USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=9 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= -2.73! C(o=-3.1!,f=-2.2!) USER MOD Set 1.2: A 232 THR OG1 : rot -160:sc= -0.389 USER MOD Set 2.1: A 194 HIS : no HD1:sc= -1.4 X(o=-1.1,f=-0.86) USER MOD Set 2.2: A 197 TYR OH : rot 55:sc= 0.254 USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= -5.4! C(o=-5.4!,f=-4!) USER MOD Single : A 182 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=-0.13) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 SER OG : rot -42:sc= 0.647 USER MOD Single : A 193 LYS NZ :NH3+ 151:sc= -0.0956 (180deg=-0.589) USER MOD Single : A 195 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -4.26! C(o=-4.3!,f=-18!) USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot 2:sc= 0.535 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= -4.39! C(o=-4.4!,f=-6.8!) USER MOD Single : A 212 TYR OH : rot 65:sc= 0.452 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 GLN : amide:sc= -13.7! C(o=-14!,f=-2.8!) 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= -0.0337 X(o=-0.034,f=-0.034) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 239 TYR OH : rot -22:sc= -0.393 USER MOD Single : A 241 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 242 TYR OH : rot 122:sc= 0.515 USER MOD Single : A 243 GLN : amide:sc= 0.543 K(o=0.54,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 4.306 -13.788 -10.795 1.00 0.00 N ATOM 2 CA ARG A 175 3.936 -12.918 -11.946 1.00 0.00 C ATOM 3 C ARG A 175 4.120 -11.448 -11.562 1.00 0.00 C ATOM 4 O ARG A 175 5.146 -11.056 -11.041 1.00 0.00 O ATOM 5 CB ARG A 175 2.476 -13.177 -12.351 1.00 0.00 C ATOM 6 CG ARG A 175 1.524 -12.967 -11.149 1.00 0.00 C ATOM 7 CD ARG A 175 0.137 -12.555 -11.655 1.00 0.00 C ATOM 8 NE ARG A 175 -0.333 -13.549 -12.655 1.00 0.00 N ATOM 9 CZ ARG A 175 -1.588 -13.583 -12.996 1.00 0.00 C ATOM 10 NH1 ARG A 175 -2.433 -12.760 -12.442 1.00 0.00 N ATOM 11 NH2 ARG A 175 -2.001 -14.437 -13.889 1.00 0.00 N ATOM 0 HA ARG A 175 4.583 -13.149 -12.792 1.00 0.00 H new ATOM 0 HB2 ARG A 175 2.195 -12.507 -13.164 1.00 0.00 H new ATOM 0 HB3 ARG A 175 2.374 -14.195 -12.727 1.00 0.00 H new ATOM 0 HG2 ARG A 175 1.451 -13.885 -10.566 1.00 0.00 H new ATOM 0 HG3 ARG A 175 1.923 -12.199 -10.486 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.565 -12.498 -10.823 1.00 0.00 H new ATOM 0 HD3 ARG A 175 0.180 -11.563 -12.104 1.00 0.00 H new ATOM 0 HE ARG A 175 0.328 -14.204 -13.073 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -2.110 -12.091 -11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -3.418 -12.785 -12.708 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -1.340 -15.081 -14.323 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -2.986 -14.461 -14.154 1.00 0.00 H new ATOM 25 N ALA A 176 3.132 -10.635 -11.811 1.00 0.00 N ATOM 26 CA ALA A 176 3.242 -9.194 -11.457 1.00 0.00 C ATOM 27 C ALA A 176 3.094 -9.043 -9.943 1.00 0.00 C ATOM 28 O ALA A 176 2.931 -7.953 -9.430 1.00 0.00 O ATOM 29 CB ALA A 176 2.141 -8.404 -12.172 1.00 0.00 C ATOM 0 H ALA A 176 2.251 -10.908 -12.246 1.00 0.00 H new ATOM 0 HA ALA A 176 4.212 -8.808 -11.769 1.00 0.00 H new ATOM 0 HB1 ALA A 176 2.223 -7.349 -11.912 1.00 0.00 H new ATOM 0 HB2 ALA A 176 2.251 -8.521 -13.250 1.00 0.00 H new ATOM 0 HB3 ALA A 176 1.165 -8.779 -11.864 1.00 0.00 H new ATOM 35 N ARG A 177 3.150 -10.131 -9.220 1.00 0.00 N ATOM 36 CA ARG A 177 3.013 -10.050 -7.738 1.00 0.00 C ATOM 37 C ARG A 177 4.288 -9.460 -7.141 1.00 0.00 C ATOM 38 O ARG A 177 4.339 -9.124 -5.975 1.00 0.00 O ATOM 39 CB ARG A 177 2.776 -11.444 -7.152 1.00 0.00 C ATOM 40 CG ARG A 177 2.540 -11.332 -5.637 1.00 0.00 C ATOM 41 CD ARG A 177 1.829 -12.586 -5.128 1.00 0.00 C ATOM 42 NE ARG A 177 0.485 -12.673 -5.761 1.00 0.00 N ATOM 43 CZ ARG A 177 -0.198 -13.778 -5.691 1.00 0.00 C ATOM 44 NH1 ARG A 177 0.324 -14.828 -5.122 1.00 0.00 N ATOM 45 NH2 ARG A 177 -1.396 -13.833 -6.198 1.00 0.00 N ATOM 0 H ARG A 177 3.285 -11.071 -9.593 1.00 0.00 H new ATOM 0 HA ARG A 177 2.163 -9.413 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.915 -11.910 -7.631 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.636 -12.084 -7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.491 -11.208 -5.120 1.00 0.00 H new ATOM 0 HG3 ARG A 177 1.940 -10.449 -5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 177 2.415 -13.474 -5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 177 1.732 -12.549 -4.043 1.00 0.00 H new ATOM 0 HE ARG A 177 0.099 -11.866 -6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 177 1.266 -14.782 -4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -0.209 -15.696 -5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -1.797 -13.011 -6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -1.933 -14.698 -6.144 1.00 0.00 H new ATOM 59 N ALA A 178 5.317 -9.316 -7.923 1.00 0.00 N ATOM 60 CA ALA A 178 6.565 -8.729 -7.371 1.00 0.00 C ATOM 61 C ALA A 178 6.267 -7.286 -7.003 1.00 0.00 C ATOM 62 O ALA A 178 6.622 -6.801 -5.946 1.00 0.00 O ATOM 63 CB ALA A 178 7.657 -8.757 -8.435 1.00 0.00 C ATOM 0 H ALA A 178 5.349 -9.576 -8.909 1.00 0.00 H new ATOM 0 HA ALA A 178 6.902 -9.293 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.572 -8.326 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.844 -9.787 -8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.336 -8.178 -9.301 1.00 0.00 H new ATOM 69 N ASP A 179 5.589 -6.609 -7.880 1.00 0.00 N ATOM 70 CA ASP A 179 5.215 -5.202 -7.621 1.00 0.00 C ATOM 71 C ASP A 179 4.290 -5.160 -6.412 1.00 0.00 C ATOM 72 O ASP A 179 4.361 -4.274 -5.596 1.00 0.00 O ATOM 73 CB ASP A 179 4.493 -4.640 -8.849 1.00 0.00 C ATOM 74 CG ASP A 179 5.499 -4.473 -9.990 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.678 -4.358 -9.701 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.075 -4.468 -11.134 1.00 0.00 O ATOM 0 H ASP A 179 5.275 -6.978 -8.777 1.00 0.00 H new ATOM 0 HA ASP A 179 6.104 -4.603 -7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.689 -5.311 -9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.034 -3.681 -8.609 1.00 0.00 H new ATOM 81 N LYS A 180 3.408 -6.113 -6.297 1.00 0.00 N ATOM 82 CA LYS A 180 2.469 -6.111 -5.141 1.00 0.00 C ATOM 83 C LYS A 180 3.252 -5.999 -3.835 1.00 0.00 C ATOM 84 O LYS A 180 3.062 -5.085 -3.062 1.00 0.00 O ATOM 85 CB LYS A 180 1.665 -7.422 -5.131 1.00 0.00 C ATOM 86 CG LYS A 180 0.528 -7.335 -4.102 1.00 0.00 C ATOM 87 CD LYS A 180 -0.003 -8.742 -3.751 1.00 0.00 C ATOM 88 CE LYS A 180 0.857 -9.386 -2.652 1.00 0.00 C ATOM 89 NZ LYS A 180 0.234 -10.676 -2.222 1.00 0.00 N ATOM 0 H LYS A 180 3.297 -6.889 -6.949 1.00 0.00 H new ATOM 0 HA LYS A 180 1.793 -5.261 -5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.255 -7.614 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.321 -8.258 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 180 0.886 -6.841 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 180 -0.283 -6.724 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -1.038 -8.673 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 180 0.003 -9.371 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 180 1.867 -9.563 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 180 0.944 -8.711 -1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 0.816 -11.112 -1.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -0.721 -10.494 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 0.173 -11.320 -3.036 1.00 0.00 H new ATOM 103 N GLN A 181 4.128 -6.929 -3.585 1.00 0.00 N ATOM 104 CA GLN A 181 4.922 -6.892 -2.329 1.00 0.00 C ATOM 105 C GLN A 181 5.801 -5.636 -2.297 1.00 0.00 C ATOM 106 O GLN A 181 5.867 -4.933 -1.306 1.00 0.00 O ATOM 107 CB GLN A 181 5.787 -8.153 -2.271 1.00 0.00 C ATOM 108 CG GLN A 181 6.451 -8.265 -0.899 1.00 0.00 C ATOM 109 CD GLN A 181 7.625 -7.295 -0.822 1.00 0.00 C ATOM 110 OE1 GLN A 181 8.665 -7.523 -1.407 1.00 0.00 O ATOM 111 NE2 GLN A 181 7.490 -6.208 -0.121 1.00 0.00 N ATOM 0 H GLN A 181 4.329 -7.717 -4.200 1.00 0.00 H new ATOM 0 HA GLN A 181 4.258 -6.859 -1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.174 -9.034 -2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.547 -8.119 -3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.729 -8.041 -0.114 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.797 -9.285 -0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.614 -6.022 0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.260 -5.541 -0.060 1.00 0.00 H new ATOM 120 N HIS A 182 6.464 -5.338 -3.378 1.00 0.00 N ATOM 121 CA HIS A 182 7.329 -4.128 -3.418 1.00 0.00 C ATOM 122 C HIS A 182 6.453 -2.875 -3.314 1.00 0.00 C ATOM 123 O HIS A 182 6.847 -1.875 -2.745 1.00 0.00 O ATOM 124 CB HIS A 182 8.100 -4.131 -4.734 1.00 0.00 C ATOM 125 CG HIS A 182 9.009 -2.942 -4.805 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.765 -2.504 -3.729 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.310 -2.109 -5.842 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.484 -1.444 -4.149 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.244 -1.159 -5.431 1.00 0.00 N ATOM 0 H HIS A 182 6.444 -5.883 -4.240 1.00 0.00 H new ATOM 0 HA HIS A 182 8.032 -4.131 -2.585 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.682 -5.048 -4.820 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.403 -4.115 -5.572 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.888 -2.175 -6.834 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.171 -0.892 -3.524 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.654 -0.410 -5.988 1.00 0.00 H new ATOM 137 N VAL A 183 5.266 -2.922 -3.855 1.00 0.00 N ATOM 138 CA VAL A 183 4.365 -1.736 -3.786 1.00 0.00 C ATOM 139 C VAL A 183 3.944 -1.507 -2.332 1.00 0.00 C ATOM 140 O VAL A 183 3.849 -0.385 -1.872 1.00 0.00 O ATOM 141 CB VAL A 183 3.130 -1.988 -4.669 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.024 -0.973 -4.338 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.520 -1.862 -6.162 1.00 0.00 C ATOM 0 H VAL A 183 4.881 -3.731 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 183 4.884 -0.848 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 183 2.758 -2.994 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.156 -1.162 -4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.740 -1.073 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.391 0.037 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.643 -2.041 -6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 183 3.903 -0.860 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.290 -2.596 -6.400 1.00 0.00 H new ATOM 153 N LEU A 184 3.697 -2.557 -1.601 1.00 0.00 N ATOM 154 CA LEU A 184 3.293 -2.378 -0.183 1.00 0.00 C ATOM 155 C LEU A 184 4.397 -1.637 0.571 1.00 0.00 C ATOM 156 O LEU A 184 4.128 -0.798 1.408 1.00 0.00 O ATOM 157 CB LEU A 184 3.050 -3.745 0.455 1.00 0.00 C ATOM 158 CG LEU A 184 1.779 -4.383 -0.132 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.662 -5.821 0.382 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.527 -3.582 0.291 1.00 0.00 C ATOM 0 H LEU A 184 3.757 -3.523 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 184 2.374 -1.794 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.907 -4.395 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.947 -3.638 1.535 1.00 0.00 H new ATOM 0 HG LEU A 184 1.845 -4.377 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.764 -6.282 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.537 -6.391 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.602 -5.815 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.363 -4.047 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.450 -3.575 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.610 -2.558 -0.074 1.00 0.00 H new ATOM 172 N ASP A 185 5.640 -1.919 0.284 1.00 0.00 N ATOM 173 CA ASP A 185 6.734 -1.199 0.999 1.00 0.00 C ATOM 174 C ASP A 185 6.565 0.298 0.756 1.00 0.00 C ATOM 175 O ASP A 185 6.742 1.110 1.643 1.00 0.00 O ATOM 176 CB ASP A 185 8.103 -1.666 0.482 1.00 0.00 C ATOM 177 CG ASP A 185 8.407 -3.064 1.024 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.675 -3.515 1.889 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.370 -3.659 0.568 1.00 0.00 O ATOM 0 H ASP A 185 5.943 -2.607 -0.405 1.00 0.00 H new ATOM 0 HA ASP A 185 6.682 -1.412 2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.106 -1.679 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.879 -0.967 0.795 1.00 0.00 H new ATOM 184 N MET A 186 6.210 0.668 -0.444 1.00 0.00 N ATOM 185 CA MET A 186 6.011 2.109 -0.755 1.00 0.00 C ATOM 186 C MET A 186 4.863 2.666 0.088 1.00 0.00 C ATOM 187 O MET A 186 4.878 3.815 0.485 1.00 0.00 O ATOM 188 CB MET A 186 5.690 2.277 -2.247 1.00 0.00 C ATOM 189 CG MET A 186 6.900 1.854 -3.086 1.00 0.00 C ATOM 190 SD MET A 186 8.288 2.970 -2.749 1.00 0.00 S ATOM 191 CE MET A 186 9.286 2.537 -4.191 1.00 0.00 C ATOM 0 H MET A 186 6.049 0.031 -1.224 1.00 0.00 H new ATOM 0 HA MET A 186 6.924 2.656 -0.521 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.822 1.673 -2.512 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.433 3.315 -2.459 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.179 0.827 -2.849 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.648 1.880 -4.146 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.208 3.119 -4.184 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.528 1.475 -4.160 1.00 0.00 H new ATOM 0 HE3 MET A 186 8.726 2.756 -5.100 1.00 0.00 H new ATOM 201 N LEU A 187 3.867 1.870 0.376 1.00 0.00 N ATOM 202 CA LEU A 187 2.736 2.381 1.201 1.00 0.00 C ATOM 203 C LEU A 187 3.225 2.688 2.607 1.00 0.00 C ATOM 204 O LEU A 187 2.956 3.742 3.148 1.00 0.00 O ATOM 205 CB LEU A 187 1.627 1.328 1.300 1.00 0.00 C ATOM 206 CG LEU A 187 1.115 0.941 -0.090 1.00 0.00 C ATOM 207 CD1 LEU A 187 -0.084 -0.001 0.069 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.695 2.196 -0.869 1.00 0.00 C ATOM 0 H LEU A 187 3.789 0.898 0.078 1.00 0.00 H new ATOM 0 HA LEU A 187 2.348 3.282 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 187 2.005 0.443 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.804 1.716 1.900 1.00 0.00 H new ATOM 0 HG LEU A 187 1.908 0.440 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.458 -0.284 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.225 -0.895 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.873 0.505 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.333 1.908 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -0.098 2.712 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.552 2.861 -0.977 1.00 0.00 H new ATOM 220 N PHE A 188 3.943 1.790 3.214 1.00 0.00 N ATOM 221 CA PHE A 188 4.422 2.071 4.587 1.00 0.00 C ATOM 222 C PHE A 188 5.279 3.328 4.576 1.00 0.00 C ATOM 223 O PHE A 188 5.198 4.148 5.468 1.00 0.00 O ATOM 224 CB PHE A 188 5.234 0.882 5.123 1.00 0.00 C ATOM 225 CG PHE A 188 4.296 -0.211 5.597 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.846 -0.221 6.924 1.00 0.00 C ATOM 227 CD2 PHE A 188 3.882 -1.212 4.713 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.982 -1.231 7.364 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.016 -2.223 5.153 1.00 0.00 C ATOM 230 CZ PHE A 188 2.568 -2.232 6.478 1.00 0.00 C ATOM 0 H PHE A 188 4.215 0.887 2.825 1.00 0.00 H new ATOM 0 HA PHE A 188 3.564 2.225 5.241 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.890 0.497 4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.872 1.207 5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 188 4.166 0.551 7.608 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.230 -1.206 3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.635 -1.238 8.387 1.00 0.00 H new ATOM 0 HE2 PHE A 188 2.695 -2.995 4.469 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.902 -3.012 6.817 1.00 0.00 H new ATOM 240 N SER A 189 6.102 3.505 3.583 1.00 0.00 N ATOM 241 CA SER A 189 6.942 4.726 3.566 1.00 0.00 C ATOM 242 C SER A 189 6.030 5.953 3.495 1.00 0.00 C ATOM 243 O SER A 189 6.200 6.917 4.223 1.00 0.00 O ATOM 244 CB SER A 189 7.876 4.695 2.354 1.00 0.00 C ATOM 245 OG SER A 189 7.110 4.751 1.159 1.00 0.00 O ATOM 0 H SER A 189 6.227 2.868 2.796 1.00 0.00 H new ATOM 0 HA SER A 189 7.547 4.772 4.472 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.568 5.536 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.478 3.786 2.370 1.00 0.00 H new ATOM 0 HG SER A 189 6.322 4.175 1.248 1.00 0.00 H new ATOM 251 N ALA A 190 5.049 5.918 2.634 1.00 0.00 N ATOM 252 CA ALA A 190 4.113 7.072 2.522 1.00 0.00 C ATOM 253 C ALA A 190 3.296 7.184 3.806 1.00 0.00 C ATOM 254 O ALA A 190 3.168 8.246 4.375 1.00 0.00 O ATOM 255 CB ALA A 190 3.167 6.866 1.336 1.00 0.00 C ATOM 0 H ALA A 190 4.856 5.140 2.004 1.00 0.00 H new ATOM 0 HA ALA A 190 4.687 7.985 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.486 7.714 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.748 6.785 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.592 5.952 1.484 1.00 0.00 H new ATOM 261 N PHE A 191 2.749 6.095 4.278 1.00 0.00 N ATOM 262 CA PHE A 191 1.948 6.162 5.534 1.00 0.00 C ATOM 263 C PHE A 191 2.859 6.531 6.700 1.00 0.00 C ATOM 264 O PHE A 191 2.409 7.020 7.714 1.00 0.00 O ATOM 265 CB PHE A 191 1.266 4.816 5.803 1.00 0.00 C ATOM 266 CG PHE A 191 0.030 4.704 4.949 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.057 5.554 5.192 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.033 3.764 3.918 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.206 5.462 4.404 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.180 3.671 3.126 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.269 4.519 3.369 1.00 0.00 C ATOM 0 H PHE A 191 2.821 5.171 3.853 1.00 0.00 H new ATOM 0 HA PHE A 191 1.176 6.924 5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.951 3.998 5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 191 1.002 4.733 6.857 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.006 6.281 5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.805 3.109 3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.045 6.116 4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.228 2.946 2.327 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.157 4.446 2.759 1.00 0.00 H new ATOM 281 N GLU A 192 4.133 6.324 6.564 1.00 0.00 N ATOM 282 CA GLU A 192 5.054 6.695 7.668 1.00 0.00 C ATOM 283 C GLU A 192 5.109 8.220 7.785 1.00 0.00 C ATOM 284 O GLU A 192 5.334 8.760 8.852 1.00 0.00 O ATOM 285 CB GLU A 192 6.457 6.160 7.389 1.00 0.00 C ATOM 286 CG GLU A 192 7.385 6.556 8.539 1.00 0.00 C ATOM 287 CD GLU A 192 8.759 5.928 8.327 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.920 5.227 7.342 1.00 0.00 O ATOM 289 OE2 GLU A 192 9.628 6.158 9.152 1.00 0.00 O ATOM 0 H GLU A 192 4.576 5.916 5.741 1.00 0.00 H new ATOM 0 HA GLU A 192 4.688 6.261 8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.431 5.075 7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.832 6.563 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 192 7.474 7.641 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 192 6.965 6.225 9.489 1.00 0.00 H new ATOM 296 N LYS A 193 4.924 8.923 6.697 1.00 0.00 N ATOM 297 CA LYS A 193 4.990 10.414 6.761 1.00 0.00 C ATOM 298 C LYS A 193 3.637 10.979 7.218 1.00 0.00 C ATOM 299 O LYS A 193 3.573 12.015 7.849 1.00 0.00 O ATOM 300 CB LYS A 193 5.300 10.979 5.374 1.00 0.00 C ATOM 301 CG LYS A 193 6.588 10.363 4.817 1.00 0.00 C ATOM 302 CD LYS A 193 7.763 10.625 5.767 1.00 0.00 C ATOM 303 CE LYS A 193 9.077 10.503 4.991 1.00 0.00 C ATOM 304 NZ LYS A 193 9.211 11.672 4.076 1.00 0.00 N ATOM 0 H LYS A 193 4.732 8.533 5.774 1.00 0.00 H new ATOM 0 HA LYS A 193 5.772 10.696 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.470 10.774 4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.404 12.063 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 193 6.455 9.290 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.805 10.785 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 193 7.677 11.619 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 193 7.746 9.911 6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 193 9.920 10.467 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 193 9.092 9.575 4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 10.219 11.882 3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 8.764 11.451 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 8.744 12.499 4.499 1.00 0.00 H new ATOM 318 N HIS A 194 2.556 10.309 6.907 1.00 0.00 N ATOM 319 CA HIS A 194 1.210 10.815 7.324 1.00 0.00 C ATOM 320 C HIS A 194 0.228 9.645 7.485 1.00 0.00 C ATOM 321 O HIS A 194 0.300 8.653 6.791 1.00 0.00 O ATOM 322 CB HIS A 194 0.669 11.792 6.272 1.00 0.00 C ATOM 323 CG HIS A 194 1.437 13.087 6.326 1.00 0.00 C ATOM 324 ND1 HIS A 194 2.188 13.569 5.258 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.567 14.017 7.321 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.730 14.743 5.642 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.381 15.062 6.891 1.00 0.00 N ATOM 0 H HIS A 194 2.546 9.434 6.383 1.00 0.00 H new ATOM 0 HA HIS A 194 1.313 11.330 8.279 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.752 11.352 5.278 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.390 11.980 6.449 1.00 0.00 H new ATOM 0 HD2 HIS A 194 1.107 13.951 8.296 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.368 15.350 5.017 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.652 15.893 7.417 1.00 0.00 H new ATOM 335 N GLN A 195 -0.686 9.755 8.407 1.00 0.00 N ATOM 336 CA GLN A 195 -1.673 8.659 8.629 1.00 0.00 C ATOM 337 C GLN A 195 -2.648 8.521 7.448 1.00 0.00 C ATOM 338 O GLN A 195 -3.150 7.448 7.209 1.00 0.00 O ATOM 339 CB GLN A 195 -2.466 8.941 9.916 1.00 0.00 C ATOM 340 CG GLN A 195 -3.385 7.752 10.244 1.00 0.00 C ATOM 341 CD GLN A 195 -2.536 6.517 10.556 1.00 0.00 C ATOM 342 OE1 GLN A 195 -1.928 6.435 11.605 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.464 5.548 9.682 1.00 0.00 N ATOM 0 H GLN A 195 -0.794 10.562 9.021 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.122 7.723 8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -1.779 9.119 10.744 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.060 9.847 9.795 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.020 7.994 11.097 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.047 7.548 9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.974 5.616 8.801 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -1.898 4.723 9.880 1.00 0.00 H new ATOM 352 N TYR A 196 -2.970 9.596 6.748 1.00 0.00 N ATOM 353 CA TYR A 196 -3.992 9.500 5.630 1.00 0.00 C ATOM 354 C TYR A 196 -3.435 9.857 4.238 1.00 0.00 C ATOM 355 O TYR A 196 -2.667 10.784 4.074 1.00 0.00 O ATOM 356 CB TYR A 196 -5.118 10.461 5.982 1.00 0.00 C ATOM 357 CG TYR A 196 -5.728 9.998 7.280 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.750 9.043 7.272 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.251 10.504 8.496 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.301 8.591 8.475 1.00 0.00 C ATOM 361 CE2 TYR A 196 -5.801 10.054 9.704 1.00 0.00 C ATOM 362 CZ TYR A 196 -6.827 9.096 9.695 1.00 0.00 C ATOM 363 OH TYR A 196 -7.373 8.654 10.887 1.00 0.00 O ATOM 0 H TYR A 196 -2.577 10.525 6.897 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.322 8.464 5.558 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.736 11.477 6.080 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.868 10.477 5.191 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.115 8.653 6.333 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.461 11.240 8.503 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.090 7.854 8.465 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -5.435 10.444 10.642 1.00 0.00 H new ATOM 0 HH TYR A 196 -6.930 9.104 11.636 1.00 0.00 H new ATOM 373 N TYR A 197 -3.870 9.121 3.224 1.00 0.00 N ATOM 374 CA TYR A 197 -3.425 9.393 1.810 1.00 0.00 C ATOM 375 C TYR A 197 -4.574 9.150 0.824 1.00 0.00 C ATOM 376 O TYR A 197 -5.294 8.175 0.918 1.00 0.00 O ATOM 377 CB TYR A 197 -2.255 8.465 1.442 1.00 0.00 C ATOM 378 CG TYR A 197 -0.956 9.040 1.936 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.526 8.794 3.237 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.168 9.807 1.068 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.694 9.314 3.675 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.051 10.329 1.509 1.00 0.00 C ATOM 383 CZ TYR A 197 1.481 10.080 2.812 1.00 0.00 C ATOM 384 OH TYR A 197 2.685 10.585 3.248 1.00 0.00 O ATOM 0 H TYR A 197 -4.518 8.340 3.321 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.111 10.435 1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.413 7.479 1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.214 8.332 0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.134 8.203 3.906 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.502 9.995 0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 197 1.030 9.123 4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.658 10.924 0.843 1.00 0.00 H new ATOM 0 HH TYR A 197 3.244 9.854 3.585 1.00 0.00 H new ATOM 394 N ASN A 198 -4.732 10.020 -0.145 1.00 0.00 N ATOM 395 CA ASN A 198 -5.810 9.824 -1.157 1.00 0.00 C ATOM 396 C ASN A 198 -5.248 9.047 -2.350 1.00 0.00 C ATOM 397 O ASN A 198 -4.052 8.892 -2.497 1.00 0.00 O ATOM 398 CB ASN A 198 -6.358 11.176 -1.631 1.00 0.00 C ATOM 399 CG ASN A 198 -5.344 11.882 -2.530 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.164 11.605 -2.475 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.766 12.789 -3.369 1.00 0.00 N ATOM 0 H ASN A 198 -4.161 10.855 -0.276 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.625 9.262 -0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.291 11.026 -2.174 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.588 11.804 -0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.103 13.266 -3.980 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.758 13.020 -3.414 1.00 0.00 H new ATOM 408 N LEU A 199 -6.104 8.560 -3.197 1.00 0.00 N ATOM 409 CA LEU A 199 -5.646 7.789 -4.388 1.00 0.00 C ATOM 410 C LEU A 199 -4.663 8.617 -5.221 1.00 0.00 C ATOM 411 O LEU A 199 -3.639 8.133 -5.650 1.00 0.00 O ATOM 412 CB LEU A 199 -6.861 7.481 -5.257 1.00 0.00 C ATOM 413 CG LEU A 199 -7.804 6.513 -4.535 1.00 0.00 C ATOM 414 CD1 LEU A 199 -9.083 6.377 -5.360 1.00 0.00 C ATOM 415 CD2 LEU A 199 -7.141 5.128 -4.379 1.00 0.00 C ATOM 0 H LEU A 199 -7.116 8.663 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.153 6.876 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.390 8.404 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.538 7.046 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.031 6.900 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.767 5.691 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.557 7.353 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.839 5.990 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.825 4.453 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.906 4.724 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.224 5.227 -3.799 1.00 0.00 H new ATOM 427 N LYS A 200 -4.986 9.851 -5.481 1.00 0.00 N ATOM 428 CA LYS A 200 -4.090 10.702 -6.318 1.00 0.00 C ATOM 429 C LYS A 200 -2.705 10.850 -5.690 1.00 0.00 C ATOM 430 O LYS A 200 -1.710 10.805 -6.369 1.00 0.00 O ATOM 431 CB LYS A 200 -4.703 12.085 -6.492 1.00 0.00 C ATOM 432 CG LYS A 200 -3.907 12.875 -7.546 1.00 0.00 C ATOM 433 CD LYS A 200 -4.329 14.349 -7.536 1.00 0.00 C ATOM 434 CE LYS A 200 -5.723 14.494 -8.152 1.00 0.00 C ATOM 435 NZ LYS A 200 -6.042 15.940 -8.330 1.00 0.00 N ATOM 0 H LYS A 200 -5.834 10.311 -5.150 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.981 10.211 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.745 11.996 -6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.696 12.619 -5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -2.839 12.794 -7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -4.076 12.448 -8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -4.332 14.729 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -3.610 14.946 -8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -5.762 13.981 -9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -6.467 14.023 -7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -6.989 16.038 -8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -6.021 16.416 -7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -5.339 16.376 -8.960 1.00 0.00 H new ATOM 449 N ASP A 201 -2.614 11.047 -4.415 1.00 0.00 N ATOM 450 CA ASP A 201 -1.261 11.212 -3.824 1.00 0.00 C ATOM 451 C ASP A 201 -0.483 9.919 -4.024 1.00 0.00 C ATOM 452 O ASP A 201 0.702 9.926 -4.294 1.00 0.00 O ATOM 453 CB ASP A 201 -1.367 11.530 -2.331 1.00 0.00 C ATOM 454 CG ASP A 201 -1.911 12.948 -2.148 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.790 13.731 -3.074 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.439 13.229 -1.086 1.00 0.00 O ATOM 0 H ASP A 201 -3.397 11.101 -3.763 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.746 12.038 -4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.024 10.811 -1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.389 11.441 -1.859 1.00 0.00 H new ATOM 461 N LEU A 202 -1.146 8.807 -3.895 1.00 0.00 N ATOM 462 CA LEU A 202 -0.451 7.506 -4.070 1.00 0.00 C ATOM 463 C LEU A 202 0.128 7.374 -5.483 1.00 0.00 C ATOM 464 O LEU A 202 1.191 6.815 -5.661 1.00 0.00 O ATOM 465 CB LEU A 202 -1.421 6.347 -3.796 1.00 0.00 C ATOM 466 CG LEU A 202 -1.754 6.292 -2.293 1.00 0.00 C ATOM 467 CD1 LEU A 202 -2.837 5.240 -2.043 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.492 5.928 -1.474 1.00 0.00 C ATOM 0 H LEU A 202 -2.140 8.743 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 202 0.372 7.466 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.334 6.480 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -0.976 5.404 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.112 7.273 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.070 5.204 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.735 5.502 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.478 4.264 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -0.744 5.893 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.121 4.953 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.279 6.681 -1.639 1.00 0.00 H new ATOM 480 N VAL A 203 -0.542 7.850 -6.501 1.00 0.00 N ATOM 481 CA VAL A 203 0.035 7.684 -7.865 1.00 0.00 C ATOM 482 C VAL A 203 1.331 8.488 -8.004 1.00 0.00 C ATOM 483 O VAL A 203 2.264 8.045 -8.637 1.00 0.00 O ATOM 484 CB VAL A 203 -0.966 8.077 -8.966 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.335 7.485 -8.630 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.054 9.614 -9.138 1.00 0.00 C ATOM 0 H VAL A 203 -1.439 8.333 -6.450 1.00 0.00 H new ATOM 0 HA VAL A 203 0.262 6.626 -7.994 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.618 7.674 -9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -3.050 7.759 -9.406 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -2.258 6.399 -8.575 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.674 7.874 -7.670 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -1.771 9.852 -9.924 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -1.379 10.067 -8.201 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.074 10.006 -9.410 1.00 0.00 H new ATOM 496 N ASP A 204 1.419 9.655 -7.420 1.00 0.00 N ATOM 497 CA ASP A 204 2.685 10.429 -7.551 1.00 0.00 C ATOM 498 C ASP A 204 3.810 9.589 -6.963 1.00 0.00 C ATOM 499 O ASP A 204 4.893 9.500 -7.505 1.00 0.00 O ATOM 500 CB ASP A 204 2.581 11.754 -6.788 1.00 0.00 C ATOM 501 CG ASP A 204 3.781 12.635 -7.149 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.641 12.167 -7.878 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.817 13.767 -6.694 1.00 0.00 O ATOM 0 H ASP A 204 0.684 10.097 -6.869 1.00 0.00 H new ATOM 0 HA ASP A 204 2.878 10.652 -8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.651 12.262 -7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.560 11.569 -5.714 1.00 0.00 H new ATOM 508 N ILE A 205 3.542 8.959 -5.857 1.00 0.00 N ATOM 509 CA ILE A 205 4.562 8.097 -5.210 1.00 0.00 C ATOM 510 C ILE A 205 4.774 6.854 -6.069 1.00 0.00 C ATOM 511 O ILE A 205 5.790 6.193 -5.994 1.00 0.00 O ATOM 512 CB ILE A 205 4.053 7.680 -3.831 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.697 8.945 -3.046 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.148 6.890 -3.106 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.255 8.582 -1.626 1.00 0.00 C ATOM 0 H ILE A 205 2.648 9.006 -5.368 1.00 0.00 H new ATOM 0 HA ILE A 205 5.503 8.638 -5.107 1.00 0.00 H new ATOM 0 HB ILE A 205 3.170 7.047 -3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.559 9.611 -3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.899 9.485 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.789 6.590 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.401 6.002 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.034 7.515 -2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 205 3.005 9.491 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.380 7.934 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.065 8.062 -1.114 1.00 0.00 H new ATOM 527 N THR A 206 3.799 6.522 -6.875 1.00 0.00 N ATOM 528 CA THR A 206 3.905 5.309 -7.732 1.00 0.00 C ATOM 529 C THR A 206 3.124 5.530 -9.032 1.00 0.00 C ATOM 530 O THR A 206 1.919 5.610 -9.039 1.00 0.00 O ATOM 531 CB THR A 206 3.291 4.133 -6.959 1.00 0.00 C ATOM 532 OG1 THR A 206 2.093 4.572 -6.329 1.00 0.00 O ATOM 533 CG2 THR A 206 4.277 3.632 -5.895 1.00 0.00 C ATOM 0 H THR A 206 2.929 7.044 -6.975 1.00 0.00 H new ATOM 0 HA THR A 206 4.947 5.104 -7.977 1.00 0.00 H new ATOM 0 HB THR A 206 3.072 3.318 -7.649 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.929 5.511 -6.556 1.00 0.00 H new ATOM 0 HG21 THR A 206 3.833 2.798 -5.352 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.197 3.302 -6.378 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.502 4.440 -5.199 1.00 0.00 H new ATOM 541 N LYS A 207 3.801 5.616 -10.140 1.00 0.00 N ATOM 542 CA LYS A 207 3.074 5.827 -11.425 1.00 0.00 C ATOM 543 C LYS A 207 2.462 4.514 -11.894 1.00 0.00 C ATOM 544 O LYS A 207 2.304 4.280 -13.076 1.00 0.00 O ATOM 545 CB LYS A 207 4.032 6.339 -12.497 1.00 0.00 C ATOM 546 CG LYS A 207 4.561 7.711 -12.092 1.00 0.00 C ATOM 547 CD LYS A 207 5.401 8.286 -13.233 1.00 0.00 C ATOM 548 CE LYS A 207 5.774 9.729 -12.900 1.00 0.00 C ATOM 549 NZ LYS A 207 6.628 10.289 -13.986 1.00 0.00 N ATOM 0 H LYS A 207 4.816 5.550 -10.215 1.00 0.00 H new ATOM 0 HA LYS A 207 2.288 6.564 -11.261 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.860 5.641 -12.624 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.520 6.404 -13.457 1.00 0.00 H new ATOM 0 HG2 LYS A 207 3.732 8.380 -11.863 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.163 7.629 -11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 207 6.301 7.688 -13.376 1.00 0.00 H new ATOM 0 HD3 LYS A 207 4.842 8.248 -14.168 1.00 0.00 H new ATOM 0 HE2 LYS A 207 4.873 10.331 -12.786 1.00 0.00 H new ATOM 0 HE3 LYS A 207 6.306 9.768 -11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 6.881 11.272 -13.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 7.494 9.720 -14.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 6.106 10.266 -14.885 1.00 0.00 H new ATOM 563 N GLN A 208 2.118 3.647 -10.985 1.00 0.00 N ATOM 564 CA GLN A 208 1.519 2.346 -11.396 1.00 0.00 C ATOM 565 C GLN A 208 -0.013 2.520 -11.546 1.00 0.00 C ATOM 566 O GLN A 208 -0.607 3.329 -10.858 1.00 0.00 O ATOM 567 CB GLN A 208 1.814 1.305 -10.312 1.00 0.00 C ATOM 568 CG GLN A 208 3.334 1.104 -10.200 1.00 0.00 C ATOM 569 CD GLN A 208 3.669 0.374 -8.901 1.00 0.00 C ATOM 570 OE1 GLN A 208 3.524 -0.830 -8.810 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.122 1.062 -7.886 1.00 0.00 N ATOM 0 H GLN A 208 2.224 3.781 -9.979 1.00 0.00 H new ATOM 0 HA GLN A 208 1.941 2.018 -12.346 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.408 1.634 -9.356 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.328 0.361 -10.557 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.697 0.531 -11.053 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.840 2.069 -10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.242 2.072 -7.967 1.00 0.00 H new ATOM 0 HE22 GLN A 208 4.356 0.589 -7.013 1.00 0.00 H new ATOM 580 N PRO A 209 -0.660 1.770 -12.428 1.00 0.00 N ATOM 581 CA PRO A 209 -2.147 1.862 -12.631 1.00 0.00 C ATOM 582 C PRO A 209 -2.920 1.869 -11.307 1.00 0.00 C ATOM 583 O PRO A 209 -2.736 1.017 -10.459 1.00 0.00 O ATOM 584 CB PRO A 209 -2.470 0.594 -13.435 1.00 0.00 C ATOM 585 CG PRO A 209 -1.230 0.326 -14.220 1.00 0.00 C ATOM 586 CD PRO A 209 -0.060 0.773 -13.336 1.00 0.00 C ATOM 0 HA PRO A 209 -2.435 2.788 -13.129 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.713 -0.242 -12.779 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.329 0.746 -14.089 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.148 -0.732 -14.469 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.239 0.875 -15.161 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.366 -0.065 -12.784 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.745 1.207 -13.929 1.00 0.00 H new ATOM 594 N VAL A 210 -3.784 2.833 -11.128 1.00 0.00 N ATOM 595 CA VAL A 210 -4.570 2.915 -9.869 1.00 0.00 C ATOM 596 C VAL A 210 -5.374 1.643 -9.684 1.00 0.00 C ATOM 597 O VAL A 210 -5.445 1.085 -8.604 1.00 0.00 O ATOM 598 CB VAL A 210 -5.510 4.119 -9.922 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.700 5.357 -10.272 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.601 3.908 -10.976 1.00 0.00 C ATOM 0 H VAL A 210 -3.978 3.570 -11.806 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.887 3.033 -9.028 1.00 0.00 H new ATOM 0 HB VAL A 210 -5.989 4.241 -8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.360 6.224 -10.313 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -3.935 5.518 -9.512 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.223 5.218 -11.242 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.259 4.777 -10.997 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -6.140 3.778 -11.955 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -7.181 3.019 -10.727 1.00 0.00 H new ATOM 610 N VAL A 211 -5.986 1.174 -10.727 1.00 0.00 N ATOM 611 CA VAL A 211 -6.791 -0.062 -10.610 1.00 0.00 C ATOM 612 C VAL A 211 -5.950 -1.133 -9.925 1.00 0.00 C ATOM 613 O VAL A 211 -6.443 -1.920 -9.144 1.00 0.00 O ATOM 614 CB VAL A 211 -7.200 -0.519 -12.005 1.00 0.00 C ATOM 615 CG1 VAL A 211 -8.092 0.545 -12.637 1.00 0.00 C ATOM 616 CG2 VAL A 211 -5.955 -0.716 -12.875 1.00 0.00 C ATOM 0 H VAL A 211 -5.963 1.594 -11.656 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.689 0.119 -10.019 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.740 -1.463 -11.932 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.389 0.225 -13.636 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -8.981 0.687 -12.022 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -7.545 1.485 -12.705 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -6.255 -1.043 -13.871 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -5.411 0.226 -12.950 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -5.312 -1.471 -12.424 1.00 0.00 H new ATOM 626 N TYR A 212 -4.678 -1.152 -10.194 1.00 0.00 N ATOM 627 CA TYR A 212 -3.803 -2.154 -9.538 1.00 0.00 C ATOM 628 C TYR A 212 -3.632 -1.762 -8.070 1.00 0.00 C ATOM 629 O TYR A 212 -3.743 -2.581 -7.180 1.00 0.00 O ATOM 630 CB TYR A 212 -2.447 -2.162 -10.236 1.00 0.00 C ATOM 631 CG TYR A 212 -1.581 -3.272 -9.688 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.708 -4.569 -10.200 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.635 -3.003 -8.690 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.888 -5.597 -9.718 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.182 -4.035 -8.202 1.00 0.00 C ATOM 636 CZ TYR A 212 0.055 -5.332 -8.719 1.00 0.00 C ATOM 637 OH TYR A 212 0.865 -6.346 -8.253 1.00 0.00 O ATOM 0 H TYR A 212 -4.208 -0.517 -10.839 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.244 -3.149 -9.603 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.584 -2.295 -11.309 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.952 -1.201 -10.094 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.439 -4.777 -10.967 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.534 -2.002 -8.296 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.984 -6.596 -10.118 1.00 0.00 H new ATOM 0 HE2 TYR A 212 0.908 -3.830 -7.429 1.00 0.00 H new ATOM 0 HH TYR A 212 1.457 -6.649 -8.973 1.00 0.00 H new ATOM 647 N LEU A 213 -3.391 -0.502 -7.819 1.00 0.00 N ATOM 648 CA LEU A 213 -3.235 -0.029 -6.415 1.00 0.00 C ATOM 649 C LEU A 213 -4.566 -0.202 -5.683 1.00 0.00 C ATOM 650 O LEU A 213 -4.618 -0.616 -4.540 1.00 0.00 O ATOM 651 CB LEU A 213 -2.844 1.456 -6.417 1.00 0.00 C ATOM 652 CG LEU A 213 -1.469 1.637 -7.083 1.00 0.00 C ATOM 653 CD1 LEU A 213 -1.132 3.131 -7.152 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.381 0.894 -6.281 1.00 0.00 C ATOM 0 H LEU A 213 -3.295 0.222 -8.531 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.458 -0.607 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.595 2.038 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.815 1.834 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.504 1.221 -8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 213 -0.158 3.263 -7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.892 3.649 -7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -1.106 3.545 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.586 1.032 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.340 1.293 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.619 -0.169 -6.243 1.00 0.00 H new ATOM 666 N LYS A 214 -5.645 0.118 -6.343 1.00 0.00 N ATOM 667 CA LYS A 214 -6.983 -0.016 -5.699 1.00 0.00 C ATOM 668 C LYS A 214 -7.213 -1.460 -5.256 1.00 0.00 C ATOM 669 O LYS A 214 -7.751 -1.706 -4.198 1.00 0.00 O ATOM 670 CB LYS A 214 -8.080 0.377 -6.693 1.00 0.00 C ATOM 671 CG LYS A 214 -8.078 1.893 -6.915 1.00 0.00 C ATOM 672 CD LYS A 214 -9.316 2.276 -7.737 1.00 0.00 C ATOM 673 CE LYS A 214 -9.367 3.798 -7.929 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.168 4.136 -9.143 1.00 0.00 N ATOM 0 H LYS A 214 -5.658 0.467 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 214 -7.017 0.642 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.922 -0.136 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -9.052 0.059 -6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -8.085 2.414 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.170 2.197 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -9.287 1.779 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -10.219 1.934 -7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -9.808 4.269 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -8.356 4.194 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.196 5.169 -9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -9.730 3.701 -9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -11.137 3.774 -9.032 1.00 0.00 H new ATOM 688 N GLU A 215 -6.820 -2.419 -6.051 1.00 0.00 N ATOM 689 CA GLU A 215 -7.041 -3.841 -5.651 1.00 0.00 C ATOM 690 C GLU A 215 -6.258 -4.138 -4.378 1.00 0.00 C ATOM 691 O GLU A 215 -6.747 -4.794 -3.483 1.00 0.00 O ATOM 692 CB GLU A 215 -6.568 -4.782 -6.760 1.00 0.00 C ATOM 693 CG GLU A 215 -7.535 -4.703 -7.944 1.00 0.00 C ATOM 694 CD GLU A 215 -6.945 -5.449 -9.144 1.00 0.00 C ATOM 695 OE1 GLU A 215 -5.764 -5.752 -9.110 1.00 0.00 O ATOM 696 OE2 GLU A 215 -7.684 -5.698 -10.082 1.00 0.00 O ATOM 0 H GLU A 215 -6.360 -2.283 -6.951 1.00 0.00 H new ATOM 0 HA GLU A 215 -8.106 -3.997 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.562 -4.508 -7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.517 -5.805 -6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -8.496 -5.138 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.719 -3.661 -8.206 1.00 0.00 H new ATOM 703 N ILE A 216 -5.050 -3.662 -4.276 1.00 0.00 N ATOM 704 CA ILE A 216 -4.265 -3.933 -3.043 1.00 0.00 C ATOM 705 C ILE A 216 -4.877 -3.149 -1.891 1.00 0.00 C ATOM 706 O ILE A 216 -5.051 -3.655 -0.800 1.00 0.00 O ATOM 707 CB ILE A 216 -2.819 -3.474 -3.245 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.147 -4.337 -4.310 1.00 0.00 C ATOM 709 CG2 ILE A 216 -2.040 -3.588 -1.932 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.856 -3.652 -4.758 1.00 0.00 C ATOM 0 H ILE A 216 -4.576 -3.103 -4.985 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.281 -5.001 -2.824 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.824 -2.433 -3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.929 -5.328 -3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.815 -4.476 -5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -1.013 -3.259 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.510 -2.961 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -2.041 -4.625 -1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.367 -4.260 -5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -1.089 -2.671 -5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.190 -3.536 -3.903 1.00 0.00 H new ATOM 722 N LEU A 217 -5.207 -1.917 -2.130 1.00 0.00 N ATOM 723 CA LEU A 217 -5.815 -1.088 -1.062 1.00 0.00 C ATOM 724 C LEU A 217 -7.211 -1.631 -0.740 1.00 0.00 C ATOM 725 O LEU A 217 -7.666 -1.594 0.378 1.00 0.00 O ATOM 726 CB LEU A 217 -5.920 0.357 -1.546 1.00 0.00 C ATOM 727 CG LEU A 217 -4.516 0.951 -1.757 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.633 2.288 -2.499 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.817 1.182 -0.402 1.00 0.00 C ATOM 0 H LEU A 217 -5.081 -1.445 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.197 -1.123 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.483 0.396 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.469 0.953 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 217 -3.925 0.249 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.639 2.709 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.108 2.127 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.235 2.980 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.826 1.602 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.407 1.874 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.724 0.233 0.126 1.00 0.00 H new ATOM 741 N LYS A 218 -7.897 -2.141 -1.715 1.00 0.00 N ATOM 742 CA LYS A 218 -9.258 -2.685 -1.454 1.00 0.00 C ATOM 743 C LYS A 218 -9.203 -3.824 -0.422 1.00 0.00 C ATOM 744 O LYS A 218 -10.090 -3.972 0.395 1.00 0.00 O ATOM 745 CB LYS A 218 -9.837 -3.212 -2.762 1.00 0.00 C ATOM 746 CG LYS A 218 -11.271 -3.698 -2.531 1.00 0.00 C ATOM 747 CD LYS A 218 -11.909 -4.122 -3.863 1.00 0.00 C ATOM 748 CE LYS A 218 -11.442 -5.529 -4.250 1.00 0.00 C ATOM 749 NZ LYS A 218 -12.159 -5.971 -5.483 1.00 0.00 N ATOM 0 H LYS A 218 -7.579 -2.207 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.887 -1.890 -1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.826 -2.427 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -9.222 -4.029 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.271 -4.538 -1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -11.862 -2.905 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -12.995 -4.103 -3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.639 -3.413 -4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -10.366 -5.532 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -11.636 -6.225 -3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -11.842 -6.926 -5.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -13.183 -5.983 -5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -11.952 -5.312 -6.260 1.00 0.00 H new ATOM 763 N GLU A 219 -8.191 -4.651 -0.472 1.00 0.00 N ATOM 764 CA GLU A 219 -8.116 -5.797 0.488 1.00 0.00 C ATOM 765 C GLU A 219 -7.635 -5.349 1.876 1.00 0.00 C ATOM 766 O GLU A 219 -8.261 -5.643 2.878 1.00 0.00 O ATOM 767 CB GLU A 219 -7.140 -6.832 -0.068 1.00 0.00 C ATOM 768 CG GLU A 219 -7.777 -7.537 -1.267 1.00 0.00 C ATOM 769 CD GLU A 219 -6.728 -8.405 -1.959 1.00 0.00 C ATOM 770 OE1 GLU A 219 -5.551 -8.173 -1.730 1.00 0.00 O ATOM 771 OE2 GLU A 219 -7.118 -9.287 -2.707 1.00 0.00 O ATOM 0 H GLU A 219 -7.416 -4.585 -1.132 1.00 0.00 H new ATOM 0 HA GLU A 219 -9.115 -6.218 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -6.211 -6.348 -0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.886 -7.559 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -8.615 -8.152 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -8.176 -6.802 -1.966 1.00 0.00 H new ATOM 778 N ILE A 220 -6.520 -4.664 1.952 1.00 0.00 N ATOM 779 CA ILE A 220 -5.984 -4.217 3.283 1.00 0.00 C ATOM 780 C ILE A 220 -6.205 -2.716 3.483 1.00 0.00 C ATOM 781 O ILE A 220 -5.957 -2.193 4.543 1.00 0.00 O ATOM 782 CB ILE A 220 -4.483 -4.533 3.356 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.724 -3.790 2.242 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.293 -6.036 3.179 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.210 -3.982 2.421 1.00 0.00 C ATOM 0 H ILE A 220 -5.954 -4.393 1.148 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.515 -4.750 4.072 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.092 -4.210 4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -4.034 -4.165 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -3.970 -2.728 2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.231 -6.277 3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.822 -6.565 3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.690 -6.341 2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.680 -3.453 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.905 -3.585 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.970 -5.044 2.372 1.00 0.00 H new ATOM 797 N GLY A 221 -6.646 -2.010 2.479 1.00 0.00 N ATOM 798 CA GLY A 221 -6.850 -0.534 2.642 1.00 0.00 C ATOM 799 C GLY A 221 -8.267 -0.230 3.135 1.00 0.00 C ATOM 800 O GLY A 221 -9.048 -1.114 3.437 1.00 0.00 O ATOM 0 H GLY A 221 -6.874 -2.383 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.122 -0.138 3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.676 -0.031 1.691 1.00 0.00 H new ATOM 804 N VAL A 222 -8.590 1.034 3.202 1.00 0.00 N ATOM 805 CA VAL A 222 -9.937 1.478 3.656 1.00 0.00 C ATOM 806 C VAL A 222 -10.286 2.741 2.867 1.00 0.00 C ATOM 807 O VAL A 222 -9.488 3.211 2.094 1.00 0.00 O ATOM 808 CB VAL A 222 -9.894 1.780 5.162 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.245 2.340 5.626 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.585 0.480 5.910 1.00 0.00 C ATOM 0 H VAL A 222 -7.958 1.796 2.954 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.688 0.706 3.486 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.123 2.522 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.204 2.551 6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.464 3.260 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -12.029 1.608 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.551 0.676 6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.363 -0.254 5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.621 0.091 5.581 1.00 0.00 H new ATOM 820 N GLN A 223 -11.460 3.288 3.029 1.00 0.00 N ATOM 821 CA GLN A 223 -11.825 4.519 2.259 1.00 0.00 C ATOM 822 C GLN A 223 -12.680 5.426 3.136 1.00 0.00 C ATOM 823 O GLN A 223 -13.333 4.978 4.057 1.00 0.00 O ATOM 824 CB GLN A 223 -12.616 4.126 0.999 1.00 0.00 C ATOM 825 CG GLN A 223 -13.082 5.385 0.249 1.00 0.00 C ATOM 826 CD GLN A 223 -11.872 6.266 -0.080 1.00 0.00 C ATOM 827 OE1 GLN A 223 -10.977 5.833 -0.766 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.798 7.483 0.386 1.00 0.00 N ATOM 0 H GLN A 223 -12.183 2.939 3.659 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.918 5.046 1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -11.993 3.515 0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.478 3.519 1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.599 5.103 -0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.794 5.941 0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.551 7.854 0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.987 8.063 0.170 1.00 0.00 H new ATOM 837 N ASN A 224 -12.677 6.708 2.865 1.00 0.00 N ATOM 838 CA ASN A 224 -13.492 7.642 3.692 1.00 0.00 C ATOM 839 C ASN A 224 -13.850 8.885 2.861 1.00 0.00 C ATOM 840 O ASN A 224 -12.982 9.618 2.412 1.00 0.00 O ATOM 841 CB ASN A 224 -12.684 8.085 4.922 1.00 0.00 C ATOM 842 CG ASN A 224 -11.851 6.916 5.445 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.185 6.306 6.441 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.772 6.574 4.796 1.00 0.00 N ATOM 0 H ASN A 224 -12.147 7.144 2.110 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.401 7.133 4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -12.032 8.918 4.659 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.358 8.441 5.702 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -10.206 5.792 5.125 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.495 7.089 3.960 1.00 0.00 H new ATOM 851 N VAL A 225 -15.123 9.135 2.682 1.00 0.00 N ATOM 852 CA VAL A 225 -15.578 10.343 1.923 1.00 0.00 C ATOM 853 C VAL A 225 -15.928 11.408 2.956 1.00 0.00 C ATOM 854 O VAL A 225 -16.539 11.118 3.966 1.00 0.00 O ATOM 855 CB VAL A 225 -16.827 10.014 1.101 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.499 8.975 0.027 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.904 9.463 2.034 1.00 0.00 C ATOM 0 H VAL A 225 -15.877 8.546 3.034 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.798 10.683 1.242 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.184 10.920 0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.397 8.751 -0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.730 9.369 -0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -16.136 8.063 0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.798 9.226 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.536 8.560 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -18.147 10.210 2.790 1.00 0.00 H new ATOM 867 N LYS A 226 -15.509 12.625 2.745 1.00 0.00 N ATOM 868 CA LYS A 226 -15.773 13.703 3.750 1.00 0.00 C ATOM 869 C LYS A 226 -16.443 14.915 3.089 1.00 0.00 C ATOM 870 O LYS A 226 -16.967 14.823 1.997 1.00 0.00 O ATOM 871 CB LYS A 226 -14.434 14.085 4.363 1.00 0.00 C ATOM 872 CG LYS A 226 -13.740 12.796 4.833 1.00 0.00 C ATOM 873 CD LYS A 226 -12.442 13.120 5.581 1.00 0.00 C ATOM 874 CE LYS A 226 -12.743 13.450 7.048 1.00 0.00 C ATOM 875 NZ LYS A 226 -11.462 13.667 7.774 1.00 0.00 N ATOM 0 H LYS A 226 -14.993 12.924 1.918 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.457 13.349 4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.815 14.606 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.579 14.767 5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -14.409 12.233 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -13.522 12.161 3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.760 12.272 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.941 13.964 5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -13.367 14.342 7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -13.303 12.636 7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -11.661 13.891 8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -10.883 12.804 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -10.945 14.457 7.338 1.00 0.00 H new ATOM 889 N GLY A 227 -16.452 16.038 3.773 1.00 0.00 N ATOM 890 CA GLY A 227 -17.105 17.281 3.242 1.00 0.00 C ATOM 891 C GLY A 227 -16.996 17.366 1.713 1.00 0.00 C ATOM 892 O GLY A 227 -17.958 17.142 1.008 1.00 0.00 O ATOM 0 H GLY A 227 -16.026 16.147 4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -18.155 17.294 3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -16.638 18.158 3.690 1.00 0.00 H new ATOM 896 N ILE A 228 -15.838 17.692 1.194 1.00 0.00 N ATOM 897 CA ILE A 228 -15.678 17.792 -0.292 1.00 0.00 C ATOM 898 C ILE A 228 -15.297 16.418 -0.845 1.00 0.00 C ATOM 899 O ILE A 228 -14.472 16.294 -1.729 1.00 0.00 O ATOM 900 CB ILE A 228 -14.589 18.824 -0.631 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.264 18.423 0.037 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.023 20.200 -0.127 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.143 19.431 -0.295 1.00 0.00 C ATOM 0 H ILE A 228 -14.996 17.893 1.734 1.00 0.00 H new ATOM 0 HA ILE A 228 -16.615 18.116 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 228 -14.446 18.859 -1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.400 18.369 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -12.972 17.427 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.253 20.934 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -15.958 20.485 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.167 20.163 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.218 19.120 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -11.992 19.464 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.426 20.421 0.063 1.00 0.00 H new ATOM 915 N HIS A 229 -15.900 15.381 -0.326 1.00 0.00 N ATOM 916 CA HIS A 229 -15.589 14.003 -0.806 1.00 0.00 C ATOM 917 C HIS A 229 -14.084 13.757 -0.745 1.00 0.00 C ATOM 918 O HIS A 229 -13.497 13.240 -1.675 1.00 0.00 O ATOM 919 CB HIS A 229 -16.062 13.832 -2.248 1.00 0.00 C ATOM 920 CG HIS A 229 -17.539 14.066 -2.307 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.466 13.059 -2.076 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.267 15.194 -2.566 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.691 13.601 -2.205 1.00 0.00 C ATOM 924 NE2 HIS A 229 -19.624 14.900 -2.502 1.00 0.00 N ATOM 0 H HIS A 229 -16.599 15.430 0.415 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.104 13.287 -0.165 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -15.543 14.534 -2.900 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -15.825 12.830 -2.606 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -17.851 16.166 -2.787 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.613 13.053 -2.083 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.403 15.541 -2.651 1.00 0.00 H new ATOM 932 N LYS A 230 -13.448 14.108 0.340 1.00 0.00 N ATOM 933 CA LYS A 230 -11.983 13.874 0.434 1.00 0.00 C ATOM 934 C LYS A 230 -11.716 12.373 0.415 1.00 0.00 C ATOM 935 O LYS A 230 -12.069 11.650 1.324 1.00 0.00 O ATOM 936 CB LYS A 230 -11.434 14.471 1.734 1.00 0.00 C ATOM 937 CG LYS A 230 -11.769 15.965 1.801 1.00 0.00 C ATOM 938 CD LYS A 230 -11.215 16.559 3.098 1.00 0.00 C ATOM 939 CE LYS A 230 -11.863 17.916 3.364 1.00 0.00 C ATOM 940 NZ LYS A 230 -11.344 18.456 4.646 1.00 0.00 N ATOM 0 H LYS A 230 -13.877 14.543 1.157 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.488 14.353 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.863 13.954 2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.354 14.328 1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.343 16.482 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.849 16.108 1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -11.410 15.883 3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -10.133 16.670 3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -11.643 18.605 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -12.947 17.813 3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -11.780 19.381 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -11.576 17.799 5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -10.312 18.567 4.584 1.00 0.00 H new ATOM 954 N ASN A 231 -11.100 11.900 -0.631 1.00 0.00 N ATOM 955 CA ASN A 231 -10.805 10.450 -0.738 1.00 0.00 C ATOM 956 C ASN A 231 -9.564 10.113 0.095 1.00 0.00 C ATOM 957 O ASN A 231 -8.476 10.548 -0.219 1.00 0.00 O ATOM 958 CB ASN A 231 -10.523 10.098 -2.209 1.00 0.00 C ATOM 959 CG ASN A 231 -11.589 10.712 -3.125 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.751 10.366 -3.047 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.234 11.615 -4.007 1.00 0.00 N ATOM 0 H ASN A 231 -10.787 12.463 -1.422 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.660 9.881 -0.372 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.537 10.464 -2.494 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.509 9.015 -2.333 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -11.933 12.026 -4.626 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.259 11.907 -4.074 1.00 0.00 H new ATOM 968 N THR A 232 -9.708 9.334 1.143 1.00 0.00 N ATOM 969 CA THR A 232 -8.517 8.954 1.980 1.00 0.00 C ATOM 970 C THR A 232 -8.460 7.433 2.141 1.00 0.00 C ATOM 971 O THR A 232 -9.445 6.800 2.479 1.00 0.00 O ATOM 972 CB THR A 232 -8.633 9.585 3.362 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.825 9.133 3.981 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.659 11.102 3.225 1.00 0.00 C ATOM 0 H THR A 232 -10.597 8.944 1.457 1.00 0.00 H new ATOM 0 HA THR A 232 -7.614 9.310 1.484 1.00 0.00 H new ATOM 0 HB THR A 232 -7.778 9.298 3.974 1.00 0.00 H new ATOM 0 HG1 THR A 232 -10.073 9.749 4.702 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.742 11.555 4.213 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.740 11.440 2.747 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.514 11.398 2.617 1.00 0.00 H new ATOM 982 N TRP A 233 -7.301 6.851 1.899 1.00 0.00 N ATOM 983 CA TRP A 233 -7.130 5.365 2.031 1.00 0.00 C ATOM 984 C TRP A 233 -6.193 5.051 3.205 1.00 0.00 C ATOM 985 O TRP A 233 -5.185 5.721 3.398 1.00 0.00 O ATOM 986 CB TRP A 233 -6.544 4.796 0.730 1.00 0.00 C ATOM 987 CG TRP A 233 -7.610 4.746 -0.319 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.939 5.767 -1.142 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.489 3.635 -0.667 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.968 5.357 -1.968 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.344 4.051 -1.714 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.633 2.323 -0.178 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.304 3.199 -2.257 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.599 1.461 -0.721 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.435 1.900 -1.757 1.00 0.00 C ATOM 0 H TRP A 233 -6.459 7.351 1.613 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.101 4.907 2.219 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.714 5.416 0.391 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.144 3.797 0.905 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.474 6.742 -1.152 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.399 5.947 -2.680 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.995 1.977 0.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.942 3.540 -3.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.698 0.456 -0.339 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -11.180 1.235 -2.169 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.533 4.041 4.000 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.688 3.673 5.194 1.00 0.00 C ATOM 1008 C GLU A 234 -5.476 2.151 5.264 1.00 0.00 C ATOM 1009 O GLU A 234 -6.396 1.382 5.082 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.407 4.098 6.492 1.00 0.00 C ATOM 1011 CG GLU A 234 -7.001 5.498 6.345 1.00 0.00 C ATOM 1012 CD GLU A 234 -5.956 6.419 5.740 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -4.830 6.341 6.174 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.294 7.161 4.836 1.00 0.00 O ATOM 0 H GLU A 234 -7.361 3.460 3.868 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.729 4.181 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.197 3.385 6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.705 4.081 7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -7.887 5.466 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.318 5.876 7.317 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.275 1.719 5.553 1.00 0.00 N ATOM 1022 CA LEU A 235 -4.006 0.252 5.665 1.00 0.00 C ATOM 1023 C LEU A 235 -4.725 -0.309 6.898 1.00 0.00 C ATOM 1024 O LEU A 235 -4.481 0.119 8.004 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.495 0.021 5.798 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.780 0.487 4.521 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.260 0.348 4.700 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -2.237 -0.358 3.317 1.00 0.00 C ATOM 0 H LEU A 235 -3.467 2.320 5.717 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.373 -0.256 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -2.110 0.565 6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.294 -1.036 5.973 1.00 0.00 H new ATOM 0 HG LEU A 235 -2.031 1.531 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.245 0.679 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.065 0.961 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -0.010 -0.695 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.723 -0.018 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.999 -1.406 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.313 -0.248 3.183 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.599 -1.268 6.716 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.322 -1.855 7.881 1.00 0.00 C ATOM 1042 C LYS A 236 -5.296 -2.415 8.878 1.00 0.00 C ATOM 1043 O LYS A 236 -4.644 -3.393 8.586 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.206 -3.022 7.409 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.395 -2.494 6.608 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.368 -3.642 6.306 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.686 -3.072 5.781 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.697 -4.163 5.670 1.00 0.00 N ATOM 0 H LYS A 236 -5.842 -1.668 5.810 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.934 -1.082 8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -6.620 -3.706 6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -7.561 -3.590 8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -8.905 -1.711 7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -8.048 -2.045 5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -8.933 -4.317 5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.547 -4.227 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -11.049 -2.293 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -10.530 -2.607 4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -12.592 -3.772 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -11.351 -4.892 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.854 -4.587 6.606 1.00 0.00 H new ATOM 1062 N PRO A 237 -5.154 -1.844 10.053 1.00 0.00 N ATOM 1063 CA PRO A 237 -4.193 -2.362 11.067 1.00 0.00 C ATOM 1064 C PRO A 237 -4.799 -3.550 11.795 1.00 0.00 C ATOM 1065 O PRO A 237 -4.212 -4.151 12.674 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.988 -1.178 12.016 1.00 0.00 C ATOM 1067 CG PRO A 237 -5.267 -0.392 11.947 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.892 -0.666 10.566 1.00 0.00 C ATOM 0 HA PRO A 237 -3.255 -2.712 10.636 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.789 -1.518 13.032 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -3.136 -0.571 11.710 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.947 -0.692 12.744 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -5.073 0.673 12.078 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.960 -0.871 10.647 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.781 0.192 9.903 1.00 0.00 H new ATOM 1076 N GLU A 238 -6.014 -3.834 11.460 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.762 -4.922 12.126 1.00 0.00 C ATOM 1078 C GLU A 238 -6.094 -6.299 11.984 1.00 0.00 C ATOM 1079 O GLU A 238 -5.940 -7.001 12.960 1.00 0.00 O ATOM 1080 CB GLU A 238 -8.156 -4.976 11.501 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.972 -3.755 11.936 1.00 0.00 C ATOM 1082 CD GLU A 238 -9.291 -3.861 13.431 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -9.546 -4.965 13.882 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -9.271 -2.840 14.097 1.00 0.00 O ATOM 0 H GLU A 238 -6.536 -3.345 10.733 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.794 -4.703 13.193 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -8.076 -5.002 10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.665 -5.891 11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.413 -2.841 11.736 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -9.895 -3.697 11.359 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.740 -6.720 10.789 1.00 0.00 N ATOM 1092 CA TYR A 239 -5.138 -8.094 10.624 1.00 0.00 C ATOM 1093 C TYR A 239 -3.841 -8.079 9.806 1.00 0.00 C ATOM 1094 O TYR A 239 -3.469 -9.084 9.233 1.00 0.00 O ATOM 1095 CB TYR A 239 -6.153 -8.995 9.918 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.396 -8.477 8.527 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -7.232 -7.374 8.328 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.773 -9.089 7.436 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.449 -6.883 7.035 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.985 -8.601 6.142 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.826 -7.494 5.938 1.00 0.00 C ATOM 1102 OH TYR A 239 -7.037 -7.009 4.662 1.00 0.00 O ATOM 0 H TYR A 239 -5.839 -6.182 9.928 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.895 -8.466 11.619 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.781 -10.019 9.877 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -7.088 -9.018 10.478 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.711 -6.900 9.172 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -5.127 -9.940 7.592 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -8.097 -6.033 6.883 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.502 -9.075 5.300 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.875 -6.501 4.640 1.00 0.00 H new ATOM 1112 N ARG A 240 -3.123 -6.990 9.743 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.852 -7.033 8.958 1.00 0.00 C ATOM 1114 C ARG A 240 -0.805 -7.824 9.739 1.00 0.00 C ATOM 1115 O ARG A 240 -0.134 -7.296 10.603 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.299 -5.623 8.693 1.00 0.00 C ATOM 1117 CG ARG A 240 -2.018 -4.979 7.509 1.00 0.00 C ATOM 1118 CD ARG A 240 -1.327 -3.652 7.176 1.00 0.00 C ATOM 1119 NE ARG A 240 -1.443 -2.720 8.340 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.663 -1.669 8.439 1.00 0.00 C ATOM 1121 NH1 ARG A 240 0.194 -1.383 7.492 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -0.741 -0.902 9.493 1.00 0.00 N ATOM 0 H ARG A 240 -3.349 -6.099 10.185 1.00 0.00 H new ATOM 0 HA ARG A 240 -2.068 -7.507 8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.424 -5.004 9.582 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -0.229 -5.678 8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -1.995 -5.644 6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -3.067 -4.808 7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -0.277 -3.826 6.940 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -1.782 -3.205 6.292 1.00 0.00 H new ATOM 0 HE ARG A 240 -2.136 -2.903 9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 240 0.260 -1.979 6.667 1.00 0.00 H new ATOM 0 HH12 ARG A 240 0.795 -0.564 7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -1.406 -1.121 10.235 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -0.137 -0.084 9.574 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.637 -9.075 9.416 1.00 0.00 N ATOM 1137 CA HIS A 241 0.403 -9.877 10.113 1.00 0.00 C ATOM 1138 C HIS A 241 1.749 -9.335 9.645 1.00 0.00 C ATOM 1139 O HIS A 241 2.712 -9.280 10.382 1.00 0.00 O ATOM 1140 CB HIS A 241 0.290 -11.354 9.718 1.00 0.00 C ATOM 1141 CG HIS A 241 -1.044 -11.904 10.149 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -1.252 -12.431 11.416 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -2.245 -12.023 9.492 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.533 -12.835 11.481 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -3.184 -12.608 10.335 1.00 0.00 N ATOM 0 H HIS A 241 -1.171 -9.574 8.704 1.00 0.00 H new ATOM 0 HA HIS A 241 0.288 -9.805 11.195 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.404 -11.460 8.639 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.095 -11.925 10.181 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -2.432 -11.710 8.475 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.982 -13.288 12.353 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -4.160 -12.819 10.124 1.00 0.00 H new ATOM 1153 N TYR A 242 1.796 -8.908 8.408 1.00 0.00 N ATOM 1154 CA TYR A 242 3.045 -8.333 7.840 1.00 0.00 C ATOM 1155 C TYR A 242 3.211 -6.910 8.374 1.00 0.00 C ATOM 1156 O TYR A 242 2.341 -6.071 8.222 1.00 0.00 O ATOM 1157 CB TYR A 242 2.938 -8.314 6.308 1.00 0.00 C ATOM 1158 CG TYR A 242 4.047 -7.471 5.712 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.301 -8.034 5.439 1.00 0.00 C ATOM 1160 CD2 TYR A 242 3.814 -6.119 5.434 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.320 -7.239 4.888 1.00 0.00 C ATOM 1162 CE2 TYR A 242 4.827 -5.326 4.885 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.083 -5.884 4.611 1.00 0.00 C ATOM 1164 OH TYR A 242 7.088 -5.098 4.075 1.00 0.00 O ATOM 0 H TYR A 242 1.008 -8.936 7.761 1.00 0.00 H new ATOM 0 HA TYR A 242 3.908 -8.933 8.127 1.00 0.00 H new ATOM 0 HB2 TYR A 242 2.997 -9.331 5.920 1.00 0.00 H new ATOM 0 HB3 TYR A 242 1.969 -7.915 6.010 1.00 0.00 H new ATOM 0 HD1 TYR A 242 5.484 -9.077 5.652 1.00 0.00 H new ATOM 0 HD2 TYR A 242 2.847 -5.686 5.644 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.287 -7.671 4.677 1.00 0.00 H new ATOM 0 HE2 TYR A 242 4.641 -4.284 4.672 1.00 0.00 H new ATOM 0 HH TYR A 242 6.784 -4.711 3.228 1.00 0.00 H new ATOM 1174 N GLN A 243 4.315 -6.640 9.013 1.00 0.00 N ATOM 1175 CA GLN A 243 4.547 -5.278 9.579 1.00 0.00 C ATOM 1176 C GLN A 243 6.049 -4.983 9.578 1.00 0.00 C ATOM 1177 O GLN A 243 6.482 -3.915 9.962 1.00 0.00 O ATOM 1178 CB GLN A 243 4.023 -5.233 11.018 1.00 0.00 C ATOM 1179 CG GLN A 243 2.493 -5.305 11.017 1.00 0.00 C ATOM 1180 CD GLN A 243 1.975 -5.119 12.446 1.00 0.00 C ATOM 1181 OE1 GLN A 243 2.673 -4.593 13.290 1.00 0.00 O ATOM 1182 NE2 GLN A 243 0.773 -5.529 12.757 1.00 0.00 N ATOM 0 H GLN A 243 5.071 -7.306 9.169 1.00 0.00 H new ATOM 0 HA GLN A 243 4.026 -4.534 8.976 1.00 0.00 H new ATOM 0 HB2 GLN A 243 4.435 -6.064 11.591 1.00 0.00 H new ATOM 0 HB3 GLN A 243 4.352 -4.316 11.506 1.00 0.00 H new ATOM 0 HG2 GLN A 243 2.082 -4.533 10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 243 2.163 -6.265 10.621 1.00 0.00 H new ATOM 0 HE21 GLN A 243 0.186 -5.971 12.050 1.00 0.00 H new ATOM 0 HE22 GLN A 243 0.422 -5.407 13.707 1.00 0.00 H new TER 1191 GLN A 243