723 1.00 0.00 C ATOM 245 OG SER A 189 7.200 4.658 1.487 1.00 0.00 O ATOM 0 H SER A 189 6.245 2.886 3.029 1.00 0.00 H new ATOM 0 HA SER A 189 7.427 4.800 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.539 5.591 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.555 3.839 2.820 1.00 0.00 H new ATOM 0 HG SER A 189 6.412 4.083 1.581 1.00 0.00 H new ATOM 251 N ALA A 190 5.078 5.873 2.769 1.00 0.00 N ATOM 252 CA ALA A 190 4.131 6.996 2.550 1.00 0.00 C ATOM 253 C ALA A 190 3.247 7.158 3.785 1.00 0.00 C ATOM 254 O ALA A 190 3.094 8.241 4.308 1.00 0.00 O ATOM 255 CB ALA A 190 3.263 6.683 1.334 1.00 0.00 C ATOM 0 H ALA A 190 4.964 5.081 2.136 1.00 0.00 H new ATOM 0 HA ALA A 190 4.682 7.920 2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.564 7.502 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.897 6.560 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.707 5.762 1.511 1.00 0.00 H new ATOM 261 N PHE A 191 2.673 6.080 4.258 1.00 0.00 N ATOM 262 CA PHE A 191 1.797 6.154 5.467 1.00 0.00 C ATOM 263 C PHE A 191 2.631 6.495 6.707 1.00 0.00 C ATOM 264 O PHE A 191 2.108 6.964 7.703 1.00 0.00 O ATOM 265 CB PHE A 191 1.069 4.814 5.669 1.00 0.00 C ATOM 266 CG PHE A 191 -0.130 4.748 4.749 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.221 5.591 4.981 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.147 3.863 3.668 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.334 5.549 4.138 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.260 3.818 2.819 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.355 4.662 3.053 1.00 0.00 C ATOM 0 H PHE A 191 2.774 5.148 3.857 1.00 0.00 H new ATOM 0 HA PHE A 191 1.057 6.940 5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.746 3.985 5.462 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.751 4.714 6.707 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.203 6.277 5.815 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.697 3.214 3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.177 6.199 4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.275 3.133 1.984 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.213 4.629 2.398 1.00 0.00 H new ATOM 281 N GLU A 192 3.918 6.275 6.659 1.00 0.00 N ATOM 282 CA GLU A 192 4.781 6.603 7.836 1.00 0.00 C ATOM 283 C GLU A 192 4.828 8.120 7.987 1.00 0.00 C ATOM 284 O GLU A 192 5.027 8.645 9.066 1.00 0.00 O ATOM 285 CB GLU A 192 6.203 6.066 7.619 1.00 0.00 C ATOM 286 CG GLU A 192 7.054 6.316 8.870 1.00 0.00 C ATOM 287 CD GLU A 192 8.465 5.759 8.650 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.719 5.256 7.566 1.00 0.00 O ATOM 289 OE2 GLU A 192 9.267 5.847 9.568 1.00 0.00 O ATOM 0 H GLU A 192 4.411 5.883 5.857 1.00 0.00 H new ATOM 0 HA GLU A 192 4.369 6.142 8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.168 4.999 7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.657 6.554 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 192 7.102 7.384 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 192 6.595 5.840 9.736 1.00 0.00 H new ATOM 296 N LYS A 193 4.650 8.833 6.906 1.00 0.00 N ATOM 297 CA LYS A 193 4.686 10.324 6.982 1.00 0.00 C ATOM 298 C LYS A 193 3.299 10.844 7.382 1.00 0.00 C ATOM 299 O LYS A 193 3.181 11.823 8.093 1.00 0.00 O ATOM 300 CB LYS A 193 5.062 10.898 5.614 1.00 0.00 C ATOM 301 CG LYS A 193 6.342 10.239 5.090 1.00 0.00 C ATOM 302 CD LYS A 193 7.505 10.512 6.044 1.00 0.00 C ATOM 303 CE LYS A 193 8.831 10.220 5.337 1.00 0.00 C ATOM 304 NZ LYS A 193 9.076 11.256 4.294 1.00 0.00 N ATOM 0 H LYS A 193 4.482 8.449 5.976 1.00 0.00 H new ATOM 0 HA LYS A 193 5.424 10.632 7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.247 10.736 4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.206 11.976 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 193 6.191 9.164 4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.578 10.624 4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 193 7.480 11.550 6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 193 7.412 9.890 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 193 9.647 10.216 6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.803 9.230 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 10.099 11.344 4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 8.603 10.978 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 8.698 12.170 4.617 1.00 0.00 H new ATOM 318 N HIS A 194 2.247 10.190 6.943 1.00 0.00 N ATOM 319 CA HIS A 194 0.863 10.645 7.313 1.00 0.00 C ATOM 320 C HIS A 194 -0.106 9.455 7.337 1.00 0.00 C ATOM 321 O HIS A 194 -0.022 8.546 6.543 1.00 0.00 O ATOM 322 CB HIS A 194 0.364 11.688 6.312 1.00 0.00 C ATOM 323 CG HIS A 194 1.166 12.940 6.482 1.00 0.00 C ATOM 324 ND1 HIS A 194 1.988 13.434 5.485 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.293 13.803 7.538 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.572 14.550 5.960 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.182 14.819 7.208 1.00 0.00 N ATOM 0 H HIS A 194 2.285 9.364 6.346 1.00 0.00 H new ATOM 0 HA HIS A 194 0.904 11.090 8.307 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.463 11.312 5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.694 11.892 6.475 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.780 13.708 8.484 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.271 15.154 5.400 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.474 15.602 7.793 1.00 0.00 H new ATOM 335 N GLN A 195 -1.019 9.454 8.263 1.00 0.00 N ATOM 336 CA GLN A 195 -1.994 8.328 8.369 1.00 0.00 C ATOM 337 C GLN A 195 -2.953 8.305 7.165 1.00 0.00 C ATOM 338 O GLN A 195 -3.551 7.289 6.875 1.00 0.00 O ATOM 339 CB GLN A 195 -2.793 8.478 9.676 1.00 0.00 C ATOM 340 CG GLN A 195 -3.702 7.259 9.900 1.00 0.00 C ATOM 341 CD GLN A 195 -2.852 5.999 10.092 1.00 0.00 C ATOM 342 OE1 GLN A 195 -2.273 5.794 11.143 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.767 5.134 9.120 1.00 0.00 N ATOM 0 H GLN A 195 -1.136 10.190 8.959 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.444 7.387 8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -2.108 8.586 10.517 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.396 9.385 9.637 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.331 7.420 10.776 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.369 7.131 9.048 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -3.253 5.307 8.240 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -2.215 4.285 9.240 1.00 0.00 H new ATOM 352 N TYR A 196 -3.151 9.420 6.489 1.00 0.00 N ATOM 353 CA TYR A 196 -4.134 9.449 5.346 1.00 0.00 C ATOM 354 C TYR A 196 -3.496 9.854 4.004 1.00 0.00 C ATOM 355 O TYR A 196 -2.696 10.764 3.925 1.00 0.00 O ATOM 356 CB TYR A 196 -5.204 10.473 5.705 1.00 0.00 C ATOM 357 CG TYR A 196 -5.918 10.014 6.953 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.880 9.000 6.879 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.612 10.600 8.189 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.538 8.572 8.039 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.270 10.172 9.348 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.232 9.158 9.274 1.00 0.00 C ATOM 363 OH TYR A 196 -7.884 8.742 10.419 1.00 0.00 O ATOM 0 H TYR A 196 -2.679 10.305 6.677 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.534 8.444 5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.751 11.451 5.868 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.912 10.582 4.884 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.115 8.547 5.927 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.869 11.381 8.247 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.281 7.790 7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -6.035 10.625 10.300 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.552 9.251 11.188 1.00 0.00 H new ATOM 373 N TYR A 197 -3.900 9.187 2.939 1.00 0.00 N ATOM 374 CA TYR A 197 -3.397 9.509 1.558 1.00 0.00 C ATOM 375 C TYR A 197 -4.521 9.269 0.534 1.00 0.00 C ATOM 376 O TYR A 197 -5.203 8.266 0.584 1.00 0.00 O ATOM 377 CB TYR A 197 -2.189 8.620 1.212 1.00 0.00 C ATOM 378 CG TYR A 197 -0.928 9.217 1.783 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.198 10.152 1.033 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.496 8.851 3.056 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.969 10.714 1.562 1.00 0.00 C ATOM 382 CE2 TYR A 197 0.668 9.413 3.582 1.00 0.00 C ATOM 383 CZ TYR A 197 1.399 10.344 2.840 1.00 0.00 C ATOM 384 OH TYR A 197 2.546 10.892 3.367 1.00 0.00 O ATOM 0 H TYR A 197 -4.570 8.419 2.972 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.089 10.554 1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.339 7.617 1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.097 8.522 0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -0.537 10.438 0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -1.060 8.134 3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 197 1.535 11.431 0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.005 9.127 4.567 1.00 0.00 H new ATOM 0 HH TYR A 197 2.309 11.615 3.985 1.00 0.00 H new ATOM 394 N ASN A 198 -4.715 10.178 -0.402 1.00 0.00 N ATOM 395 CA ASN A 198 -5.793 9.977 -1.430 1.00 0.00 C ATOM 396 C ASN A 198 -5.221 9.240 -2.650 1.00 0.00 C ATOM 397 O ASN A 198 -4.022 9.107 -2.797 1.00 0.00 O ATOM 398 CB ASN A 198 -6.384 11.330 -1.863 1.00 0.00 C ATOM 399 CG ASN A 198 -5.369 12.127 -2.672 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.179 11.932 -2.546 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.804 13.032 -3.506 1.00 0.00 N ATOM 0 H ASN A 198 -4.179 11.041 -0.497 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.588 9.376 -0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.283 11.166 -2.458 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.683 11.900 -0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.142 13.579 -4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.806 13.192 -3.608 1.00 0.00 H new ATOM 408 N LEU A 199 -6.067 8.750 -3.522 1.00 0.00 N ATOM 409 CA LEU A 199 -5.564 8.008 -4.721 1.00 0.00 C ATOM 410 C LEU A 199 -4.618 8.901 -5.542 1.00 0.00 C ATOM 411 O LEU A 199 -3.585 8.461 -6.005 1.00 0.00 O ATOM 412 CB LEU A 199 -6.745 7.593 -5.605 1.00 0.00 C ATOM 413 CG LEU A 199 -7.624 6.563 -4.880 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.841 6.262 -5.754 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.836 5.262 -4.627 1.00 0.00 C ATOM 0 H LEU A 199 -7.082 8.831 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.024 7.124 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.339 8.470 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.376 7.171 -6.540 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.938 6.968 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.477 5.531 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.405 7.180 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.511 5.860 -6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.475 4.544 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.512 4.842 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.964 5.479 -4.010 1.00 0.00 H new ATOM 427 N LYS A 200 -4.972 10.145 -5.739 1.00 0.00 N ATOM 428 CA LYS A 200 -4.104 11.061 -6.547 1.00 0.00 C ATOM 429 C LYS A 200 -2.710 11.169 -5.920 1.00 0.00 C ATOM 430 O LYS A 200 -1.705 11.195 -6.607 1.00 0.00 O ATOM 431 CB LYS A 200 -4.746 12.450 -6.594 1.00 0.00 C ATOM 432 CG LYS A 200 -4.008 13.356 -7.604 1.00 0.00 C ATOM 433 CD LYS A 200 -4.616 13.193 -9.001 1.00 0.00 C ATOM 434 CE LYS A 200 -3.884 14.113 -9.982 1.00 0.00 C ATOM 435 NZ LYS A 200 -4.563 14.081 -11.308 1.00 0.00 N ATOM 0 H LYS A 200 -5.826 10.569 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 200 -4.006 10.658 -7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.795 12.362 -6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.718 12.903 -5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -4.077 14.397 -7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -2.949 13.100 -7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -4.534 12.156 -9.327 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -5.678 13.437 -8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -3.868 15.132 -9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -2.846 13.796 -10.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -4.062 14.707 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -4.556 13.109 -11.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -5.546 14.404 -11.203 1.00 0.00 H new ATOM 449 N ASP A 201 -2.621 11.246 -4.627 1.00 0.00 N ATOM 450 CA ASP A 201 -1.271 11.352 -4.010 1.00 0.00 C ATOM 451 C ASP A 201 -0.533 10.021 -4.172 1.00 0.00 C ATOM 452 O ASP A 201 0.652 9.985 -4.428 1.00 0.00 O ATOM 453 CB ASP A 201 -1.383 11.691 -2.525 1.00 0.00 C ATOM 454 CG ASP A 201 -1.872 13.132 -2.366 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.850 13.853 -3.349 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.262 13.489 -1.268 1.00 0.00 O ATOM 0 H ASP A 201 -3.408 11.241 -3.978 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.719 12.148 -4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.074 11.005 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.415 11.568 -2.039 1.00 0.00 H new ATOM 461 N LEU A 202 -1.235 8.929 -4.007 1.00 0.00 N ATOM 462 CA LEU A 202 -0.598 7.585 -4.129 1.00 0.00 C ATOM 463 C LEU A 202 -0.006 7.381 -5.536 1.00 0.00 C ATOM 464 O LEU A 202 1.052 6.804 -5.686 1.00 0.00 O ATOM 465 CB LEU A 202 -1.653 6.499 -3.840 1.00 0.00 C ATOM 466 CG LEU A 202 -2.012 6.466 -2.335 1.00 0.00 C ATOM 467 CD1 LEU A 202 -3.342 5.717 -2.138 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.911 5.747 -1.530 1.00 0.00 C ATOM 0 H LEU A 202 -2.232 8.912 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 202 0.216 7.514 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.550 6.692 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.273 5.525 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.102 7.493 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.593 5.695 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -4.132 6.228 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -3.244 4.697 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -1.182 5.734 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.806 4.724 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.035 6.274 -1.656 1.00 0.00 H new ATOM 480 N VAL A 203 -0.666 7.835 -6.570 1.00 0.00 N ATOM 481 CA VAL A 203 -0.102 7.631 -7.942 1.00 0.00 C ATOM 482 C VAL A 203 1.205 8.409 -8.103 1.00 0.00 C ATOM 483 O VAL A 203 2.139 7.943 -8.730 1.00 0.00 O ATOM 484 CB VAL A 203 -1.100 8.060 -9.019 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.224 7.025 -9.119 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.689 9.413 -8.656 1.00 0.00 C ATOM 0 H VAL A 203 -1.557 8.330 -6.529 1.00 0.00 H new ATOM 0 HA VAL A 203 0.099 6.567 -8.065 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.587 8.132 -9.978 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.934 7.332 -9.887 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.803 6.055 -9.382 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.736 6.950 -8.160 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.400 9.718 -9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.200 9.342 -7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.890 10.151 -8.588 1.00 0.00 H new ATOM 496 N ASP A 204 1.289 9.582 -7.534 1.00 0.00 N ATOM 497 CA ASP A 204 2.549 10.369 -7.655 1.00 0.00 C ATOM 498 C ASP A 204 3.674 9.543 -7.026 1.00 0.00 C ATOM 499 O ASP A 204 4.761 9.437 -7.560 1.00 0.00 O ATOM 500 CB ASP A 204 2.383 11.693 -6.898 1.00 0.00 C ATOM 501 CG ASP A 204 3.597 12.593 -7.139 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.481 12.179 -7.868 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.621 13.679 -6.587 1.00 0.00 O ATOM 0 H ASP A 204 0.546 10.026 -6.995 1.00 0.00 H new ATOM 0 HA ASP A 204 2.780 10.585 -8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.475 12.198 -7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.270 11.499 -5.831 1.00 0.00 H new ATOM 508 N ILE A 205 3.399 8.947 -5.897 1.00 0.00 N ATOM 509 CA ILE A 205 4.415 8.102 -5.203 1.00 0.00 C ATOM 510 C ILE A 205 4.681 6.843 -6.036 1.00 0.00 C ATOM 511 O ILE A 205 5.753 6.270 -6.003 1.00 0.00 O ATOM 512 CB ILE A 205 3.876 7.699 -3.828 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.496 8.960 -3.049 1.00 0.00 C ATOM 514 CG2 ILE A 205 4.960 6.938 -3.062 1.00 0.00 C ATOM 515 CD1 ILE A 205 2.814 8.569 -1.739 1.00 0.00 C ATOM 0 H ILE A 205 2.500 9.011 -5.419 1.00 0.00 H new ATOM 0 HA ILE A 205 5.343 8.662 -5.084 1.00 0.00 H new ATOM 0 HB ILE A 205 2.999 7.062 -3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.386 9.554 -2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.829 9.581 -3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.579 6.650 -2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.240 6.044 -3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 205 5.834 7.577 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 205 2.545 9.469 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 205 1.914 7.993 -1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 205 3.496 7.966 -1.140 1.00 0.00 H new ATOM 527 N THR A 206 3.694 6.409 -6.777 1.00 0.00 N ATOM 528 CA THR A 206 3.836 5.188 -7.624 1.00 0.00 C ATOM 529 C THR A 206 3.047 5.388 -8.918 1.00 0.00 C ATOM 530 O THR A 206 1.843 5.478 -8.911 1.00 0.00 O ATOM 531 CB THR A 206 3.262 3.983 -6.876 1.00 0.00 C ATOM 532 OG1 THR A 206 1.956 4.299 -6.412 1.00 0.00 O ATOM 533 CG2 THR A 206 4.158 3.624 -5.690 1.00 0.00 C ATOM 0 H THR A 206 2.780 6.858 -6.831 1.00 0.00 H new ATOM 0 HA THR A 206 4.889 5.016 -7.848 1.00 0.00 H new ATOM 0 HB THR A 206 3.215 3.129 -7.552 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.489 4.833 -7.088 1.00 0.00 H new ATOM 0 HG21 THR A 206 3.740 2.765 -5.165 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.157 3.378 -6.050 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.217 4.473 -5.008 1.00 0.00 H new ATOM 541 N LYS A 207 3.713 5.455 -10.028 1.00 0.00 N ATOM 542 CA LYS A 207 2.995 5.655 -11.322 1.00 0.00 C ATOM 543 C LYS A 207 2.392 4.333 -11.799 1.00 0.00 C ATOM 544 O LYS A 207 2.188 4.129 -12.981 1.00 0.00 O ATOM 545 CB LYS A 207 3.970 6.169 -12.380 1.00 0.00 C ATOM 546 CG LYS A 207 4.456 7.567 -12.002 1.00 0.00 C ATOM 547 CD LYS A 207 5.384 8.090 -13.103 1.00 0.00 C ATOM 548 CE LYS A 207 5.762 9.541 -12.811 1.00 0.00 C ATOM 549 NZ LYS A 207 4.574 10.414 -13.027 1.00 0.00 N ATOM 0 H LYS A 207 4.728 5.380 -10.102 1.00 0.00 H new ATOM 0 HA LYS A 207 2.198 6.383 -11.170 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.818 5.490 -12.466 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.483 6.195 -13.355 1.00 0.00 H new ATOM 0 HG2 LYS A 207 3.607 8.239 -11.875 1.00 0.00 H new ATOM 0 HG3 LYS A 207 4.983 7.537 -11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 207 6.282 7.474 -13.158 1.00 0.00 H new ATOM 0 HD3 LYS A 207 4.890 8.021 -14.072 1.00 0.00 H new ATOM 0 HE2 LYS A 207 6.116 9.637 -11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 207 6.580 9.853 -13.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 4.885 11.399 -13.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 4.066 10.104 -13.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 3.941 10.349 -12.204 1.00 0.00 H new ATOM 563 N GLN A 208 2.106 3.429 -10.905 1.00 0.00 N ATOM 564 CA GLN A 208 1.521 2.127 -11.337 1.00 0.00 C ATOM 565 C GLN A 208 0.001 2.297 -11.505 1.00 0.00 C ATOM 566 O GLN A 208 -0.610 3.074 -10.799 1.00 0.00 O ATOM 567 CB GLN A 208 1.802 1.078 -10.257 1.00 0.00 C ATOM 568 CG GLN A 208 3.318 0.878 -10.134 1.00 0.00 C ATOM 569 CD GLN A 208 3.653 0.217 -8.798 1.00 0.00 C ATOM 570 OE1 GLN A 208 3.409 -0.960 -8.609 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.204 0.934 -7.855 1.00 0.00 N ATOM 0 H GLN A 208 2.250 3.532 -9.901 1.00 0.00 H new ATOM 0 HA GLN A 208 1.961 1.808 -12.282 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.387 1.401 -9.302 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.318 0.136 -10.513 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.679 0.259 -10.956 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.827 1.839 -10.211 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.407 1.920 -8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 208 4.431 0.507 -6.957 1.00 0.00 H new ATOM 580 N PRO A 209 -0.613 1.586 -12.428 1.00 0.00 N ATOM 581 CA PRO A 209 -2.085 1.681 -12.662 1.00 0.00 C ATOM 582 C PRO A 209 -2.889 1.780 -11.356 1.00 0.00 C ATOM 583 O PRO A 209 -2.700 1.001 -10.444 1.00 0.00 O ATOM 584 CB PRO A 209 -2.410 0.373 -13.392 1.00 0.00 C ATOM 585 CG PRO A 209 -1.161 0.026 -14.144 1.00 0.00 C ATOM 586 CD PRO A 209 0.017 0.617 -13.351 1.00 0.00 C ATOM 0 HA PRO A 209 -2.349 2.579 -13.221 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.679 -0.415 -12.688 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.256 0.498 -14.068 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.057 -1.055 -14.242 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.191 0.436 -15.153 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.558 -0.157 -12.807 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.735 1.105 -14.010 1.00 0.00 H new ATOM 594 N VAL A 210 -3.791 2.723 -11.266 1.00 0.00 N ATOM 595 CA VAL A 210 -4.611 2.855 -10.032 1.00 0.00 C ATOM 596 C VAL A 210 -5.367 1.554 -9.796 1.00 0.00 C ATOM 597 O VAL A 210 -5.405 1.027 -8.702 1.00 0.00 O ATOM 598 CB VAL A 210 -5.609 4.002 -10.206 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.839 5.308 -10.425 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.525 3.726 -11.410 1.00 0.00 C ATOM 0 H VAL A 210 -3.993 3.406 -11.996 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.965 3.064 -9.179 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.225 4.086 -9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.544 6.130 -10.550 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.202 5.504 -9.562 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.222 5.221 -11.319 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.232 4.548 -11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.922 3.637 -12.313 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -7.072 2.798 -11.246 1.00 0.00 H new ATOM 610 N VAL A 211 -5.966 1.032 -10.825 1.00 0.00 N ATOM 611 CA VAL A 211 -6.730 -0.228 -10.684 1.00 0.00 C ATOM 612 C VAL A 211 -5.866 -1.269 -9.989 1.00 0.00 C ATOM 613 O VAL A 211 -6.341 -2.046 -9.188 1.00 0.00 O ATOM 614 CB VAL A 211 -7.132 -0.737 -12.067 1.00 0.00 C ATOM 615 CG1 VAL A 211 -7.954 0.333 -12.788 1.00 0.00 C ATOM 616 CG2 VAL A 211 -5.877 -1.062 -12.883 1.00 0.00 C ATOM 0 H VAL A 211 -5.958 1.429 -11.764 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.626 -0.046 -10.091 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.732 -1.640 -11.958 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.240 -0.031 -13.775 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -8.850 0.555 -12.209 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -7.358 1.239 -12.895 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -6.168 -1.425 -13.869 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -5.271 -0.163 -12.992 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -5.298 -1.830 -12.370 1.00 0.00 H new ATOM 626 N TYR A 212 -4.595 -1.291 -10.284 1.00 0.00 N ATOM 627 CA TYR A 212 -3.707 -2.288 -9.618 1.00 0.00 C ATOM 628 C TYR A 212 -3.524 -1.860 -8.159 1.00 0.00 C ATOM 629 O TYR A 212 -3.633 -2.653 -7.246 1.00 0.00 O ATOM 630 CB TYR A 212 -2.348 -2.335 -10.340 1.00 0.00 C ATOM 631 CG TYR A 212 -1.477 -3.420 -9.739 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.700 -4.763 -10.074 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.451 -3.084 -8.845 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.901 -5.770 -9.518 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.352 -4.093 -8.289 1.00 0.00 C ATOM 636 CZ TYR A 212 0.124 -5.434 -8.626 1.00 0.00 C ATOM 637 OH TYR A 212 0.908 -6.428 -8.071 1.00 0.00 O ATOM 0 H TYR A 212 -4.136 -0.669 -10.950 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.149 -3.284 -9.659 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.498 -2.525 -11.403 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.849 -1.369 -10.256 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.490 -5.022 -10.763 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.278 -2.050 -8.584 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -1.075 -6.804 -9.777 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.145 -3.836 -7.602 1.00 0.00 H new ATOM 0 HH TYR A 212 1.845 -6.280 -8.315 1.00 0.00 H new ATOM 647 N LEU A 213 -3.270 -0.596 -7.943 1.00 0.00 N ATOM 648 CA LEU A 213 -3.098 -0.080 -6.556 1.00 0.00 C ATOM 649 C LEU A 213 -4.426 -0.187 -5.798 1.00 0.00 C ATOM 650 O LEU A 213 -4.466 -0.564 -4.644 1.00 0.00 O ATOM 651 CB LEU A 213 -2.669 1.388 -6.613 1.00 0.00 C ATOM 652 CG LEU A 213 -1.277 1.511 -7.254 1.00 0.00 C ATOM 653 CD1 LEU A 213 -0.928 2.995 -7.400 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.220 0.813 -6.374 1.00 0.00 C ATOM 0 H LEU A 213 -3.174 0.106 -8.676 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.338 -0.669 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.394 1.964 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.653 1.809 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.286 1.032 -8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.058 3.094 -7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.669 3.483 -8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -0.924 3.466 -6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.761 0.908 -6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.201 1.280 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.472 -0.242 -6.271 1.00 0.00 H new ATOM 666 N LYS A 214 -5.512 0.147 -6.436 1.00 0.00 N ATOM 667 CA LYS A 214 -6.832 0.068 -5.748 1.00 0.00 C ATOM 668 C LYS A 214 -7.100 -1.366 -5.305 1.00 0.00 C ATOM 669 O LYS A 214 -7.654 -1.601 -4.249 1.00 0.00 O ATOM 670 CB LYS A 214 -7.943 0.524 -6.695 1.00 0.00 C ATOM 671 CG LYS A 214 -7.835 2.039 -6.931 1.00 0.00 C ATOM 672 CD LYS A 214 -9.169 2.575 -7.460 1.00 0.00 C ATOM 673 CE LYS A 214 -9.460 1.987 -8.843 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.484 2.825 -9.523 1.00 0.00 N ATOM 0 H LYS A 214 -5.544 0.471 -7.403 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.814 0.720 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.866 -0.008 -7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.917 0.281 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.572 2.544 -6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.039 2.250 -7.645 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -9.973 2.317 -6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.135 3.663 -7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -8.547 1.954 -9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -9.816 0.961 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.686 2.431 -10.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -11.356 2.835 -8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -10.126 3.796 -9.624 1.00 0.00 H new ATOM 688 N GLU A 215 -6.721 -2.326 -6.103 1.00 0.00 N ATOM 689 CA GLU A 215 -6.957 -3.746 -5.719 1.00 0.00 C ATOM 690 C GLU A 215 -6.141 -4.067 -4.470 1.00 0.00 C ATOM 691 O GLU A 215 -6.609 -4.736 -3.567 1.00 0.00 O ATOM 692 CB GLU A 215 -6.536 -4.663 -6.870 1.00 0.00 C ATOM 693 CG GLU A 215 -7.566 -4.565 -7.999 1.00 0.00 C ATOM 694 CD GLU A 215 -8.816 -5.358 -7.616 1.00 0.00 C ATOM 695 OE1 GLU A 215 -8.812 -5.955 -6.551 1.00 0.00 O ATOM 696 OE2 GLU A 215 -9.756 -5.357 -8.394 1.00 0.00 O ATOM 0 H GLU A 215 -6.259 -2.189 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 215 -8.015 -3.903 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.550 -4.377 -7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.460 -5.693 -6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -7.825 -3.522 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.144 -4.955 -8.926 1.00 0.00 H new ATOM 703 N ILE A 216 -4.933 -3.582 -4.397 1.00 0.00 N ATOM 704 CA ILE A 216 -4.095 -3.848 -3.192 1.00 0.00 C ATOM 705 C ILE A 216 -4.710 -3.118 -2.009 1.00 0.00 C ATOM 706 O ILE A 216 -4.818 -3.650 -0.926 1.00 0.00 O ATOM 707 CB ILE A 216 -2.679 -3.315 -3.435 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.027 -4.125 -4.550 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.840 -3.410 -2.153 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.735 -3.436 -4.978 1.00 0.00 C ATOM 0 H ILE A 216 -4.489 -3.013 -5.118 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.050 -4.919 -2.992 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.735 -2.266 -3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.817 -5.138 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.706 -4.211 -5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.838 -3.027 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.310 -2.820 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.776 -4.451 -1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.263 -4.010 -5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.960 -2.432 -5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.057 -3.373 -4.127 1.00 0.00 H new ATOM 722 N LEU A 217 -5.120 -1.907 -2.216 1.00 0.00 N ATOM 723 CA LEU A 217 -5.743 -1.133 -1.112 1.00 0.00 C ATOM 724 C LEU A 217 -7.111 -1.733 -0.807 1.00 0.00 C ATOM 725 O LEU A 217 -7.589 -1.710 0.302 1.00 0.00 O ATOM 726 CB LEU A 217 -5.907 0.311 -1.561 1.00 0.00 C ATOM 727 CG LEU A 217 -4.531 0.905 -1.888 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.724 2.207 -2.664 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.743 1.185 -0.595 1.00 0.00 C ATOM 0 H LEU A 217 -5.052 -1.414 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.119 -1.170 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.553 0.359 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.390 0.894 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 217 -3.967 0.192 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.751 2.637 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.265 2.003 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.294 2.911 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.769 1.606 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.296 1.893 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.605 0.254 -0.044 1.00 0.00 H new ATOM 741 N LYS A 218 -7.755 -2.268 -1.787 1.00 0.00 N ATOM 742 CA LYS A 218 -9.088 -2.863 -1.540 1.00 0.00 C ATOM 743 C LYS A 218 -8.975 -4.023 -0.549 1.00 0.00 C ATOM 744 O LYS A 218 -9.839 -4.223 0.281 1.00 0.00 O ATOM 745 CB LYS A 218 -9.655 -3.369 -2.855 1.00 0.00 C ATOM 746 CG LYS A 218 -11.060 -3.915 -2.631 1.00 0.00 C ATOM 747 CD LYS A 218 -11.691 -4.233 -3.983 1.00 0.00 C ATOM 748 CE LYS A 218 -12.935 -5.090 -3.785 1.00 0.00 C ATOM 749 NZ LYS A 218 -13.541 -5.370 -5.115 1.00 0.00 N ATOM 0 H LYS A 218 -7.421 -2.322 -2.749 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.748 -2.106 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.680 -2.561 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -9.012 -4.149 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.021 -4.812 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -11.666 -3.185 -2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -11.953 -3.309 -4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -10.974 -4.757 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -12.675 -6.023 -3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -13.651 -4.574 -3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -14.392 -5.955 -4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -13.800 -4.474 -5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -12.855 -5.877 -5.709 1.00 0.00 H new ATOM 763 N GLU A 219 -7.936 -4.809 -0.645 1.00 0.00 N ATOM 764 CA GLU A 219 -7.804 -5.976 0.278 1.00 0.00 C ATOM 765 C GLU A 219 -7.354 -5.537 1.674 1.00 0.00 C ATOM 766 O GLU A 219 -7.882 -5.999 2.666 1.00 0.00 O ATOM 767 CB GLU A 219 -6.782 -6.963 -0.291 1.00 0.00 C ATOM 768 CG GLU A 219 -7.370 -7.634 -1.536 1.00 0.00 C ATOM 769 CD GLU A 219 -6.310 -8.509 -2.209 1.00 0.00 C ATOM 770 OE1 GLU A 219 -5.137 -8.304 -1.941 1.00 0.00 O ATOM 771 OE2 GLU A 219 -6.690 -9.369 -2.987 1.00 0.00 O ATOM 0 H GLU A 219 -7.177 -4.696 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.782 -6.450 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.859 -6.443 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.529 -7.715 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -8.232 -8.241 -1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -7.725 -6.876 -2.234 1.00 0.00 H new ATOM 778 N ILE A 220 -6.366 -4.680 1.767 1.00 0.00 N ATOM 779 CA ILE A 220 -5.863 -4.244 3.113 1.00 0.00 C ATOM 780 C ILE A 220 -6.133 -2.760 3.347 1.00 0.00 C ATOM 781 O ILE A 220 -6.000 -2.268 4.446 1.00 0.00 O ATOM 782 CB ILE A 220 -4.348 -4.493 3.180 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.615 -3.678 2.094 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.067 -5.978 2.954 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.100 -3.733 2.334 1.00 0.00 C ATOM 0 H ILE A 220 -5.885 -4.262 0.971 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.384 -4.815 3.882 1.00 0.00 H new ATOM 0 HB ILE A 220 -3.989 -4.184 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.850 -4.076 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -3.957 -2.643 2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -2.993 -6.156 3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.566 -6.564 3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.441 -6.274 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.588 -3.156 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.871 -3.314 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.763 -4.769 2.295 1.00 0.00 H new ATOM 797 N GLY A 221 -6.474 -2.038 2.323 1.00 0.00 N ATOM 798 CA GLY A 221 -6.707 -0.575 2.491 1.00 0.00 C ATOM 799 C GLY A 221 -8.127 -0.284 2.976 1.00 0.00 C ATOM 800 O GLY A 221 -8.927 -1.173 3.194 1.00 0.00 O ATOM 0 H GLY A 221 -6.603 -2.393 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -5.988 -0.171 3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.535 -0.067 1.542 1.00 0.00 H new ATOM 804 N VAL A 222 -8.427 0.978 3.138 1.00 0.00 N ATOM 805 CA VAL A 222 -9.776 1.415 3.600 1.00 0.00 C ATOM 806 C VAL A 222 -10.108 2.718 2.857 1.00 0.00 C ATOM 807 O VAL A 222 -9.309 3.203 2.094 1.00 0.00 O ATOM 808 CB VAL A 222 -9.731 1.658 5.118 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.102 2.148 5.618 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.346 0.350 5.834 1.00 0.00 C ATOM 0 H VAL A 222 -7.775 1.743 2.964 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.535 0.660 3.395 1.00 0.00 H new ATOM 0 HB VAL A 222 -8.987 2.424 5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.058 2.317 6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.361 3.080 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.859 1.395 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.314 0.520 6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.086 -0.419 5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.366 0.021 5.489 1.00 0.00 H new ATOM 820 N GLN A 223 -11.268 3.287 3.056 1.00 0.00 N ATOM 821 CA GLN A 223 -11.622 4.557 2.339 1.00 0.00 C ATOM 822 C GLN A 223 -12.451 5.450 3.264 1.00 0.00 C ATOM 823 O GLN A 223 -13.071 4.988 4.202 1.00 0.00 O ATOM 824 CB GLN A 223 -12.431 4.232 1.072 1.00 0.00 C ATOM 825 CG GLN A 223 -12.839 5.527 0.347 1.00 0.00 C ATOM 826 CD GLN A 223 -11.595 6.365 0.036 1.00 0.00 C ATOM 827 OE1 GLN A 223 -10.783 5.979 -0.780 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.403 7.496 0.662 1.00 0.00 N ATOM 0 H GLN A 223 -11.989 2.930 3.683 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.708 5.078 2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -11.838 3.606 0.405 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.321 3.661 1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.366 5.286 -0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.528 6.100 0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.084 7.821 1.348 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.572 8.053 0.465 1.00 0.00 H new ATOM 837 N ASN A 224 -12.455 6.733 3.012 1.00 0.00 N ATOM 838 CA ASN A 224 -13.230 7.671 3.869 1.00 0.00 C ATOM 839 C ASN A 224 -13.597 8.916 3.059 1.00 0.00 C ATOM 840 O ASN A 224 -12.740 9.664 2.622 1.00 0.00 O ATOM 841 CB ASN A 224 -12.372 8.115 5.059 1.00 0.00 C ATOM 842 CG ASN A 224 -11.637 6.920 5.646 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.192 6.151 6.410 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.399 6.729 5.306 1.00 0.00 N ATOM 0 H ASN A 224 -11.950 7.172 2.242 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.129 7.165 4.221 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.655 8.871 4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.002 8.575 5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.885 5.931 5.679 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -9.940 7.377 4.666 1.00 0.00 H new ATOM 851 N VAL A 225 -14.865 9.158 2.888 1.00 0.00 N ATOM 852 CA VAL A 225 -15.313 10.372 2.152 1.00 0.00 C ATOM 853 C VAL A 225 -15.644 11.431 3.205 1.00 0.00 C ATOM 854 O VAL A 225 -16.241 11.128 4.219 1.00 0.00 O ATOM 855 CB VAL A 225 -16.555 10.037 1.325 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.191 9.006 0.257 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.634 9.458 2.241 1.00 0.00 C ATOM 0 H VAL A 225 -15.618 8.561 3.230 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.542 10.735 1.472 1.00 0.00 H new ATOM 0 HB VAL A 225 -16.929 10.942 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.075 8.766 -0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.419 9.415 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.819 8.101 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.520 9.219 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.259 8.552 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.893 10.190 3.006 1.00 0.00 H new ATOM 867 N LYS A 226 -15.220 12.654 3.010 1.00 0.00 N ATOM 868 CA LYS A 226 -15.470 13.722 4.040 1.00 0.00 C ATOM 869 C LYS A 226 -16.150 14.940 3.397 1.00 0.00 C ATOM 870 O LYS A 226 -16.588 14.878 2.270 1.00 0.00 O ATOM 871 CB LYS A 226 -14.126 14.099 4.656 1.00 0.00 C ATOM 872 CG LYS A 226 -13.439 12.790 5.082 1.00 0.00 C ATOM 873 CD LYS A 226 -12.111 13.057 5.787 1.00 0.00 C ATOM 874 CE LYS A 226 -12.355 13.707 7.156 1.00 0.00 C ATOM 875 NZ LYS A 226 -11.126 13.590 7.988 1.00 0.00 N ATOM 0 H LYS A 226 -14.710 12.965 2.183 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.141 13.355 4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.511 14.640 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.267 14.757 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -14.099 12.231 5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -13.267 12.166 4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.564 12.123 5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.490 13.709 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -12.623 14.756 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -13.193 13.222 7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -11.291 14.030 8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -10.890 12.586 8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -10.337 14.072 7.512 1.00 0.00 H new ATOM 889 N GLY A 227 -16.263 16.028 4.128 1.00 0.00 N ATOM 890 CA GLY A 227 -16.937 17.270 3.601 1.00 0.00 C ATOM 891 C GLY A 227 -16.796 17.402 2.072 1.00 0.00 C ATOM 892 O GLY A 227 -17.736 17.163 1.343 1.00 0.00 O ATOM 0 H GLY A 227 -15.912 16.112 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -17.994 17.249 3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -16.505 18.148 4.082 1.00 0.00 H new ATOM 896 N ILE A 228 -15.647 17.779 1.571 1.00 0.00 N ATOM 897 CA ILE A 228 -15.506 17.911 0.086 1.00 0.00 C ATOM 898 C ILE A 228 -15.232 16.536 -0.508 1.00 0.00 C ATOM 899 O ILE A 228 -14.560 16.404 -1.511 1.00 0.00 O ATOM 900 CB ILE A 228 -14.364 18.877 -0.262 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.033 18.369 0.313 1.00 0.00 C ATOM 902 CG2 ILE A 228 -14.681 20.257 0.320 1.00 0.00 C ATOM 903 CD1 ILE A 228 -11.884 19.218 -0.239 1.00 0.00 C ATOM 0 H ILE A 228 -14.812 17.998 2.114 1.00 0.00 H new ATOM 0 HA ILE A 228 -16.429 18.314 -0.331 1.00 0.00 H new ATOM 0 HB ILE A 228 -14.271 18.941 -1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.050 18.424 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -12.886 17.322 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -13.874 20.948 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -15.615 20.625 -0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -14.780 20.181 1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -10.939 18.859 0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -11.864 19.141 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.031 20.259 0.048 1.00 0.00 H new ATOM 915 N HIS A 229 -15.737 15.512 0.123 1.00 0.00 N ATOM 916 CA HIS A 229 -15.509 14.126 -0.371 1.00 0.00 C ATOM 917 C HIS A 229 -14.004 13.854 -0.390 1.00 0.00 C ATOM 918 O HIS A 229 -13.476 13.341 -1.357 1.00 0.00 O ATOM 919 CB HIS A 229 -16.083 13.957 -1.790 1.00 0.00 C ATOM 920 CG HIS A 229 -17.540 14.330 -1.798 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.317 14.245 -2.943 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.370 14.812 -0.818 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.556 14.667 -2.626 1.00 0.00 C ATOM 924 NE2 HIS A 229 -19.642 15.024 -1.343 1.00 0.00 N ATOM 0 H HIS A 229 -16.304 15.578 0.969 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.012 13.420 0.290 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -15.534 14.585 -2.492 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -15.960 12.926 -2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.081 14.999 0.206 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.379 14.711 -3.324 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.464 15.377 -0.852 1.00 0.00 H new ATOM 932 N LYS A 230 -13.306 14.197 0.667 1.00 0.00 N ATOM 933 CA LYS A 230 -11.835 13.955 0.684 1.00 0.00 C ATOM 934 C LYS A 230 -11.599 12.458 0.567 1.00 0.00 C ATOM 935 O LYS A 230 -11.852 11.698 1.481 1.00 0.00 O ATOM 936 CB LYS A 230 -11.219 14.473 1.990 1.00 0.00 C ATOM 937 CG LYS A 230 -11.548 15.961 2.166 1.00 0.00 C ATOM 938 CD LYS A 230 -10.958 16.462 3.489 1.00 0.00 C ATOM 939 CE LYS A 230 -11.454 17.882 3.779 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.881 18.836 2.787 1.00 0.00 N ATOM 0 H LYS A 230 -13.689 14.629 1.508 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.367 14.483 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.605 13.903 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.139 14.329 1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.141 16.535 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.628 16.109 2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -11.246 15.794 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -9.869 16.451 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -12.543 17.911 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -11.166 18.177 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -10.174 19.439 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -10.428 18.305 2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -11.641 19.430 2.398 1.00 0.00 H new ATOM 954 N ASN A 231 -11.123 12.034 -0.566 1.00 0.00 N ATOM 955 CA ASN A 231 -10.872 10.589 -0.778 1.00 0.00 C ATOM 956 C ASN A 231 -9.570 10.210 -0.087 1.00 0.00 C ATOM 957 O ASN A 231 -8.510 10.580 -0.534 1.00 0.00 O ATOM 958 CB ASN A 231 -10.729 10.313 -2.278 1.00 0.00 C ATOM 959 CG ASN A 231 -11.782 11.102 -3.057 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.967 10.919 -2.867 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.386 11.993 -3.927 1.00 0.00 N ATOM 0 H ASN A 231 -10.896 12.633 -1.360 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.701 10.009 -0.372 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.731 10.593 -2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.844 9.247 -2.473 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -12.073 12.537 -4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.390 12.144 -4.084 1.00 0.00 H new ATOM 968 N THR A 232 -9.636 9.476 0.989 1.00 0.00 N ATOM 969 CA THR A 232 -8.383 9.064 1.697 1.00 0.00 C ATOM 970 C THR A 232 -8.349 7.547 1.844 1.00 0.00 C ATOM 971 O THR A 232 -9.357 6.925 2.104 1.00 0.00 O ATOM 972 CB THR A 232 -8.361 9.680 3.088 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.447 9.173 3.851 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.475 11.194 2.973 1.00 0.00 C ATOM 0 H THR A 232 -10.502 9.142 1.412 1.00 0.00 H new ATOM 0 HA THR A 232 -7.523 9.403 1.119 1.00 0.00 H new ATOM 0 HB THR A 232 -7.425 9.425 3.585 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.430 9.569 4.747 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.459 11.637 3.969 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.637 11.579 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.410 11.452 2.476 1.00 0.00 H new ATOM 982 N TRP A 233 -7.181 6.959 1.708 1.00 0.00 N ATOM 983 CA TRP A 233 -7.034 5.476 1.868 1.00 0.00 C ATOM 984 C TRP A 233 -6.123 5.193 3.058 1.00 0.00 C ATOM 985 O TRP A 233 -5.249 5.977 3.372 1.00 0.00 O ATOM 986 CB TRP A 233 -6.440 4.846 0.602 1.00 0.00 C ATOM 987 CG TRP A 233 -7.508 4.738 -0.435 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.865 5.718 -1.288 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.371 3.604 -0.725 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.895 5.256 -2.089 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.240 3.957 -1.780 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.481 2.316 -0.176 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.184 3.061 -2.280 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.429 1.411 -0.673 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.282 1.784 -1.722 1.00 0.00 C ATOM 0 H TRP A 233 -6.314 7.451 1.490 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.018 5.039 2.037 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.615 5.454 0.231 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.033 3.860 0.827 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.421 6.701 -1.338 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.344 5.809 -2.819 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.831 2.021 0.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.834 3.352 -3.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.503 0.422 -0.246 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -11.014 1.085 -2.098 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.339 4.092 3.739 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.498 3.763 4.935 1.00 0.00 C ATOM 1008 C GLU A 234 -5.260 2.251 5.005 1.00 0.00 C ATOM 1009 O GLU A 234 -6.162 1.468 4.796 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.253 4.187 6.197 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.771 5.619 6.037 1.00 0.00 C ATOM 1012 CD GLU A 234 -8.001 5.632 5.132 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.793 4.709 5.223 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -8.138 6.570 4.364 1.00 0.00 O ATOM 0 H GLU A 234 -7.062 3.407 3.518 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.543 4.283 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.086 3.508 6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.595 4.124 7.064 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -7.023 6.034 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -5.991 6.251 5.613 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.063 1.832 5.328 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.789 0.368 5.437 1.00 0.00 C ATOM 1023 C LEU A 235 -4.506 -0.197 6.668 1.00 0.00 C ATOM 1024 O LEU A 235 -4.210 0.170 7.783 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.285 0.142 5.588 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.557 0.571 4.307 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.047 0.489 4.555 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -1.947 -0.357 3.137 1.00 0.00 C ATOM 0 H LEU A 235 -3.266 2.439 5.520 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.149 -0.134 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.907 0.710 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.086 -0.910 5.794 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.839 1.591 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.487 0.791 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.223 1.153 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.224 -0.535 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.424 -0.043 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.670 -1.383 3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.023 -0.301 2.972 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.439 -1.093 6.469 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.177 -1.696 7.621 1.00 0.00 C ATOM 1042 C LYS A 236 -5.181 -2.504 8.489 1.00 0.00 C ATOM 1043 O LYS A 236 -4.661 -3.506 8.040 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.261 -2.642 7.062 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.384 -2.856 8.088 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.570 -3.558 7.401 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.727 -3.760 8.391 1.00 0.00 C ATOM 1048 NZ LYS A 236 -10.542 -5.057 9.098 1.00 0.00 N ATOM 0 H LYS A 236 -5.723 -1.435 5.551 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.639 -0.918 8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -7.676 -2.224 6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -6.813 -3.601 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -8.022 -3.459 8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -8.702 -1.899 8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -9.910 -2.963 6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.250 -4.522 7.006 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.755 -2.941 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -11.680 -3.753 7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -10.829 -4.954 10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -11.126 -5.787 8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -9.541 -5.337 9.054 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.908 -2.091 9.713 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.959 -2.820 10.611 1.00 0.00 C ATOM 1064 C PRO A 237 -4.640 -3.969 11.358 1.00 0.00 C ATOM 1065 O PRO A 237 -4.032 -4.677 12.135 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.520 -1.738 11.593 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.721 -0.859 11.744 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.464 -0.902 10.398 1.00 0.00 C ATOM 0 HA PRO A 237 -3.139 -3.282 10.060 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.220 -2.168 12.549 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.665 -1.180 11.212 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.361 -1.212 12.552 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.427 0.161 11.993 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.541 -0.992 10.540 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.294 0.006 9.820 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.908 -4.120 11.159 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.668 -5.171 11.884 1.00 0.00 C ATOM 1078 C GLU A 238 -6.002 -6.547 11.760 1.00 0.00 C ATOM 1079 O GLU A 238 -5.921 -7.279 12.726 1.00 0.00 O ATOM 1080 CB GLU A 238 -8.073 -5.236 11.295 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.805 -3.916 11.568 1.00 0.00 C ATOM 1082 CD GLU A 238 -9.021 -3.747 13.073 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -8.884 -4.728 13.785 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -9.319 -2.640 13.487 1.00 0.00 O ATOM 0 H GLU A 238 -6.463 -3.555 10.517 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.695 -4.913 12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -8.021 -5.420 10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.625 -6.067 11.734 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.224 -3.080 11.178 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -9.764 -3.907 11.050 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.547 -6.919 10.588 1.00 0.00 N ATOM 1092 CA TYR A 239 -4.908 -8.270 10.421 1.00 0.00 C ATOM 1093 C TYR A 239 -3.568 -8.170 9.686 1.00 0.00 C ATOM 1094 O TYR A 239 -3.074 -9.149 9.164 1.00 0.00 O ATOM 1095 CB TYR A 239 -5.850 -9.171 9.625 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.033 -8.617 8.237 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -6.947 -7.584 8.021 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.299 -9.140 7.166 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.131 -7.069 6.738 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.485 -8.628 5.877 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.403 -7.592 5.662 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.596 -7.090 4.392 1.00 0.00 O ATOM 0 H TYR A 239 -5.588 -6.351 9.741 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.722 -8.686 11.411 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.444 -10.181 9.573 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -6.814 -9.240 10.129 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.513 -7.183 8.849 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -4.590 -9.937 7.334 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.835 -6.267 6.574 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -4.921 -9.031 5.049 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.478 -6.666 4.338 1.00 0.00 H new ATOM 1112 N ARG A 240 -2.951 -7.018 9.651 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.631 -6.929 8.959 1.00 0.00 C ATOM 1114 C ARG A 240 -0.559 -7.584 9.831 1.00 0.00 C ATOM 1115 O ARG A 240 0.043 -6.953 10.678 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.252 -5.462 8.688 1.00 0.00 C ATOM 1117 CG ARG A 240 -1.914 -4.962 7.387 1.00 0.00 C ATOM 1118 CD ARG A 240 -1.074 -5.378 6.155 1.00 0.00 C ATOM 1119 NE ARG A 240 -1.512 -6.722 5.679 1.00 0.00 N ATOM 1120 CZ ARG A 240 -1.128 -7.159 4.506 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -0.365 -6.421 3.744 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -1.508 -8.338 4.093 1.00 0.00 N ATOM 0 H ARG A 240 -3.295 -6.151 10.063 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.701 -7.448 8.003 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.566 -4.839 9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -0.169 -5.369 8.610 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.920 -5.372 7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -2.014 -3.877 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.191 -4.643 5.358 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -0.016 -5.401 6.415 1.00 0.00 H new ATOM 0 HE ARG A 240 -2.111 -7.301 6.268 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -0.065 -5.499 4.062 1.00 0.00 H new ATOM 0 HH12 ARG A 240 -0.069 -6.767 2.831 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -2.104 -8.918 4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -1.209 -8.679 3.179 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.305 -8.841 9.610 1.00 0.00 N ATOM 1137 CA HIS A 241 0.737 -9.538 10.401 1.00 0.00 C ATOM 1138 C HIS A 241 2.090 -9.004 9.953 1.00 0.00 C ATOM 1139 O HIS A 241 3.097 -9.168 10.610 1.00 0.00 O ATOM 1140 CB HIS A 241 0.650 -11.040 10.135 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.741 -11.506 10.462 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -1.084 -12.008 11.709 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -1.896 -11.532 9.716 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.395 -12.312 11.676 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -2.937 -12.041 10.485 1.00 0.00 N ATOM 0 H HIS A 241 -0.777 -9.416 8.912 1.00 0.00 H new ATOM 0 HA HIS A 241 0.600 -9.365 11.468 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.885 -11.254 9.092 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.380 -11.575 10.742 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -1.982 -11.207 8.690 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.942 -12.725 12.511 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -3.907 -12.178 10.201 1.00 0.00 H new ATOM 1153 N TYR A 242 2.101 -8.355 8.823 1.00 0.00 N ATOM 1154 CA TYR A 242 3.355 -7.773 8.274 1.00 0.00 C ATOM 1155 C TYR A 242 3.394 -6.272 8.589 1.00 0.00 C ATOM 1156 O TYR A 242 2.534 -5.521 8.171 1.00 0.00 O ATOM 1157 CB TYR A 242 3.350 -7.995 6.759 1.00 0.00 C ATOM 1158 CG TYR A 242 4.485 -7.241 6.107 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.784 -7.762 6.121 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.231 -6.016 5.480 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.828 -7.056 5.506 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.271 -5.311 4.868 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.571 -5.831 4.880 1.00 0.00 C ATOM 1164 OH TYR A 242 7.600 -5.137 4.274 1.00 0.00 O ATOM 0 H TYR A 242 1.275 -8.201 8.245 1.00 0.00 H new ATOM 0 HA TYR A 242 4.232 -8.245 8.717 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.441 -9.059 6.542 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.399 -7.665 6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 242 5.982 -8.707 6.605 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.229 -5.614 5.469 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.830 -7.458 5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 242 5.072 -4.365 4.386 1.00 0.00 H new ATOM 0 HH TYR A 242 7.249 -4.630 3.512 1.00 0.00 H new ATOM 1174 N GLN A 243 4.382 -5.831 9.325 1.00 0.00 N ATOM 1175 CA GLN A 243 4.480 -4.379 9.668 1.00 0.00 C ATOM 1176 C GLN A 243 5.823 -4.105 10.351 1.00 0.00 C ATOM 1177 O GLN A 243 6.020 -3.073 10.962 1.00 0.00 O ATOM 1178 CB GLN A 243 3.334 -3.976 10.611 1.00 0.00 C ATOM 1179 CG GLN A 243 3.434 -4.758 11.927 1.00 0.00 C ATOM 1180 CD GLN A 243 2.226 -4.423 12.804 1.00 0.00 C ATOM 1181 OE1 GLN A 243 2.376 -4.021 13.941 1.00 0.00 O ATOM 1182 NE2 GLN A 243 1.024 -4.572 12.318 1.00 0.00 N ATOM 0 H GLN A 243 5.127 -6.415 9.704 1.00 0.00 H new ATOM 0 HA GLN A 243 4.407 -3.793 8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 243 3.377 -2.905 10.811 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.374 -4.173 10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.467 -5.829 11.726 1.00 0.00 H new ATOM 0 HG3 GLN A 243 4.358 -4.503 12.446 1.00 0.00 H new ATOM 0 HE21 GLN A 243 0.898 -4.909 11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 243 0.211 -4.351 12.892 1.00 0.00 H new TER 1191 GLN A 243