USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 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= -1.37! C(o=-1.8!,f=-1.6!) USER MOD Set 1.2: A 232 THR OG1 : rot -71:sc= -0.414 USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= -4.54! C(o=-4.5!,f=-4.2!) USER MOD Single : A 182 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 SER OG : rot -62:sc= 0.679 USER MOD Single : A 193 LYS NZ :NH3+ 163:sc= -0.0216 (180deg=-0.371) USER MOD Single : A 194 HIS : no HE2:sc= -1.17! C(o=-1.2!,f=-6!) USER MOD Single : A 195 GLN : amide:sc= -7.47! C(o=-7.5!,f=-12!) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 180:sc= -0.798 USER MOD Single : A 198 ASN : amide:sc= -4.8! C(o=-4.8!,f=-18!) USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot 40:sc= 0.401 USER MOD Single : A 207 LYS NZ :NH3+ -161:sc= -0.0314 (180deg=-0.367) USER MOD Single : A 208 GLN : amide:sc= -2.82! C(o=-2.8!,f=-3.9!) USER MOD Single : A 212 TYR OH : rot 50:sc= -1.05 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ 159:sc= -0.0537 (180deg=-0.504) USER MOD Single : A 223 GLN : amide:sc= -13.8! C(o=-14!,f=-1.1!) USER MOD Single : A 226 LYS NZ :NH3+ -117:sc= -1.01 (180deg=-3.07!) 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= -0.0596 X(o=-0.06,f=-0.06) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 239 TYR OH : rot -56:sc= -1.46! USER MOD Single : A 241 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 242 TYR OH : rot 180:sc= 0 USER MOD Single : A 243 GLN : amide:sc= -0.0138 K(o=-0.014,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 3.760 -9.015 -14.666 1.00 0.00 N ATOM 2 CA ARG A 175 3.942 -8.312 -13.363 1.00 0.00 C ATOM 3 C ARG A 175 3.886 -9.343 -12.246 1.00 0.00 C ATOM 4 O ARG A 175 2.840 -9.858 -11.922 1.00 0.00 O ATOM 5 CB ARG A 175 2.822 -7.285 -13.160 1.00 0.00 C ATOM 6 CG ARG A 175 2.919 -6.697 -11.748 1.00 0.00 C ATOM 7 CD ARG A 175 2.176 -5.357 -11.718 1.00 0.00 C ATOM 8 NE ARG A 175 2.856 -4.376 -12.613 1.00 0.00 N ATOM 9 CZ ARG A 175 2.225 -3.286 -12.982 1.00 0.00 C ATOM 10 NH1 ARG A 175 1.024 -3.039 -12.513 1.00 0.00 N ATOM 11 NH2 ARG A 175 2.792 -2.439 -13.807 1.00 0.00 N ATOM 0 HA ARG A 175 4.902 -7.795 -13.356 1.00 0.00 H new ATOM 0 HB2 ARG A 175 2.903 -6.491 -13.903 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.850 -7.758 -13.303 1.00 0.00 H new ATOM 0 HG2 ARG A 175 2.485 -7.385 -11.022 1.00 0.00 H new ATOM 0 HG3 ARG A 175 3.963 -6.556 -11.469 1.00 0.00 H new ATOM 0 HD2 ARG A 175 1.143 -5.497 -12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 175 2.145 -4.972 -10.699 1.00 0.00 H new ATOM 0 HE ARG A 175 3.807 -4.552 -12.937 1.00 0.00 H new ATOM 0 HH11 ARG A 175 0.585 -3.693 -11.865 1.00 0.00 H new ATOM 0 HH12 ARG A 175 0.530 -2.193 -12.797 1.00 0.00 H new ATOM 0 HH21 ARG A 175 3.728 -2.626 -14.166 1.00 0.00 H new ATOM 0 HH22 ARG A 175 2.297 -1.594 -14.090 1.00 0.00 H new ATOM 25 N ALA A 176 5.008 -9.658 -11.665 1.00 0.00 N ATOM 26 CA ALA A 176 5.020 -10.672 -10.576 1.00 0.00 C ATOM 27 C ALA A 176 4.471 -10.074 -9.290 1.00 0.00 C ATOM 28 O ALA A 176 4.306 -8.879 -9.163 1.00 0.00 O ATOM 29 CB ALA A 176 6.442 -11.166 -10.342 1.00 0.00 C ATOM 0 H ALA A 176 5.917 -9.258 -11.897 1.00 0.00 H new ATOM 0 HA ALA A 176 4.390 -11.510 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 176 6.443 -11.908 -9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 176 6.826 -11.617 -11.257 1.00 0.00 H new ATOM 0 HB3 ALA A 176 7.077 -10.327 -10.058 1.00 0.00 H new ATOM 35 N ARG A 177 4.174 -10.910 -8.339 1.00 0.00 N ATOM 36 CA ARG A 177 3.615 -10.417 -7.059 1.00 0.00 C ATOM 37 C ARG A 177 4.703 -9.635 -6.328 1.00 0.00 C ATOM 38 O ARG A 177 4.483 -9.058 -5.286 1.00 0.00 O ATOM 39 CB ARG A 177 3.165 -11.615 -6.225 1.00 0.00 C ATOM 40 CG ARG A 177 2.238 -11.164 -5.089 1.00 0.00 C ATOM 41 CD ARG A 177 0.876 -10.693 -5.653 1.00 0.00 C ATOM 42 NE ARG A 177 -0.217 -11.066 -4.701 1.00 0.00 N ATOM 43 CZ ARG A 177 -0.450 -12.308 -4.401 1.00 0.00 C ATOM 44 NH1 ARG A 177 0.228 -13.258 -4.989 1.00 0.00 N ATOM 45 NH2 ARG A 177 -1.372 -12.602 -3.529 1.00 0.00 N ATOM 0 H ARG A 177 4.296 -11.921 -8.396 1.00 0.00 H new ATOM 0 HA ARG A 177 2.758 -9.766 -7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 177 2.647 -12.334 -6.860 1.00 0.00 H new ATOM 0 HB3 ARG A 177 4.035 -12.124 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 177 2.084 -11.986 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 177 2.706 -10.354 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 177 0.887 -9.614 -5.805 1.00 0.00 H new ATOM 0 HD3 ARG A 177 0.696 -11.150 -6.626 1.00 0.00 H new ATOM 0 HE ARG A 177 -0.788 -10.333 -4.281 1.00 0.00 H new ATOM 0 HH11 ARG A 177 0.939 -13.023 -5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 177 0.047 -14.234 -4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -1.909 -11.858 -3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -1.557 -13.577 -3.291 1.00 0.00 H new ATOM 59 N ALA A 178 5.873 -9.593 -6.899 1.00 0.00 N ATOM 60 CA ALA A 178 6.986 -8.830 -6.285 1.00 0.00 C ATOM 61 C ALA A 178 6.559 -7.375 -6.258 1.00 0.00 C ATOM 62 O ALA A 178 6.783 -6.647 -5.309 1.00 0.00 O ATOM 63 CB ALA A 178 8.212 -8.955 -7.179 1.00 0.00 C ATOM 0 H ALA A 178 6.105 -10.061 -7.775 1.00 0.00 H new ATOM 0 HA ALA A 178 7.217 -9.199 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 178 9.040 -8.398 -6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 178 8.489 -10.005 -7.272 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.986 -8.551 -8.166 1.00 0.00 H new ATOM 69 N ASP A 179 5.920 -6.967 -7.315 1.00 0.00 N ATOM 70 CA ASP A 179 5.431 -5.576 -7.407 1.00 0.00 C ATOM 71 C ASP A 179 4.473 -5.332 -6.250 1.00 0.00 C ATOM 72 O ASP A 179 4.593 -4.372 -5.534 1.00 0.00 O ATOM 73 CB ASP A 179 4.692 -5.405 -8.738 1.00 0.00 C ATOM 74 CG ASP A 179 5.715 -5.213 -9.859 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.872 -5.528 -9.633 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.330 -4.746 -10.914 1.00 0.00 O ATOM 0 H ASP A 179 5.715 -7.549 -8.127 1.00 0.00 H new ATOM 0 HA ASP A 179 6.258 -4.867 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 179 4.074 -6.280 -8.939 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.023 -4.546 -8.689 1.00 0.00 H new ATOM 81 N LYS A 180 3.534 -6.207 -6.042 1.00 0.00 N ATOM 82 CA LYS A 180 2.594 -6.001 -4.904 1.00 0.00 C ATOM 83 C LYS A 180 3.388 -5.885 -3.603 1.00 0.00 C ATOM 84 O LYS A 180 3.241 -4.941 -2.855 1.00 0.00 O ATOM 85 CB LYS A 180 1.647 -7.195 -4.804 1.00 0.00 C ATOM 86 CG LYS A 180 0.681 -6.992 -3.635 1.00 0.00 C ATOM 87 CD LYS A 180 -0.289 -8.163 -3.584 1.00 0.00 C ATOM 88 CE LYS A 180 -1.228 -8.009 -2.391 1.00 0.00 C ATOM 89 NZ LYS A 180 -2.200 -9.144 -2.376 1.00 0.00 N ATOM 0 H LYS A 180 3.375 -7.046 -6.600 1.00 0.00 H new ATOM 0 HA LYS A 180 2.021 -5.089 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.089 -7.308 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.218 -8.113 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.234 -6.920 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.135 -6.056 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -0.866 -8.209 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 180 0.262 -9.100 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -0.656 -7.993 -1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -1.761 -7.060 -2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -2.841 -9.041 -1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -2.753 -9.139 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -1.683 -10.043 -2.297 1.00 0.00 H new ATOM 103 N GLN A 181 4.222 -6.848 -3.328 1.00 0.00 N ATOM 104 CA GLN A 181 5.023 -6.810 -2.077 1.00 0.00 C ATOM 105 C GLN A 181 5.933 -5.591 -2.089 1.00 0.00 C ATOM 106 O GLN A 181 6.023 -4.859 -1.122 1.00 0.00 O ATOM 107 CB GLN A 181 5.856 -8.090 -1.988 1.00 0.00 C ATOM 108 CG GLN A 181 6.523 -8.172 -0.616 1.00 0.00 C ATOM 109 CD GLN A 181 7.731 -7.234 -0.572 1.00 0.00 C ATOM 110 OE1 GLN A 181 8.761 -7.518 -1.146 1.00 0.00 O ATOM 111 NE2 GLN A 181 7.644 -6.111 0.084 1.00 0.00 N ATOM 0 H GLN A 181 4.383 -7.663 -3.920 1.00 0.00 H new ATOM 0 HA GLN A 181 4.363 -6.743 -1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.221 -8.961 -2.148 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.613 -8.099 -2.773 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.810 -7.899 0.162 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.838 -9.196 -0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.779 -5.869 0.568 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.440 -5.474 0.113 1.00 0.00 H new ATOM 120 N HIS A 182 6.592 -5.362 -3.188 1.00 0.00 N ATOM 121 CA HIS A 182 7.491 -4.191 -3.305 1.00 0.00 C ATOM 122 C HIS A 182 6.652 -2.908 -3.247 1.00 0.00 C ATOM 123 O HIS A 182 7.054 -1.904 -2.686 1.00 0.00 O ATOM 124 CB HIS A 182 8.211 -4.295 -4.650 1.00 0.00 C ATOM 125 CG HIS A 182 9.176 -3.161 -4.822 1.00 0.00 C ATOM 126 ND1 HIS A 182 10.211 -2.906 -3.937 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.272 -2.210 -5.797 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.882 -1.833 -4.400 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.349 -1.370 -5.533 1.00 0.00 N ATOM 0 H HIS A 182 6.543 -5.948 -4.021 1.00 0.00 H new ATOM 0 HA HIS A 182 8.218 -4.167 -2.493 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.743 -5.244 -4.711 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.482 -4.285 -5.460 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.611 -2.123 -6.646 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.745 -1.401 -3.914 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.664 -0.573 -6.086 1.00 0.00 H new ATOM 137 N VAL A 183 5.481 -2.942 -3.830 1.00 0.00 N ATOM 138 CA VAL A 183 4.592 -1.742 -3.836 1.00 0.00 C ATOM 139 C VAL A 183 4.066 -1.466 -2.430 1.00 0.00 C ATOM 140 O VAL A 183 3.939 -0.326 -2.025 1.00 0.00 O ATOM 141 CB VAL A 183 3.426 -1.985 -4.811 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.336 -0.908 -4.613 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.960 -1.935 -6.266 1.00 0.00 C ATOM 0 H VAL A 183 5.099 -3.759 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 183 5.158 -0.870 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 183 2.989 -2.964 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.516 -1.089 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.962 -0.952 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.760 0.078 -4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 183 3.138 -2.107 -6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.400 -0.957 -6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.718 -2.707 -6.402 1.00 0.00 H new ATOM 153 N LEU A 184 3.771 -2.483 -1.667 1.00 0.00 N ATOM 154 CA LEU A 184 3.281 -2.217 -0.288 1.00 0.00 C ATOM 155 C LEU A 184 4.351 -1.419 0.444 1.00 0.00 C ATOM 156 O LEU A 184 4.058 -0.489 1.168 1.00 0.00 O ATOM 157 CB LEU A 184 3.034 -3.532 0.457 1.00 0.00 C ATOM 158 CG LEU A 184 1.766 -4.214 -0.067 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.695 -5.642 0.487 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.511 -3.429 0.375 1.00 0.00 C ATOM 0 H LEU A 184 3.846 -3.465 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 184 2.343 -1.664 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.890 -4.195 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.936 -3.339 1.525 1.00 0.00 H new ATOM 0 HG LEU A 184 1.800 -4.238 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.794 -6.131 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.572 -6.202 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.668 -5.609 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.382 -3.926 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.470 -3.392 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.558 -2.415 -0.021 1.00 0.00 H new ATOM 172 N ASP A 185 5.597 -1.758 0.252 1.00 0.00 N ATOM 173 CA ASP A 185 6.672 -0.999 0.938 1.00 0.00 C ATOM 174 C ASP A 185 6.517 0.480 0.600 1.00 0.00 C ATOM 175 O ASP A 185 6.663 1.341 1.446 1.00 0.00 O ATOM 176 CB ASP A 185 8.040 -1.483 0.465 1.00 0.00 C ATOM 177 CG ASP A 185 8.306 -2.898 0.995 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.912 -3.173 2.116 1.00 0.00 O ATOM 179 OD2 ASP A 185 8.905 -3.679 0.276 1.00 0.00 O ATOM 0 H ASP A 185 5.912 -2.522 -0.346 1.00 0.00 H new ATOM 0 HA ASP A 185 6.596 -1.152 2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.080 -1.480 -0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.817 -0.803 0.814 1.00 0.00 H new ATOM 184 N MET A 186 6.211 0.788 -0.631 1.00 0.00 N ATOM 185 CA MET A 186 6.039 2.220 -1.004 1.00 0.00 C ATOM 186 C MET A 186 4.899 2.807 -0.185 1.00 0.00 C ATOM 187 O MET A 186 4.918 3.961 0.196 1.00 0.00 O ATOM 188 CB MET A 186 5.696 2.336 -2.490 1.00 0.00 C ATOM 189 CG MET A 186 6.831 1.752 -3.328 1.00 0.00 C ATOM 190 SD MET A 186 8.352 2.699 -3.056 1.00 0.00 S ATOM 191 CE MET A 186 9.411 1.747 -4.172 1.00 0.00 C ATOM 0 H MET A 186 6.074 0.117 -1.387 1.00 0.00 H new ATOM 0 HA MET A 186 6.965 2.759 -0.807 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.766 1.807 -2.701 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.536 3.381 -2.755 1.00 0.00 H new ATOM 0 HG2 MET A 186 6.991 0.707 -3.061 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.563 1.774 -4.384 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.418 2.164 -4.162 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.445 0.708 -3.843 1.00 0.00 H new ATOM 0 HE3 MET A 186 9.009 1.794 -5.184 1.00 0.00 H new ATOM 201 N LEU A 187 3.900 2.031 0.094 1.00 0.00 N ATOM 202 CA LEU A 187 2.779 2.567 0.889 1.00 0.00 C ATOM 203 C LEU A 187 3.259 2.844 2.308 1.00 0.00 C ATOM 204 O LEU A 187 2.959 3.872 2.871 1.00 0.00 O ATOM 205 CB LEU A 187 1.641 1.553 0.912 1.00 0.00 C ATOM 206 CG LEU A 187 1.213 1.210 -0.522 1.00 0.00 C ATOM 207 CD1 LEU A 187 0.014 0.256 -0.463 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.841 2.498 -1.282 1.00 0.00 C ATOM 0 H LEU A 187 3.813 1.056 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 187 2.419 3.494 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 187 1.959 0.649 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.794 1.957 1.466 1.00 0.00 H new ATOM 0 HG LEU A 187 2.035 0.728 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.301 0.004 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.299 -0.654 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.810 0.739 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.539 2.246 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 187 0.017 2.997 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.704 3.163 -1.315 1.00 0.00 H new ATOM 220 N PHE A 188 4.008 1.943 2.893 1.00 0.00 N ATOM 221 CA PHE A 188 4.500 2.181 4.281 1.00 0.00 C ATOM 222 C PHE A 188 5.281 3.484 4.325 1.00 0.00 C ATOM 223 O PHE A 188 5.123 4.278 5.231 1.00 0.00 O ATOM 224 CB PHE A 188 5.395 1.014 4.739 1.00 0.00 C ATOM 225 CG PHE A 188 4.523 -0.157 5.157 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.976 -0.185 6.446 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.248 -1.200 4.261 1.00 0.00 C ATOM 228 CE1 PHE A 188 3.160 -1.257 6.841 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.435 -2.270 4.656 1.00 0.00 C ATOM 230 CZ PHE A 188 2.887 -2.299 5.941 1.00 0.00 C ATOM 0 H PHE A 188 4.297 1.060 2.472 1.00 0.00 H new ATOM 0 HA PHE A 188 3.646 2.248 4.955 1.00 0.00 H new ATOM 0 HB2 PHE A 188 6.062 0.714 3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 188 6.024 1.329 5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 188 4.182 0.619 7.137 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.664 -1.178 3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.743 -1.280 7.837 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.231 -3.075 3.965 1.00 0.00 H new ATOM 0 HZ PHE A 188 2.255 -3.121 6.241 1.00 0.00 H new ATOM 240 N SER A 189 6.102 3.731 3.349 1.00 0.00 N ATOM 241 CA SER A 189 6.865 5.001 3.350 1.00 0.00 C ATOM 242 C SER A 189 5.865 6.153 3.321 1.00 0.00 C ATOM 243 O SER A 189 5.962 7.122 4.059 1.00 0.00 O ATOM 244 CB SER A 189 7.739 5.063 2.093 1.00 0.00 C ATOM 245 OG SER A 189 6.914 5.180 0.940 1.00 0.00 O ATOM 0 H SER A 189 6.276 3.113 2.556 1.00 0.00 H new ATOM 0 HA SER A 189 7.497 5.066 4.235 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.419 5.913 2.153 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.355 4.166 2.022 1.00 0.00 H new ATOM 0 HG SER A 189 6.342 4.388 0.865 1.00 0.00 H new ATOM 251 N ALA A 190 4.889 6.032 2.471 1.00 0.00 N ATOM 252 CA ALA A 190 3.854 7.092 2.363 1.00 0.00 C ATOM 253 C ALA A 190 3.085 7.160 3.672 1.00 0.00 C ATOM 254 O ALA A 190 2.923 8.208 4.255 1.00 0.00 O ATOM 255 CB ALA A 190 2.894 6.766 1.221 1.00 0.00 C ATOM 0 H ALA A 190 4.763 5.239 1.842 1.00 0.00 H new ATOM 0 HA ALA A 190 4.330 8.051 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.138 7.547 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.449 6.709 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.409 5.809 1.415 1.00 0.00 H new ATOM 261 N PHE A 191 2.618 6.040 4.142 1.00 0.00 N ATOM 262 CA PHE A 191 1.858 6.040 5.422 1.00 0.00 C ATOM 263 C PHE A 191 2.790 6.369 6.588 1.00 0.00 C ATOM 264 O PHE A 191 2.344 6.735 7.656 1.00 0.00 O ATOM 265 CB PHE A 191 1.176 4.675 5.635 1.00 0.00 C ATOM 266 CG PHE A 191 -0.084 4.619 4.800 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.231 5.299 5.226 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.099 3.899 3.604 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.399 5.254 4.449 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.260 3.848 2.823 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.415 4.523 3.247 1.00 0.00 C ATOM 0 H PHE A 191 2.728 5.128 3.699 1.00 0.00 H new ATOM 0 HA PHE A 191 1.084 6.806 5.375 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.852 3.868 5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.936 4.534 6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.217 5.857 6.151 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.790 3.378 3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.285 5.780 4.774 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.267 3.291 1.898 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.315 4.481 2.651 1.00 0.00 H new ATOM 281 N GLU A 192 4.075 6.270 6.397 1.00 0.00 N ATOM 282 CA GLU A 192 5.007 6.609 7.514 1.00 0.00 C ATOM 283 C GLU A 192 4.909 8.107 7.790 1.00 0.00 C ATOM 284 O GLU A 192 5.104 8.562 8.898 1.00 0.00 O ATOM 285 CB GLU A 192 6.453 6.271 7.142 1.00 0.00 C ATOM 286 CG GLU A 192 7.348 6.553 8.351 1.00 0.00 C ATOM 287 CD GLU A 192 8.751 5.988 8.110 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.901 5.198 7.190 1.00 0.00 O ATOM 289 OE2 GLU A 192 9.651 6.350 8.853 1.00 0.00 O ATOM 0 H GLU A 192 4.519 5.973 5.528 1.00 0.00 H new ATOM 0 HA GLU A 192 4.728 6.029 8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.533 5.224 6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.773 6.867 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 192 7.405 7.627 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 192 6.916 6.105 9.246 1.00 0.00 H new ATOM 296 N LYS A 193 4.606 8.881 6.783 1.00 0.00 N ATOM 297 CA LYS A 193 4.499 10.360 6.990 1.00 0.00 C ATOM 298 C LYS A 193 3.121 10.700 7.583 1.00 0.00 C ATOM 299 O LYS A 193 3.017 11.381 8.589 1.00 0.00 O ATOM 300 CB LYS A 193 4.669 11.066 5.645 1.00 0.00 C ATOM 301 CG LYS A 193 6.079 10.806 5.110 1.00 0.00 C ATOM 302 CD LYS A 193 6.304 11.603 3.824 1.00 0.00 C ATOM 303 CE LYS A 193 7.724 11.342 3.307 1.00 0.00 C ATOM 304 NZ LYS A 193 7.872 9.915 2.899 1.00 0.00 N ATOM 0 H LYS A 193 4.428 8.559 5.831 1.00 0.00 H new ATOM 0 HA LYS A 193 5.276 10.692 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 193 3.926 10.703 4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 193 4.504 12.137 5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 193 6.819 11.090 5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.213 9.742 4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 193 5.572 11.314 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 193 6.163 12.667 4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 193 7.935 11.994 2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.451 11.583 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 8.713 9.812 2.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 7.978 9.321 3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 7.028 9.616 2.370 1.00 0.00 H new ATOM 318 N HIS A 194 2.061 10.211 6.985 1.00 0.00 N ATOM 319 CA HIS A 194 0.691 10.486 7.524 1.00 0.00 C ATOM 320 C HIS A 194 -0.153 9.229 7.433 1.00 0.00 C ATOM 321 O HIS A 194 -0.030 8.451 6.521 1.00 0.00 O ATOM 322 CB HIS A 194 -0.001 11.568 6.702 1.00 0.00 C ATOM 323 CG HIS A 194 0.620 12.897 6.981 1.00 0.00 C ATOM 324 ND1 HIS A 194 1.384 13.144 8.107 1.00 0.00 N ATOM 325 CD2 HIS A 194 0.574 14.068 6.288 1.00 0.00 C ATOM 326 CE1 HIS A 194 1.766 14.437 8.057 1.00 0.00 C ATOM 327 NE2 HIS A 194 1.298 15.047 6.963 1.00 0.00 N ATOM 0 H HIS A 194 2.085 9.632 6.145 1.00 0.00 H new ATOM 0 HA HIS A 194 0.794 10.813 8.559 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.079 11.336 5.640 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -1.064 11.596 6.943 1.00 0.00 H new ATOM 0 HD1 HIS A 194 1.616 12.473 8.839 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.053 14.216 5.353 1.00 0.00 H new ATOM 0 HE1 HIS A 194 2.374 14.920 8.808 1.00 0.00 H new ATOM 335 N GLN A 195 -1.008 9.027 8.381 1.00 0.00 N ATOM 336 CA GLN A 195 -1.863 7.814 8.364 1.00 0.00 C ATOM 337 C GLN A 195 -2.876 7.920 7.199 1.00 0.00 C ATOM 338 O GLN A 195 -3.555 6.970 6.873 1.00 0.00 O ATOM 339 CB GLN A 195 -2.600 7.724 9.715 1.00 0.00 C ATOM 340 CG GLN A 195 -3.028 6.272 10.023 1.00 0.00 C ATOM 341 CD GLN A 195 -4.046 5.773 9.009 1.00 0.00 C ATOM 342 OE1 GLN A 195 -5.145 6.287 8.927 1.00 0.00 O ATOM 343 NE2 GLN A 195 -3.718 4.787 8.219 1.00 0.00 N ATOM 0 H GLN A 195 -1.156 9.651 9.174 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.260 6.918 8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -1.952 8.091 10.511 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.479 8.369 9.696 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -2.153 5.622 10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -3.453 6.220 11.025 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.795 4.360 8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -4.385 4.444 7.528 1.00 0.00 H new ATOM 352 N TYR A 196 -3.008 9.081 6.580 1.00 0.00 N ATOM 353 CA TYR A 196 -4.026 9.239 5.471 1.00 0.00 C ATOM 354 C TYR A 196 -3.402 9.571 4.110 1.00 0.00 C ATOM 355 O TYR A 196 -2.563 10.441 3.982 1.00 0.00 O ATOM 356 CB TYR A 196 -4.960 10.377 5.842 1.00 0.00 C ATOM 357 CG TYR A 196 -5.710 9.995 7.087 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.821 9.151 6.997 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.286 10.469 8.339 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.514 8.789 8.148 1.00 0.00 C ATOM 361 CE2 TYR A 196 -5.984 10.099 9.492 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.097 9.260 9.395 1.00 0.00 C ATOM 363 OH TYR A 196 -7.781 8.895 10.530 1.00 0.00 O ATOM 0 H TYR A 196 -2.463 9.917 6.790 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.541 8.283 5.372 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.393 11.293 6.008 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.656 10.576 5.027 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.141 8.780 6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.425 11.116 8.411 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.376 8.142 8.077 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -5.663 10.461 10.457 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.360 9.308 11.313 1.00 0.00 H new ATOM 373 N TYR A 197 -3.871 8.901 3.083 1.00 0.00 N ATOM 374 CA TYR A 197 -3.382 9.163 1.686 1.00 0.00 C ATOM 375 C TYR A 197 -4.497 8.864 0.670 1.00 0.00 C ATOM 376 O TYR A 197 -5.123 7.820 0.704 1.00 0.00 O ATOM 377 CB TYR A 197 -2.140 8.294 1.387 1.00 0.00 C ATOM 378 CG TYR A 197 -0.894 8.989 1.878 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.471 8.854 3.203 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.169 9.788 0.989 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.682 9.527 3.640 1.00 0.00 C ATOM 382 CE2 TYR A 197 0.980 10.453 1.420 1.00 0.00 C ATOM 383 CZ TYR A 197 1.403 10.325 2.747 1.00 0.00 C ATOM 384 OH TYR A 197 2.523 10.996 3.179 1.00 0.00 O ATOM 0 H TYR A 197 -4.582 8.173 3.153 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.104 10.214 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.240 7.323 1.872 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.065 8.109 0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.029 8.234 3.889 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.499 9.891 -0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 197 1.011 9.428 4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.541 11.065 0.730 1.00 0.00 H new ATOM 0 HH TYR A 197 2.907 11.504 2.434 1.00 0.00 H new ATOM 394 N ASN A 198 -4.736 9.778 -0.240 1.00 0.00 N ATOM 395 CA ASN A 198 -5.798 9.567 -1.275 1.00 0.00 C ATOM 396 C ASN A 198 -5.169 8.855 -2.482 1.00 0.00 C ATOM 397 O ASN A 198 -3.965 8.811 -2.612 1.00 0.00 O ATOM 398 CB ASN A 198 -6.381 10.925 -1.696 1.00 0.00 C ATOM 399 CG ASN A 198 -5.381 11.704 -2.534 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.226 11.342 -2.625 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.796 12.760 -3.174 1.00 0.00 N ATOM 0 H ASN A 198 -4.239 10.666 -0.311 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.605 8.955 -0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.298 10.772 -2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.648 11.502 -0.810 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.149 13.290 -3.757 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.768 13.057 -3.092 1.00 0.00 H new ATOM 408 N LEU A 199 -5.958 8.295 -3.363 1.00 0.00 N ATOM 409 CA LEU A 199 -5.374 7.589 -4.555 1.00 0.00 C ATOM 410 C LEU A 199 -4.521 8.566 -5.400 1.00 0.00 C ATOM 411 O LEU A 199 -3.490 8.206 -5.936 1.00 0.00 O ATOM 412 CB LEU A 199 -6.511 7.026 -5.428 1.00 0.00 C ATOM 413 CG LEU A 199 -7.296 5.941 -4.675 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.444 5.446 -5.576 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.369 4.757 -4.314 1.00 0.00 C ATOM 0 H LEU A 199 -6.977 8.293 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 199 -4.738 6.777 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.185 7.832 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.097 6.610 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.697 6.359 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.010 4.675 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.103 6.280 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.032 5.033 -6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -6.940 3.997 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -5.956 4.327 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.556 5.111 -3.680 1.00 0.00 H new ATOM 427 N LYS A 200 -4.960 9.789 -5.545 1.00 0.00 N ATOM 428 CA LYS A 200 -4.205 10.785 -6.377 1.00 0.00 C ATOM 429 C LYS A 200 -2.790 10.970 -5.829 1.00 0.00 C ATOM 430 O LYS A 200 -1.828 11.062 -6.571 1.00 0.00 O ATOM 431 CB LYS A 200 -4.936 12.142 -6.351 1.00 0.00 C ATOM 432 CG LYS A 200 -4.333 13.092 -7.415 1.00 0.00 C ATOM 433 CD LYS A 200 -4.987 12.854 -8.778 1.00 0.00 C ATOM 434 CE LYS A 200 -4.407 13.837 -9.797 1.00 0.00 C ATOM 435 NZ LYS A 200 -5.053 13.636 -11.130 1.00 0.00 N ATOM 0 H LYS A 200 -5.816 10.147 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 200 -4.148 10.413 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.999 11.995 -6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.851 12.591 -5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -4.480 14.128 -7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -3.258 12.930 -7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -4.811 11.829 -9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -6.067 12.984 -8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -4.566 14.861 -9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -3.330 13.693 -9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -4.652 14.308 -11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -4.880 12.664 -11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -6.077 13.796 -11.047 1.00 0.00 H new ATOM 449 N ASP A 201 -2.655 11.050 -4.540 1.00 0.00 N ATOM 450 CA ASP A 201 -1.299 11.247 -3.951 1.00 0.00 C ATOM 451 C ASP A 201 -0.463 9.995 -4.160 1.00 0.00 C ATOM 452 O ASP A 201 0.712 10.061 -4.459 1.00 0.00 O ATOM 453 CB ASP A 201 -1.426 11.519 -2.449 1.00 0.00 C ATOM 454 CG ASP A 201 -2.047 12.896 -2.238 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.866 13.739 -3.097 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.685 13.087 -1.221 1.00 0.00 O ATOM 0 H ASP A 201 -3.419 10.988 -3.867 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.818 12.094 -4.439 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.043 10.753 -1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.446 11.473 -1.975 1.00 0.00 H new ATOM 461 N LEU A 202 -1.069 8.857 -3.990 1.00 0.00 N ATOM 462 CA LEU A 202 -0.332 7.572 -4.145 1.00 0.00 C ATOM 463 C LEU A 202 0.238 7.428 -5.563 1.00 0.00 C ATOM 464 O LEU A 202 1.337 6.944 -5.742 1.00 0.00 O ATOM 465 CB LEU A 202 -1.285 6.404 -3.879 1.00 0.00 C ATOM 466 CG LEU A 202 -1.688 6.340 -2.391 1.00 0.00 C ATOM 467 CD1 LEU A 202 -2.702 5.205 -2.194 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.444 6.077 -1.510 1.00 0.00 C ATOM 0 H LEU A 202 -2.055 8.759 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 202 0.492 7.565 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.177 6.512 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -0.808 5.468 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.132 7.292 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -2.991 5.154 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.584 5.395 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.251 4.259 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -0.742 6.034 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.011 5.129 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.277 6.882 -1.649 1.00 0.00 H new ATOM 480 N VAL A 203 -0.479 7.827 -6.578 1.00 0.00 N ATOM 481 CA VAL A 203 0.080 7.679 -7.956 1.00 0.00 C ATOM 482 C VAL A 203 1.298 8.583 -8.127 1.00 0.00 C ATOM 483 O VAL A 203 2.245 8.240 -8.807 1.00 0.00 O ATOM 484 CB VAL A 203 -0.976 8.009 -9.013 1.00 0.00 C ATOM 485 CG1 VAL A 203 -1.988 6.861 -9.127 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.700 9.291 -8.624 1.00 0.00 C ATOM 0 H VAL A 203 -1.409 8.241 -6.519 1.00 0.00 H new ATOM 0 HA VAL A 203 0.385 6.641 -8.092 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.485 8.144 -9.977 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.734 7.108 -9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.470 5.946 -9.414 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.480 6.713 -8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.452 9.527 -9.377 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.184 9.156 -7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.982 10.109 -8.560 1.00 0.00 H new ATOM 496 N ASP A 204 1.295 9.729 -7.512 1.00 0.00 N ATOM 497 CA ASP A 204 2.468 10.629 -7.647 1.00 0.00 C ATOM 498 C ASP A 204 3.686 9.892 -7.117 1.00 0.00 C ATOM 499 O ASP A 204 4.765 9.955 -7.675 1.00 0.00 O ATOM 500 CB ASP A 204 2.235 11.890 -6.813 1.00 0.00 C ATOM 501 CG ASP A 204 3.329 12.922 -7.099 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.168 12.653 -7.942 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.312 13.962 -6.465 1.00 0.00 O ATOM 0 H ASP A 204 0.537 10.079 -6.926 1.00 0.00 H new ATOM 0 HA ASP A 204 2.617 10.912 -8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.257 12.312 -7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.231 11.638 -5.753 1.00 0.00 H new ATOM 508 N ILE A 205 3.511 9.188 -6.037 1.00 0.00 N ATOM 509 CA ILE A 205 4.640 8.433 -5.452 1.00 0.00 C ATOM 510 C ILE A 205 4.999 7.289 -6.400 1.00 0.00 C ATOM 511 O ILE A 205 6.134 6.863 -6.488 1.00 0.00 O ATOM 512 CB ILE A 205 4.221 7.858 -4.095 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.679 8.983 -3.209 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.436 7.230 -3.404 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.224 8.398 -1.874 1.00 0.00 C ATOM 0 H ILE A 205 2.627 9.105 -5.534 1.00 0.00 H new ATOM 0 HA ILE A 205 5.499 9.090 -5.313 1.00 0.00 H new ATOM 0 HB ILE A 205 3.452 7.102 -4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.450 9.736 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.846 9.482 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 205 5.135 6.822 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.836 6.430 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.202 7.990 -3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 205 2.837 9.196 -1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.440 7.661 -2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.069 7.919 -1.380 1.00 0.00 H new ATOM 527 N THR A 206 4.019 6.780 -7.101 1.00 0.00 N ATOM 528 CA THR A 206 4.264 5.644 -8.037 1.00 0.00 C ATOM 529 C THR A 206 3.338 5.755 -9.242 1.00 0.00 C ATOM 530 O THR A 206 2.142 5.763 -9.113 1.00 0.00 O ATOM 531 CB THR A 206 3.965 4.334 -7.315 1.00 0.00 C ATOM 532 OG1 THR A 206 2.687 4.421 -6.695 1.00 0.00 O ATOM 533 CG2 THR A 206 5.034 4.069 -6.250 1.00 0.00 C ATOM 0 H THR A 206 3.053 7.105 -7.064 1.00 0.00 H new ATOM 0 HA THR A 206 5.302 5.670 -8.369 1.00 0.00 H new ATOM 0 HB THR A 206 3.970 3.516 -8.035 1.00 0.00 H new ATOM 0 HG1 THR A 206 2.064 4.884 -7.293 1.00 0.00 H new ATOM 0 HG21 THR A 206 4.814 3.132 -5.739 1.00 0.00 H new ATOM 0 HG22 THR A 206 6.012 4.002 -6.726 1.00 0.00 H new ATOM 0 HG23 THR A 206 5.037 4.885 -5.527 1.00 0.00 H new ATOM 541 N LYS A 207 3.887 5.828 -10.415 1.00 0.00 N ATOM 542 CA LYS A 207 3.040 5.937 -11.638 1.00 0.00 C ATOM 543 C LYS A 207 2.503 4.560 -12.054 1.00 0.00 C ATOM 544 O LYS A 207 2.255 4.310 -13.216 1.00 0.00 O ATOM 545 CB LYS A 207 3.878 6.534 -12.776 1.00 0.00 C ATOM 546 CG LYS A 207 4.252 7.977 -12.432 1.00 0.00 C ATOM 547 CD LYS A 207 5.023 8.594 -13.607 1.00 0.00 C ATOM 548 CE LYS A 207 5.395 10.043 -13.273 1.00 0.00 C ATOM 549 NZ LYS A 207 4.157 10.865 -13.192 1.00 0.00 N ATOM 0 H LYS A 207 4.893 5.817 -10.586 1.00 0.00 H new ATOM 0 HA LYS A 207 2.189 6.584 -11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.779 5.940 -12.928 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.316 6.506 -13.709 1.00 0.00 H new ATOM 0 HG2 LYS A 207 3.353 8.559 -12.226 1.00 0.00 H new ATOM 0 HG3 LYS A 207 4.862 8.002 -11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 207 5.923 8.014 -13.809 1.00 0.00 H new ATOM 0 HD3 LYS A 207 4.415 8.563 -14.511 1.00 0.00 H new ATOM 0 HE2 LYS A 207 5.934 10.083 -12.326 1.00 0.00 H new ATOM 0 HE3 LYS A 207 6.062 10.444 -14.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 4.402 11.871 -13.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 3.508 10.592 -13.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 3.695 10.707 -12.274 1.00 0.00 H new ATOM 563 N GLN A 208 2.315 3.664 -11.124 1.00 0.00 N ATOM 564 CA GLN A 208 1.791 2.313 -11.493 1.00 0.00 C ATOM 565 C GLN A 208 0.259 2.394 -11.663 1.00 0.00 C ATOM 566 O GLN A 208 -0.376 3.241 -11.067 1.00 0.00 O ATOM 567 CB GLN A 208 2.123 1.338 -10.364 1.00 0.00 C ATOM 568 CG GLN A 208 3.639 1.075 -10.320 1.00 0.00 C ATOM 569 CD GLN A 208 4.023 0.513 -8.951 1.00 0.00 C ATOM 570 OE1 GLN A 208 4.668 -0.512 -8.858 1.00 0.00 O ATOM 571 NE2 GLN A 208 3.650 1.146 -7.877 1.00 0.00 N ATOM 0 H GLN A 208 2.499 3.805 -10.131 1.00 0.00 H new ATOM 0 HA GLN A 208 2.243 1.974 -12.425 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.789 1.747 -9.410 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.588 0.400 -10.514 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.919 0.372 -11.104 1.00 0.00 H new ATOM 0 HG3 GLN A 208 4.184 1.999 -10.511 1.00 0.00 H new ATOM 0 HE21 GLN A 208 3.108 2.007 -7.955 1.00 0.00 H new ATOM 0 HE22 GLN A 208 3.899 0.781 -6.958 1.00 0.00 H new ATOM 580 N PRO A 209 -0.344 1.529 -12.463 1.00 0.00 N ATOM 581 CA PRO A 209 -1.829 1.546 -12.679 1.00 0.00 C ATOM 582 C PRO A 209 -2.629 1.644 -11.370 1.00 0.00 C ATOM 583 O PRO A 209 -2.432 0.880 -10.443 1.00 0.00 O ATOM 584 CB PRO A 209 -2.101 0.202 -13.375 1.00 0.00 C ATOM 585 CG PRO A 209 -0.835 -0.136 -14.090 1.00 0.00 C ATOM 586 CD PRO A 209 0.306 0.454 -13.248 1.00 0.00 C ATOM 0 HA PRO A 209 -2.139 2.418 -13.255 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.362 -0.570 -12.651 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -2.936 0.282 -14.071 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -0.723 -1.215 -14.194 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -0.833 0.283 -15.096 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.753 -0.299 -12.599 1.00 0.00 H new ATOM 0 HD3 PRO A 209 1.104 0.847 -13.878 1.00 0.00 H new ATOM 594 N VAL A 210 -3.545 2.572 -11.296 1.00 0.00 N ATOM 595 CA VAL A 210 -4.367 2.706 -10.061 1.00 0.00 C ATOM 596 C VAL A 210 -5.072 1.382 -9.777 1.00 0.00 C ATOM 597 O VAL A 210 -5.103 0.897 -8.661 1.00 0.00 O ATOM 598 CB VAL A 210 -5.399 3.819 -10.255 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.670 5.146 -10.409 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.242 3.553 -11.507 1.00 0.00 C ATOM 0 H VAL A 210 -3.759 3.241 -12.036 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.726 2.958 -9.216 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.060 3.851 -9.389 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.397 5.946 -10.548 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.080 5.343 -9.514 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.010 5.100 -11.276 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -6.971 4.353 -11.631 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.593 3.515 -12.382 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -6.762 2.601 -11.400 1.00 0.00 H new ATOM 610 N VAL A 211 -5.633 0.789 -10.783 1.00 0.00 N ATOM 611 CA VAL A 211 -6.330 -0.503 -10.588 1.00 0.00 C ATOM 612 C VAL A 211 -5.415 -1.461 -9.845 1.00 0.00 C ATOM 613 O VAL A 211 -5.856 -2.264 -9.056 1.00 0.00 O ATOM 614 CB VAL A 211 -6.655 -1.088 -11.954 1.00 0.00 C ATOM 615 CG1 VAL A 211 -7.569 -0.125 -12.704 1.00 0.00 C ATOM 616 CG2 VAL A 211 -5.355 -1.296 -12.745 1.00 0.00 C ATOM 0 H VAL A 211 -5.639 1.145 -11.739 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.244 -0.351 -10.013 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.157 -2.048 -11.835 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -7.806 -0.538 -13.685 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -8.489 0.018 -12.138 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -7.065 0.834 -12.826 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -5.588 -1.715 -13.724 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -4.849 -0.339 -12.871 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -4.704 -1.982 -12.202 1.00 0.00 H new ATOM 626 N TYR A 212 -4.139 -1.388 -10.079 1.00 0.00 N ATOM 627 CA TYR A 212 -3.229 -2.312 -9.362 1.00 0.00 C ATOM 628 C TYR A 212 -3.129 -1.843 -7.911 1.00 0.00 C ATOM 629 O TYR A 212 -3.228 -2.627 -6.988 1.00 0.00 O ATOM 630 CB TYR A 212 -1.847 -2.316 -10.036 1.00 0.00 C ATOM 631 CG TYR A 212 -0.962 -3.396 -9.437 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.033 -4.709 -9.924 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.064 -3.084 -8.407 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.208 -5.705 -9.384 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.762 -4.086 -7.869 1.00 0.00 C ATOM 636 CZ TYR A 212 0.683 -5.393 -8.360 1.00 0.00 C ATOM 637 OH TYR A 212 1.488 -6.379 -7.833 1.00 0.00 O ATOM 0 H TYR A 212 -3.692 -0.738 -10.726 1.00 0.00 H new ATOM 0 HA TYR A 212 -3.614 -3.331 -9.392 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -1.960 -2.483 -11.107 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.374 -1.342 -9.914 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -1.725 -4.953 -10.717 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.007 -2.075 -8.027 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.263 -6.715 -9.762 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.457 -3.847 -7.077 1.00 0.00 H new ATOM 0 HH TYR A 212 1.937 -6.858 -8.560 1.00 0.00 H new ATOM 647 N LEU A 213 -2.965 -0.559 -7.702 1.00 0.00 N ATOM 648 CA LEU A 213 -2.900 -0.031 -6.305 1.00 0.00 C ATOM 649 C LEU A 213 -4.268 -0.168 -5.637 1.00 0.00 C ATOM 650 O LEU A 213 -4.369 -0.536 -4.488 1.00 0.00 O ATOM 651 CB LEU A 213 -2.501 1.449 -6.321 1.00 0.00 C ATOM 652 CG LEU A 213 -1.030 1.607 -6.748 1.00 0.00 C ATOM 653 CD1 LEU A 213 -0.808 3.018 -7.310 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.096 1.397 -5.548 1.00 0.00 C ATOM 0 H LEU A 213 -2.874 0.143 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.157 -0.603 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.146 1.998 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.647 1.882 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 213 -0.808 0.860 -7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.233 3.130 -7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.455 3.172 -8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -1.045 3.756 -6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.939 1.512 -5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.322 2.134 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.241 0.395 -5.145 1.00 0.00 H new ATOM 666 N LYS A 214 -5.323 0.141 -6.345 1.00 0.00 N ATOM 667 CA LYS A 214 -6.688 0.041 -5.737 1.00 0.00 C ATOM 668 C LYS A 214 -6.949 -1.390 -5.277 1.00 0.00 C ATOM 669 O LYS A 214 -7.448 -1.619 -4.193 1.00 0.00 O ATOM 670 CB LYS A 214 -7.751 0.445 -6.768 1.00 0.00 C ATOM 671 CG LYS A 214 -7.680 1.961 -7.025 1.00 0.00 C ATOM 672 CD LYS A 214 -8.982 2.431 -7.678 1.00 0.00 C ATOM 673 CE LYS A 214 -9.168 1.748 -9.036 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.239 2.453 -9.805 1.00 0.00 N ATOM 0 H LYS A 214 -5.301 0.457 -7.314 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.741 0.712 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.592 -0.099 -7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.743 0.174 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.519 2.492 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -6.833 2.192 -7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -9.827 2.202 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -8.963 3.513 -7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -8.232 1.765 -9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -9.436 0.701 -8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.366 1.990 -10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -11.131 2.414 -9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -9.965 3.446 -9.951 1.00 0.00 H new ATOM 688 N GLU A 215 -6.608 -2.355 -6.082 1.00 0.00 N ATOM 689 CA GLU A 215 -6.836 -3.776 -5.683 1.00 0.00 C ATOM 690 C GLU A 215 -6.058 -4.063 -4.401 1.00 0.00 C ATOM 691 O GLU A 215 -6.527 -4.752 -3.518 1.00 0.00 O ATOM 692 CB GLU A 215 -6.347 -4.697 -6.796 1.00 0.00 C ATOM 693 CG GLU A 215 -7.294 -4.610 -7.990 1.00 0.00 C ATOM 694 CD GLU A 215 -8.583 -5.388 -7.701 1.00 0.00 C ATOM 695 OE1 GLU A 215 -8.691 -5.949 -6.623 1.00 0.00 O ATOM 696 OE2 GLU A 215 -9.445 -5.405 -8.565 1.00 0.00 O ATOM 0 H GLU A 215 -6.181 -2.225 -6.999 1.00 0.00 H new ATOM 0 HA GLU A 215 -7.899 -3.949 -5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.339 -4.414 -7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.295 -5.724 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -7.530 -3.567 -8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -6.809 -5.013 -8.879 1.00 0.00 H new ATOM 703 N ILE A 216 -4.875 -3.536 -4.289 1.00 0.00 N ATOM 704 CA ILE A 216 -4.079 -3.767 -3.057 1.00 0.00 C ATOM 705 C ILE A 216 -4.744 -3.043 -1.885 1.00 0.00 C ATOM 706 O ILE A 216 -4.869 -3.583 -0.807 1.00 0.00 O ATOM 707 CB ILE A 216 -2.664 -3.234 -3.284 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.008 -4.053 -4.394 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.844 -3.358 -1.998 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.685 -3.404 -4.803 1.00 0.00 C ATOM 0 H ILE A 216 -4.425 -2.956 -4.997 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.030 -4.831 -2.826 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.707 -2.183 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.833 -5.073 -4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.674 -4.116 -5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.838 -2.976 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.321 -2.781 -1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.789 -4.405 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.221 -3.992 -5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.872 -2.393 -5.164 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.018 -3.364 -3.942 1.00 0.00 H new ATOM 722 N LEU A 217 -5.192 -1.835 -2.089 1.00 0.00 N ATOM 723 CA LEU A 217 -5.868 -1.097 -0.984 1.00 0.00 C ATOM 724 C LEU A 217 -7.235 -1.733 -0.713 1.00 0.00 C ATOM 725 O LEU A 217 -7.725 -1.750 0.391 1.00 0.00 O ATOM 726 CB LEU A 217 -6.048 0.360 -1.393 1.00 0.00 C ATOM 727 CG LEU A 217 -4.662 1.008 -1.564 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.814 2.378 -2.238 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.970 1.167 -0.193 1.00 0.00 C ATOM 0 H LEU A 217 -5.120 -1.328 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.263 -1.147 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.610 0.423 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.623 0.895 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 217 -4.045 0.364 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.832 2.835 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.278 2.253 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.440 3.021 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.991 1.626 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.580 1.800 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.849 0.187 0.269 1.00 0.00 H new ATOM 741 N LYS A 218 -7.856 -2.269 -1.712 1.00 0.00 N ATOM 742 CA LYS A 218 -9.181 -2.911 -1.489 1.00 0.00 C ATOM 743 C LYS A 218 -9.030 -4.061 -0.484 1.00 0.00 C ATOM 744 O LYS A 218 -9.916 -4.330 0.304 1.00 0.00 O ATOM 745 CB LYS A 218 -9.718 -3.449 -2.817 1.00 0.00 C ATOM 746 CG LYS A 218 -10.283 -2.294 -3.670 1.00 0.00 C ATOM 747 CD LYS A 218 -11.745 -2.007 -3.296 1.00 0.00 C ATOM 748 CE LYS A 218 -12.320 -0.970 -4.273 1.00 0.00 C ATOM 749 NZ LYS A 218 -12.458 -1.591 -5.625 1.00 0.00 N ATOM 0 H LYS A 218 -7.512 -2.294 -2.672 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.880 -2.176 -1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -8.921 -3.957 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -10.497 -4.188 -2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.682 -1.397 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -10.217 -2.550 -4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -12.330 -2.926 -3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.805 -1.634 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -13.290 -0.619 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -11.666 -0.100 -4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -13.149 -1.052 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -11.537 -1.580 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -12.784 -2.573 -5.524 1.00 0.00 H new ATOM 763 N GLU A 219 -7.930 -4.763 -0.520 1.00 0.00 N ATOM 764 CA GLU A 219 -7.755 -5.906 0.420 1.00 0.00 C ATOM 765 C GLU A 219 -7.382 -5.416 1.833 1.00 0.00 C ATOM 766 O GLU A 219 -8.003 -5.796 2.804 1.00 0.00 O ATOM 767 CB GLU A 219 -6.633 -6.820 -0.090 1.00 0.00 C ATOM 768 CG GLU A 219 -7.063 -7.564 -1.353 1.00 0.00 C ATOM 769 CD GLU A 219 -8.156 -8.579 -1.017 1.00 0.00 C ATOM 770 OE1 GLU A 219 -8.183 -9.032 0.115 1.00 0.00 O ATOM 771 OE2 GLU A 219 -8.943 -8.893 -1.899 1.00 0.00 O ATOM 0 H GLU A 219 -7.150 -4.596 -1.155 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.700 -6.446 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.743 -6.227 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.363 -7.538 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -7.430 -6.855 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -6.206 -8.073 -1.794 1.00 0.00 H new ATOM 778 N ILE A 220 -6.358 -4.598 1.954 1.00 0.00 N ATOM 779 CA ILE A 220 -5.912 -4.101 3.302 1.00 0.00 C ATOM 780 C ILE A 220 -6.188 -2.608 3.471 1.00 0.00 C ATOM 781 O ILE A 220 -5.909 -2.044 4.503 1.00 0.00 O ATOM 782 CB ILE A 220 -4.407 -4.346 3.443 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.641 -3.622 2.322 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.126 -5.846 3.359 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.136 -3.679 2.601 1.00 0.00 C ATOM 0 H ILE A 220 -5.807 -4.250 1.169 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.471 -4.639 4.068 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.076 -3.960 4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.860 -4.087 1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -3.969 -2.585 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.055 -6.022 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.655 -6.361 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.468 -6.227 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.599 -3.165 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.924 -3.194 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.813 -4.719 2.644 1.00 0.00 H new ATOM 797 N GLY A 221 -6.692 -1.957 2.466 1.00 0.00 N ATOM 798 CA GLY A 221 -6.949 -0.482 2.579 1.00 0.00 C ATOM 799 C GLY A 221 -8.355 -0.200 3.115 1.00 0.00 C ATOM 800 O GLY A 221 -9.137 -1.094 3.385 1.00 0.00 O ATOM 0 H GLY A 221 -6.940 -2.373 1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.209 -0.032 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.830 -0.014 1.602 1.00 0.00 H new ATOM 804 N VAL A 222 -8.673 1.061 3.246 1.00 0.00 N ATOM 805 CA VAL A 222 -10.014 1.484 3.732 1.00 0.00 C ATOM 806 C VAL A 222 -10.347 2.769 2.987 1.00 0.00 C ATOM 807 O VAL A 222 -9.533 3.259 2.249 1.00 0.00 O ATOM 808 CB VAL A 222 -9.975 1.734 5.256 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.339 2.265 5.740 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.643 0.413 5.972 1.00 0.00 C ATOM 0 H VAL A 222 -8.041 1.832 3.030 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.767 0.717 3.551 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.211 2.478 5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.301 2.438 6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.567 3.201 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -12.115 1.532 5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.613 0.580 7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.408 -0.328 5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.672 0.050 5.634 1.00 0.00 H new ATOM 820 N GLN A 223 -11.521 3.314 3.146 1.00 0.00 N ATOM 821 CA GLN A 223 -11.871 4.575 2.412 1.00 0.00 C ATOM 822 C GLN A 223 -12.690 5.500 3.323 1.00 0.00 C ATOM 823 O GLN A 223 -13.379 5.057 4.224 1.00 0.00 O ATOM 824 CB GLN A 223 -12.684 4.209 1.164 1.00 0.00 C ATOM 825 CG GLN A 223 -13.143 5.474 0.437 1.00 0.00 C ATOM 826 CD GLN A 223 -11.939 6.351 0.081 1.00 0.00 C ATOM 827 OE1 GLN A 223 -11.097 5.962 -0.708 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.831 7.534 0.629 1.00 0.00 N ATOM 0 H GLN A 223 -12.256 2.946 3.750 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.961 5.097 2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -12.079 3.597 0.495 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.550 3.611 1.449 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.685 5.204 -0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.835 6.033 1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.538 7.857 1.289 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -11.040 8.134 0.396 1.00 0.00 H new ATOM 837 N ASN A 224 -12.612 6.794 3.102 1.00 0.00 N ATOM 838 CA ASN A 224 -13.371 7.742 3.961 1.00 0.00 C ATOM 839 C ASN A 224 -13.722 8.993 3.153 1.00 0.00 C ATOM 840 O ASN A 224 -12.862 9.652 2.596 1.00 0.00 O ATOM 841 CB ASN A 224 -12.500 8.165 5.149 1.00 0.00 C ATOM 842 CG ASN A 224 -11.675 6.966 5.622 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.053 6.271 6.545 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.551 6.693 5.010 1.00 0.00 N ATOM 0 H ASN A 224 -12.055 7.226 2.365 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.279 7.254 4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.841 8.983 4.859 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.126 8.533 5.961 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.989 5.895 5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.237 7.278 4.236 1.00 0.00 H new ATOM 851 N VAL A 225 -14.977 9.327 3.115 1.00 0.00 N ATOM 852 CA VAL A 225 -15.430 10.547 2.386 1.00 0.00 C ATOM 853 C VAL A 225 -15.670 11.634 3.432 1.00 0.00 C ATOM 854 O VAL A 225 -16.186 11.365 4.499 1.00 0.00 O ATOM 855 CB VAL A 225 -16.726 10.244 1.642 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.432 9.253 0.516 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.737 9.640 2.623 1.00 0.00 C ATOM 0 H VAL A 225 -15.724 8.799 3.565 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.685 10.870 1.659 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.141 11.158 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.353 9.030 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.706 9.688 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -16.026 8.333 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.667 9.421 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.331 8.720 3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.933 10.350 3.427 1.00 0.00 H new ATOM 867 N LYS A 226 -15.258 12.843 3.163 1.00 0.00 N ATOM 868 CA LYS A 226 -15.412 13.943 4.172 1.00 0.00 C ATOM 869 C LYS A 226 -16.150 15.134 3.554 1.00 0.00 C ATOM 870 O LYS A 226 -16.796 15.010 2.533 1.00 0.00 O ATOM 871 CB LYS A 226 -14.006 14.335 4.643 1.00 0.00 C ATOM 872 CG LYS A 226 -13.310 13.048 5.122 1.00 0.00 C ATOM 873 CD LYS A 226 -11.905 13.334 5.659 1.00 0.00 C ATOM 874 CE LYS A 226 -11.968 14.173 6.946 1.00 0.00 C ATOM 875 NZ LYS A 226 -11.988 15.619 6.580 1.00 0.00 N ATOM 0 H LYS A 226 -14.819 13.122 2.286 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.007 13.611 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.444 14.797 3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.061 15.066 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -13.909 12.578 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -13.247 12.339 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.389 12.394 5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.324 13.863 4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -12.859 13.917 7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -11.108 13.956 7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -11.137 16.084 6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -12.006 15.715 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -12.835 16.068 6.984 1.00 0.00 H new ATOM 889 N GLY A 227 -16.086 16.277 4.191 1.00 0.00 N ATOM 890 CA GLY A 227 -16.802 17.487 3.674 1.00 0.00 C ATOM 891 C GLY A 227 -16.741 17.547 2.145 1.00 0.00 C ATOM 892 O GLY A 227 -17.718 17.287 1.470 1.00 0.00 O ATOM 0 H GLY A 227 -15.564 16.426 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -17.842 17.466 4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -16.354 18.387 4.095 1.00 0.00 H new ATOM 896 N ILE A 228 -15.607 17.882 1.584 1.00 0.00 N ATOM 897 CA ILE A 228 -15.515 17.949 0.099 1.00 0.00 C ATOM 898 C ILE A 228 -15.345 16.539 -0.454 1.00 0.00 C ATOM 899 O ILE A 228 -14.833 16.341 -1.538 1.00 0.00 O ATOM 900 CB ILE A 228 -14.344 18.853 -0.323 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.007 18.285 0.177 1.00 0.00 C ATOM 902 CG2 ILE A 228 -14.547 20.242 0.279 1.00 0.00 C ATOM 903 CD1 ILE A 228 -11.854 19.146 -0.346 1.00 0.00 C ATOM 0 H ILE A 228 -14.749 18.110 2.087 1.00 0.00 H new ATOM 0 HA ILE A 228 -16.430 18.381 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 228 -14.318 18.906 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -12.994 18.265 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -12.888 17.256 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -13.721 20.890 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -15.485 20.662 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -14.580 20.166 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -10.907 18.741 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -11.863 19.143 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -11.970 20.168 0.015 1.00 0.00 H new ATOM 915 N HIS A 229 -15.767 15.560 0.309 1.00 0.00 N ATOM 916 CA HIS A 229 -15.637 14.138 -0.122 1.00 0.00 C ATOM 917 C HIS A 229 -14.157 13.828 -0.336 1.00 0.00 C ATOM 918 O HIS A 229 -13.747 13.402 -1.401 1.00 0.00 O ATOM 919 CB HIS A 229 -16.406 13.890 -1.426 1.00 0.00 C ATOM 920 CG HIS A 229 -17.819 14.348 -1.275 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.701 13.746 -0.395 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.520 15.344 -1.897 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.878 14.379 -0.510 1.00 0.00 C ATOM 924 NE2 HIS A 229 -19.825 15.364 -1.414 1.00 0.00 N ATOM 0 H HIS A 229 -16.201 15.690 1.223 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.055 13.491 0.649 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -15.927 14.422 -2.248 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.383 12.829 -1.677 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.122 16.012 -2.647 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.761 14.125 0.058 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.579 15.994 -1.690 1.00 0.00 H new ATOM 932 N LYS A 230 -13.343 14.051 0.665 1.00 0.00 N ATOM 933 CA LYS A 230 -11.894 13.778 0.503 1.00 0.00 C ATOM 934 C LYS A 230 -11.676 12.271 0.445 1.00 0.00 C ATOM 935 O LYS A 230 -11.998 11.543 1.366 1.00 0.00 O ATOM 936 CB LYS A 230 -11.115 14.353 1.690 1.00 0.00 C ATOM 937 CG LYS A 230 -11.274 15.880 1.716 1.00 0.00 C ATOM 938 CD LYS A 230 -10.585 16.469 2.956 1.00 0.00 C ATOM 939 CE LYS A 230 -11.081 17.901 3.201 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.410 18.461 4.412 1.00 0.00 N ATOM 0 H LYS A 230 -13.622 14.408 1.579 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.541 14.245 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.482 13.923 2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.061 14.088 1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -10.843 16.312 0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.332 16.142 1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -10.794 15.849 3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -9.504 16.469 2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -10.867 18.525 2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -12.162 17.904 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -10.746 19.431 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -10.635 17.871 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -9.381 18.472 4.265 1.00 0.00 H new ATOM 954 N ASN A 231 -11.122 11.798 -0.626 1.00 0.00 N ATOM 955 CA ASN A 231 -10.869 10.339 -0.736 1.00 0.00 C ATOM 956 C ASN A 231 -9.608 10.009 0.056 1.00 0.00 C ATOM 957 O ASN A 231 -8.531 10.387 -0.330 1.00 0.00 O ATOM 958 CB ASN A 231 -10.639 9.941 -2.203 1.00 0.00 C ATOM 959 CG ASN A 231 -11.641 10.645 -3.111 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.799 10.289 -3.161 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.232 11.632 -3.847 1.00 0.00 N ATOM 0 H ASN A 231 -10.833 12.354 -1.430 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.732 9.796 -0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.624 10.201 -2.502 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.737 8.861 -2.312 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -11.885 12.109 -4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.258 11.931 -3.804 1.00 0.00 H new ATOM 968 N THR A 232 -9.723 9.307 1.150 1.00 0.00 N ATOM 969 CA THR A 232 -8.503 8.951 1.951 1.00 0.00 C ATOM 970 C THR A 232 -8.473 7.447 2.221 1.00 0.00 C ATOM 971 O THR A 232 -9.469 6.847 2.588 1.00 0.00 O ATOM 972 CB THR A 232 -8.530 9.702 3.274 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.735 9.418 3.960 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.411 11.200 3.016 1.00 0.00 C ATOM 0 H THR A 232 -10.605 8.962 1.529 1.00 0.00 H new ATOM 0 HA THR A 232 -7.613 9.230 1.387 1.00 0.00 H new ATOM 0 HB THR A 232 -7.690 9.381 3.890 1.00 0.00 H new ATOM 0 HG1 THR A 232 -10.483 9.853 3.501 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.431 11.735 3.965 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.472 11.407 2.502 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.245 11.530 2.396 1.00 0.00 H new ATOM 982 N TRP A 233 -7.323 6.835 2.025 1.00 0.00 N ATOM 983 CA TRP A 233 -7.183 5.362 2.242 1.00 0.00 C ATOM 984 C TRP A 233 -6.280 5.081 3.435 1.00 0.00 C ATOM 985 O TRP A 233 -5.295 5.758 3.648 1.00 0.00 O ATOM 986 CB TRP A 233 -6.573 4.719 0.988 1.00 0.00 C ATOM 987 CG TRP A 233 -7.585 4.719 -0.109 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.822 5.751 -0.950 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.491 3.654 -0.501 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.833 5.390 -1.825 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.277 4.104 -1.588 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.714 2.355 -0.012 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.240 3.287 -2.179 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.682 1.531 -0.601 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.446 1.996 -1.678 1.00 0.00 C ATOM 0 H TRP A 233 -6.469 7.303 1.721 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.170 4.942 2.438 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.685 5.270 0.679 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.256 3.699 1.206 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.308 6.701 -0.941 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.204 5.999 -2.554 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -8.135 1.990 0.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.821 3.647 -3.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.840 0.532 -0.222 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -11.195 1.358 -2.123 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.621 4.065 4.203 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.807 3.677 5.399 1.00 0.00 C ATOM 1008 C GLU A 234 -5.543 2.162 5.359 1.00 0.00 C ATOM 1009 O GLU A 234 -6.456 1.365 5.248 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.601 3.958 6.677 1.00 0.00 C ATOM 1011 CG GLU A 234 -7.033 5.422 6.728 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.959 5.622 7.931 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -7.461 5.622 9.045 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -9.150 5.767 7.718 1.00 0.00 O ATOM 0 H GLU A 234 -7.443 3.482 4.045 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.876 4.244 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.478 3.312 6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.992 3.722 7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -6.161 6.070 6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.547 5.696 5.807 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.317 1.748 5.490 1.00 0.00 N ATOM 1022 CA LEU A 235 -4.035 0.282 5.500 1.00 0.00 C ATOM 1023 C LEU A 235 -4.615 -0.293 6.793 1.00 0.00 C ATOM 1024 O LEU A 235 -3.944 -0.306 7.803 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.524 0.049 5.495 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.890 0.768 4.304 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.370 0.664 4.409 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -2.376 0.145 2.987 1.00 0.00 C ATOM 0 H LEU A 235 -3.501 2.352 5.590 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.476 -0.194 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -2.088 0.414 6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.312 -1.019 5.441 1.00 0.00 H new ATOM 0 HG LEU A 235 -2.184 1.818 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.089 1.175 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -0.037 1.128 5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -0.076 -0.386 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.917 0.666 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.096 -0.908 2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.460 0.234 2.921 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.852 -0.751 6.799 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.415 -1.288 8.080 1.00 0.00 C ATOM 1042 C LYS A 236 -5.439 -2.346 8.655 1.00 0.00 C ATOM 1043 O LYS A 236 -5.272 -3.402 8.073 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.806 -1.937 7.869 1.00 0.00 C ATOM 1045 CG LYS A 236 -7.903 -2.613 6.503 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.274 -3.281 6.378 1.00 0.00 C ATOM 1047 CE LYS A 236 -9.357 -4.010 5.037 1.00 0.00 C ATOM 1048 NZ LYS A 236 -10.689 -4.656 4.881 1.00 0.00 N ATOM 0 H LYS A 236 -6.478 -0.775 5.994 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.535 -0.456 8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -7.990 -2.671 8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -8.581 -1.176 7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -7.767 -1.879 5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -7.111 -3.354 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -9.426 -3.984 7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -10.064 -2.533 6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -9.189 -3.306 4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -8.571 -4.763 4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -10.731 -5.148 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -10.834 -5.342 5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.433 -3.931 4.919 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.791 -2.073 9.781 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.827 -3.026 10.411 1.00 0.00 C ATOM 1064 C PRO A 237 -4.510 -4.028 11.340 1.00 0.00 C ATOM 1065 O PRO A 237 -3.876 -4.669 12.158 1.00 0.00 O ATOM 1066 CB PRO A 237 -2.923 -2.103 11.211 1.00 0.00 C ATOM 1067 CG PRO A 237 -3.817 -1.000 11.671 1.00 0.00 C ATOM 1068 CD PRO A 237 -4.896 -0.836 10.590 1.00 0.00 C ATOM 0 HA PRO A 237 -3.311 -3.637 9.671 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -2.472 -2.625 12.055 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.106 -1.721 10.599 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -4.266 -1.241 12.635 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -3.256 -0.075 11.803 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -5.888 -0.731 11.030 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -4.720 0.053 9.984 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.791 -4.136 11.234 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.554 -5.062 12.118 1.00 0.00 C ATOM 1078 C GLU A 238 -6.048 -6.501 11.977 1.00 0.00 C ATOM 1079 O GLU A 238 -5.946 -7.216 12.952 1.00 0.00 O ATOM 1080 CB GLU A 238 -8.022 -5.007 11.709 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.598 -3.647 12.077 1.00 0.00 C ATOM 1082 CD GLU A 238 -10.093 -3.634 11.753 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -10.502 -4.409 10.905 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -10.803 -2.851 12.358 1.00 0.00 O ATOM 0 H GLU A 238 -6.360 -3.618 10.564 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.423 -4.755 13.156 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -8.119 -5.177 10.637 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.580 -5.798 12.209 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.441 -3.446 13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -8.086 -2.859 11.524 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.761 -6.944 10.778 1.00 0.00 N ATOM 1092 CA TYR A 239 -5.297 -8.362 10.583 1.00 0.00 C ATOM 1093 C TYR A 239 -4.038 -8.440 9.724 1.00 0.00 C ATOM 1094 O TYR A 239 -3.817 -9.439 9.069 1.00 0.00 O ATOM 1095 CB TYR A 239 -6.394 -9.131 9.853 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.570 -8.533 8.471 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -7.239 -7.314 8.327 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -6.055 -9.185 7.341 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.401 -6.740 7.070 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -6.219 -8.611 6.076 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.890 -7.386 5.940 1.00 0.00 C ATOM 1102 OH TYR A 239 -7.055 -6.823 4.693 1.00 0.00 O ATOM 0 H TYR A 239 -5.826 -6.390 9.924 1.00 0.00 H new ATOM 0 HA TYR A 239 -5.079 -8.779 11.566 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -6.130 -10.186 9.777 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -7.329 -9.076 10.410 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.633 -6.814 9.199 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -5.535 -10.125 7.447 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.920 -5.798 6.967 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.828 -9.112 5.202 1.00 0.00 H new ATOM 0 HH TYR A 239 -8.009 -6.676 4.524 1.00 0.00 H new ATOM 1112 N ARG A 240 -3.207 -7.440 9.692 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.999 -7.570 8.830 1.00 0.00 C ATOM 1114 C ARG A 240 -0.990 -8.495 9.502 1.00 0.00 C ATOM 1115 O ARG A 240 -0.357 -8.142 10.476 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.355 -6.197 8.583 1.00 0.00 C ATOM 1117 CG ARG A 240 -2.130 -5.425 7.509 1.00 0.00 C ATOM 1118 CD ARG A 240 -1.353 -4.162 7.142 1.00 0.00 C ATOM 1119 NE ARG A 240 -0.991 -3.421 8.385 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.146 -2.429 8.332 1.00 0.00 C ATOM 1121 NH1 ARG A 240 0.351 -2.052 7.182 1.00 0.00 N ATOM 1122 NH2 ARG A 240 0.190 -1.809 9.429 1.00 0.00 N ATOM 0 H ARG A 240 -3.303 -6.564 10.206 1.00 0.00 H new ATOM 0 HA ARG A 240 -2.301 -7.989 7.870 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.339 -5.624 9.510 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -0.319 -6.326 8.270 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.272 -6.049 6.626 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -3.122 -5.163 7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -0.452 -4.425 6.587 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -1.955 -3.528 6.491 1.00 0.00 H new ATOM 0 HE ARG A 240 -1.405 -3.690 9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 240 0.078 -2.534 6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 240 1.012 -1.276 7.142 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -0.208 -2.101 10.322 1.00 0.00 H new ATOM 0 HH22 ARG A 240 0.850 -1.032 9.394 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.805 -9.674 8.972 1.00 0.00 N ATOM 1137 CA HIS A 241 0.198 -10.587 9.573 1.00 0.00 C ATOM 1138 C HIS A 241 1.576 -10.011 9.265 1.00 0.00 C ATOM 1139 O HIS A 241 2.536 -10.210 9.983 1.00 0.00 O ATOM 1140 CB HIS A 241 0.070 -11.981 8.954 1.00 0.00 C ATOM 1141 CG HIS A 241 -1.216 -12.608 9.393 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -1.318 -13.324 10.574 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -2.456 -12.661 8.808 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.579 -13.782 10.659 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -3.316 -13.405 9.608 1.00 0.00 N ATOM 0 H HIS A 241 -1.301 -10.038 8.158 1.00 0.00 H new ATOM 0 HA HIS A 241 0.045 -10.675 10.649 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.100 -11.911 7.867 1.00 0.00 H new ATOM 0 HB3 HIS A 241 0.912 -12.603 9.257 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -2.723 -12.196 7.870 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.952 -14.381 11.476 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -4.298 -13.618 9.432 1.00 0.00 H new ATOM 1153 N TYR A 242 1.660 -9.282 8.188 1.00 0.00 N ATOM 1154 CA TYR A 242 2.941 -8.658 7.783 1.00 0.00 C ATOM 1155 C TYR A 242 3.019 -7.241 8.367 1.00 0.00 C ATOM 1156 O TYR A 242 2.099 -6.457 8.243 1.00 0.00 O ATOM 1157 CB TYR A 242 2.966 -8.598 6.259 1.00 0.00 C ATOM 1158 CG TYR A 242 4.098 -7.720 5.806 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.375 -8.252 5.600 1.00 0.00 C ATOM 1160 CD2 TYR A 242 3.866 -6.358 5.614 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.420 -7.417 5.198 1.00 0.00 C ATOM 1162 CE2 TYR A 242 4.911 -5.525 5.210 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.191 -6.056 5.006 1.00 0.00 C ATOM 1164 OH TYR A 242 7.226 -5.236 4.619 1.00 0.00 O ATOM 0 H TYR A 242 0.877 -9.091 7.562 1.00 0.00 H new ATOM 0 HA TYR A 242 3.790 -9.234 8.150 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.083 -9.601 5.848 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.019 -8.209 5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 242 5.553 -9.306 5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 242 2.880 -5.949 5.778 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.406 -7.826 5.036 1.00 0.00 H new ATOM 0 HE2 TYR A 242 4.732 -4.471 5.055 1.00 0.00 H new ATOM 0 HH TYR A 242 6.899 -4.317 4.528 1.00 0.00 H new ATOM 1174 N GLN A 243 4.117 -6.918 9.005 1.00 0.00 N ATOM 1175 CA GLN A 243 4.286 -5.560 9.608 1.00 0.00 C ATOM 1176 C GLN A 243 5.758 -5.149 9.537 1.00 0.00 C ATOM 1177 O GLN A 243 6.123 -4.060 9.932 1.00 0.00 O ATOM 1178 CB GLN A 243 3.836 -5.592 11.075 1.00 0.00 C ATOM 1179 CG GLN A 243 2.310 -5.721 11.141 1.00 0.00 C ATOM 1180 CD GLN A 243 1.865 -5.651 12.601 1.00 0.00 C ATOM 1181 OE1 GLN A 243 2.564 -5.097 13.427 1.00 0.00 O ATOM 1182 NE2 GLN A 243 0.724 -6.184 12.954 1.00 0.00 N ATOM 0 H GLN A 243 4.912 -7.544 9.135 1.00 0.00 H new ATOM 0 HA GLN A 243 3.680 -4.841 9.057 1.00 0.00 H new ATOM 0 HB2 GLN A 243 4.305 -6.430 11.592 1.00 0.00 H new ATOM 0 HB3 GLN A 243 4.157 -4.683 11.584 1.00 0.00 H new ATOM 0 HG2 GLN A 243 1.840 -4.923 10.566 1.00 0.00 H new ATOM 0 HG3 GLN A 243 1.993 -6.664 10.696 1.00 0.00 H new ATOM 0 HE21 GLN A 243 0.141 -6.648 12.258 1.00 0.00 H new ATOM 0 HE22 GLN A 243 0.417 -6.136 13.926 1.00 0.00 H new TER 1191 GLN A 243