USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=12 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= -5.94! C(o=-6.1!,f=-5.1!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.157 USER MOD Set 2.1: A 214 LYS NZ :NH3+ 152:sc= -1.4 (180deg=-2.85!) USER MOD Set 2.2: A 218 LYS NZ :NH3+ 170:sc= -3.4! (180deg=-3.32!) USER MOD Set 3.1: A 194 HIS : no HD1:sc= -1.76 X(o=-1.4,f=-1) USER MOD Set 3.2: A 197 TYR OH : rot 70:sc= 0.357 USER MOD Single : A 180 LYS NZ :NH3+ -151:sc= 1.06 (180deg=0.441) USER MOD Single : A 181 GLN : amide:sc= -4.62! C(o=-4.6!,f=-3.6!) USER MOD Single : A 182 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 SER OG : rot -29:sc= 0.0336 USER MOD Single : A 193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 195 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.16) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -3.74! C(o=-3.7!,f=-17!) USER MOD Single : A 200 LYS NZ :NH3+ 138:sc= -2.92 (180deg=-4.68!) USER MOD Single : A 206 THR OG1 : rot 49:sc= 0.356 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= -5.13! C(o=-5.1!,f=-6.3!) USER MOD Single : A 212 TYR OH : rot 50:sc= -1.3 USER MOD Single : A 223 GLN : amide:sc= -17.3! C(o=-17!,f=-2.9!) USER MOD Single : A 226 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.16) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 239 TYR OH : rot -77:sc= -2.23 USER MOD Single : A 241 HIS : no HD1:sc= -0.921 K(o=-0.92,f=-0.19) USER MOD Single : A 242 TYR OH : rot 180:sc= 0 USER MOD Single : A 243 GLN : amide:sc= 0.131 K(o=0.13,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 2.858 -6.688 -14.166 1.00 0.00 N ATOM 2 CA ARG A 175 2.618 -6.450 -12.718 1.00 0.00 C ATOM 3 C ARG A 175 2.963 -7.713 -11.938 1.00 0.00 C ATOM 4 O ARG A 175 2.127 -8.321 -11.303 1.00 0.00 O ATOM 5 CB ARG A 175 1.144 -6.058 -12.507 1.00 0.00 C ATOM 6 CG ARG A 175 0.197 -7.256 -12.783 1.00 0.00 C ATOM 7 CD ARG A 175 -1.117 -6.758 -13.407 1.00 0.00 C ATOM 8 NE ARG A 175 -2.221 -7.727 -13.101 1.00 0.00 N ATOM 9 CZ ARG A 175 -2.134 -8.991 -13.422 1.00 0.00 C ATOM 10 NH1 ARG A 175 -1.147 -9.425 -14.161 1.00 0.00 N ATOM 11 NH2 ARG A 175 -3.073 -9.816 -13.043 1.00 0.00 N ATOM 0 HA ARG A 175 3.249 -5.637 -12.358 1.00 0.00 H new ATOM 0 HB2 ARG A 175 1.002 -5.707 -11.485 1.00 0.00 H new ATOM 0 HB3 ARG A 175 0.888 -5.229 -13.167 1.00 0.00 H new ATOM 0 HG2 ARG A 175 0.681 -7.965 -13.454 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -0.011 -7.787 -11.854 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -1.366 -5.772 -13.015 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -1.001 -6.652 -14.486 1.00 0.00 H new ATOM 0 HE ARG A 175 -3.061 -7.391 -12.630 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -0.435 -8.775 -14.493 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -1.089 -10.414 -14.405 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -3.866 -9.472 -12.501 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.014 -10.804 -13.289 1.00 0.00 H new ATOM 25 N ALA A 176 4.205 -8.110 -11.967 1.00 0.00 N ATOM 26 CA ALA A 176 4.596 -9.326 -11.215 1.00 0.00 C ATOM 27 C ALA A 176 4.134 -9.156 -9.776 1.00 0.00 C ATOM 28 O ALA A 176 3.870 -8.057 -9.331 1.00 0.00 O ATOM 29 CB ALA A 176 6.118 -9.509 -11.269 1.00 0.00 C ATOM 0 H ALA A 176 4.958 -7.647 -12.476 1.00 0.00 H new ATOM 0 HA ALA A 176 4.134 -10.210 -11.654 1.00 0.00 H new ATOM 0 HB1 ALA A 176 6.397 -10.405 -10.714 1.00 0.00 H new ATOM 0 HB2 ALA A 176 6.436 -9.612 -12.307 1.00 0.00 H new ATOM 0 HB3 ALA A 176 6.605 -8.641 -10.825 1.00 0.00 H new ATOM 35 N ARG A 177 4.018 -10.216 -9.038 1.00 0.00 N ATOM 36 CA ARG A 177 3.558 -10.058 -7.641 1.00 0.00 C ATOM 37 C ARG A 177 4.643 -9.304 -6.893 1.00 0.00 C ATOM 38 O ARG A 177 4.473 -8.885 -5.763 1.00 0.00 O ATOM 39 CB ARG A 177 3.320 -11.431 -7.009 1.00 0.00 C ATOM 40 CG ARG A 177 2.420 -11.284 -5.770 1.00 0.00 C ATOM 41 CD ARG A 177 0.937 -11.186 -6.197 1.00 0.00 C ATOM 42 NE ARG A 177 0.297 -12.522 -6.037 1.00 0.00 N ATOM 43 CZ ARG A 177 -1.004 -12.633 -6.047 1.00 0.00 C ATOM 44 NH1 ARG A 177 -1.753 -11.577 -6.196 1.00 0.00 N ATOM 45 NH2 ARG A 177 -1.557 -13.804 -5.915 1.00 0.00 N ATOM 0 H ARG A 177 4.218 -11.171 -9.336 1.00 0.00 H new ATOM 0 HA ARG A 177 2.617 -9.509 -7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 177 2.852 -12.099 -7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 177 4.272 -11.882 -6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 177 2.560 -12.138 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 177 2.704 -10.394 -5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 177 0.418 -10.445 -5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 177 0.865 -10.855 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 177 0.877 -13.353 -5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -1.323 -10.658 -6.306 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -2.769 -11.669 -6.203 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -0.974 -14.634 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -2.573 -13.892 -5.923 1.00 0.00 H new ATOM 59 N ALA A 178 5.749 -9.093 -7.547 1.00 0.00 N ATOM 60 CA ALA A 178 6.849 -8.328 -6.920 1.00 0.00 C ATOM 61 C ALA A 178 6.342 -6.918 -6.698 1.00 0.00 C ATOM 62 O ALA A 178 6.565 -6.305 -5.675 1.00 0.00 O ATOM 63 CB ALA A 178 8.036 -8.270 -7.878 1.00 0.00 C ATOM 0 H ALA A 178 5.935 -9.421 -8.495 1.00 0.00 H new ATOM 0 HA ALA A 178 7.160 -8.795 -5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.848 -7.707 -7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 178 8.376 -9.282 -8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.733 -7.780 -8.803 1.00 0.00 H new ATOM 69 N ASP A 179 5.645 -6.407 -7.663 1.00 0.00 N ATOM 70 CA ASP A 179 5.103 -5.042 -7.543 1.00 0.00 C ATOM 71 C ASP A 179 4.173 -4.970 -6.335 1.00 0.00 C ATOM 72 O ASP A 179 4.255 -4.060 -5.538 1.00 0.00 O ATOM 73 CB ASP A 179 4.343 -4.717 -8.828 1.00 0.00 C ATOM 74 CG ASP A 179 5.353 -4.499 -9.957 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.540 -4.575 -9.682 1.00 0.00 O ATOM 76 OD2 ASP A 179 4.925 -4.256 -11.072 1.00 0.00 O ATOM 0 H ASP A 179 5.427 -6.884 -8.538 1.00 0.00 H new ATOM 0 HA ASP A 179 5.906 -4.318 -7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.664 -5.531 -9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 179 3.733 -3.824 -8.690 1.00 0.00 H new ATOM 81 N LYS A 180 3.298 -5.922 -6.175 1.00 0.00 N ATOM 82 CA LYS A 180 2.382 -5.881 -4.998 1.00 0.00 C ATOM 83 C LYS A 180 3.193 -5.811 -3.705 1.00 0.00 C ATOM 84 O LYS A 180 3.085 -4.877 -2.938 1.00 0.00 O ATOM 85 CB LYS A 180 1.517 -7.143 -4.976 1.00 0.00 C ATOM 86 CG LYS A 180 0.534 -7.064 -3.808 1.00 0.00 C ATOM 87 CD LYS A 180 -0.493 -8.194 -3.924 1.00 0.00 C ATOM 88 CE LYS A 180 -1.600 -7.989 -2.889 1.00 0.00 C ATOM 89 NZ LYS A 180 -2.430 -9.227 -2.791 1.00 0.00 N ATOM 0 H LYS A 180 3.176 -6.719 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 180 1.748 -4.998 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 180 0.975 -7.242 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.147 -8.027 -4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.070 -7.142 -2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.029 -6.098 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -0.918 -8.211 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 180 -0.008 -9.157 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -1.165 -7.753 -1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -2.225 -7.142 -3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -3.400 -8.974 -2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -2.449 -9.706 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -2.020 -9.864 -2.078 1.00 0.00 H new ATOM 103 N GLN A 181 4.001 -6.799 -3.455 1.00 0.00 N ATOM 104 CA GLN A 181 4.810 -6.804 -2.213 1.00 0.00 C ATOM 105 C GLN A 181 5.736 -5.586 -2.204 1.00 0.00 C ATOM 106 O GLN A 181 5.875 -4.906 -1.206 1.00 0.00 O ATOM 107 CB GLN A 181 5.623 -8.100 -2.167 1.00 0.00 C ATOM 108 CG GLN A 181 6.280 -8.254 -0.798 1.00 0.00 C ATOM 109 CD GLN A 181 7.489 -7.326 -0.708 1.00 0.00 C ATOM 110 OE1 GLN A 181 8.502 -7.565 -1.331 1.00 0.00 O ATOM 111 NE2 GLN A 181 7.416 -6.266 0.043 1.00 0.00 N ATOM 0 H GLN A 181 4.135 -7.607 -4.062 1.00 0.00 H new ATOM 0 HA GLN A 181 4.164 -6.752 -1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 181 4.975 -8.953 -2.367 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.385 -8.089 -2.946 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.565 -8.015 -0.011 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.589 -9.288 -0.645 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.562 -6.069 0.565 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.212 -5.632 0.110 1.00 0.00 H new ATOM 120 N HIS A 182 6.359 -5.297 -3.309 1.00 0.00 N ATOM 121 CA HIS A 182 7.265 -4.123 -3.367 1.00 0.00 C ATOM 122 C HIS A 182 6.445 -2.834 -3.239 1.00 0.00 C ATOM 123 O HIS A 182 6.901 -1.850 -2.686 1.00 0.00 O ATOM 124 CB HIS A 182 8.031 -4.146 -4.686 1.00 0.00 C ATOM 125 CG HIS A 182 8.982 -2.987 -4.736 1.00 0.00 C ATOM 126 ND1 HIS A 182 10.040 -2.844 -3.850 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.040 -1.904 -5.567 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.681 -1.705 -4.169 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.112 -1.091 -5.210 1.00 0.00 N ATOM 0 H HIS A 182 6.279 -5.826 -4.177 1.00 0.00 H new ATOM 0 HA HIS A 182 7.978 -4.161 -2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.579 -5.083 -4.784 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.335 -4.095 -5.523 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.356 -1.708 -6.380 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.550 -1.332 -3.647 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.400 -0.216 -5.648 1.00 0.00 H new ATOM 137 N VAL A 183 5.235 -2.824 -3.736 1.00 0.00 N ATOM 138 CA VAL A 183 4.410 -1.590 -3.620 1.00 0.00 C ATOM 139 C VAL A 183 4.003 -1.383 -2.159 1.00 0.00 C ATOM 140 O VAL A 183 4.004 -0.274 -1.671 1.00 0.00 O ATOM 141 CB VAL A 183 3.169 -1.695 -4.523 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.193 -0.553 -4.188 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.602 -1.596 -6.013 1.00 0.00 C ATOM 0 H VAL A 183 4.789 -3.608 -4.211 1.00 0.00 H new ATOM 0 HA VAL A 183 4.995 -0.730 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 183 2.675 -2.652 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.313 -0.627 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.890 -0.628 -3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.684 0.406 -4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.723 -1.670 -6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.097 -0.640 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.291 -2.408 -6.247 1.00 0.00 H new ATOM 153 N LEU A 184 3.668 -2.426 -1.437 1.00 0.00 N ATOM 154 CA LEU A 184 3.282 -2.216 -0.014 1.00 0.00 C ATOM 155 C LEU A 184 4.421 -1.491 0.690 1.00 0.00 C ATOM 156 O LEU A 184 4.203 -0.594 1.479 1.00 0.00 O ATOM 157 CB LEU A 184 3.038 -3.559 0.672 1.00 0.00 C ATOM 158 CG LEU A 184 1.792 -4.234 0.090 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.664 -5.638 0.691 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.530 -3.406 0.413 1.00 0.00 C ATOM 0 H LEU A 184 3.646 -3.391 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 184 2.366 -1.628 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.906 -4.206 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.912 -3.410 1.744 1.00 0.00 H new ATOM 0 HG LEU A 184 1.889 -4.301 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.780 -6.129 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.550 -6.222 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.571 -5.563 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.346 -3.899 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.416 -3.323 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.628 -2.410 -0.019 1.00 0.00 H new ATOM 172 N ASP A 185 5.639 -1.852 0.394 1.00 0.00 N ATOM 173 CA ASP A 185 6.783 -1.155 1.038 1.00 0.00 C ATOM 174 C ASP A 185 6.633 0.346 0.776 1.00 0.00 C ATOM 175 O ASP A 185 6.840 1.161 1.650 1.00 0.00 O ATOM 176 CB ASP A 185 8.096 -1.646 0.421 1.00 0.00 C ATOM 177 CG ASP A 185 8.348 -3.103 0.816 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.687 -3.578 1.723 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.203 -3.722 0.197 1.00 0.00 O ATOM 0 H ASP A 185 5.889 -2.593 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 185 6.794 -1.358 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.053 -1.557 -0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.922 -1.021 0.759 1.00 0.00 H new ATOM 184 N MET A 186 6.257 0.714 -0.425 1.00 0.00 N ATOM 185 CA MET A 186 6.076 2.162 -0.740 1.00 0.00 C ATOM 186 C MET A 186 4.922 2.726 0.090 1.00 0.00 C ATOM 187 O MET A 186 4.966 3.851 0.549 1.00 0.00 O ATOM 188 CB MET A 186 5.767 2.333 -2.231 1.00 0.00 C ATOM 189 CG MET A 186 6.971 1.883 -3.053 1.00 0.00 C ATOM 190 SD MET A 186 8.270 3.133 -2.927 1.00 0.00 S ATOM 191 CE MET A 186 9.426 2.360 -4.073 1.00 0.00 C ATOM 0 H MET A 186 6.069 0.075 -1.197 1.00 0.00 H new ATOM 0 HA MET A 186 6.993 2.700 -0.499 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.889 1.747 -2.501 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.534 3.375 -2.448 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.337 0.922 -2.690 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.684 1.742 -4.095 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.324 2.973 -4.153 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.695 1.369 -3.706 1.00 0.00 H new ATOM 0 HE3 MET A 186 8.960 2.269 -5.054 1.00 0.00 H new ATOM 201 N LEU A 187 3.884 1.961 0.282 1.00 0.00 N ATOM 202 CA LEU A 187 2.738 2.472 1.079 1.00 0.00 C ATOM 203 C LEU A 187 3.185 2.679 2.527 1.00 0.00 C ATOM 204 O LEU A 187 2.896 3.693 3.130 1.00 0.00 O ATOM 205 CB LEU A 187 1.591 1.462 1.052 1.00 0.00 C ATOM 206 CG LEU A 187 1.202 1.109 -0.387 1.00 0.00 C ATOM 207 CD1 LEU A 187 -0.056 0.235 -0.354 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.918 2.386 -1.195 1.00 0.00 C ATOM 0 H LEU A 187 3.781 1.011 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 187 2.398 3.416 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 187 1.886 0.558 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.728 1.873 1.575 1.00 0.00 H new ATOM 0 HG LEU A 187 2.023 0.573 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.345 -0.025 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.148 -0.676 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.867 0.783 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.643 2.118 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 187 0.099 2.935 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.810 3.012 -1.212 1.00 0.00 H new ATOM 220 N PHE A 188 3.904 1.742 3.093 1.00 0.00 N ATOM 221 CA PHE A 188 4.359 1.936 4.500 1.00 0.00 C ATOM 222 C PHE A 188 5.191 3.216 4.571 1.00 0.00 C ATOM 223 O PHE A 188 5.040 4.010 5.477 1.00 0.00 O ATOM 224 CB PHE A 188 5.198 0.737 4.976 1.00 0.00 C ATOM 225 CG PHE A 188 4.297 -0.450 5.264 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.502 -0.456 6.416 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.257 -1.540 4.385 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.668 -1.548 6.689 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.422 -2.631 4.659 1.00 0.00 C ATOM 230 CZ PHE A 188 2.630 -2.636 5.809 1.00 0.00 C ATOM 0 H PHE A 188 4.190 0.868 2.651 1.00 0.00 H new ATOM 0 HA PHE A 188 3.489 2.016 5.152 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.931 0.471 4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.755 1.007 5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.532 0.383 7.096 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.870 -1.539 3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.055 -1.550 7.578 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.391 -3.470 3.979 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.988 -3.479 6.019 1.00 0.00 H new ATOM 240 N SER A 189 6.050 3.439 3.614 1.00 0.00 N ATOM 241 CA SER A 189 6.862 4.687 3.632 1.00 0.00 C ATOM 242 C SER A 189 5.913 5.883 3.519 1.00 0.00 C ATOM 243 O SER A 189 6.042 6.871 4.221 1.00 0.00 O ATOM 244 CB SER A 189 7.833 4.682 2.449 1.00 0.00 C ATOM 245 OG SER A 189 7.099 4.619 1.234 1.00 0.00 O ATOM 0 H SER A 189 6.223 2.815 2.826 1.00 0.00 H new ATOM 0 HA SER A 189 7.434 4.752 4.558 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.450 5.580 2.467 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.509 3.830 2.523 1.00 0.00 H new ATOM 0 HG SER A 189 6.258 4.139 1.385 1.00 0.00 H new ATOM 251 N ALA A 190 4.947 5.783 2.648 1.00 0.00 N ATOM 252 CA ALA A 190 3.960 6.885 2.483 1.00 0.00 C ATOM 253 C ALA A 190 3.162 7.024 3.774 1.00 0.00 C ATOM 254 O ALA A 190 3.000 8.103 4.307 1.00 0.00 O ATOM 255 CB ALA A 190 3.003 6.539 1.339 1.00 0.00 C ATOM 0 H ALA A 190 4.799 4.978 2.039 1.00 0.00 H new ATOM 0 HA ALA A 190 4.478 7.818 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.278 7.344 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.569 6.415 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.479 5.612 1.571 1.00 0.00 H new ATOM 261 N PHE A 191 2.668 5.928 4.284 1.00 0.00 N ATOM 262 CA PHE A 191 1.880 5.982 5.544 1.00 0.00 C ATOM 263 C PHE A 191 2.795 6.329 6.716 1.00 0.00 C ATOM 264 O PHE A 191 2.344 6.764 7.757 1.00 0.00 O ATOM 265 CB PHE A 191 1.173 4.637 5.779 1.00 0.00 C ATOM 266 CG PHE A 191 -0.081 4.575 4.934 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.173 5.386 5.267 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.156 3.721 3.826 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.340 5.343 4.498 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.326 3.680 3.054 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.417 4.491 3.391 1.00 0.00 C ATOM 0 H PHE A 191 2.777 4.998 3.880 1.00 0.00 H new ATOM 0 HA PHE A 191 1.120 6.759 5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.839 3.813 5.522 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.920 4.526 6.833 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.114 6.046 6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.685 3.096 3.567 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.182 5.967 4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.386 3.023 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.318 4.459 2.796 1.00 0.00 H new ATOM 281 N GLU A 192 4.075 6.160 6.559 1.00 0.00 N ATOM 282 CA GLU A 192 4.996 6.509 7.670 1.00 0.00 C ATOM 283 C GLU A 192 5.008 8.034 7.841 1.00 0.00 C ATOM 284 O GLU A 192 5.167 8.539 8.933 1.00 0.00 O ATOM 285 CB GLU A 192 6.407 6.005 7.357 1.00 0.00 C ATOM 286 CG GLU A 192 7.313 6.228 8.571 1.00 0.00 C ATOM 287 CD GLU A 192 6.924 5.236 9.668 1.00 0.00 C ATOM 288 OE1 GLU A 192 7.481 4.151 9.678 1.00 0.00 O ATOM 289 OE2 GLU A 192 6.073 5.575 10.470 1.00 0.00 O ATOM 0 H GLU A 192 4.521 5.798 5.716 1.00 0.00 H new ATOM 0 HA GLU A 192 4.657 6.038 8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.377 4.946 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.808 6.530 6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 192 8.358 6.091 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 192 7.212 7.251 8.934 1.00 0.00 H new ATOM 296 N LYS A 193 4.844 8.773 6.773 1.00 0.00 N ATOM 297 CA LYS A 193 4.855 10.266 6.892 1.00 0.00 C ATOM 298 C LYS A 193 3.478 10.768 7.334 1.00 0.00 C ATOM 299 O LYS A 193 3.365 11.779 7.999 1.00 0.00 O ATOM 300 CB LYS A 193 5.212 10.897 5.543 1.00 0.00 C ATOM 301 CG LYS A 193 6.686 10.636 5.232 1.00 0.00 C ATOM 302 CD LYS A 193 7.006 11.109 3.810 1.00 0.00 C ATOM 303 CE LYS A 193 8.520 11.102 3.590 1.00 0.00 C ATOM 304 NZ LYS A 193 8.833 11.724 2.271 1.00 0.00 N ATOM 0 H LYS A 193 4.704 8.412 5.829 1.00 0.00 H new ATOM 0 HA LYS A 193 5.600 10.550 7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.584 10.479 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.019 11.969 5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 193 7.317 11.159 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.905 9.573 5.330 1.00 0.00 H new ATOM 0 HD2 LYS A 193 6.521 10.458 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 193 6.611 12.113 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 193 9.017 11.651 4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.898 10.080 3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 9.862 11.720 2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 8.370 11.183 1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 8.485 12.704 2.258 1.00 0.00 H new ATOM 318 N HIS A 194 2.423 10.076 6.982 1.00 0.00 N ATOM 319 CA HIS A 194 1.062 10.530 7.410 1.00 0.00 C ATOM 320 C HIS A 194 0.110 9.334 7.518 1.00 0.00 C ATOM 321 O HIS A 194 0.249 8.339 6.847 1.00 0.00 O ATOM 322 CB HIS A 194 0.489 11.544 6.411 1.00 0.00 C ATOM 323 CG HIS A 194 1.207 12.858 6.537 1.00 0.00 C ATOM 324 ND1 HIS A 194 1.856 13.452 5.466 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.363 13.718 7.594 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.363 14.621 5.896 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.093 14.832 7.187 1.00 0.00 N ATOM 0 H HIS A 194 2.443 9.224 6.422 1.00 0.00 H new ATOM 0 HA HIS A 194 1.158 11.006 8.386 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.590 11.162 5.395 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.576 11.684 6.594 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.978 13.556 8.590 1.00 0.00 H new ATOM 0 HE1 HIS A 194 2.920 15.305 5.274 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.363 15.636 7.753 1.00 0.00 H new ATOM 335 N GLN A 195 -0.853 9.438 8.378 1.00 0.00 N ATOM 336 CA GLN A 195 -1.829 8.333 8.563 1.00 0.00 C ATOM 337 C GLN A 195 -2.764 8.208 7.345 1.00 0.00 C ATOM 338 O GLN A 195 -3.303 7.151 7.083 1.00 0.00 O ATOM 339 CB GLN A 195 -2.661 8.613 9.817 1.00 0.00 C ATOM 340 CG GLN A 195 -3.543 7.404 10.149 1.00 0.00 C ATOM 341 CD GLN A 195 -2.665 6.213 10.543 1.00 0.00 C ATOM 342 OE1 GLN A 195 -2.142 6.166 11.639 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.482 5.242 9.689 1.00 0.00 N ATOM 0 H GLN A 195 -1.011 10.253 8.971 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.282 7.396 8.669 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -2.003 8.833 10.657 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.283 9.494 9.660 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.223 7.651 10.964 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.159 7.144 9.288 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.921 5.282 8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -1.900 4.444 9.942 1.00 0.00 H new ATOM 352 N TYR A 196 -3.023 9.297 6.648 1.00 0.00 N ATOM 353 CA TYR A 196 -4.001 9.256 5.500 1.00 0.00 C ATOM 354 C TYR A 196 -3.372 9.628 4.147 1.00 0.00 C ATOM 355 O TYR A 196 -2.514 10.485 4.048 1.00 0.00 O ATOM 356 CB TYR A 196 -5.110 10.259 5.810 1.00 0.00 C ATOM 357 CG TYR A 196 -5.833 9.825 7.062 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.912 8.938 6.975 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.423 10.308 8.313 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.583 8.534 8.134 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.094 9.903 9.473 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.172 9.017 9.384 1.00 0.00 C ATOM 363 OH TYR A 196 -7.835 8.621 10.527 1.00 0.00 O ATOM 0 H TYR A 196 -2.602 10.209 6.823 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.367 8.233 5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.689 11.255 5.945 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.807 10.318 4.975 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.227 8.565 6.012 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.590 10.992 8.382 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.417 7.851 8.066 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -5.779 10.275 10.437 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.423 9.046 11.308 1.00 0.00 H new ATOM 373 N TYR A 197 -3.851 8.990 3.096 1.00 0.00 N ATOM 374 CA TYR A 197 -3.365 9.276 1.706 1.00 0.00 C ATOM 375 C TYR A 197 -4.508 9.064 0.709 1.00 0.00 C ATOM 376 O TYR A 197 -5.168 8.042 0.717 1.00 0.00 O ATOM 377 CB TYR A 197 -2.204 8.340 1.337 1.00 0.00 C ATOM 378 CG TYR A 197 -0.911 8.877 1.900 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.566 8.654 3.235 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.054 9.610 1.067 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.634 9.167 3.737 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.144 10.120 1.572 1.00 0.00 C ATOM 383 CZ TYR A 197 1.488 9.900 2.906 1.00 0.00 C ATOM 384 OH TYR A 197 2.664 10.409 3.409 1.00 0.00 O ATOM 0 H TYR A 197 -4.572 8.270 3.149 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.019 10.309 1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.393 7.340 1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.129 8.250 0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.224 8.087 3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.320 9.780 0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.902 8.997 4.769 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.804 10.685 0.930 1.00 0.00 H new ATOM 0 HH TYR A 197 3.286 9.675 3.592 1.00 0.00 H new ATOM 394 N ASN A 198 -4.736 10.010 -0.169 1.00 0.00 N ATOM 395 CA ASN A 198 -5.824 9.840 -1.179 1.00 0.00 C ATOM 396 C ASN A 198 -5.247 9.180 -2.435 1.00 0.00 C ATOM 397 O ASN A 198 -4.048 9.049 -2.586 1.00 0.00 O ATOM 398 CB ASN A 198 -6.449 11.199 -1.519 1.00 0.00 C ATOM 399 CG ASN A 198 -5.473 12.058 -2.313 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.283 11.830 -2.292 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.943 13.051 -3.020 1.00 0.00 N ATOM 0 H ASN A 198 -4.219 10.887 -0.229 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.607 9.202 -0.769 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.362 11.051 -2.095 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.731 11.715 -0.601 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.307 13.640 -3.558 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.946 13.238 -3.034 1.00 0.00 H new ATOM 408 N LEU A 199 -6.094 8.747 -3.326 1.00 0.00 N ATOM 409 CA LEU A 199 -5.603 8.074 -4.565 1.00 0.00 C ATOM 410 C LEU A 199 -4.653 8.998 -5.331 1.00 0.00 C ATOM 411 O LEU A 199 -3.649 8.564 -5.855 1.00 0.00 O ATOM 412 CB LEU A 199 -6.792 7.732 -5.468 1.00 0.00 C ATOM 413 CG LEU A 199 -7.720 6.708 -4.794 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.943 6.483 -5.691 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.991 5.368 -4.599 1.00 0.00 C ATOM 0 H LEU A 199 -7.108 8.829 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.073 7.165 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.351 8.639 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.430 7.332 -6.415 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.024 7.091 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.609 5.758 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.472 7.426 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.619 6.105 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.662 4.655 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.679 4.979 -5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.114 5.519 -3.970 1.00 0.00 H new ATOM 427 N LYS A 200 -4.969 10.261 -5.421 1.00 0.00 N ATOM 428 CA LYS A 200 -4.085 11.197 -6.178 1.00 0.00 C ATOM 429 C LYS A 200 -2.685 11.223 -5.577 1.00 0.00 C ATOM 430 O LYS A 200 -1.696 11.212 -6.278 1.00 0.00 O ATOM 431 CB LYS A 200 -4.669 12.611 -6.120 1.00 0.00 C ATOM 432 CG LYS A 200 -3.815 13.589 -6.978 1.00 0.00 C ATOM 433 CD LYS A 200 -4.535 13.956 -8.281 1.00 0.00 C ATOM 434 CE LYS A 200 -4.689 12.728 -9.188 1.00 0.00 C ATOM 435 NZ LYS A 200 -5.865 11.926 -8.744 1.00 0.00 N ATOM 0 H LYS A 200 -5.798 10.686 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 200 -4.025 10.852 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.697 12.602 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.699 12.956 -5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -3.609 14.494 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -2.853 13.131 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -5.517 14.370 -8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -3.975 14.731 -8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -4.819 13.042 -10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -3.785 12.120 -9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -6.400 11.605 -9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -5.538 11.100 -8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -6.479 12.513 -8.143 1.00 0.00 H new ATOM 449 N ASP A 201 -2.580 11.285 -4.296 1.00 0.00 N ATOM 450 CA ASP A 201 -1.229 11.334 -3.686 1.00 0.00 C ATOM 451 C ASP A 201 -0.517 10.010 -3.938 1.00 0.00 C ATOM 452 O ASP A 201 0.668 9.969 -4.201 1.00 0.00 O ATOM 453 CB ASP A 201 -1.357 11.543 -2.180 1.00 0.00 C ATOM 454 CG ASP A 201 -1.907 12.938 -1.911 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.590 13.835 -2.675 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.644 13.087 -0.951 1.00 0.00 O ATOM 0 H ASP A 201 -3.361 11.304 -3.641 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.663 12.155 -4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.018 10.790 -1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.385 11.424 -1.701 1.00 0.00 H new ATOM 461 N LEU A 202 -1.234 8.928 -3.835 1.00 0.00 N ATOM 462 CA LEU A 202 -0.617 7.589 -4.040 1.00 0.00 C ATOM 463 C LEU A 202 -0.005 7.458 -5.441 1.00 0.00 C ATOM 464 O LEU A 202 1.060 6.896 -5.603 1.00 0.00 O ATOM 465 CB LEU A 202 -1.694 6.510 -3.843 1.00 0.00 C ATOM 466 CG LEU A 202 -2.025 6.332 -2.346 1.00 0.00 C ATOM 467 CD1 LEU A 202 -3.361 5.583 -2.210 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.924 5.510 -1.646 1.00 0.00 C ATOM 0 H LEU A 202 -2.230 8.913 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 202 0.186 7.463 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.596 6.786 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.347 5.564 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.090 7.316 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.600 5.454 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -4.151 6.157 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -3.280 4.606 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -1.172 5.393 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.851 4.528 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.031 6.027 -1.739 1.00 0.00 H new ATOM 480 N VAL A 203 -0.652 7.953 -6.455 1.00 0.00 N ATOM 481 CA VAL A 203 -0.065 7.822 -7.819 1.00 0.00 C ATOM 482 C VAL A 203 1.214 8.649 -7.929 1.00 0.00 C ATOM 483 O VAL A 203 2.170 8.236 -8.555 1.00 0.00 O ATOM 484 CB VAL A 203 -1.067 8.254 -8.885 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.147 7.181 -9.028 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.706 9.568 -8.468 1.00 0.00 C ATOM 0 H VAL A 203 -1.549 8.436 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 203 0.180 6.773 -7.985 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.557 8.384 -9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.865 7.487 -9.789 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.686 6.238 -9.322 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.661 7.053 -8.075 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.423 9.881 -9.227 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.220 9.437 -7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.934 10.330 -8.362 1.00 0.00 H new ATOM 496 N ASP A 204 1.259 9.806 -7.329 1.00 0.00 N ATOM 497 CA ASP A 204 2.506 10.609 -7.425 1.00 0.00 C ATOM 498 C ASP A 204 3.658 9.781 -6.854 1.00 0.00 C ATOM 499 O ASP A 204 4.739 9.732 -7.409 1.00 0.00 O ATOM 500 CB ASP A 204 2.358 11.905 -6.623 1.00 0.00 C ATOM 501 CG ASP A 204 3.550 12.812 -6.921 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.506 12.324 -7.502 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.492 13.974 -6.557 1.00 0.00 O ATOM 0 H ASP A 204 0.502 10.223 -6.787 1.00 0.00 H new ATOM 0 HA ASP A 204 2.703 10.864 -8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.427 12.407 -6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.310 11.685 -5.557 1.00 0.00 H new ATOM 508 N ILE A 205 3.432 9.112 -5.760 1.00 0.00 N ATOM 509 CA ILE A 205 4.509 8.275 -5.171 1.00 0.00 C ATOM 510 C ILE A 205 4.803 7.119 -6.132 1.00 0.00 C ATOM 511 O ILE A 205 5.911 6.629 -6.213 1.00 0.00 O ATOM 512 CB ILE A 205 4.039 7.723 -3.825 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.617 8.894 -2.933 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.186 6.950 -3.159 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.063 8.366 -1.613 1.00 0.00 C ATOM 0 H ILE A 205 2.549 9.109 -5.249 1.00 0.00 H new ATOM 0 HA ILE A 205 5.411 8.868 -5.017 1.00 0.00 H new ATOM 0 HB ILE A 205 3.195 7.049 -3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.470 9.546 -2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.862 9.495 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.851 6.557 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.491 6.125 -3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.032 7.619 -3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 205 2.764 9.204 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.198 7.733 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 205 3.831 7.784 -1.103 1.00 0.00 H new ATOM 527 N THR A 206 3.803 6.676 -6.858 1.00 0.00 N ATOM 528 CA THR A 206 3.998 5.544 -7.811 1.00 0.00 C ATOM 529 C THR A 206 3.107 5.728 -9.051 1.00 0.00 C ATOM 530 O THR A 206 1.905 5.770 -8.959 1.00 0.00 O ATOM 531 CB THR A 206 3.613 4.247 -7.099 1.00 0.00 C ATOM 532 OG1 THR A 206 2.324 4.393 -6.517 1.00 0.00 O ATOM 533 CG2 THR A 206 4.642 3.927 -6.009 1.00 0.00 C ATOM 0 H THR A 206 2.856 7.054 -6.829 1.00 0.00 H new ATOM 0 HA THR A 206 5.039 5.512 -8.133 1.00 0.00 H new ATOM 0 HB THR A 206 3.595 3.430 -7.820 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.703 4.755 -7.183 1.00 0.00 H new ATOM 0 HG21 THR A 206 4.362 3.002 -5.505 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.627 3.811 -6.461 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.669 4.741 -5.284 1.00 0.00 H new ATOM 541 N LYS A 207 3.693 5.826 -10.215 1.00 0.00 N ATOM 542 CA LYS A 207 2.876 5.999 -11.459 1.00 0.00 C ATOM 543 C LYS A 207 2.315 4.648 -11.906 1.00 0.00 C ATOM 544 O LYS A 207 2.109 4.410 -13.081 1.00 0.00 O ATOM 545 CB LYS A 207 3.740 6.595 -12.576 1.00 0.00 C ATOM 546 CG LYS A 207 4.072 8.051 -12.240 1.00 0.00 C ATOM 547 CD LYS A 207 4.884 8.692 -13.380 1.00 0.00 C ATOM 548 CE LYS A 207 3.945 9.221 -14.471 1.00 0.00 C ATOM 549 NZ LYS A 207 4.751 9.914 -15.516 1.00 0.00 N ATOM 0 H LYS A 207 4.702 5.794 -10.361 1.00 0.00 H new ATOM 0 HA LYS A 207 2.050 6.678 -11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.658 6.018 -12.688 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.211 6.541 -13.528 1.00 0.00 H new ATOM 0 HG2 LYS A 207 3.152 8.613 -12.080 1.00 0.00 H new ATOM 0 HG3 LYS A 207 4.639 8.096 -11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 207 5.493 9.507 -12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 207 5.569 7.958 -13.805 1.00 0.00 H new ATOM 0 HE2 LYS A 207 3.383 8.399 -14.914 1.00 0.00 H new ATOM 0 HE3 LYS A 207 3.218 9.909 -14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 4.119 10.275 -16.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 5.269 10.707 -15.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 5.428 9.244 -15.933 1.00 0.00 H new ATOM 563 N GLN A 208 2.065 3.758 -10.981 1.00 0.00 N ATOM 564 CA GLN A 208 1.516 2.425 -11.363 1.00 0.00 C ATOM 565 C GLN A 208 -0.013 2.551 -11.517 1.00 0.00 C ATOM 566 O GLN A 208 -0.633 3.342 -10.834 1.00 0.00 O ATOM 567 CB GLN A 208 1.838 1.415 -10.259 1.00 0.00 C ATOM 568 CG GLN A 208 3.357 1.240 -10.156 1.00 0.00 C ATOM 569 CD GLN A 208 3.695 0.470 -8.880 1.00 0.00 C ATOM 570 OE1 GLN A 208 3.397 -0.703 -8.766 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.310 1.088 -7.908 1.00 0.00 N ATOM 0 H GLN A 208 2.217 3.896 -9.982 1.00 0.00 H new ATOM 0 HA GLN A 208 1.957 2.088 -12.301 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.435 1.760 -9.307 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.365 0.458 -10.477 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.732 0.703 -11.028 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.846 2.214 -10.146 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.559 2.072 -8.006 1.00 0.00 H new ATOM 0 HE22 GLN A 208 4.542 0.586 -7.051 1.00 0.00 H new ATOM 580 N PRO A 209 -0.626 1.796 -12.404 1.00 0.00 N ATOM 581 CA PRO A 209 -2.105 1.873 -12.617 1.00 0.00 C ATOM 582 C PRO A 209 -2.892 1.939 -11.297 1.00 0.00 C ATOM 583 O PRO A 209 -2.668 1.159 -10.396 1.00 0.00 O ATOM 584 CB PRO A 209 -2.423 0.577 -13.371 1.00 0.00 C ATOM 585 CG PRO A 209 -1.171 0.244 -14.123 1.00 0.00 C ATOM 586 CD PRO A 209 0.000 0.795 -13.295 1.00 0.00 C ATOM 0 HA PRO A 209 -2.390 2.777 -13.155 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.693 -0.223 -12.682 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.266 0.712 -14.049 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.076 -0.833 -14.259 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.186 0.691 -15.117 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.491 0.006 -12.725 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.760 1.248 -13.932 1.00 0.00 H new ATOM 594 N VAL A 210 -3.820 2.859 -11.181 1.00 0.00 N ATOM 595 CA VAL A 210 -4.628 2.959 -9.932 1.00 0.00 C ATOM 596 C VAL A 210 -5.367 1.650 -9.723 1.00 0.00 C ATOM 597 O VAL A 210 -5.447 1.122 -8.633 1.00 0.00 O ATOM 598 CB VAL A 210 -5.631 4.107 -10.056 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.874 5.386 -10.389 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.642 3.813 -11.167 1.00 0.00 C ATOM 0 H VAL A 210 -4.050 3.544 -11.901 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.974 3.154 -9.082 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.168 4.219 -9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.579 6.213 -10.480 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.160 5.604 -9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.341 5.258 -11.331 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.349 4.639 -11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -6.117 3.696 -12.115 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -7.181 2.894 -10.935 1.00 0.00 H new ATOM 610 N VAL A 211 -5.909 1.125 -10.778 1.00 0.00 N ATOM 611 CA VAL A 211 -6.654 -0.151 -10.681 1.00 0.00 C ATOM 612 C VAL A 211 -5.785 -1.168 -9.958 1.00 0.00 C ATOM 613 O VAL A 211 -6.253 -1.952 -9.174 1.00 0.00 O ATOM 614 CB VAL A 211 -6.971 -0.639 -12.091 1.00 0.00 C ATOM 615 CG1 VAL A 211 -7.801 -1.924 -12.025 1.00 0.00 C ATOM 616 CG2 VAL A 211 -7.748 0.453 -12.829 1.00 0.00 C ATOM 0 H VAL A 211 -5.867 1.530 -11.713 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.584 -0.015 -10.129 1.00 0.00 H new ATOM 0 HB VAL A 211 -6.045 -0.853 -12.625 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.023 -2.266 -13.036 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -7.238 -2.694 -11.497 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -8.733 -1.728 -11.495 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -7.980 0.115 -13.839 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -8.674 0.664 -12.295 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -7.144 1.359 -12.880 1.00 0.00 H new ATOM 626 N TYR A 212 -4.511 -1.142 -10.205 1.00 0.00 N ATOM 627 CA TYR A 212 -3.615 -2.102 -9.505 1.00 0.00 C ATOM 628 C TYR A 212 -3.495 -1.667 -8.042 1.00 0.00 C ATOM 629 O TYR A 212 -3.581 -2.470 -7.136 1.00 0.00 O ATOM 630 CB TYR A 212 -2.241 -2.091 -10.181 1.00 0.00 C ATOM 631 CG TYR A 212 -1.333 -3.128 -9.556 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.410 -4.471 -9.956 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.399 -2.742 -8.589 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.549 -5.425 -9.386 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.455 -3.694 -8.020 1.00 0.00 C ATOM 636 CZ TYR A 212 0.382 -5.033 -8.419 1.00 0.00 C ATOM 637 OH TYR A 212 1.232 -5.965 -7.860 1.00 0.00 O ATOM 0 H TYR A 212 -4.051 -0.505 -10.855 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.018 -3.113 -9.552 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.352 -2.292 -11.247 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.792 -1.102 -10.088 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.131 -4.772 -10.702 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.337 -1.709 -8.281 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.606 -6.458 -9.694 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.173 -3.394 -7.271 1.00 0.00 H new ATOM 0 HH TYR A 212 1.663 -6.483 -8.572 1.00 0.00 H new ATOM 647 N LEU A 213 -3.315 -0.394 -7.813 1.00 0.00 N ATOM 648 CA LEU A 213 -3.207 0.115 -6.413 1.00 0.00 C ATOM 649 C LEU A 213 -4.531 -0.072 -5.683 1.00 0.00 C ATOM 650 O LEU A 213 -4.571 -0.471 -4.534 1.00 0.00 O ATOM 651 CB LEU A 213 -2.887 1.610 -6.438 1.00 0.00 C ATOM 652 CG LEU A 213 -1.506 1.843 -7.061 1.00 0.00 C ATOM 653 CD1 LEU A 213 -1.271 3.349 -7.231 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.411 1.235 -6.159 1.00 0.00 C ATOM 0 H LEU A 213 -3.238 0.319 -8.538 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.419 -0.438 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.647 2.143 -7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.910 2.012 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.464 1.359 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 213 -0.289 3.516 -7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -2.039 3.766 -7.883 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -1.318 3.837 -6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.567 1.405 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.445 1.706 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.580 0.163 -6.053 1.00 0.00 H new ATOM 666 N LYS A 214 -5.617 0.248 -6.331 1.00 0.00 N ATOM 667 CA LYS A 214 -6.942 0.119 -5.666 1.00 0.00 C ATOM 668 C LYS A 214 -7.183 -1.332 -5.259 1.00 0.00 C ATOM 669 O LYS A 214 -7.734 -1.605 -4.212 1.00 0.00 O ATOM 670 CB LYS A 214 -8.057 0.575 -6.610 1.00 0.00 C ATOM 671 CG LYS A 214 -7.994 2.101 -6.819 1.00 0.00 C ATOM 672 CD LYS A 214 -9.373 2.624 -7.246 1.00 0.00 C ATOM 673 CE LYS A 214 -9.756 2.058 -8.620 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.378 0.711 -8.452 1.00 0.00 N ATOM 0 H LYS A 214 -5.643 0.593 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.946 0.750 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.961 0.066 -7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -9.027 0.298 -6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.678 2.591 -5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.252 2.343 -7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -10.122 2.340 -6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.360 3.713 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -10.452 2.731 -9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -8.872 1.985 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -11.038 0.533 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -9.635 -0.017 -8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -10.894 0.677 -7.550 1.00 0.00 H new ATOM 688 N GLU A 215 -6.785 -2.269 -6.079 1.00 0.00 N ATOM 689 CA GLU A 215 -7.008 -3.697 -5.721 1.00 0.00 C ATOM 690 C GLU A 215 -6.215 -4.028 -4.456 1.00 0.00 C ATOM 691 O GLU A 215 -6.668 -4.770 -3.609 1.00 0.00 O ATOM 692 CB GLU A 215 -6.570 -4.611 -6.873 1.00 0.00 C ATOM 693 CG GLU A 215 -7.541 -4.467 -8.051 1.00 0.00 C ATOM 694 CD GLU A 215 -8.883 -5.115 -7.704 1.00 0.00 C ATOM 695 OE1 GLU A 215 -8.999 -5.653 -6.613 1.00 0.00 O ATOM 696 OE2 GLU A 215 -9.774 -5.059 -8.532 1.00 0.00 O ATOM 0 H GLU A 215 -6.320 -2.108 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 215 -8.070 -3.861 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.559 -4.353 -7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.544 -5.647 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -7.687 -3.413 -8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.120 -4.937 -8.940 1.00 0.00 H new ATOM 703 N ILE A 216 -5.039 -3.486 -4.319 1.00 0.00 N ATOM 704 CA ILE A 216 -4.234 -3.768 -3.098 1.00 0.00 C ATOM 705 C ILE A 216 -4.888 -3.094 -1.902 1.00 0.00 C ATOM 706 O ILE A 216 -5.023 -3.664 -0.838 1.00 0.00 O ATOM 707 CB ILE A 216 -2.827 -3.185 -3.266 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.116 -3.898 -4.417 1.00 0.00 C ATOM 709 CG2 ILE A 216 -2.032 -3.357 -1.966 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.792 -3.193 -4.724 1.00 0.00 C ATOM 0 H ILE A 216 -4.601 -2.862 -4.996 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.178 -4.846 -2.946 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.899 -2.121 -3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.932 -4.939 -4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.751 -3.901 -5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -1.033 -2.940 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.542 -2.836 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.955 -4.417 -1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.289 -3.705 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.988 -2.159 -5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.155 -3.213 -3.839 1.00 0.00 H new ATOM 722 N LEU A 217 -5.274 -1.867 -2.076 1.00 0.00 N ATOM 723 CA LEU A 217 -5.898 -1.108 -0.968 1.00 0.00 C ATOM 724 C LEU A 217 -7.246 -1.738 -0.607 1.00 0.00 C ATOM 725 O LEU A 217 -7.622 -1.794 0.539 1.00 0.00 O ATOM 726 CB LEU A 217 -6.063 0.344 -1.420 1.00 0.00 C ATOM 727 CG LEU A 217 -4.664 0.956 -1.664 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.792 2.293 -2.411 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.934 1.194 -0.324 1.00 0.00 C ATOM 0 H LEU A 217 -5.182 -1.351 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.272 -1.136 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.658 0.389 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.597 0.916 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 217 -4.088 0.254 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.800 2.714 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.281 2.128 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.386 2.987 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.951 1.625 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.517 1.880 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.818 0.246 0.200 1.00 0.00 H new ATOM 741 N LYS A 218 -7.972 -2.233 -1.558 1.00 0.00 N ATOM 742 CA LYS A 218 -9.269 -2.873 -1.213 1.00 0.00 C ATOM 743 C LYS A 218 -9.012 -4.082 -0.300 1.00 0.00 C ATOM 744 O LYS A 218 -9.825 -4.424 0.534 1.00 0.00 O ATOM 745 CB LYS A 218 -9.972 -3.330 -2.494 1.00 0.00 C ATOM 746 CG LYS A 218 -10.630 -2.121 -3.172 1.00 0.00 C ATOM 747 CD LYS A 218 -11.103 -2.505 -4.580 1.00 0.00 C ATOM 748 CE LYS A 218 -11.987 -1.393 -5.161 1.00 0.00 C ATOM 749 NZ LYS A 218 -11.205 -0.126 -5.248 1.00 0.00 N ATOM 0 H LYS A 218 -7.732 -2.225 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.905 -2.156 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.254 -3.794 -3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -10.724 -4.084 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.475 -1.775 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -9.921 -1.295 -3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -10.243 -2.672 -5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.660 -3.441 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -12.346 -1.679 -6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -12.866 -1.247 -4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -11.743 0.577 -5.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -11.028 0.239 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -10.297 -0.310 -5.721 1.00 0.00 H new ATOM 763 N GLU A 219 -7.901 -4.749 -0.478 1.00 0.00 N ATOM 764 CA GLU A 219 -7.606 -5.960 0.349 1.00 0.00 C ATOM 765 C GLU A 219 -7.175 -5.602 1.782 1.00 0.00 C ATOM 766 O GLU A 219 -7.547 -6.281 2.720 1.00 0.00 O ATOM 767 CB GLU A 219 -6.493 -6.764 -0.323 1.00 0.00 C ATOM 768 CG GLU A 219 -7.037 -7.409 -1.598 1.00 0.00 C ATOM 769 CD GLU A 219 -5.912 -8.146 -2.327 1.00 0.00 C ATOM 770 OE1 GLU A 219 -4.761 -7.830 -2.078 1.00 0.00 O ATOM 771 OE2 GLU A 219 -6.222 -9.014 -3.127 1.00 0.00 O ATOM 0 H GLU A 219 -7.183 -4.508 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.524 -6.544 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.651 -6.114 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.121 -7.531 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -7.839 -8.104 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -7.465 -6.646 -2.248 1.00 0.00 H new ATOM 778 N ILE A 220 -6.375 -4.578 1.966 1.00 0.00 N ATOM 779 CA ILE A 220 -5.907 -4.210 3.348 1.00 0.00 C ATOM 780 C ILE A 220 -6.130 -2.720 3.602 1.00 0.00 C ATOM 781 O ILE A 220 -5.822 -2.209 4.658 1.00 0.00 O ATOM 782 CB ILE A 220 -4.407 -4.501 3.460 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.656 -3.734 2.361 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.154 -6.004 3.301 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.150 -3.829 2.596 1.00 0.00 C ATOM 0 H ILE A 220 -6.024 -3.978 1.220 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.469 -4.792 4.079 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.050 -4.181 4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.907 -4.145 1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -3.967 -2.689 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.085 -6.204 3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.685 -6.547 4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.512 -6.332 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.624 -3.283 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.905 -3.397 3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.844 -4.875 2.577 1.00 0.00 H new ATOM 797 N GLY A 221 -6.622 -2.008 2.631 1.00 0.00 N ATOM 798 CA GLY A 221 -6.833 -0.540 2.800 1.00 0.00 C ATOM 799 C GLY A 221 -8.223 -0.255 3.359 1.00 0.00 C ATOM 800 O GLY A 221 -8.980 -1.148 3.688 1.00 0.00 O ATOM 0 H GLY A 221 -6.890 -2.379 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.076 -0.134 3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.712 -0.037 1.840 1.00 0.00 H new ATOM 804 N VAL A 222 -8.558 0.998 3.444 1.00 0.00 N ATOM 805 CA VAL A 222 -9.896 1.408 3.944 1.00 0.00 C ATOM 806 C VAL A 222 -10.261 2.671 3.179 1.00 0.00 C ATOM 807 O VAL A 222 -9.474 3.145 2.395 1.00 0.00 O ATOM 808 CB VAL A 222 -9.820 1.667 5.460 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.106 2.340 5.962 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.642 0.328 6.175 1.00 0.00 C ATOM 0 H VAL A 222 -7.948 1.772 3.182 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.652 0.638 3.789 1.00 0.00 H new ATOM 0 HB VAL A 222 -8.979 2.329 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.031 2.514 7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.243 3.292 5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.959 1.693 5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.586 0.495 7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.490 -0.319 5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.723 -0.147 5.833 1.00 0.00 H new ATOM 820 N GLN A 223 -11.430 3.214 3.359 1.00 0.00 N ATOM 821 CA GLN A 223 -11.801 4.446 2.592 1.00 0.00 C ATOM 822 C GLN A 223 -12.633 5.380 3.464 1.00 0.00 C ATOM 823 O GLN A 223 -13.316 4.967 4.379 1.00 0.00 O ATOM 824 CB GLN A 223 -12.604 4.042 1.350 1.00 0.00 C ATOM 825 CG GLN A 223 -13.056 5.287 0.565 1.00 0.00 C ATOM 826 CD GLN A 223 -11.843 6.114 0.139 1.00 0.00 C ATOM 827 OE1 GLN A 223 -11.113 5.726 -0.743 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.605 7.252 0.727 1.00 0.00 N ATOM 0 H GLN A 223 -12.144 2.866 3.998 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.894 4.969 2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -11.996 3.403 0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.475 3.458 1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.625 4.984 -0.314 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.720 5.893 1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.221 7.580 1.471 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.803 7.815 0.443 1.00 0.00 H new ATOM 837 N ASN A 224 -12.564 6.653 3.173 1.00 0.00 N ATOM 838 CA ASN A 224 -13.330 7.657 3.953 1.00 0.00 C ATOM 839 C ASN A 224 -13.607 8.873 3.059 1.00 0.00 C ATOM 840 O ASN A 224 -12.711 9.614 2.699 1.00 0.00 O ATOM 841 CB ASN A 224 -12.495 8.101 5.158 1.00 0.00 C ATOM 842 CG ASN A 224 -11.798 6.887 5.767 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.366 6.178 6.576 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.579 6.618 5.394 1.00 0.00 N ATOM 0 H ASN A 224 -12.000 7.040 2.416 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.270 7.224 4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.757 8.841 4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.134 8.578 5.901 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -10.094 5.808 5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.109 7.217 4.715 1.00 0.00 H new ATOM 851 N VAL A 225 -14.851 9.087 2.721 1.00 0.00 N ATOM 852 CA VAL A 225 -15.229 10.263 1.876 1.00 0.00 C ATOM 853 C VAL A 225 -15.603 11.398 2.822 1.00 0.00 C ATOM 854 O VAL A 225 -16.298 11.185 3.790 1.00 0.00 O ATOM 855 CB VAL A 225 -16.440 9.914 1.009 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.078 8.802 0.024 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.584 9.441 1.910 1.00 0.00 C ATOM 0 H VAL A 225 -15.632 8.491 2.997 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.403 10.547 1.224 1.00 0.00 H new ATOM 0 HB VAL A 225 -16.748 10.798 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -16.947 8.561 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.263 9.136 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.766 7.915 0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.450 9.191 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.267 8.560 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.850 10.235 2.607 1.00 0.00 H new ATOM 867 N LYS A 226 -15.109 12.585 2.592 1.00 0.00 N ATOM 868 CA LYS A 226 -15.394 13.715 3.536 1.00 0.00 C ATOM 869 C LYS A 226 -15.967 14.932 2.795 1.00 0.00 C ATOM 870 O LYS A 226 -16.485 14.815 1.702 1.00 0.00 O ATOM 871 CB LYS A 226 -14.075 14.071 4.219 1.00 0.00 C ATOM 872 CG LYS A 226 -13.368 12.757 4.593 1.00 0.00 C ATOM 873 CD LYS A 226 -12.098 13.027 5.400 1.00 0.00 C ATOM 874 CE LYS A 226 -12.439 13.731 6.727 1.00 0.00 C ATOM 875 NZ LYS A 226 -11.458 13.323 7.780 1.00 0.00 N ATOM 0 H LYS A 226 -14.521 12.825 1.794 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.144 13.415 4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.449 14.665 3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.256 14.674 5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -14.044 12.128 5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -13.117 12.205 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.582 12.088 5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.416 13.647 4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -12.415 14.812 6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -13.451 13.471 7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -11.691 13.800 8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -11.502 12.293 7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -10.498 13.593 7.484 1.00 0.00 H new ATOM 889 N GLY A 227 -15.890 16.090 3.415 1.00 0.00 N ATOM 890 CA GLY A 227 -16.433 17.355 2.812 1.00 0.00 C ATOM 891 C GLY A 227 -16.348 17.331 1.280 1.00 0.00 C ATOM 892 O GLY A 227 -17.217 16.804 0.614 1.00 0.00 O ATOM 0 H GLY A 227 -15.464 16.214 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -17.471 17.488 3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -15.876 18.210 3.195 1.00 0.00 H new ATOM 896 N ILE A 228 -15.319 17.900 0.710 1.00 0.00 N ATOM 897 CA ILE A 228 -15.209 17.901 -0.779 1.00 0.00 C ATOM 898 C ILE A 228 -14.931 16.474 -1.270 1.00 0.00 C ATOM 899 O ILE A 228 -14.141 16.248 -2.166 1.00 0.00 O ATOM 900 CB ILE A 228 -14.097 18.871 -1.216 1.00 0.00 C ATOM 901 CG1 ILE A 228 -12.751 18.458 -0.611 1.00 0.00 C ATOM 902 CG2 ILE A 228 -14.450 20.283 -0.747 1.00 0.00 C ATOM 903 CD1 ILE A 228 -11.649 19.390 -1.126 1.00 0.00 C ATOM 0 H ILE A 228 -14.556 18.361 1.206 1.00 0.00 H new ATOM 0 HA ILE A 228 -16.145 18.240 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 228 -14.014 18.845 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -12.801 18.503 0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -12.522 17.426 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -13.666 20.975 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -15.397 20.588 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -14.539 20.294 0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -10.692 19.095 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -11.594 19.322 -2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -11.876 20.416 -0.837 1.00 0.00 H new ATOM 915 N HIS A 229 -15.597 15.504 -0.680 1.00 0.00 N ATOM 916 CA HIS A 229 -15.403 14.079 -1.085 1.00 0.00 C ATOM 917 C HIS A 229 -13.908 13.723 -1.025 1.00 0.00 C ATOM 918 O HIS A 229 -13.372 13.132 -1.940 1.00 0.00 O ATOM 919 CB HIS A 229 -15.925 13.865 -2.520 1.00 0.00 C ATOM 920 CG HIS A 229 -17.381 14.253 -2.623 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.408 13.412 -2.212 1.00 0.00 N ATOM 922 CD2 HIS A 229 -17.995 15.380 -3.111 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.572 14.045 -2.457 1.00 0.00 C ATOM 924 NE2 HIS A 229 -19.378 15.247 -3.004 1.00 0.00 N ATOM 0 H HIS A 229 -16.272 15.645 0.072 1.00 0.00 H new ATOM 0 HA HIS A 229 -15.958 13.436 -0.401 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -15.335 14.458 -3.219 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -15.801 12.820 -2.805 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -17.483 16.240 -3.517 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.545 13.630 -2.237 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.089 15.923 -3.284 1.00 0.00 H new ATOM 932 N LYS A 230 -13.221 14.083 0.037 1.00 0.00 N ATOM 933 CA LYS A 230 -11.759 13.762 0.110 1.00 0.00 C ATOM 934 C LYS A 230 -11.566 12.256 0.271 1.00 0.00 C ATOM 935 O LYS A 230 -11.828 11.690 1.313 1.00 0.00 O ATOM 936 CB LYS A 230 -11.104 14.494 1.290 1.00 0.00 C ATOM 937 CG LYS A 230 -11.215 16.002 1.055 1.00 0.00 C ATOM 938 CD LYS A 230 -10.457 16.781 2.143 1.00 0.00 C ATOM 939 CE LYS A 230 -11.335 16.933 3.387 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.612 17.752 4.402 1.00 0.00 N ATOM 0 H LYS A 230 -13.603 14.577 0.843 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.286 14.093 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.595 14.220 2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.058 14.202 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -10.811 16.252 0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.264 16.298 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -9.535 16.259 2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -10.172 17.764 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -12.279 17.409 3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -11.576 15.953 3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -11.206 17.858 5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -9.722 17.279 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -10.404 18.691 4.006 1.00 0.00 H new ATOM 954 N ASN A 231 -11.097 11.612 -0.760 1.00 0.00 N ATOM 955 CA ASN A 231 -10.871 10.147 -0.694 1.00 0.00 C ATOM 956 C ASN A 231 -9.604 9.872 0.102 1.00 0.00 C ATOM 957 O ASN A 231 -8.548 10.326 -0.259 1.00 0.00 O ATOM 958 CB ASN A 231 -10.681 9.607 -2.119 1.00 0.00 C ATOM 959 CG ASN A 231 -11.647 10.311 -3.067 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.823 10.004 -3.100 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.193 11.265 -3.838 1.00 0.00 N ATOM 0 H ASN A 231 -10.859 12.044 -1.653 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.724 9.664 -0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.654 9.768 -2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.857 8.531 -2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -11.826 11.755 -4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.206 11.519 -3.807 1.00 0.00 H new ATOM 968 N THR A 232 -9.682 9.120 1.164 1.00 0.00 N ATOM 969 CA THR A 232 -8.447 8.810 1.946 1.00 0.00 C ATOM 970 C THR A 232 -8.397 7.314 2.176 1.00 0.00 C ATOM 971 O THR A 232 -9.388 6.700 2.527 1.00 0.00 O ATOM 972 CB THR A 232 -8.474 9.545 3.284 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.580 9.104 4.051 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.591 11.044 3.032 1.00 0.00 C ATOM 0 H THR A 232 -10.542 8.707 1.525 1.00 0.00 H new ATOM 0 HA THR A 232 -7.564 9.136 1.396 1.00 0.00 H new ATOM 0 HB THR A 232 -7.555 9.337 3.831 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.592 9.577 4.909 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.611 11.573 3.985 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.736 11.382 2.447 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.510 11.250 2.484 1.00 0.00 H new ATOM 982 N TRP A 233 -7.249 6.720 1.971 1.00 0.00 N ATOM 983 CA TRP A 233 -7.097 5.250 2.163 1.00 0.00 C ATOM 984 C TRP A 233 -6.184 5.001 3.356 1.00 0.00 C ATOM 985 O TRP A 233 -5.275 5.767 3.626 1.00 0.00 O ATOM 986 CB TRP A 233 -6.531 4.619 0.879 1.00 0.00 C ATOM 987 CG TRP A 233 -7.616 4.592 -0.162 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.932 5.611 -0.998 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.545 3.512 -0.467 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.998 5.221 -1.792 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.408 3.934 -1.505 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.719 2.217 0.053 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.411 3.099 -2.008 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.724 1.377 -0.450 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.567 1.817 -1.477 1.00 0.00 C ATOM 0 H TRP A 233 -6.400 7.200 1.674 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.064 4.789 2.364 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.677 5.193 0.520 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.174 3.609 1.080 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.435 6.569 -1.038 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.428 5.813 -2.503 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -8.074 1.866 0.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -11.059 3.443 -2.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.848 0.385 -0.042 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -11.338 1.165 -1.859 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.451 3.957 4.106 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.631 3.667 5.319 1.00 0.00 C ATOM 1008 C GLU A 234 -5.398 2.154 5.427 1.00 0.00 C ATOM 1009 O GLU A 234 -6.323 1.373 5.347 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.408 4.140 6.555 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.908 5.576 6.344 1.00 0.00 C ATOM 1012 CD GLU A 234 -8.126 5.573 5.426 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.917 4.649 5.523 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -8.256 6.503 4.648 1.00 0.00 O ATOM 0 H GLU A 234 -7.205 3.293 3.927 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.672 4.180 5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.252 3.476 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.768 4.095 7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -7.166 6.025 7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -6.116 6.186 5.909 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.171 1.736 5.620 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.889 0.270 5.746 1.00 0.00 C ATOM 1023 C LEU A 235 -4.413 -0.223 7.090 1.00 0.00 C ATOM 1024 O LEU A 235 -3.729 -0.130 8.091 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.376 0.018 5.686 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.810 0.496 4.346 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.285 0.382 4.369 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -2.367 -0.356 3.196 1.00 0.00 C ATOM 0 H LEU A 235 -3.355 2.343 5.696 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.378 -0.259 4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.881 0.540 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.172 -1.045 5.816 1.00 0.00 H new ATOM 0 HG LEU A 235 -2.102 1.534 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.120 0.722 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.114 1.000 5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -0.000 -0.657 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.955 -0.004 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.088 -1.399 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.453 -0.271 3.173 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.609 -0.753 7.148 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.096 -1.231 8.469 1.00 0.00 C ATOM 1042 C LYS A 236 -5.095 -2.285 9.002 1.00 0.00 C ATOM 1043 O LYS A 236 -4.907 -3.313 8.389 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.505 -1.841 8.352 1.00 0.00 C ATOM 1045 CG LYS A 236 -7.629 -2.705 7.092 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.012 -3.378 7.078 1.00 0.00 C ATOM 1047 CE LYS A 236 -9.287 -4.025 5.710 1.00 0.00 C ATOM 1048 NZ LYS A 236 -10.632 -4.673 5.731 1.00 0.00 N ATOM 0 H LYS A 236 -6.249 -0.872 6.363 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.162 -0.390 9.159 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -7.717 -2.446 9.234 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -8.249 -1.044 8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -7.501 -2.091 6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -6.843 -3.460 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -9.062 -4.135 7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.783 -2.640 7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -9.246 -3.271 4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -8.518 -4.764 5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -10.821 -5.111 4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -10.654 -5.403 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.359 -3.957 5.929 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.440 -2.037 10.123 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.444 -2.991 10.714 1.00 0.00 C ATOM 1064 C PRO A 237 -4.122 -4.054 11.578 1.00 0.00 C ATOM 1065 O PRO A 237 -3.489 -4.765 12.332 1.00 0.00 O ATOM 1066 CB PRO A 237 -2.591 -2.081 11.588 1.00 0.00 C ATOM 1067 CG PRO A 237 -3.564 -1.078 12.109 1.00 0.00 C ATOM 1068 CD PRO A 237 -4.564 -0.834 10.972 1.00 0.00 C ATOM 0 HA PRO A 237 -2.886 -3.539 9.955 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -2.115 -2.635 12.397 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -1.795 -1.606 11.015 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -4.069 -1.450 13.000 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -3.059 -0.154 12.391 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -5.579 -0.716 11.352 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -4.324 0.073 10.417 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.410 -4.109 11.503 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.194 -5.057 12.340 1.00 0.00 C ATOM 1078 C GLU A 238 -5.688 -6.494 12.205 1.00 0.00 C ATOM 1079 O GLU A 238 -5.670 -7.232 13.171 1.00 0.00 O ATOM 1080 CB GLU A 238 -7.658 -4.987 11.900 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.228 -3.624 12.291 1.00 0.00 C ATOM 1082 CD GLU A 238 -9.738 -3.588 12.036 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -10.272 -4.589 11.583 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -10.333 -2.556 12.304 1.00 0.00 O ATOM 0 H GLU A 238 -5.972 -3.525 10.884 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.084 -4.771 13.386 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -7.735 -5.133 10.823 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.232 -5.785 12.371 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.025 -3.425 13.343 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -7.736 -2.838 11.718 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.299 -6.915 11.027 1.00 0.00 N ATOM 1092 CA TYR A 239 -4.820 -8.327 10.849 1.00 0.00 C ATOM 1093 C TYR A 239 -3.507 -8.377 10.063 1.00 0.00 C ATOM 1094 O TYR A 239 -3.141 -9.409 9.536 1.00 0.00 O ATOM 1095 CB TYR A 239 -5.887 -9.122 10.116 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.076 -8.554 8.738 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -6.739 -7.338 8.584 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.604 -9.244 7.619 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -6.937 -6.803 7.316 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.805 -8.717 6.342 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.472 -7.493 6.186 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.684 -6.980 4.926 1.00 0.00 O ATOM 0 H TYR A 239 -5.291 -6.346 10.181 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.636 -8.758 11.833 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.595 -10.170 10.052 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -6.826 -9.086 10.668 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.101 -6.809 9.453 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -5.085 -10.183 7.741 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.448 -5.858 7.201 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.447 -9.252 5.475 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.615 -7.136 4.661 1.00 0.00 H new ATOM 1112 N ARG A 240 -2.771 -7.299 9.992 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.477 -7.361 9.254 1.00 0.00 C ATOM 1114 C ARG A 240 -0.458 -8.135 10.093 1.00 0.00 C ATOM 1115 O ARG A 240 0.188 -7.596 10.969 1.00 0.00 O ATOM 1116 CB ARG A 240 -0.944 -5.945 8.946 1.00 0.00 C ATOM 1117 CG ARG A 240 -1.591 -5.393 7.650 1.00 0.00 C ATOM 1118 CD ARG A 240 -0.861 -5.935 6.388 1.00 0.00 C ATOM 1119 NE ARG A 240 -0.641 -4.823 5.418 1.00 0.00 N ATOM 1120 CZ ARG A 240 0.218 -4.976 4.445 1.00 0.00 C ATOM 1121 NH1 ARG A 240 0.842 -6.115 4.303 1.00 0.00 N ATOM 1122 NH2 ARG A 240 0.449 -3.994 3.612 1.00 0.00 N ATOM 0 H ARG A 240 -3.004 -6.396 10.404 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.638 -7.871 8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.161 -5.278 9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 240 0.140 -5.974 8.835 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.643 -5.676 7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -1.554 -4.304 7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 240 0.094 -6.378 6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -1.453 -6.723 5.924 1.00 0.00 H new ATOM 0 HE ARG A 240 -1.158 -3.949 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 240 0.658 -6.881 4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 240 1.513 -6.238 3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -0.042 -3.107 3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 240 1.120 -4.116 2.853 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.306 -9.398 9.801 1.00 0.00 N ATOM 1137 CA HIS A 241 0.677 -10.241 10.534 1.00 0.00 C ATOM 1138 C HIS A 241 2.065 -9.790 10.107 1.00 0.00 C ATOM 1139 O HIS A 241 3.041 -9.914 10.824 1.00 0.00 O ATOM 1140 CB HIS A 241 0.456 -11.700 10.137 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.934 -12.107 10.531 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -1.219 -12.684 11.758 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -2.134 -12.019 9.868 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.545 -12.919 11.794 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -3.149 -12.531 10.668 1.00 0.00 N ATOM 0 H HIS A 241 -0.830 -9.887 9.075 1.00 0.00 H new ATOM 0 HA HIS A 241 0.565 -10.145 11.614 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.594 -11.823 9.063 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.189 -12.339 10.628 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -2.268 -11.614 8.876 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -3.058 -13.367 12.632 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -4.142 -12.596 10.443 1.00 0.00 H new ATOM 1153 N TYR A 242 2.137 -9.252 8.928 1.00 0.00 N ATOM 1154 CA TYR A 242 3.421 -8.753 8.385 1.00 0.00 C ATOM 1155 C TYR A 242 3.659 -7.328 8.889 1.00 0.00 C ATOM 1156 O TYR A 242 2.762 -6.512 8.919 1.00 0.00 O ATOM 1157 CB TYR A 242 3.327 -8.771 6.855 1.00 0.00 C ATOM 1158 CG TYR A 242 4.444 -7.953 6.251 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.767 -8.393 6.330 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.146 -6.740 5.615 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.795 -7.622 5.772 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.168 -5.974 5.059 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.495 -6.411 5.134 1.00 0.00 C ATOM 1164 OH TYR A 242 7.502 -5.648 4.584 1.00 0.00 O ATOM 0 H TYR A 242 1.339 -9.135 8.304 1.00 0.00 H new ATOM 0 HA TYR A 242 4.252 -9.379 8.710 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.382 -9.798 6.493 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.363 -8.372 6.538 1.00 0.00 H new ATOM 0 HD1 TYR A 242 5.997 -9.327 6.821 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.123 -6.399 5.556 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.819 -7.961 5.834 1.00 0.00 H new ATOM 0 HE2 TYR A 242 4.935 -5.040 4.569 1.00 0.00 H new ATOM 0 HH TYR A 242 7.118 -4.842 4.181 1.00 0.00 H new ATOM 1174 N GLN A 243 4.869 -7.028 9.285 1.00 0.00 N ATOM 1175 CA GLN A 243 5.197 -5.660 9.789 1.00 0.00 C ATOM 1176 C GLN A 243 6.517 -5.200 9.174 1.00 0.00 C ATOM 1177 O GLN A 243 6.886 -5.616 8.094 1.00 0.00 O ATOM 1178 CB GLN A 243 5.334 -5.699 11.312 1.00 0.00 C ATOM 1179 CG GLN A 243 3.979 -6.033 11.934 1.00 0.00 C ATOM 1180 CD GLN A 243 3.007 -4.870 11.723 1.00 0.00 C ATOM 1181 OE1 GLN A 243 3.327 -3.732 12.010 1.00 0.00 O ATOM 1182 NE2 GLN A 243 1.821 -5.110 11.232 1.00 0.00 N ATOM 0 H GLN A 243 5.653 -7.680 9.281 1.00 0.00 H new ATOM 0 HA GLN A 243 4.402 -4.968 9.512 1.00 0.00 H new ATOM 0 HB2 GLN A 243 6.074 -6.445 11.603 1.00 0.00 H new ATOM 0 HB3 GLN A 243 5.689 -4.737 11.681 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.577 -6.941 11.484 1.00 0.00 H new ATOM 0 HG3 GLN A 243 4.097 -6.231 12.999 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.552 -6.064 10.991 1.00 0.00 H new ATOM 0 HE22 GLN A 243 1.163 -4.343 11.089 1.00 0.00 H new TER 1191 GLN A 243