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= -0.746! C(o=-0.8!,f=-1!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.0509 USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.17) USER MOD Single : A 182 HIS : no HD1:sc= -0.0365 X(o=-0.036,f=-0.18) USER MOD Single : A 186 MET CE :methyl -169:sc= -0.0215 (180deg=-0.0591) USER MOD Single : A 189 SER OG : rot -34:sc= 0.145 USER MOD Single : A 193 LYS NZ :NH3+ 125:sc= -0.043 (180deg=-0.34) USER MOD Single : A 194 HIS : no HD1:sc= -3.03! C(o=-3!,f=-2.4!) USER MOD Single : A 195 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.13) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 67:sc= 1.06 USER MOD Single : A 198 ASN : amide:sc= -3! C(o=-3!,f=-14!) USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot -60:sc= 0.802 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= -5.46! C(o=-5.5!,f=-8.4!) USER MOD Single : A 212 TYR OH : rot 54:sc= 1.15 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ -158:sc= -0.0431 (180deg=-0.522) USER MOD Single : A 223 GLN : amide:sc= -14.4! C(o=-14!,f=-1.5!) USER MOD Single : A 226 LYS NZ :NH3+ 150:sc= -0.105 (180deg=-0.715) USER MOD Single : A 229 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 230 LYS NZ :NH3+ 140:sc= -2.24 (180deg=-4.84!) USER MOD Single : A 231 ASN : amide:sc= -0.0775 X(o=-0.078,f=-0.078) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 239 TYR OH : rot -17:sc= -2.32! USER MOD Single : A 241 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.0047) USER MOD Single : A 242 TYR OH : rot 122:sc= 0.75 USER MOD Single : A 243 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 5.111 -13.336 -10.790 1.00 0.00 N ATOM 2 CA ARG A 175 3.690 -12.890 -10.776 1.00 0.00 C ATOM 3 C ARG A 175 3.653 -11.400 -10.450 1.00 0.00 C ATOM 4 O ARG A 175 4.589 -10.853 -9.899 1.00 0.00 O ATOM 5 CB ARG A 175 2.913 -13.693 -9.708 1.00 0.00 C ATOM 6 CG ARG A 175 1.419 -13.856 -10.098 1.00 0.00 C ATOM 7 CD ARG A 175 0.614 -12.562 -9.814 1.00 0.00 C ATOM 8 NE ARG A 175 -0.654 -12.908 -9.094 1.00 0.00 N ATOM 9 CZ ARG A 175 -1.457 -13.835 -9.542 1.00 0.00 C ATOM 10 NH1 ARG A 175 -1.218 -14.420 -10.682 1.00 0.00 N ATOM 11 NH2 ARG A 175 -2.520 -14.158 -8.858 1.00 0.00 N ATOM 0 HA ARG A 175 3.226 -13.061 -11.748 1.00 0.00 H new ATOM 0 HB2 ARG A 175 3.368 -14.676 -9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 175 2.986 -13.187 -8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 175 1.343 -14.108 -11.156 1.00 0.00 H new ATOM 0 HG3 ARG A 175 0.985 -14.686 -9.541 1.00 0.00 H new ATOM 0 HD2 ARG A 175 1.210 -11.875 -9.213 1.00 0.00 H new ATOM 0 HD3 ARG A 175 0.385 -12.051 -10.749 1.00 0.00 H new ATOM 0 HE ARG A 175 -0.894 -12.410 -8.237 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -0.400 -14.154 -11.230 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -1.849 -15.143 -11.026 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -2.722 -13.687 -7.976 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.149 -14.882 -9.205 1.00 0.00 H new ATOM 25 N ALA A 176 2.587 -10.737 -10.781 1.00 0.00 N ATOM 26 CA ALA A 176 2.507 -9.287 -10.480 1.00 0.00 C ATOM 27 C ALA A 176 2.542 -9.092 -8.967 1.00 0.00 C ATOM 28 O ALA A 176 2.499 -7.985 -8.471 1.00 0.00 O ATOM 29 CB ALA A 176 1.207 -8.718 -11.045 1.00 0.00 C ATOM 0 H ALA A 176 1.770 -11.134 -11.245 1.00 0.00 H new ATOM 0 HA ALA A 176 3.350 -8.767 -10.936 1.00 0.00 H new ATOM 0 HB1 ALA A 176 1.149 -7.652 -10.823 1.00 0.00 H new ATOM 0 HB2 ALA A 176 1.184 -8.866 -12.125 1.00 0.00 H new ATOM 0 HB3 ALA A 176 0.358 -9.229 -10.591 1.00 0.00 H new ATOM 35 N ARG A 177 2.627 -10.167 -8.225 1.00 0.00 N ATOM 36 CA ARG A 177 2.673 -10.040 -6.745 1.00 0.00 C ATOM 37 C ARG A 177 4.014 -9.437 -6.334 1.00 0.00 C ATOM 38 O ARG A 177 4.152 -8.898 -5.256 1.00 0.00 O ATOM 39 CB ARG A 177 2.506 -11.414 -6.089 1.00 0.00 C ATOM 40 CG ARG A 177 2.597 -11.269 -4.559 1.00 0.00 C ATOM 41 CD ARG A 177 1.949 -12.480 -3.888 1.00 0.00 C ATOM 42 NE ARG A 177 2.125 -12.392 -2.395 1.00 0.00 N ATOM 43 CZ ARG A 177 3.306 -12.417 -1.832 1.00 0.00 C ATOM 44 NH1 ARG A 177 4.383 -12.588 -2.552 1.00 0.00 N ATOM 45 NH2 ARG A 177 3.408 -12.291 -0.536 1.00 0.00 N ATOM 0 H ARG A 177 2.666 -11.122 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 177 1.860 -9.393 -6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.545 -11.847 -6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.278 -12.095 -6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.640 -11.186 -4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 177 2.098 -10.354 -4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 177 0.888 -12.520 -4.136 1.00 0.00 H new ATOM 0 HD3 ARG A 177 2.399 -13.399 -4.263 1.00 0.00 H new ATOM 0 HE ARG A 177 1.298 -12.310 -1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 177 4.308 -12.704 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 177 5.299 -12.606 -2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 177 2.569 -12.174 0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 177 4.326 -12.310 -0.092 1.00 0.00 H new ATOM 59 N ALA A 178 5.005 -9.494 -7.184 1.00 0.00 N ATOM 60 CA ALA A 178 6.305 -8.886 -6.803 1.00 0.00 C ATOM 61 C ALA A 178 6.050 -7.407 -6.555 1.00 0.00 C ATOM 62 O ALA A 178 6.510 -6.831 -5.590 1.00 0.00 O ATOM 63 CB ALA A 178 7.322 -9.049 -7.937 1.00 0.00 C ATOM 0 H ALA A 178 4.970 -9.927 -8.107 1.00 0.00 H new ATOM 0 HA ALA A 178 6.709 -9.372 -5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.270 -8.598 -7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.472 -10.109 -8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 178 6.949 -8.556 -8.834 1.00 0.00 H new ATOM 69 N ASP A 179 5.290 -6.799 -7.416 1.00 0.00 N ATOM 70 CA ASP A 179 4.960 -5.366 -7.237 1.00 0.00 C ATOM 71 C ASP A 179 4.156 -5.195 -5.948 1.00 0.00 C ATOM 72 O ASP A 179 4.346 -4.266 -5.206 1.00 0.00 O ATOM 73 CB ASP A 179 4.127 -4.891 -8.427 1.00 0.00 C ATOM 74 CG ASP A 179 5.014 -4.825 -9.669 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.146 -4.382 -9.540 1.00 0.00 O ATOM 76 OD2 ASP A 179 4.553 -5.216 -10.725 1.00 0.00 O ATOM 0 H ASP A 179 4.881 -7.237 -8.241 1.00 0.00 H new ATOM 0 HA ASP A 179 5.876 -4.778 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.293 -5.572 -8.597 1.00 0.00 H new ATOM 0 HB3 ASP A 179 3.700 -3.910 -8.218 1.00 0.00 H new ATOM 81 N LYS A 180 3.242 -6.086 -5.688 1.00 0.00 N ATOM 82 CA LYS A 180 2.408 -5.969 -4.456 1.00 0.00 C ATOM 83 C LYS A 180 3.296 -5.878 -3.207 1.00 0.00 C ATOM 84 O LYS A 180 3.162 -4.975 -2.407 1.00 0.00 O ATOM 85 CB LYS A 180 1.517 -7.209 -4.361 1.00 0.00 C ATOM 86 CG LYS A 180 0.567 -7.094 -3.164 1.00 0.00 C ATOM 87 CD LYS A 180 -0.427 -8.264 -3.175 1.00 0.00 C ATOM 88 CE LYS A 180 -1.298 -8.203 -1.916 1.00 0.00 C ATOM 89 NZ LYS A 180 -2.165 -9.415 -1.838 1.00 0.00 N ATOM 0 H LYS A 180 3.034 -6.893 -6.276 1.00 0.00 H new ATOM 0 HA LYS A 180 1.803 -5.064 -4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 180 0.942 -7.323 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.135 -8.101 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.136 -7.097 -2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.029 -6.147 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -1.053 -8.216 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 180 0.110 -9.212 -3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -0.667 -8.139 -1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -1.915 -7.305 -1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -2.753 -9.367 -0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -2.778 -9.458 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -1.569 -10.266 -1.801 1.00 0.00 H new ATOM 103 N GLN A 181 4.202 -6.803 -3.029 1.00 0.00 N ATOM 104 CA GLN A 181 5.085 -6.750 -1.827 1.00 0.00 C ATOM 105 C GLN A 181 5.949 -5.496 -1.894 1.00 0.00 C ATOM 106 O GLN A 181 6.132 -4.788 -0.923 1.00 0.00 O ATOM 107 CB GLN A 181 5.992 -7.985 -1.791 1.00 0.00 C ATOM 108 CG GLN A 181 6.714 -8.054 -0.443 1.00 0.00 C ATOM 109 CD GLN A 181 5.720 -8.457 0.646 1.00 0.00 C ATOM 110 OE1 GLN A 181 5.324 -9.603 0.722 1.00 0.00 O ATOM 111 NE2 GLN A 181 5.291 -7.563 1.495 1.00 0.00 N ATOM 0 H GLN A 181 4.368 -7.588 -3.659 1.00 0.00 H new ATOM 0 HA GLN A 181 4.468 -6.730 -0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.400 -8.888 -1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.719 -7.938 -2.602 1.00 0.00 H new ATOM 0 HG2 GLN A 181 7.529 -8.776 -0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.158 -7.087 -0.206 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.622 -6.600 1.433 1.00 0.00 H new ATOM 0 HE22 GLN A 181 4.625 -7.827 2.221 1.00 0.00 H new ATOM 120 N HIS A 182 6.482 -5.231 -3.045 1.00 0.00 N ATOM 121 CA HIS A 182 7.343 -4.047 -3.235 1.00 0.00 C ATOM 122 C HIS A 182 6.506 -2.775 -3.115 1.00 0.00 C ATOM 123 O HIS A 182 6.938 -1.773 -2.580 1.00 0.00 O ATOM 124 CB HIS A 182 7.960 -4.155 -4.622 1.00 0.00 C ATOM 125 CG HIS A 182 8.877 -3.001 -4.870 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.709 -2.491 -3.891 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.106 -2.256 -5.991 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.396 -1.474 -4.438 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.065 -1.287 -5.722 1.00 0.00 N ATOM 0 H HIS A 182 6.352 -5.801 -3.881 1.00 0.00 H new ATOM 0 HA HIS A 182 8.125 -4.004 -2.477 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.510 -5.092 -4.711 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.174 -4.173 -5.377 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.616 -2.398 -6.943 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.126 -0.880 -3.907 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.436 -0.586 -6.363 1.00 0.00 H new ATOM 137 N VAL A 183 5.306 -2.811 -3.616 1.00 0.00 N ATOM 138 CA VAL A 183 4.438 -1.614 -3.547 1.00 0.00 C ATOM 139 C VAL A 183 4.064 -1.345 -2.088 1.00 0.00 C ATOM 140 O VAL A 183 3.970 -0.210 -1.671 1.00 0.00 O ATOM 141 CB VAL A 183 3.178 -1.845 -4.393 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.174 -0.716 -4.118 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.547 -1.875 -5.902 1.00 0.00 C ATOM 0 H VAL A 183 4.890 -3.623 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 183 4.968 -0.747 -3.941 1.00 0.00 H new ATOM 0 HB VAL A 183 2.731 -2.803 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.276 -0.874 -4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.910 -0.714 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.622 0.242 -4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.646 -2.039 -6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 183 3.999 -0.924 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.255 -2.683 -6.087 1.00 0.00 H new ATOM 153 N LEU A 184 3.863 -2.363 -1.295 1.00 0.00 N ATOM 154 CA LEU A 184 3.518 -2.095 0.127 1.00 0.00 C ATOM 155 C LEU A 184 4.638 -1.276 0.744 1.00 0.00 C ATOM 156 O LEU A 184 4.404 -0.337 1.479 1.00 0.00 O ATOM 157 CB LEU A 184 3.373 -3.408 0.910 1.00 0.00 C ATOM 158 CG LEU A 184 2.003 -4.035 0.632 1.00 0.00 C ATOM 159 CD1 LEU A 184 2.019 -5.493 1.113 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.885 -3.241 1.368 1.00 0.00 C ATOM 0 H LEU A 184 3.921 -3.345 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 184 2.570 -1.558 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.164 -4.101 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.486 -3.219 1.978 1.00 0.00 H new ATOM 0 HG LEU A 184 1.797 -4.002 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 184 1.049 -5.950 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.792 -6.044 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 184 2.227 -5.521 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.083 -3.698 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 184 1.073 -3.259 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.881 -2.209 1.018 1.00 0.00 H new ATOM 172 N ASP A 185 5.861 -1.610 0.446 1.00 0.00 N ATOM 173 CA ASP A 185 6.986 -0.830 1.023 1.00 0.00 C ATOM 174 C ASP A 185 6.739 0.650 0.721 1.00 0.00 C ATOM 175 O ASP A 185 6.892 1.504 1.571 1.00 0.00 O ATOM 176 CB ASP A 185 8.307 -1.281 0.389 1.00 0.00 C ATOM 177 CG ASP A 185 8.608 -2.732 0.784 1.00 0.00 C ATOM 178 OD1 ASP A 185 8.014 -3.205 1.741 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.434 -3.345 0.124 1.00 0.00 O ATOM 0 H ASP A 185 6.128 -2.381 -0.166 1.00 0.00 H new ATOM 0 HA ASP A 185 7.047 -0.989 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.247 -1.195 -0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 185 9.118 -0.630 0.716 1.00 0.00 H new ATOM 184 N MET A 186 6.325 0.952 -0.482 1.00 0.00 N ATOM 185 CA MET A 186 6.033 2.369 -0.835 1.00 0.00 C ATOM 186 C MET A 186 4.870 2.877 0.024 1.00 0.00 C ATOM 187 O MET A 186 4.884 3.994 0.505 1.00 0.00 O ATOM 188 CB MET A 186 5.636 2.464 -2.313 1.00 0.00 C ATOM 189 CG MET A 186 6.814 2.066 -3.208 1.00 0.00 C ATOM 190 SD MET A 186 8.159 3.266 -3.014 1.00 0.00 S ATOM 191 CE MET A 186 9.304 2.212 -2.092 1.00 0.00 C ATOM 0 H MET A 186 6.177 0.278 -1.233 1.00 0.00 H new ATOM 0 HA MET A 186 6.922 2.973 -0.655 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.785 1.813 -2.510 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.320 3.481 -2.547 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.163 1.068 -2.944 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.495 2.027 -4.250 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.121 2.818 -1.701 1.00 0.00 H new ATOM 0 HE2 MET A 186 8.776 1.737 -1.265 1.00 0.00 H new ATOM 0 HE3 MET A 186 9.706 1.445 -2.754 1.00 0.00 H new ATOM 201 N LEU A 187 3.857 2.072 0.217 1.00 0.00 N ATOM 202 CA LEU A 187 2.698 2.528 1.039 1.00 0.00 C ATOM 203 C LEU A 187 3.165 2.778 2.468 1.00 0.00 C ATOM 204 O LEU A 187 2.884 3.805 3.048 1.00 0.00 O ATOM 205 CB LEU A 187 1.607 1.448 1.067 1.00 0.00 C ATOM 206 CG LEU A 187 1.085 1.156 -0.345 1.00 0.00 C ATOM 207 CD1 LEU A 187 -0.065 0.148 -0.249 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.581 2.449 -1.006 1.00 0.00 C ATOM 0 H LEU A 187 3.783 1.126 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 187 2.295 3.441 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 187 2.006 0.534 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.784 1.774 1.702 1.00 0.00 H new ATOM 0 HG LEU A 187 1.893 0.747 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.444 -0.067 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.296 -0.773 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.866 0.566 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.214 2.226 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -0.227 2.872 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.398 3.167 -1.071 1.00 0.00 H new ATOM 220 N PHE A 188 3.889 1.853 3.040 1.00 0.00 N ATOM 221 CA PHE A 188 4.361 2.068 4.433 1.00 0.00 C ATOM 222 C PHE A 188 5.210 3.332 4.484 1.00 0.00 C ATOM 223 O PHE A 188 5.080 4.132 5.387 1.00 0.00 O ATOM 224 CB PHE A 188 5.174 0.856 4.921 1.00 0.00 C ATOM 225 CG PHE A 188 4.232 -0.252 5.353 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.623 -0.185 6.614 1.00 0.00 C ATOM 227 CD2 PHE A 188 3.958 -1.334 4.506 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.748 -1.198 7.027 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.081 -2.345 4.920 1.00 0.00 C ATOM 230 CZ PHE A 188 2.477 -2.276 6.179 1.00 0.00 C ATOM 0 H PHE A 188 4.169 0.972 2.609 1.00 0.00 H new ATOM 0 HA PHE A 188 3.500 2.183 5.091 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.828 0.500 4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.814 1.147 5.754 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.829 0.649 7.268 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.423 -1.389 3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.283 -1.146 8.000 1.00 0.00 H new ATOM 0 HE2 PHE A 188 2.871 -3.178 4.266 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.801 -3.056 6.497 1.00 0.00 H new ATOM 240 N SER A 189 6.064 3.538 3.521 1.00 0.00 N ATOM 241 CA SER A 189 6.898 4.775 3.538 1.00 0.00 C ATOM 242 C SER A 189 5.975 5.989 3.464 1.00 0.00 C ATOM 243 O SER A 189 6.134 6.957 4.185 1.00 0.00 O ATOM 244 CB SER A 189 7.840 4.782 2.332 1.00 0.00 C ATOM 245 OG SER A 189 7.070 4.805 1.141 1.00 0.00 O ATOM 0 H SER A 189 6.221 2.912 2.731 1.00 0.00 H new ATOM 0 HA SER A 189 7.489 4.807 4.453 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.496 5.652 2.372 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.479 3.899 2.349 1.00 0.00 H new ATOM 0 HG SER A 189 6.248 4.288 1.273 1.00 0.00 H new ATOM 251 N ALA A 190 4.994 5.932 2.608 1.00 0.00 N ATOM 252 CA ALA A 190 4.042 7.067 2.494 1.00 0.00 C ATOM 253 C ALA A 190 3.248 7.157 3.795 1.00 0.00 C ATOM 254 O ALA A 190 3.135 8.205 4.396 1.00 0.00 O ATOM 255 CB ALA A 190 3.104 6.825 1.303 1.00 0.00 C ATOM 0 H ALA A 190 4.811 5.147 1.983 1.00 0.00 H new ATOM 0 HA ALA A 190 4.574 8.004 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.404 7.656 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.691 6.748 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.550 5.899 1.458 1.00 0.00 H new ATOM 261 N PHE A 191 2.724 6.048 4.246 1.00 0.00 N ATOM 262 CA PHE A 191 1.953 6.049 5.519 1.00 0.00 C ATOM 263 C PHE A 191 2.888 6.355 6.690 1.00 0.00 C ATOM 264 O PHE A 191 2.456 6.775 7.746 1.00 0.00 O ATOM 265 CB PHE A 191 1.257 4.690 5.706 1.00 0.00 C ATOM 266 CG PHE A 191 -0.010 4.673 4.876 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.064 5.516 5.234 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.127 3.840 3.759 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.240 5.529 4.480 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.306 3.853 2.998 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.363 4.699 3.362 1.00 0.00 C ATOM 0 H PHE A 191 2.798 5.141 3.785 1.00 0.00 H new ATOM 0 HA PHE A 191 1.187 6.823 5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.920 3.881 5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 191 1.022 4.528 6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -0.970 6.160 6.096 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.688 3.188 3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.054 6.180 4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.399 3.212 2.133 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.272 4.709 2.779 1.00 0.00 H new ATOM 281 N GLU A 192 4.166 6.172 6.512 1.00 0.00 N ATOM 282 CA GLU A 192 5.116 6.481 7.619 1.00 0.00 C ATOM 283 C GLU A 192 5.141 7.993 7.857 1.00 0.00 C ATOM 284 O GLU A 192 5.331 8.451 8.964 1.00 0.00 O ATOM 285 CB GLU A 192 6.529 6.022 7.237 1.00 0.00 C ATOM 286 CG GLU A 192 7.489 6.248 8.414 1.00 0.00 C ATOM 287 CD GLU A 192 7.095 5.349 9.588 1.00 0.00 C ATOM 288 OE1 GLU A 192 6.387 4.382 9.360 1.00 0.00 O ATOM 289 OE2 GLU A 192 7.511 5.642 10.698 1.00 0.00 O ATOM 0 H GLU A 192 4.593 5.824 5.654 1.00 0.00 H new ATOM 0 HA GLU A 192 4.792 5.962 8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.517 4.967 6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.876 6.573 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 192 8.512 6.032 8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 192 7.462 7.294 8.721 1.00 0.00 H new ATOM 296 N LYS A 193 4.981 8.776 6.820 1.00 0.00 N ATOM 297 CA LYS A 193 5.029 10.261 6.989 1.00 0.00 C ATOM 298 C LYS A 193 3.634 10.824 7.284 1.00 0.00 C ATOM 299 O LYS A 193 3.500 11.927 7.775 1.00 0.00 O ATOM 300 CB LYS A 193 5.583 10.877 5.698 1.00 0.00 C ATOM 301 CG LYS A 193 7.074 10.466 5.512 1.00 0.00 C ATOM 302 CD LYS A 193 7.348 10.017 4.064 1.00 0.00 C ATOM 303 CE LYS A 193 7.192 11.196 3.101 1.00 0.00 C ATOM 304 NZ LYS A 193 8.260 12.210 3.352 1.00 0.00 N ATOM 0 H LYS A 193 4.820 8.453 5.866 1.00 0.00 H new ATOM 0 HA LYS A 193 5.672 10.509 7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.995 10.542 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.498 11.963 5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 193 7.721 11.307 5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 193 7.320 9.657 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 193 8.355 9.608 3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 193 6.658 9.219 3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 193 7.249 10.844 2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 193 6.210 11.652 3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 8.776 12.397 2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 7.828 13.092 3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 8.921 11.848 4.069 1.00 0.00 H new ATOM 318 N HIS A 194 2.590 10.084 7.011 1.00 0.00 N ATOM 319 CA HIS A 194 1.225 10.612 7.313 1.00 0.00 C ATOM 320 C HIS A 194 0.224 9.465 7.452 1.00 0.00 C ATOM 321 O HIS A 194 0.326 8.440 6.822 1.00 0.00 O ATOM 322 CB HIS A 194 0.779 11.585 6.211 1.00 0.00 C ATOM 323 CG HIS A 194 1.426 12.921 6.435 1.00 0.00 C ATOM 324 ND1 HIS A 194 2.166 13.566 5.458 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.449 13.744 7.528 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.597 14.730 5.980 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.187 14.887 7.240 1.00 0.00 N ATOM 0 H HIS A 194 2.621 9.152 6.599 1.00 0.00 H new ATOM 0 HA HIS A 194 1.261 11.150 8.260 1.00 0.00 H new ATOM 0 HB2 HIS A 194 1.055 11.194 5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.306 11.688 6.219 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.967 13.537 8.472 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.200 15.448 5.445 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.375 15.676 7.859 1.00 0.00 H new ATOM 335 N GLN A 195 -0.734 9.639 8.303 1.00 0.00 N ATOM 336 CA GLN A 195 -1.752 8.583 8.529 1.00 0.00 C ATOM 337 C GLN A 195 -2.692 8.432 7.319 1.00 0.00 C ATOM 338 O GLN A 195 -3.275 7.383 7.121 1.00 0.00 O ATOM 339 CB GLN A 195 -2.558 8.950 9.777 1.00 0.00 C ATOM 340 CG GLN A 195 -3.517 7.814 10.147 1.00 0.00 C ATOM 341 CD GLN A 195 -2.730 6.574 10.578 1.00 0.00 C ATOM 342 OE1 GLN A 195 -2.275 6.488 11.702 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.554 5.601 9.725 1.00 0.00 N ATOM 0 H GLN A 195 -0.860 10.482 8.863 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.246 7.627 8.666 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -1.882 9.149 10.609 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.121 9.866 9.598 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.176 8.134 10.954 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.152 7.572 9.294 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.936 5.674 8.782 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -2.034 4.768 10.002 1.00 0.00 H new ATOM 352 N TYR A 196 -2.900 9.477 6.541 1.00 0.00 N ATOM 353 CA TYR A 196 -3.873 9.382 5.391 1.00 0.00 C ATOM 354 C TYR A 196 -3.254 9.737 4.037 1.00 0.00 C ATOM 355 O TYR A 196 -2.393 10.586 3.920 1.00 0.00 O ATOM 356 CB TYR A 196 -5.008 10.367 5.640 1.00 0.00 C ATOM 357 CG TYR A 196 -5.773 9.980 6.879 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.829 9.064 6.791 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.444 10.553 8.113 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.552 8.720 7.937 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.169 10.210 9.259 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.224 9.295 9.170 1.00 0.00 C ATOM 363 OH TYR A 196 -7.940 8.960 10.300 1.00 0.00 O ATOM 0 H TYR A 196 -2.444 10.383 6.650 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.208 8.346 5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.607 11.374 5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.679 10.385 4.781 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.085 8.624 5.838 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.630 11.260 8.180 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.364 8.011 7.871 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -5.915 10.651 10.212 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.582 9.448 11.071 1.00 0.00 H new ATOM 373 N TYR A 197 -3.753 9.100 3.002 1.00 0.00 N ATOM 374 CA TYR A 197 -3.283 9.381 1.610 1.00 0.00 C ATOM 375 C TYR A 197 -4.433 9.127 0.615 1.00 0.00 C ATOM 376 O TYR A 197 -5.079 8.098 0.658 1.00 0.00 O ATOM 377 CB TYR A 197 -2.108 8.461 1.261 1.00 0.00 C ATOM 378 CG TYR A 197 -0.826 8.999 1.841 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.480 8.717 3.162 1.00 0.00 C ATOM 380 CD2 TYR A 197 0.030 9.769 1.041 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.721 9.198 3.683 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.232 10.255 1.566 1.00 0.00 C ATOM 383 CZ TYR A 197 1.578 9.967 2.889 1.00 0.00 C ATOM 384 OH TYR A 197 2.768 10.436 3.410 1.00 0.00 O ATOM 0 H TYR A 197 -4.478 8.386 3.067 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.963 10.421 1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.296 7.459 1.647 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.016 8.374 0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.141 8.127 3.780 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.239 9.987 0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.991 8.976 4.705 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.890 10.851 0.951 1.00 0.00 H new ATOM 0 HH TYR A 197 3.369 9.682 3.584 1.00 0.00 H new ATOM 394 N ASN A 198 -4.674 10.039 -0.300 1.00 0.00 N ATOM 395 CA ASN A 198 -5.759 9.815 -1.310 1.00 0.00 C ATOM 396 C ASN A 198 -5.154 9.121 -2.534 1.00 0.00 C ATOM 397 O ASN A 198 -3.953 9.101 -2.713 1.00 0.00 O ATOM 398 CB ASN A 198 -6.411 11.146 -1.714 1.00 0.00 C ATOM 399 CG ASN A 198 -5.466 11.993 -2.561 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.265 11.824 -2.516 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.977 12.909 -3.340 1.00 0.00 N ATOM 0 H ASN A 198 -4.171 10.921 -0.390 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.536 9.186 -0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.326 10.950 -2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.696 11.700 -0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.366 13.488 -3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.987 13.045 -3.372 1.00 0.00 H new ATOM 408 N LEU A 199 -5.966 8.535 -3.371 1.00 0.00 N ATOM 409 CA LEU A 199 -5.413 7.828 -4.563 1.00 0.00 C ATOM 410 C LEU A 199 -4.506 8.774 -5.364 1.00 0.00 C ATOM 411 O LEU A 199 -3.469 8.372 -5.851 1.00 0.00 O ATOM 412 CB LEU A 199 -6.563 7.353 -5.462 1.00 0.00 C ATOM 413 CG LEU A 199 -7.419 6.297 -4.740 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.631 5.954 -5.616 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.598 5.017 -4.489 1.00 0.00 C ATOM 0 H LEU A 199 -6.982 8.514 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 199 -4.831 6.971 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.186 8.202 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.161 6.933 -6.384 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.746 6.699 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.244 5.206 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.223 6.853 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.289 5.558 -6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.219 4.281 -3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.261 4.608 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.733 5.255 -3.870 1.00 0.00 H new ATOM 427 N LYS A 200 -4.885 10.018 -5.516 1.00 0.00 N ATOM 428 CA LYS A 200 -4.039 10.967 -6.307 1.00 0.00 C ATOM 429 C LYS A 200 -2.641 11.074 -5.697 1.00 0.00 C ATOM 430 O LYS A 200 -1.650 11.121 -6.396 1.00 0.00 O ATOM 431 CB LYS A 200 -4.681 12.361 -6.320 1.00 0.00 C ATOM 432 CG LYS A 200 -3.949 13.277 -7.326 1.00 0.00 C ATOM 433 CD LYS A 200 -4.550 13.108 -8.725 1.00 0.00 C ATOM 434 CE LYS A 200 -3.742 13.931 -9.726 1.00 0.00 C ATOM 435 NZ LYS A 200 -4.341 13.782 -11.080 1.00 0.00 N ATOM 0 H LYS A 200 -5.740 10.418 -5.129 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.963 10.585 -7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.734 12.282 -6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.639 12.798 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -4.031 14.317 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -2.887 13.033 -7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -4.542 12.056 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -5.591 13.432 -8.727 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -3.736 14.980 -9.431 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -2.704 13.597 -9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -3.794 14.341 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -4.324 12.780 -11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -5.324 14.121 -11.064 1.00 0.00 H new ATOM 449 N ASP A 201 -2.544 11.138 -4.407 1.00 0.00 N ATOM 450 CA ASP A 201 -1.199 11.254 -3.789 1.00 0.00 C ATOM 451 C ASP A 201 -0.421 9.954 -3.989 1.00 0.00 C ATOM 452 O ASP A 201 0.753 9.967 -4.288 1.00 0.00 O ATOM 453 CB ASP A 201 -1.343 11.546 -2.296 1.00 0.00 C ATOM 454 CG ASP A 201 -1.837 12.981 -2.098 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.654 13.780 -3.002 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.388 13.256 -1.044 1.00 0.00 O ATOM 0 H ASP A 201 -3.329 11.116 -3.755 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.656 12.070 -4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.044 10.844 -1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.385 11.408 -1.794 1.00 0.00 H new ATOM 461 N LEU A 202 -1.067 8.832 -3.819 1.00 0.00 N ATOM 462 CA LEU A 202 -0.368 7.521 -3.983 1.00 0.00 C ATOM 463 C LEU A 202 0.191 7.364 -5.408 1.00 0.00 C ATOM 464 O LEU A 202 1.273 6.845 -5.593 1.00 0.00 O ATOM 465 CB LEU A 202 -1.349 6.374 -3.692 1.00 0.00 C ATOM 466 CG LEU A 202 -1.667 6.293 -2.183 1.00 0.00 C ATOM 467 CD1 LEU A 202 -2.775 5.251 -1.950 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.409 5.881 -1.380 1.00 0.00 C ATOM 0 H LEU A 202 -2.054 8.765 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 202 0.464 7.489 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.270 6.526 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -0.922 5.430 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 202 -1.996 7.275 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.001 5.192 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.672 5.545 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.438 4.277 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -0.655 5.830 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.064 4.905 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.379 6.618 -1.535 1.00 0.00 H new ATOM 480 N VAL A 203 -0.524 7.786 -6.425 1.00 0.00 N ATOM 481 CA VAL A 203 0.018 7.616 -7.810 1.00 0.00 C ATOM 482 C VAL A 203 1.284 8.446 -7.990 1.00 0.00 C ATOM 483 O VAL A 203 2.235 8.007 -8.603 1.00 0.00 O ATOM 484 CB VAL A 203 -1.009 8.021 -8.865 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.114 6.974 -8.945 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.628 9.354 -8.491 1.00 0.00 C ATOM 0 H VAL A 203 -1.439 8.231 -6.359 1.00 0.00 H new ATOM 0 HA VAL A 203 0.252 6.560 -7.943 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.507 8.101 -9.829 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.842 7.271 -9.700 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.683 6.010 -9.216 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.608 6.892 -7.977 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.360 9.640 -9.246 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.120 9.268 -7.522 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.849 10.114 -8.435 1.00 0.00 H new ATOM 496 N ASP A 204 1.317 9.639 -7.468 1.00 0.00 N ATOM 497 CA ASP A 204 2.545 10.454 -7.633 1.00 0.00 C ATOM 498 C ASP A 204 3.695 9.665 -7.011 1.00 0.00 C ATOM 499 O ASP A 204 4.787 9.607 -7.541 1.00 0.00 O ATOM 500 CB ASP A 204 2.378 11.796 -6.912 1.00 0.00 C ATOM 501 CG ASP A 204 3.500 12.750 -7.330 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.398 12.310 -8.029 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.437 13.907 -6.951 1.00 0.00 O ATOM 0 H ASP A 204 0.560 10.077 -6.943 1.00 0.00 H new ATOM 0 HA ASP A 204 2.741 10.657 -8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.408 12.231 -7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.399 11.645 -5.833 1.00 0.00 H new ATOM 508 N ILE A 205 3.440 9.036 -5.896 1.00 0.00 N ATOM 509 CA ILE A 205 4.491 8.218 -5.230 1.00 0.00 C ATOM 510 C ILE A 205 4.762 6.971 -6.075 1.00 0.00 C ATOM 511 O ILE A 205 5.830 6.397 -6.031 1.00 0.00 O ATOM 512 CB ILE A 205 4.017 7.812 -3.835 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.699 9.081 -3.044 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.126 7.023 -3.128 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.244 8.728 -1.626 1.00 0.00 C ATOM 0 H ILE A 205 2.541 9.055 -5.415 1.00 0.00 H new ATOM 0 HA ILE A 205 5.408 8.799 -5.135 1.00 0.00 H new ATOM 0 HB ILE A 205 3.128 7.186 -3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.581 9.720 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.919 9.648 -3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.789 6.733 -2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.362 6.129 -3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.017 7.645 -3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 205 3.022 9.643 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.349 8.108 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.037 8.182 -1.115 1.00 0.00 H new ATOM 527 N THR A 206 3.785 6.543 -6.835 1.00 0.00 N ATOM 528 CA THR A 206 3.956 5.324 -7.680 1.00 0.00 C ATOM 529 C THR A 206 3.224 5.515 -9.014 1.00 0.00 C ATOM 530 O THR A 206 2.025 5.673 -9.062 1.00 0.00 O ATOM 531 CB THR A 206 3.363 4.125 -6.938 1.00 0.00 C ATOM 532 OG1 THR A 206 2.039 4.437 -6.530 1.00 0.00 O ATOM 533 CG2 THR A 206 4.220 3.801 -5.711 1.00 0.00 C ATOM 0 H THR A 206 2.871 6.990 -6.906 1.00 0.00 H new ATOM 0 HA THR A 206 5.015 5.154 -7.876 1.00 0.00 H new ATOM 0 HB THR A 206 3.347 3.258 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 206 2.055 5.214 -5.933 1.00 0.00 H new ATOM 0 HG21 THR A 206 3.794 2.946 -5.185 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.235 3.563 -6.029 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.242 4.663 -5.044 1.00 0.00 H new ATOM 541 N LYS A 207 3.944 5.501 -10.095 1.00 0.00 N ATOM 542 CA LYS A 207 3.310 5.687 -11.434 1.00 0.00 C ATOM 543 C LYS A 207 2.647 4.392 -11.892 1.00 0.00 C ATOM 544 O LYS A 207 2.447 4.170 -13.071 1.00 0.00 O ATOM 545 CB LYS A 207 4.370 6.104 -12.454 1.00 0.00 C ATOM 546 CG LYS A 207 4.930 7.472 -12.065 1.00 0.00 C ATOM 547 CD LYS A 207 5.938 7.941 -13.123 1.00 0.00 C ATOM 548 CE LYS A 207 5.209 8.432 -14.385 1.00 0.00 C ATOM 549 NZ LYS A 207 6.091 9.382 -15.118 1.00 0.00 N ATOM 0 H LYS A 207 4.955 5.368 -10.114 1.00 0.00 H new ATOM 0 HA LYS A 207 2.551 6.466 -11.356 1.00 0.00 H new ATOM 0 HB2 LYS A 207 5.171 5.366 -12.487 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.935 6.146 -13.452 1.00 0.00 H new ATOM 0 HG2 LYS A 207 4.119 8.195 -11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.413 7.413 -11.090 1.00 0.00 H new ATOM 0 HD2 LYS A 207 6.553 8.744 -12.716 1.00 0.00 H new ATOM 0 HD3 LYS A 207 6.611 7.123 -13.380 1.00 0.00 H new ATOM 0 HE2 LYS A 207 4.953 7.587 -15.024 1.00 0.00 H new ATOM 0 HE3 LYS A 207 4.274 8.921 -14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 5.604 9.718 -15.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 6.314 10.192 -14.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 6.972 8.900 -15.388 1.00 0.00 H new ATOM 563 N GLN A 208 2.294 3.539 -10.975 1.00 0.00 N ATOM 564 CA GLN A 208 1.630 2.268 -11.365 1.00 0.00 C ATOM 565 C GLN A 208 0.134 2.555 -11.561 1.00 0.00 C ATOM 566 O GLN A 208 -0.400 3.469 -10.963 1.00 0.00 O ATOM 567 CB GLN A 208 1.829 1.233 -10.248 1.00 0.00 C ATOM 568 CG GLN A 208 3.273 0.711 -10.275 1.00 0.00 C ATOM 569 CD GLN A 208 4.257 1.848 -9.974 1.00 0.00 C ATOM 570 OE1 GLN A 208 4.509 2.686 -10.815 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.840 1.903 -8.808 1.00 0.00 N ATOM 0 H GLN A 208 2.436 3.667 -9.973 1.00 0.00 H new ATOM 0 HA GLN A 208 2.056 1.874 -12.288 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.613 1.684 -9.279 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.131 0.406 -10.377 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.392 -0.086 -9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.493 0.280 -11.252 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.630 1.200 -8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 208 5.506 2.649 -8.605 1.00 0.00 H new ATOM 580 N PRO A 209 -0.540 1.806 -12.401 1.00 0.00 N ATOM 581 CA PRO A 209 -1.995 2.019 -12.668 1.00 0.00 C ATOM 582 C PRO A 209 -2.835 1.986 -11.379 1.00 0.00 C ATOM 583 O PRO A 209 -2.664 1.137 -10.526 1.00 0.00 O ATOM 584 CB PRO A 209 -2.379 0.868 -13.626 1.00 0.00 C ATOM 585 CG PRO A 209 -1.250 -0.114 -13.552 1.00 0.00 C ATOM 586 CD PRO A 209 -0.004 0.686 -13.187 1.00 0.00 C ATOM 0 HA PRO A 209 -2.189 3.002 -13.097 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -3.320 0.406 -13.326 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -2.514 1.234 -14.644 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.451 -0.881 -12.804 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.117 -0.625 -14.505 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.702 0.090 -12.608 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.525 1.034 -14.074 1.00 0.00 H new ATOM 594 N VAL A 210 -3.740 2.920 -11.250 1.00 0.00 N ATOM 595 CA VAL A 210 -4.609 2.995 -10.042 1.00 0.00 C ATOM 596 C VAL A 210 -5.363 1.685 -9.844 1.00 0.00 C ATOM 597 O VAL A 210 -5.403 1.136 -8.759 1.00 0.00 O ATOM 598 CB VAL A 210 -5.611 4.142 -10.228 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.848 5.461 -10.335 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.439 3.920 -11.505 1.00 0.00 C ATOM 0 H VAL A 210 -3.915 3.646 -11.944 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.990 3.173 -9.163 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.286 4.173 -9.372 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.555 6.280 -10.467 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.271 5.623 -9.424 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.173 5.422 -11.190 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.147 4.740 -11.627 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.774 3.883 -12.368 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -6.984 2.979 -11.426 1.00 0.00 H new ATOM 610 N VAL A 211 -5.964 1.180 -10.878 1.00 0.00 N ATOM 611 CA VAL A 211 -6.724 -0.090 -10.740 1.00 0.00 C ATOM 612 C VAL A 211 -5.838 -1.144 -10.084 1.00 0.00 C ATOM 613 O VAL A 211 -6.305 -1.965 -9.324 1.00 0.00 O ATOM 614 CB VAL A 211 -7.185 -0.561 -12.123 1.00 0.00 C ATOM 615 CG1 VAL A 211 -5.993 -0.600 -13.077 1.00 0.00 C ATOM 616 CG2 VAL A 211 -7.804 -1.958 -12.019 1.00 0.00 C ATOM 0 H VAL A 211 -5.963 1.589 -11.812 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.601 0.070 -10.113 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.932 0.135 -12.505 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -6.324 -0.935 -14.060 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -5.561 0.397 -13.161 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -5.242 -1.290 -12.693 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -8.129 -2.286 -13.006 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -7.063 -2.656 -11.630 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -8.661 -1.927 -11.346 1.00 0.00 H new ATOM 626 N TYR A 212 -4.561 -1.122 -10.343 1.00 0.00 N ATOM 627 CA TYR A 212 -3.683 -2.131 -9.690 1.00 0.00 C ATOM 628 C TYR A 212 -3.501 -1.751 -8.218 1.00 0.00 C ATOM 629 O TYR A 212 -3.593 -2.581 -7.333 1.00 0.00 O ATOM 630 CB TYR A 212 -2.323 -2.184 -10.388 1.00 0.00 C ATOM 631 CG TYR A 212 -1.464 -3.216 -9.700 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.677 -4.576 -9.953 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.468 -2.818 -8.802 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.893 -5.541 -9.308 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.318 -3.782 -8.158 1.00 0.00 C ATOM 636 CZ TYR A 212 0.104 -5.143 -8.409 1.00 0.00 C ATOM 637 OH TYR A 212 0.879 -6.091 -7.773 1.00 0.00 O ATOM 0 H TYR A 212 -4.094 -0.463 -10.966 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.145 -3.116 -9.763 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.448 -2.438 -11.440 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.841 -1.207 -10.351 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.447 -4.882 -10.646 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.305 -1.769 -8.605 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -1.057 -6.590 -9.504 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.090 -3.475 -7.467 1.00 0.00 H new ATOM 0 HH TYR A 212 1.291 -6.678 -8.441 1.00 0.00 H new ATOM 647 N LEU A 213 -3.267 -0.497 -7.953 1.00 0.00 N ATOM 648 CA LEU A 213 -3.102 -0.042 -6.544 1.00 0.00 C ATOM 649 C LEU A 213 -4.436 -0.171 -5.815 1.00 0.00 C ATOM 650 O LEU A 213 -4.496 -0.573 -4.670 1.00 0.00 O ATOM 651 CB LEU A 213 -2.657 1.424 -6.531 1.00 0.00 C ATOM 652 CG LEU A 213 -1.275 1.569 -7.179 1.00 0.00 C ATOM 653 CD1 LEU A 213 -0.901 3.053 -7.191 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.220 0.782 -6.382 1.00 0.00 C ATOM 0 H LEU A 213 -3.182 0.237 -8.656 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.350 -0.655 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.383 2.036 -7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.625 1.792 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.306 1.173 -8.194 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.080 3.177 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.642 3.610 -7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -0.875 3.430 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.755 0.896 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.174 1.165 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.492 -0.273 -6.362 1.00 0.00 H new ATOM 666 N LYS A 214 -5.506 0.170 -6.472 1.00 0.00 N ATOM 667 CA LYS A 214 -6.837 0.073 -5.819 1.00 0.00 C ATOM 668 C LYS A 214 -7.110 -1.378 -5.405 1.00 0.00 C ATOM 669 O LYS A 214 -7.628 -1.634 -4.337 1.00 0.00 O ATOM 670 CB LYS A 214 -7.919 0.562 -6.787 1.00 0.00 C ATOM 671 CG LYS A 214 -7.832 2.093 -6.939 1.00 0.00 C ATOM 672 CD LYS A 214 -9.118 2.624 -7.580 1.00 0.00 C ATOM 673 CE LYS A 214 -9.225 2.123 -9.019 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.250 2.923 -9.746 1.00 0.00 N ATOM 0 H LYS A 214 -5.516 0.512 -7.433 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.850 0.699 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.794 0.083 -7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.905 0.280 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.682 2.557 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -6.972 2.358 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -9.984 2.295 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.120 3.714 -7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -8.260 2.208 -9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -9.497 1.068 -9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.324 2.583 -10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -11.170 2.820 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -9.972 3.925 -9.747 1.00 0.00 H new ATOM 688 N GLU A 215 -6.757 -2.332 -6.221 1.00 0.00 N ATOM 689 CA GLU A 215 -7.005 -3.749 -5.829 1.00 0.00 C ATOM 690 C GLU A 215 -6.236 -4.057 -4.545 1.00 0.00 C ATOM 691 O GLU A 215 -6.744 -4.702 -3.651 1.00 0.00 O ATOM 692 CB GLU A 215 -6.543 -4.682 -6.944 1.00 0.00 C ATOM 693 CG GLU A 215 -7.512 -4.579 -8.121 1.00 0.00 C ATOM 694 CD GLU A 215 -6.897 -5.257 -9.346 1.00 0.00 C ATOM 695 OE1 GLU A 215 -5.763 -5.693 -9.248 1.00 0.00 O ATOM 696 OE2 GLU A 215 -7.571 -5.327 -10.360 1.00 0.00 O ATOM 0 H GLU A 215 -6.314 -2.196 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 215 -8.071 -3.899 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.535 -4.415 -7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.501 -5.709 -6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -8.461 -5.052 -7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.726 -3.533 -8.340 1.00 0.00 H new ATOM 703 N ILE A 216 -5.023 -3.590 -4.433 1.00 0.00 N ATOM 704 CA ILE A 216 -4.244 -3.856 -3.189 1.00 0.00 C ATOM 705 C ILE A 216 -4.888 -3.097 -2.032 1.00 0.00 C ATOM 706 O ILE A 216 -5.078 -3.624 -0.954 1.00 0.00 O ATOM 707 CB ILE A 216 -2.803 -3.366 -3.375 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.100 -4.246 -4.417 1.00 0.00 C ATOM 709 CG2 ILE A 216 -2.059 -3.444 -2.039 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.739 -3.644 -4.791 1.00 0.00 C ATOM 0 H ILE A 216 -4.540 -3.040 -5.143 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.239 -4.925 -2.977 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.808 -2.332 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.964 -5.252 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.723 -4.336 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -1.035 -3.096 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.563 -2.816 -1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -2.048 -4.476 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.251 -4.279 -5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.884 -2.647 -5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.113 -3.578 -3.901 1.00 0.00 H new ATOM 722 N LEU A 217 -5.238 -1.867 -2.255 1.00 0.00 N ATOM 723 CA LEU A 217 -5.878 -1.064 -1.182 1.00 0.00 C ATOM 724 C LEU A 217 -7.242 -1.670 -0.846 1.00 0.00 C ATOM 725 O LEU A 217 -7.691 -1.644 0.277 1.00 0.00 O ATOM 726 CB LEU A 217 -6.073 0.367 -1.679 1.00 0.00 C ATOM 727 CG LEU A 217 -4.711 1.036 -1.903 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.932 2.402 -2.556 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.971 1.215 -0.561 1.00 0.00 C ATOM 0 H LEU A 217 -5.108 -1.378 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.247 -1.064 -0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.643 0.363 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.652 0.937 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 217 -4.102 0.406 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.970 2.887 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.440 2.271 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.544 3.023 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -3.007 1.691 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.568 1.840 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.815 0.240 -0.099 1.00 0.00 H new ATOM 741 N LYS A 218 -7.915 -2.202 -1.817 1.00 0.00 N ATOM 742 CA LYS A 218 -9.252 -2.793 -1.546 1.00 0.00 C ATOM 743 C LYS A 218 -9.139 -3.958 -0.560 1.00 0.00 C ATOM 744 O LYS A 218 -9.997 -4.154 0.278 1.00 0.00 O ATOM 745 CB LYS A 218 -9.864 -3.296 -2.849 1.00 0.00 C ATOM 746 CG LYS A 218 -11.278 -3.810 -2.573 1.00 0.00 C ATOM 747 CD LYS A 218 -11.997 -4.060 -3.896 1.00 0.00 C ATOM 748 CE LYS A 218 -13.371 -4.667 -3.615 1.00 0.00 C ATOM 749 NZ LYS A 218 -13.196 -6.041 -3.067 1.00 0.00 N ATOM 0 H LYS A 218 -7.601 -2.255 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.887 -2.022 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.893 -2.493 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -9.250 -4.092 -3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.234 -4.731 -1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -11.831 -3.083 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -12.105 -3.126 -4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.410 -4.733 -4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -13.918 -4.046 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -13.961 -4.700 -4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -14.067 -6.589 -3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -12.403 -6.509 -3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -12.996 -5.985 -2.048 1.00 0.00 H new ATOM 763 N GLU A 219 -8.111 -4.754 -0.669 1.00 0.00 N ATOM 764 CA GLU A 219 -7.984 -5.922 0.252 1.00 0.00 C ATOM 765 C GLU A 219 -7.489 -5.486 1.638 1.00 0.00 C ATOM 766 O GLU A 219 -8.064 -5.850 2.646 1.00 0.00 O ATOM 767 CB GLU A 219 -6.993 -6.932 -0.350 1.00 0.00 C ATOM 768 CG GLU A 219 -7.684 -7.776 -1.430 1.00 0.00 C ATOM 769 CD GLU A 219 -8.242 -6.875 -2.530 1.00 0.00 C ATOM 770 OE1 GLU A 219 -9.240 -6.222 -2.282 1.00 0.00 O ATOM 771 OE2 GLU A 219 -7.666 -6.861 -3.605 1.00 0.00 O ATOM 0 H GLU A 219 -7.358 -4.649 -1.350 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.967 -6.379 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -6.142 -6.404 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.603 -7.581 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -6.974 -8.485 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -8.490 -8.360 -0.985 1.00 0.00 H new ATOM 778 N ILE A 220 -6.418 -4.740 1.698 1.00 0.00 N ATOM 779 CA ILE A 220 -5.857 -4.305 3.020 1.00 0.00 C ATOM 780 C ILE A 220 -6.058 -2.801 3.256 1.00 0.00 C ATOM 781 O ILE A 220 -5.802 -2.307 4.333 1.00 0.00 O ATOM 782 CB ILE A 220 -4.356 -4.627 3.026 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.681 -3.968 1.810 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.145 -6.144 2.958 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.149 -4.003 1.951 1.00 0.00 C ATOM 0 H ILE A 220 -5.901 -4.409 0.884 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.379 -4.834 3.818 1.00 0.00 H new ATOM 0 HB ILE A 220 -3.916 -4.241 3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.979 -4.485 0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -4.019 -2.936 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.077 -6.363 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.616 -6.616 3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.591 -6.533 2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.693 -3.532 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.854 -3.464 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.814 -5.038 2.021 1.00 0.00 H new ATOM 797 N GLY A 221 -6.480 -2.063 2.266 1.00 0.00 N ATOM 798 CA GLY A 221 -6.653 -0.584 2.456 1.00 0.00 C ATOM 799 C GLY A 221 -8.043 -0.254 3.019 1.00 0.00 C ATOM 800 O GLY A 221 -8.812 -1.125 3.363 1.00 0.00 O ATOM 0 H GLY A 221 -6.713 -2.412 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -5.885 -0.210 3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.513 -0.074 1.503 1.00 0.00 H new ATOM 804 N VAL A 222 -8.359 1.016 3.104 1.00 0.00 N ATOM 805 CA VAL A 222 -9.690 1.454 3.632 1.00 0.00 C ATOM 806 C VAL A 222 -10.094 2.729 2.884 1.00 0.00 C ATOM 807 O VAL A 222 -9.321 3.250 2.119 1.00 0.00 O ATOM 808 CB VAL A 222 -9.574 1.730 5.140 1.00 0.00 C ATOM 809 CG1 VAL A 222 -10.928 2.184 5.708 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.120 0.450 5.849 1.00 0.00 C ATOM 0 H VAL A 222 -7.742 1.779 2.826 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.443 0.681 3.481 1.00 0.00 H new ATOM 0 HB VAL A 222 -8.846 2.524 5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -10.829 2.375 6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.246 3.097 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.671 1.403 5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.035 0.637 6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -9.850 -0.340 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.151 0.141 5.457 1.00 0.00 H new ATOM 820 N GLN A 223 -11.289 3.236 3.075 1.00 0.00 N ATOM 821 CA GLN A 223 -11.705 4.478 2.330 1.00 0.00 C ATOM 822 C GLN A 223 -12.530 5.379 3.249 1.00 0.00 C ATOM 823 O GLN A 223 -13.195 4.918 4.155 1.00 0.00 O ATOM 824 CB GLN A 223 -12.545 4.079 1.103 1.00 0.00 C ATOM 825 CG GLN A 223 -13.056 5.330 0.367 1.00 0.00 C ATOM 826 CD GLN A 223 -11.884 6.235 -0.026 1.00 0.00 C ATOM 827 OE1 GLN A 223 -11.076 5.876 -0.863 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.761 7.401 0.545 1.00 0.00 N ATOM 0 H GLN A 223 -11.991 2.852 3.707 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.818 5.020 2.003 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -11.944 3.472 0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.389 3.465 1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.610 5.034 -0.524 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.749 5.878 1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.439 7.700 1.246 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.987 8.014 0.291 1.00 0.00 H new ATOM 837 N ASN A 224 -12.486 6.669 3.022 1.00 0.00 N ATOM 838 CA ASN A 224 -13.259 7.603 3.884 1.00 0.00 C ATOM 839 C ASN A 224 -13.663 8.831 3.073 1.00 0.00 C ATOM 840 O ASN A 224 -12.832 9.537 2.531 1.00 0.00 O ATOM 841 CB ASN A 224 -12.377 8.057 5.051 1.00 0.00 C ATOM 842 CG ASN A 224 -11.529 6.878 5.511 1.00 0.00 C ATOM 843 OD1 ASN A 224 -11.937 6.112 6.360 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.359 6.696 4.966 1.00 0.00 N ATOM 0 H ASN A 224 -11.948 7.111 2.277 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.149 7.096 4.258 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.738 8.884 4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -12.995 8.421 5.872 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.780 5.906 5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.022 7.343 4.253 1.00 0.00 H new ATOM 851 N VAL A 225 -14.935 9.102 3.017 1.00 0.00 N ATOM 852 CA VAL A 225 -15.430 10.304 2.287 1.00 0.00 C ATOM 853 C VAL A 225 -15.703 11.376 3.336 1.00 0.00 C ATOM 854 O VAL A 225 -16.221 11.085 4.397 1.00 0.00 O ATOM 855 CB VAL A 225 -16.721 9.978 1.539 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.446 8.934 0.453 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.742 9.426 2.528 1.00 0.00 C ATOM 0 H VAL A 225 -15.664 8.535 3.451 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.695 10.640 1.556 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.108 10.883 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.372 8.707 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.712 9.326 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -16.058 8.025 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.667 9.190 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.348 8.522 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.942 10.171 3.298 1.00 0.00 H new ATOM 867 N LYS A 226 -15.317 12.595 3.080 1.00 0.00 N ATOM 868 CA LYS A 226 -15.506 13.679 4.098 1.00 0.00 C ATOM 869 C LYS A 226 -16.249 14.875 3.499 1.00 0.00 C ATOM 870 O LYS A 226 -16.851 14.777 2.449 1.00 0.00 O ATOM 871 CB LYS A 226 -14.127 14.096 4.587 1.00 0.00 C ATOM 872 CG LYS A 226 -13.365 12.824 4.987 1.00 0.00 C ATOM 873 CD LYS A 226 -11.976 13.173 5.525 1.00 0.00 C ATOM 874 CE LYS A 226 -12.053 13.526 7.015 1.00 0.00 C ATOM 875 NZ LYS A 226 -12.417 12.307 7.790 1.00 0.00 N ATOM 0 H LYS A 226 -14.877 12.893 2.209 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.111 13.311 4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.590 14.632 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.212 14.773 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -13.928 12.280 5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -13.271 12.164 4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.300 12.330 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.563 14.013 4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -11.095 13.917 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -12.793 14.309 7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -12.000 12.363 8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -13.452 12.242 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -12.054 11.464 7.301 1.00 0.00 H new ATOM 889 N GLY A 227 -16.228 15.995 4.192 1.00 0.00 N ATOM 890 CA GLY A 227 -16.944 17.229 3.723 1.00 0.00 C ATOM 891 C GLY A 227 -16.983 17.301 2.191 1.00 0.00 C ATOM 892 O GLY A 227 -18.002 17.044 1.582 1.00 0.00 O ATOM 0 H GLY A 227 -15.736 16.106 5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -17.961 17.234 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -16.446 18.114 4.118 1.00 0.00 H new ATOM 896 N ILE A 228 -15.892 17.646 1.554 1.00 0.00 N ATOM 897 CA ILE A 228 -15.905 17.723 0.060 1.00 0.00 C ATOM 898 C ILE A 228 -15.636 16.332 -0.526 1.00 0.00 C ATOM 899 O ILE A 228 -15.051 16.198 -1.583 1.00 0.00 O ATOM 900 CB ILE A 228 -14.843 18.717 -0.441 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.450 18.333 0.068 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.179 20.128 0.041 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.402 19.188 -0.654 1.00 0.00 C ATOM 0 H ILE A 228 -15.002 17.875 1.997 1.00 0.00 H new ATOM 0 HA ILE A 228 -16.884 18.073 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 228 -14.842 18.687 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.386 18.489 1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.262 17.275 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.422 20.825 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.155 20.422 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.200 20.145 1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.407 18.921 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.463 19.009 -1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.590 20.242 -0.451 1.00 0.00 H new ATOM 915 N HIS A 229 -16.057 15.300 0.165 1.00 0.00 N ATOM 916 CA HIS A 229 -15.835 13.905 -0.327 1.00 0.00 C ATOM 917 C HIS A 229 -14.340 13.668 -0.485 1.00 0.00 C ATOM 918 O HIS A 229 -13.876 13.215 -1.513 1.00 0.00 O ATOM 919 CB HIS A 229 -16.532 13.686 -1.675 1.00 0.00 C ATOM 920 CG HIS A 229 -17.980 14.084 -1.572 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.919 13.319 -0.892 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.666 15.163 -2.070 1.00 0.00 C ATOM 923 CE1 HIS A 229 -20.107 13.946 -1.002 1.00 0.00 C ATOM 924 NE2 HIS A 229 -20.007 15.075 -1.709 1.00 0.00 N ATOM 0 H HIS A 229 -16.549 15.366 1.056 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.254 13.205 0.395 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -16.038 14.273 -2.449 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.453 12.640 -1.970 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.231 15.960 -2.654 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -21.027 13.580 -0.571 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.754 15.732 -1.936 1.00 0.00 H new ATOM 932 N LYS A 230 -13.578 13.981 0.524 1.00 0.00 N ATOM 933 CA LYS A 230 -12.114 13.781 0.421 1.00 0.00 C ATOM 934 C LYS A 230 -11.821 12.288 0.394 1.00 0.00 C ATOM 935 O LYS A 230 -12.077 11.575 1.345 1.00 0.00 O ATOM 936 CB LYS A 230 -11.405 14.398 1.627 1.00 0.00 C ATOM 937 CG LYS A 230 -11.694 15.899 1.697 1.00 0.00 C ATOM 938 CD LYS A 230 -10.955 16.494 2.899 1.00 0.00 C ATOM 939 CE LYS A 230 -11.508 17.883 3.217 1.00 0.00 C ATOM 940 NZ LYS A 230 -11.108 18.828 2.143 1.00 0.00 N ATOM 0 H LYS A 230 -13.907 14.365 1.410 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.754 14.260 -0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.740 13.912 2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.331 14.230 1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.372 16.388 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.766 16.072 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -11.068 15.842 3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -9.888 16.558 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -12.594 17.845 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -11.129 18.227 4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -11.900 19.467 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -10.288 19.385 2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -10.855 18.294 1.287 1.00 0.00 H new ATOM 954 N ASN A 231 -11.287 11.810 -0.685 1.00 0.00 N ATOM 955 CA ASN A 231 -10.975 10.362 -0.776 1.00 0.00 C ATOM 956 C ASN A 231 -9.671 10.079 -0.019 1.00 0.00 C ATOM 957 O ASN A 231 -8.627 10.544 -0.409 1.00 0.00 O ATOM 958 CB ASN A 231 -10.792 9.984 -2.253 1.00 0.00 C ATOM 959 CG ASN A 231 -11.839 10.700 -3.106 1.00 0.00 C ATOM 960 OD1 ASN A 231 -13.018 10.419 -3.007 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.455 11.630 -3.940 1.00 0.00 N ATOM 0 H ASN A 231 -11.051 12.359 -1.512 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.787 9.779 -0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.791 10.257 -2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.886 8.905 -2.376 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -12.145 12.121 -4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.466 11.865 -4.022 1.00 0.00 H new ATOM 968 N THR A 232 -9.711 9.313 1.049 1.00 0.00 N ATOM 969 CA THR A 232 -8.445 8.999 1.800 1.00 0.00 C ATOM 970 C THR A 232 -8.344 7.497 2.024 1.00 0.00 C ATOM 971 O THR A 232 -9.305 6.854 2.402 1.00 0.00 O ATOM 972 CB THR A 232 -8.443 9.693 3.160 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.587 9.293 3.900 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.447 11.205 2.970 1.00 0.00 C ATOM 0 H THR A 232 -10.558 8.893 1.432 1.00 0.00 H new ATOM 0 HA THR A 232 -7.599 9.353 1.211 1.00 0.00 H new ATOM 0 HB THR A 232 -7.545 9.409 3.708 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.584 9.738 4.773 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.446 11.694 3.944 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.559 11.504 2.413 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.339 11.500 2.417 1.00 0.00 H new ATOM 982 N TRP A 233 -7.176 6.938 1.799 1.00 0.00 N ATOM 983 CA TRP A 233 -6.979 5.468 1.990 1.00 0.00 C ATOM 984 C TRP A 233 -6.046 5.199 3.171 1.00 0.00 C ATOM 985 O TRP A 233 -5.144 5.965 3.458 1.00 0.00 O ATOM 986 CB TRP A 233 -6.391 4.864 0.711 1.00 0.00 C ATOM 987 CG TRP A 233 -7.451 4.850 -0.342 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.746 5.882 -1.165 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.372 3.776 -0.686 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.796 5.511 -1.985 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.214 4.220 -1.730 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.556 2.474 -0.194 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.207 3.397 -2.266 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.551 1.644 -0.729 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.376 2.104 -1.762 1.00 0.00 C ATOM 0 H TRP A 233 -6.346 7.444 1.489 1.00 0.00 H new ATOM 0 HA TRP A 233 -7.943 5.006 2.203 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.534 5.448 0.377 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.033 3.852 0.901 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.244 6.838 -1.179 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.211 6.117 -2.692 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.926 2.109 0.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.840 3.757 -3.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.682 0.644 -0.342 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -11.142 1.461 -2.169 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.274 4.105 3.864 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.422 3.746 5.048 1.00 0.00 C ATOM 1008 C GLU A 234 -5.164 2.234 5.054 1.00 0.00 C ATOM 1009 O GLU A 234 -6.041 1.453 4.750 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.157 4.100 6.343 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.354 5.609 6.453 1.00 0.00 C ATOM 1012 CD GLU A 234 -6.840 5.943 7.864 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -7.928 5.515 8.213 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.118 6.620 8.572 1.00 0.00 O ATOM 0 H GLU A 234 -7.020 3.440 3.658 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.483 4.296 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.125 3.599 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.589 3.738 7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.418 6.128 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.079 5.949 5.714 1.00 0.00 H new ATOM 1021 N LEU A 235 -3.982 1.811 5.424 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.703 0.343 5.474 1.00 0.00 C ATOM 1023 C LEU A 235 -4.445 -0.265 6.658 1.00 0.00 C ATOM 1024 O LEU A 235 -4.280 0.165 7.779 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.206 0.096 5.662 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.427 0.565 4.428 1.00 0.00 C ATOM 1027 CD1 LEU A 235 0.057 0.687 4.789 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -1.581 -0.452 3.285 1.00 0.00 C ATOM 0 H LEU A 235 -3.203 2.413 5.692 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.033 -0.111 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.852 0.626 6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.025 -0.965 5.832 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.818 1.530 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.618 1.020 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.177 1.411 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.434 -0.283 5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.023 -0.108 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.194 -1.420 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.635 -0.550 3.025 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.246 -1.268 6.431 1.00 0.00 N ATOM 1041 CA LYS A 236 -5.974 -1.891 7.567 1.00 0.00 C ATOM 1042 C LYS A 236 -4.960 -2.467 8.572 1.00 0.00 C ATOM 1043 O LYS A 236 -4.260 -3.407 8.261 1.00 0.00 O ATOM 1044 CB LYS A 236 -6.856 -3.045 7.065 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.114 -2.497 6.388 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.084 -3.647 6.107 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.374 -3.083 5.512 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.343 -4.188 5.277 1.00 0.00 N ATOM 0 H LYS A 236 -5.426 -1.680 5.515 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.594 -1.129 8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -6.295 -3.661 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -7.135 -3.688 7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -8.590 -1.754 7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -7.850 -1.994 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -8.632 -4.359 5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.301 -4.189 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.806 -2.345 6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -10.159 -2.569 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -12.219 -3.801 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -10.931 -4.877 4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.557 -4.660 6.179 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.891 -1.948 9.776 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.968 -2.481 10.807 1.00 0.00 C ATOM 1064 C PRO A 237 -4.620 -3.663 11.525 1.00 0.00 C ATOM 1065 O PRO A 237 -4.060 -4.266 12.417 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.787 -1.297 11.748 1.00 0.00 C ATOM 1067 CG PRO A 237 -5.111 -0.602 11.725 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.678 -0.810 10.311 1.00 0.00 C ATOM 0 HA PRO A 237 -3.023 -2.850 10.409 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.527 -1.625 12.755 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.986 -0.639 11.410 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.781 -1.016 12.478 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.998 0.459 11.947 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.744 -1.038 10.337 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.558 0.083 9.697 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.834 -3.951 11.150 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.604 -5.045 11.800 1.00 0.00 C ATOM 1078 C GLU A 238 -5.865 -6.385 11.717 1.00 0.00 C ATOM 1079 O GLU A 238 -5.747 -7.084 12.704 1.00 0.00 O ATOM 1080 CB GLU A 238 -7.954 -5.187 11.082 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.839 -3.979 11.378 1.00 0.00 C ATOM 1082 CD GLU A 238 -9.227 -3.979 12.853 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -9.878 -4.920 13.273 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -8.861 -3.039 13.540 1.00 0.00 O ATOM 0 H GLU A 238 -6.334 -3.464 10.406 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.737 -4.791 12.852 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -7.795 -5.276 10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.452 -6.100 11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.310 -3.059 11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -9.734 -4.010 10.756 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.401 -6.775 10.553 1.00 0.00 N ATOM 1092 CA TYR A 239 -4.712 -8.105 10.425 1.00 0.00 C ATOM 1093 C TYR A 239 -3.387 -7.999 9.659 1.00 0.00 C ATOM 1094 O TYR A 239 -2.925 -8.973 9.096 1.00 0.00 O ATOM 1095 CB TYR A 239 -5.651 -9.056 9.687 1.00 0.00 C ATOM 1096 CG TYR A 239 -5.866 -8.556 8.283 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -6.819 -7.566 8.038 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.110 -9.077 7.230 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.022 -7.093 6.740 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.310 -8.607 5.928 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.268 -7.613 5.684 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.471 -7.151 4.401 1.00 0.00 O ATOM 0 H TYR A 239 -5.468 -6.236 9.690 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.479 -8.473 11.424 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.227 -10.060 9.666 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -6.604 -9.123 10.211 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.401 -7.165 8.855 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -4.372 -9.842 7.421 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.760 -6.327 6.552 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -4.728 -9.009 5.112 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.331 -6.684 4.354 1.00 0.00 H new ATOM 1112 N ARG A 240 -2.752 -6.859 9.635 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.449 -6.775 8.907 1.00 0.00 C ATOM 1114 C ARG A 240 -0.356 -7.434 9.752 1.00 0.00 C ATOM 1115 O ARG A 240 0.201 -6.832 10.650 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.070 -5.306 8.626 1.00 0.00 C ATOM 1117 CG ARG A 240 -1.781 -4.782 7.356 1.00 0.00 C ATOM 1118 CD ARG A 240 -0.962 -5.107 6.085 1.00 0.00 C ATOM 1119 NE ARG A 240 -1.275 -6.496 5.644 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.908 -6.916 4.463 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -0.226 -6.140 3.665 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -1.224 -8.122 4.081 1.00 0.00 N ATOM 0 H ARG A 240 -3.069 -5.996 10.078 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.547 -7.293 7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.342 -4.687 9.481 1.00 0.00 H new ATOM 0 HB3 ARG A 240 0.010 -5.223 8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.771 -5.231 7.279 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -1.924 -3.704 7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.201 -4.398 5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 240 0.104 -5.009 6.290 1.00 0.00 H new ATOM 0 HE ARG A 240 -1.780 -7.124 6.270 1.00 0.00 H new ATOM 0 HH11 ARG A 240 0.025 -5.197 3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 240 0.056 -6.477 2.744 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -1.755 -8.731 4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -0.940 -8.456 3.160 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.027 -8.659 9.448 1.00 0.00 N ATOM 1137 CA HIS A 241 1.052 -9.354 10.202 1.00 0.00 C ATOM 1138 C HIS A 241 2.381 -8.744 9.766 1.00 0.00 C ATOM 1139 O HIS A 241 3.323 -8.638 10.527 1.00 0.00 O ATOM 1140 CB HIS A 241 1.029 -10.849 9.857 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.295 -11.439 10.266 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -0.488 -12.073 11.486 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -1.507 -11.486 9.626 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -1.775 -12.466 11.540 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -2.439 -12.135 10.430 1.00 0.00 N ATOM 0 H HIS A 241 -0.461 -9.210 8.707 1.00 0.00 H new ATOM 0 HA HIS A 241 0.913 -9.240 11.277 1.00 0.00 H new ATOM 0 HB2 HIS A 241 1.186 -10.989 8.788 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.842 -11.364 10.369 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -1.708 -11.080 8.645 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.216 -12.985 12.378 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -3.419 -12.319 10.217 1.00 0.00 H new ATOM 1153 N TYR A 242 2.439 -8.332 8.530 1.00 0.00 N ATOM 1154 CA TYR A 242 3.670 -7.706 7.978 1.00 0.00 C ATOM 1155 C TYR A 242 3.781 -6.262 8.476 1.00 0.00 C ATOM 1156 O TYR A 242 2.817 -5.521 8.483 1.00 0.00 O ATOM 1157 CB TYR A 242 3.564 -7.729 6.451 1.00 0.00 C ATOM 1158 CG TYR A 242 4.661 -6.897 5.829 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.950 -7.421 5.672 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.380 -5.594 5.405 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.956 -6.638 5.090 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.383 -4.815 4.824 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.671 -5.334 4.667 1.00 0.00 C ATOM 1164 OH TYR A 242 7.661 -4.561 4.098 1.00 0.00 O ATOM 0 H TYR A 242 1.668 -8.405 7.867 1.00 0.00 H new ATOM 0 HA TYR A 242 4.557 -8.251 8.302 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.631 -8.756 6.092 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.591 -7.346 6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 242 6.169 -8.427 5.999 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.386 -5.190 5.527 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.951 -7.040 4.968 1.00 0.00 H new ATOM 0 HE2 TYR A 242 5.163 -3.810 4.496 1.00 0.00 H new ATOM 0 HH TYR A 242 7.385 -4.286 3.199 1.00 0.00 H new ATOM 1174 N GLN A 243 4.953 -5.858 8.895 1.00 0.00 N ATOM 1175 CA GLN A 243 5.144 -4.462 9.399 1.00 0.00 C ATOM 1176 C GLN A 243 6.541 -3.975 9.000 1.00 0.00 C ATOM 1177 O GLN A 243 7.155 -3.180 9.684 1.00 0.00 O ATOM 1178 CB GLN A 243 5.013 -4.449 10.929 1.00 0.00 C ATOM 1179 CG GLN A 243 3.549 -4.659 11.342 1.00 0.00 C ATOM 1180 CD GLN A 243 2.699 -3.476 10.868 1.00 0.00 C ATOM 1181 OE1 GLN A 243 2.912 -2.356 11.289 1.00 0.00 O ATOM 1182 NE2 GLN A 243 1.740 -3.678 10.007 1.00 0.00 N ATOM 0 H GLN A 243 5.792 -6.438 8.910 1.00 0.00 H new ATOM 0 HA GLN A 243 4.388 -3.806 8.967 1.00 0.00 H new ATOM 0 HB2 GLN A 243 5.635 -5.233 11.360 1.00 0.00 H new ATOM 0 HB3 GLN A 243 5.376 -3.500 11.324 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.170 -5.586 10.912 1.00 0.00 H new ATOM 0 HG3 GLN A 243 3.478 -4.758 12.425 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.561 -4.618 9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 243 1.169 -2.896 9.687 1.00 0.00 H new TER 1191 GLN A 243