USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 598 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 179 CYS SG : rot -120:sc= 0.733 USER MOD Set 1.2: A 214 CYS SG : rot 150:sc= 0.647 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HD1:sc= -0.0613 X(o=-0.061,f=-0.065) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= -0.874 USER MOD Single : A 153 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 155 HIS : no HD1:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 157 TYR OH : rot 15:sc= -0.63 USER MOD Single : A 159 ASN : amide:sc= -0.165 K(o=-0.16,f=-2.8!) USER MOD Single : A 160 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 177 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 178 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.5!) USER MOD Single : A 181 ASN : amide:sc= 0 X(o=0,f=0.055) USER MOD Single : A 183 THR OG1 : rot 63:sc= -0.572 USER MOD Single : A 185 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0217) USER MOD Single : A 186 GLN : amide:sc= -0.0579 K(o=-0.058,f=-1.1) USER MOD Single : A 187 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.057) USER MOD Single : A 188 THR OG1 : rot 66:sc= 0.985 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 64:sc= 1.18 USER MOD Single : A 192 THR OG1 : rot 180:sc= 0 USER MOD Single : A 193 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 201 THR OG1 : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 205 MET CE :methyl -167:sc= -0.117 (180deg=-0.581) USER MOD Single : A 206 MET CE :methyl 140:sc= -1.31 (180deg=-6.05!) USER MOD Single : A 212 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.17) USER MOD Single : A 213 MET CE :methyl -176:sc= -0.0224 (180deg=-0.0523) USER MOD Single : A 216 THR OG1 : rot 180:sc= -0.0484 USER MOD Single : A 217 GLN : amide:sc=-0.00277 X(o=-0.0028,f=0) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N ALA A 133 14.917 -11.490 -15.985 1.00 0.00 N ATOM 109 CA ALA A 133 16.000 -10.758 -16.631 1.00 0.00 C ATOM 110 C ALA A 133 15.818 -10.732 -18.145 1.00 0.00 C ATOM 111 O ALA A 133 14.789 -11.165 -18.663 1.00 0.00 O ATOM 112 CB ALA A 133 17.343 -11.376 -16.270 1.00 0.00 C ATOM 0 HA ALA A 133 15.976 -9.730 -16.270 1.00 0.00 H new ATOM 0 HB1 ALA A 133 18.143 -10.820 -16.759 1.00 0.00 H new ATOM 0 HB2 ALA A 133 17.482 -11.338 -15.190 1.00 0.00 H new ATOM 0 HB3 ALA A 133 17.367 -12.414 -16.602 1.00 0.00 H new ATOM 118 N MET A 134 16.822 -10.219 -18.848 1.00 0.00 N ATOM 119 CA MET A 134 16.772 -10.136 -20.303 1.00 0.00 C ATOM 120 C MET A 134 17.773 -11.097 -20.937 1.00 0.00 C ATOM 121 O MET A 134 18.836 -11.361 -20.375 1.00 0.00 O ATOM 122 CB MET A 134 17.057 -8.706 -20.764 1.00 0.00 C ATOM 123 CG MET A 134 16.294 -7.651 -19.979 1.00 0.00 C ATOM 124 SD MET A 134 14.507 -7.867 -20.079 1.00 0.00 S ATOM 125 CE MET A 134 13.940 -6.410 -19.207 1.00 0.00 C ATOM 0 H MET A 134 17.680 -9.855 -18.434 1.00 0.00 H new ATOM 0 HA MET A 134 15.770 -10.420 -20.624 1.00 0.00 H new ATOM 0 HB2 MET A 134 18.126 -8.511 -20.676 1.00 0.00 H new ATOM 0 HB3 MET A 134 16.803 -8.616 -21.820 1.00 0.00 H new ATOM 0 HG2 MET A 134 16.602 -7.688 -18.934 1.00 0.00 H new ATOM 0 HG3 MET A 134 16.558 -6.663 -20.355 1.00 0.00 H new ATOM 0 HE1 MET A 134 12.850 -6.401 -19.184 1.00 0.00 H new ATOM 0 HE2 MET A 134 14.324 -6.424 -18.187 1.00 0.00 H new ATOM 0 HE3 MET A 134 14.300 -5.517 -19.718 1.00 0.00 H new ATOM 135 N SER A 135 17.426 -11.616 -22.110 1.00 0.00 N ATOM 136 CA SER A 135 18.294 -12.551 -22.819 1.00 0.00 C ATOM 137 C SER A 135 19.189 -11.815 -23.811 1.00 0.00 C ATOM 138 O SER A 135 18.770 -10.844 -24.441 1.00 0.00 O ATOM 139 CB SER A 135 17.457 -13.601 -23.552 1.00 0.00 C ATOM 140 OG SER A 135 17.867 -14.912 -23.206 1.00 0.00 O ATOM 0 H SER A 135 16.551 -11.406 -22.590 1.00 0.00 H new ATOM 0 HA SER A 135 18.927 -13.049 -22.085 1.00 0.00 H new ATOM 0 HB2 SER A 135 16.404 -13.469 -23.304 1.00 0.00 H new ATOM 0 HB3 SER A 135 17.552 -13.459 -24.629 1.00 0.00 H new ATOM 0 HG SER A 135 17.316 -15.565 -23.686 1.00 0.00 H new ATOM 146 N ARG A 136 20.425 -12.285 -23.943 1.00 0.00 N ATOM 147 CA ARG A 136 21.382 -11.673 -24.857 1.00 0.00 C ATOM 148 C ARG A 136 21.556 -10.189 -24.547 1.00 0.00 C ATOM 149 O ARG A 136 21.080 -9.317 -25.276 1.00 0.00 O ATOM 150 CB ARG A 136 20.923 -11.852 -26.305 1.00 0.00 C ATOM 151 CG ARG A 136 21.029 -13.283 -26.805 1.00 0.00 C ATOM 152 CD ARG A 136 20.906 -13.355 -28.319 1.00 0.00 C ATOM 153 NE ARG A 136 22.080 -12.806 -28.991 1.00 0.00 N ATOM 154 CZ ARG A 136 22.122 -12.530 -30.290 1.00 0.00 C ATOM 155 NH1 ARG A 136 21.060 -12.749 -31.052 1.00 0.00 N ATOM 156 NH2 ARG A 136 23.228 -12.032 -30.828 1.00 0.00 N ATOM 0 H ARG A 136 20.787 -13.088 -23.429 1.00 0.00 H new ATOM 0 HA ARG A 136 22.343 -12.170 -24.724 1.00 0.00 H new ATOM 0 HB2 ARG A 136 19.888 -11.521 -26.393 1.00 0.00 H new ATOM 0 HB3 ARG A 136 21.520 -11.206 -26.949 1.00 0.00 H new ATOM 0 HG2 ARG A 136 21.984 -13.708 -26.496 1.00 0.00 H new ATOM 0 HG3 ARG A 136 20.247 -13.889 -26.346 1.00 0.00 H new ATOM 0 HD2 ARG A 136 20.767 -14.393 -28.622 1.00 0.00 H new ATOM 0 HD3 ARG A 136 20.018 -12.809 -28.637 1.00 0.00 H new ATOM 0 HE ARG A 136 22.914 -12.624 -28.433 1.00 0.00 H new ATOM 0 HH11 ARG A 136 20.208 -13.130 -30.642 1.00 0.00 H new ATOM 0 HH12 ARG A 136 21.095 -12.536 -32.049 1.00 0.00 H new ATOM 0 HH21 ARG A 136 24.047 -11.861 -30.244 1.00 0.00 H new ATOM 0 HH22 ARG A 136 23.259 -11.820 -31.825 1.00 0.00 H new ATOM 170 N PRO A 137 22.253 -9.893 -23.440 1.00 0.00 N ATOM 171 CA PRO A 137 22.506 -8.515 -23.009 1.00 0.00 C ATOM 172 C PRO A 137 23.476 -7.786 -23.933 1.00 0.00 C ATOM 173 O PRO A 137 23.542 -6.557 -23.934 1.00 0.00 O ATOM 174 CB PRO A 137 23.120 -8.686 -21.617 1.00 0.00 C ATOM 175 CG PRO A 137 23.728 -10.046 -21.636 1.00 0.00 C ATOM 176 CD PRO A 137 22.849 -10.881 -22.525 1.00 0.00 C ATOM 0 HA PRO A 137 21.598 -7.912 -23.019 1.00 0.00 H new ATOM 0 HB2 PRO A 137 23.869 -7.920 -21.418 1.00 0.00 H new ATOM 0 HB3 PRO A 137 22.363 -8.602 -20.837 1.00 0.00 H new ATOM 0 HG2 PRO A 137 24.748 -10.012 -22.017 1.00 0.00 H new ATOM 0 HG3 PRO A 137 23.777 -10.465 -20.631 1.00 0.00 H new ATOM 0 HD2 PRO A 137 23.423 -11.634 -23.065 1.00 0.00 H new ATOM 0 HD3 PRO A 137 22.087 -11.411 -21.954 1.00 0.00 H new ATOM 184 N ILE A 138 24.226 -8.552 -24.718 1.00 0.00 N ATOM 185 CA ILE A 138 25.191 -7.979 -25.647 1.00 0.00 C ATOM 186 C ILE A 138 24.542 -6.917 -26.528 1.00 0.00 C ATOM 187 O ILE A 138 23.801 -7.236 -27.459 1.00 0.00 O ATOM 188 CB ILE A 138 25.819 -9.061 -26.545 1.00 0.00 C ATOM 189 CG1 ILE A 138 26.484 -10.141 -25.690 1.00 0.00 C ATOM 190 CG2 ILE A 138 26.827 -8.438 -27.499 1.00 0.00 C ATOM 191 CD1 ILE A 138 27.617 -9.621 -24.833 1.00 0.00 C ATOM 0 H ILE A 138 24.184 -9.571 -24.729 1.00 0.00 H new ATOM 0 HA ILE A 138 25.974 -7.519 -25.044 1.00 0.00 H new ATOM 0 HB ILE A 138 25.029 -9.526 -27.135 1.00 0.00 H new ATOM 0 HG12 ILE A 138 25.732 -10.597 -25.046 1.00 0.00 H new ATOM 0 HG13 ILE A 138 26.864 -10.927 -26.343 1.00 0.00 H new ATOM 0 HG21 ILE A 138 27.262 -9.215 -28.127 1.00 0.00 H new ATOM 0 HG22 ILE A 138 26.326 -7.702 -28.128 1.00 0.00 H new ATOM 0 HG23 ILE A 138 27.616 -7.950 -26.927 1.00 0.00 H new ATOM 0 HD11 ILE A 138 28.041 -10.441 -24.254 1.00 0.00 H new ATOM 0 HD12 ILE A 138 28.388 -9.191 -25.472 1.00 0.00 H new ATOM 0 HD13 ILE A 138 27.239 -8.856 -24.155 1.00 0.00 H new ATOM 203 N ILE A 139 24.825 -5.654 -26.229 1.00 0.00 N ATOM 204 CA ILE A 139 24.271 -4.545 -26.996 1.00 0.00 C ATOM 205 C ILE A 139 25.258 -4.060 -28.052 1.00 0.00 C ATOM 206 O ILE A 139 26.473 -4.154 -27.873 1.00 0.00 O ATOM 207 CB ILE A 139 23.891 -3.364 -26.084 1.00 0.00 C ATOM 208 CG1 ILE A 139 23.105 -2.315 -26.872 1.00 0.00 C ATOM 209 CG2 ILE A 139 25.138 -2.748 -25.468 1.00 0.00 C ATOM 210 CD1 ILE A 139 22.410 -1.296 -25.996 1.00 0.00 C ATOM 0 H ILE A 139 25.435 -5.373 -25.461 1.00 0.00 H new ATOM 0 HA ILE A 139 23.372 -4.919 -27.486 1.00 0.00 H new ATOM 0 HB ILE A 139 23.257 -3.735 -25.279 1.00 0.00 H new ATOM 0 HG12 ILE A 139 23.784 -1.797 -27.549 1.00 0.00 H new ATOM 0 HG13 ILE A 139 22.361 -2.818 -27.490 1.00 0.00 H new ATOM 0 HG21 ILE A 139 24.853 -1.915 -24.826 1.00 0.00 H new ATOM 0 HG22 ILE A 139 25.661 -3.499 -24.876 1.00 0.00 H new ATOM 0 HG23 ILE A 139 25.795 -2.388 -26.260 1.00 0.00 H new ATOM 0 HD11 ILE A 139 21.873 -0.584 -26.622 1.00 0.00 H new ATOM 0 HD12 ILE A 139 21.706 -1.803 -25.337 1.00 0.00 H new ATOM 0 HD13 ILE A 139 23.150 -0.766 -25.397 1.00 0.00 H new ATOM 222 N HIS A 140 24.728 -3.538 -29.154 1.00 0.00 N ATOM 223 CA HIS A 140 25.562 -3.035 -30.240 1.00 0.00 C ATOM 224 C HIS A 140 26.590 -2.036 -29.717 1.00 0.00 C ATOM 225 O HIS A 140 26.261 -0.885 -29.427 1.00 0.00 O ATOM 226 CB HIS A 140 24.696 -2.377 -31.315 1.00 0.00 C ATOM 227 CG HIS A 140 23.643 -3.284 -31.873 1.00 0.00 C ATOM 228 ND1 HIS A 140 23.919 -4.540 -32.372 1.00 0.00 N ATOM 229 CD2 HIS A 140 22.307 -3.113 -32.007 1.00 0.00 C ATOM 230 CE1 HIS A 140 22.798 -5.100 -32.791 1.00 0.00 C ATOM 231 NE2 HIS A 140 21.805 -4.255 -32.580 1.00 0.00 N ATOM 0 H HIS A 140 23.725 -3.452 -29.318 1.00 0.00 H new ATOM 0 HA HIS A 140 26.092 -3.880 -30.679 1.00 0.00 H new ATOM 0 HB2 HIS A 140 24.217 -1.493 -30.893 1.00 0.00 H new ATOM 0 HB3 HIS A 140 25.337 -2.035 -32.127 1.00 0.00 H new ATOM 0 HD2 HIS A 140 21.741 -2.240 -31.717 1.00 0.00 H new ATOM 0 HE1 HIS A 140 22.709 -6.082 -33.231 1.00 0.00 H new ATOM 0 HE2 HIS A 140 20.825 -4.424 -32.806 1.00 0.00 H new ATOM 239 N PHE A 141 27.836 -2.484 -29.597 1.00 0.00 N ATOM 240 CA PHE A 141 28.911 -1.630 -29.107 1.00 0.00 C ATOM 241 C PHE A 141 29.111 -0.426 -30.024 1.00 0.00 C ATOM 242 O PHE A 141 28.823 0.709 -29.647 1.00 0.00 O ATOM 243 CB PHE A 141 30.214 -2.425 -29.001 1.00 0.00 C ATOM 244 CG PHE A 141 30.052 -3.753 -28.318 1.00 0.00 C ATOM 245 CD1 PHE A 141 29.394 -3.846 -27.102 1.00 0.00 C ATOM 246 CD2 PHE A 141 30.557 -4.908 -28.892 1.00 0.00 C ATOM 247 CE1 PHE A 141 29.242 -5.067 -26.472 1.00 0.00 C ATOM 248 CE2 PHE A 141 30.408 -6.132 -28.267 1.00 0.00 C ATOM 249 CZ PHE A 141 29.751 -6.211 -27.054 1.00 0.00 C ATOM 0 H PHE A 141 28.125 -3.433 -29.832 1.00 0.00 H new ATOM 0 HA PHE A 141 28.631 -1.269 -28.117 1.00 0.00 H new ATOM 0 HB2 PHE A 141 30.614 -2.587 -30.002 1.00 0.00 H new ATOM 0 HB3 PHE A 141 30.949 -1.832 -28.456 1.00 0.00 H new ATOM 0 HD1 PHE A 141 28.995 -2.954 -26.641 1.00 0.00 H new ATOM 0 HD2 PHE A 141 31.073 -4.852 -29.839 1.00 0.00 H new ATOM 0 HE1 PHE A 141 28.726 -5.126 -25.525 1.00 0.00 H new ATOM 0 HE2 PHE A 141 30.805 -7.025 -28.726 1.00 0.00 H new ATOM 0 HZ PHE A 141 29.636 -7.166 -26.562 1.00 0.00 H new ATOM 259 N GLY A 142 29.606 -0.684 -31.230 1.00 0.00 N ATOM 260 CA GLY A 142 29.836 0.388 -32.182 1.00 0.00 C ATOM 261 C GLY A 142 31.310 0.682 -32.378 1.00 0.00 C ATOM 262 O GLY A 142 31.714 1.193 -33.422 1.00 0.00 O ATOM 0 H GLY A 142 29.852 -1.615 -31.565 1.00 0.00 H new ATOM 0 HA2 GLY A 142 29.391 0.120 -33.141 1.00 0.00 H new ATOM 0 HA3 GLY A 142 29.331 1.291 -31.837 1.00 0.00 H new ATOM 266 N SER A 143 32.116 0.359 -31.372 1.00 0.00 N ATOM 267 CA SER A 143 33.553 0.596 -31.436 1.00 0.00 C ATOM 268 C SER A 143 34.317 -0.476 -30.665 1.00 0.00 C ATOM 269 O SER A 143 33.975 -0.801 -29.528 1.00 0.00 O ATOM 270 CB SER A 143 33.889 1.980 -30.875 1.00 0.00 C ATOM 271 OG SER A 143 33.390 3.006 -31.716 1.00 0.00 O ATOM 0 H SER A 143 31.798 -0.068 -30.502 1.00 0.00 H new ATOM 0 HA SER A 143 33.856 0.552 -32.482 1.00 0.00 H new ATOM 0 HB2 SER A 143 33.463 2.084 -29.877 1.00 0.00 H new ATOM 0 HB3 SER A 143 34.969 2.082 -30.773 1.00 0.00 H new ATOM 0 HG SER A 143 33.616 3.880 -31.335 1.00 0.00 H new ATOM 277 N ASP A 144 35.352 -1.023 -31.293 1.00 0.00 N ATOM 278 CA ASP A 144 36.165 -2.059 -30.667 1.00 0.00 C ATOM 279 C ASP A 144 36.860 -1.524 -29.419 1.00 0.00 C ATOM 280 O ASP A 144 37.003 -2.234 -28.423 1.00 0.00 O ATOM 281 CB ASP A 144 37.204 -2.589 -31.656 1.00 0.00 C ATOM 282 CG ASP A 144 36.763 -3.875 -32.326 1.00 0.00 C ATOM 283 OD1 ASP A 144 36.693 -4.912 -31.633 1.00 0.00 O ATOM 284 OD2 ASP A 144 36.488 -3.846 -33.544 1.00 0.00 O ATOM 0 H ASP A 144 35.648 -0.766 -32.235 1.00 0.00 H new ATOM 0 HA ASP A 144 35.505 -2.875 -30.372 1.00 0.00 H new ATOM 0 HB2 ASP A 144 37.395 -1.833 -32.418 1.00 0.00 H new ATOM 0 HB3 ASP A 144 38.145 -2.759 -31.133 1.00 0.00 H new ATOM 289 N TYR A 145 37.290 -0.269 -29.479 1.00 0.00 N ATOM 290 CA TYR A 145 37.973 0.360 -28.355 1.00 0.00 C ATOM 291 C TYR A 145 37.059 0.436 -27.136 1.00 0.00 C ATOM 292 O TYR A 145 37.434 0.021 -26.040 1.00 0.00 O ATOM 293 CB TYR A 145 38.446 1.763 -28.739 1.00 0.00 C ATOM 294 CG TYR A 145 39.232 1.805 -30.030 1.00 0.00 C ATOM 295 CD1 TYR A 145 40.563 1.406 -30.069 1.00 0.00 C ATOM 296 CD2 TYR A 145 38.645 2.243 -31.210 1.00 0.00 C ATOM 297 CE1 TYR A 145 41.286 1.443 -31.246 1.00 0.00 C ATOM 298 CE2 TYR A 145 39.360 2.282 -32.392 1.00 0.00 C ATOM 299 CZ TYR A 145 40.679 1.881 -32.405 1.00 0.00 C ATOM 300 OH TYR A 145 41.395 1.920 -33.579 1.00 0.00 O ATOM 0 H TYR A 145 37.178 0.333 -30.295 1.00 0.00 H new ATOM 0 HA TYR A 145 38.839 -0.251 -28.101 1.00 0.00 H new ATOM 0 HB2 TYR A 145 37.579 2.417 -28.830 1.00 0.00 H new ATOM 0 HB3 TYR A 145 39.064 2.162 -27.934 1.00 0.00 H new ATOM 0 HD1 TYR A 145 41.040 1.061 -29.164 1.00 0.00 H new ATOM 0 HD2 TYR A 145 37.612 2.559 -31.204 1.00 0.00 H new ATOM 0 HE1 TYR A 145 42.320 1.131 -31.259 1.00 0.00 H new ATOM 0 HE2 TYR A 145 38.888 2.625 -33.301 1.00 0.00 H new ATOM 0 HH TYR A 145 40.821 2.251 -34.301 1.00 0.00 H new ATOM 310 N GLU A 146 35.857 0.968 -27.337 1.00 0.00 N ATOM 311 CA GLU A 146 34.889 1.097 -26.254 1.00 0.00 C ATOM 312 C GLU A 146 34.411 -0.273 -25.785 1.00 0.00 C ATOM 313 O GLU A 146 34.089 -0.462 -24.611 1.00 0.00 O ATOM 314 CB GLU A 146 33.694 1.939 -26.707 1.00 0.00 C ATOM 315 CG GLU A 146 34.006 3.421 -26.830 1.00 0.00 C ATOM 316 CD GLU A 146 33.086 4.283 -25.987 1.00 0.00 C ATOM 317 OE1 GLU A 146 31.854 4.104 -26.083 1.00 0.00 O ATOM 318 OE2 GLU A 146 33.598 5.136 -25.232 1.00 0.00 O ATOM 0 H GLU A 146 35.531 1.316 -28.239 1.00 0.00 H new ATOM 0 HA GLU A 146 35.381 1.596 -25.419 1.00 0.00 H new ATOM 0 HB2 GLU A 146 33.344 1.569 -27.671 1.00 0.00 H new ATOM 0 HB3 GLU A 146 32.877 1.806 -25.998 1.00 0.00 H new ATOM 0 HG2 GLU A 146 35.039 3.597 -26.530 1.00 0.00 H new ATOM 0 HG3 GLU A 146 33.922 3.721 -27.875 1.00 0.00 H new ATOM 325 N ASP A 147 34.366 -1.226 -26.709 1.00 0.00 N ATOM 326 CA ASP A 147 33.928 -2.580 -26.391 1.00 0.00 C ATOM 327 C ASP A 147 34.743 -3.159 -25.239 1.00 0.00 C ATOM 328 O ASP A 147 34.212 -3.868 -24.384 1.00 0.00 O ATOM 329 CB ASP A 147 34.049 -3.481 -27.622 1.00 0.00 C ATOM 330 CG ASP A 147 33.467 -4.861 -27.388 1.00 0.00 C ATOM 331 OD1 ASP A 147 32.688 -5.022 -26.426 1.00 0.00 O ATOM 332 OD2 ASP A 147 33.791 -5.781 -28.169 1.00 0.00 O ATOM 0 H ASP A 147 34.628 -1.086 -27.685 1.00 0.00 H new ATOM 0 HA ASP A 147 32.883 -2.534 -26.085 1.00 0.00 H new ATOM 0 HB2 ASP A 147 33.539 -3.012 -28.463 1.00 0.00 H new ATOM 0 HB3 ASP A 147 35.099 -3.575 -27.898 1.00 0.00 H new ATOM 337 N ARG A 148 36.037 -2.854 -25.225 1.00 0.00 N ATOM 338 CA ARG A 148 36.926 -3.346 -24.180 1.00 0.00 C ATOM 339 C ARG A 148 36.491 -2.834 -22.810 1.00 0.00 C ATOM 340 O ARG A 148 36.375 -3.604 -21.856 1.00 0.00 O ATOM 341 CB ARG A 148 38.367 -2.916 -24.462 1.00 0.00 C ATOM 342 CG ARG A 148 38.952 -3.537 -25.720 1.00 0.00 C ATOM 343 CD ARG A 148 40.074 -2.685 -26.292 1.00 0.00 C ATOM 344 NE ARG A 148 41.085 -2.365 -25.288 1.00 0.00 N ATOM 345 CZ ARG A 148 41.969 -3.244 -24.828 1.00 0.00 C ATOM 346 NH1 ARG A 148 41.966 -4.490 -25.282 1.00 0.00 N ATOM 347 NH2 ARG A 148 42.857 -2.878 -23.914 1.00 0.00 N ATOM 0 H ARG A 148 36.492 -2.269 -25.925 1.00 0.00 H new ATOM 0 HA ARG A 148 36.873 -4.435 -24.176 1.00 0.00 H new ATOM 0 HB2 ARG A 148 38.402 -1.830 -24.553 1.00 0.00 H new ATOM 0 HB3 ARG A 148 38.991 -3.185 -23.610 1.00 0.00 H new ATOM 0 HG2 ARG A 148 39.330 -4.534 -25.493 1.00 0.00 H new ATOM 0 HG3 ARG A 148 38.167 -3.656 -26.467 1.00 0.00 H new ATOM 0 HD2 ARG A 148 40.542 -3.213 -27.123 1.00 0.00 H new ATOM 0 HD3 ARG A 148 39.658 -1.761 -26.695 1.00 0.00 H new ATOM 0 HE ARG A 148 41.114 -1.414 -24.920 1.00 0.00 H new ATOM 0 HH11 ARG A 148 41.284 -4.775 -25.985 1.00 0.00 H new ATOM 0 HH12 ARG A 148 42.645 -5.163 -24.928 1.00 0.00 H new ATOM 0 HH21 ARG A 148 42.862 -1.920 -23.563 1.00 0.00 H new ATOM 0 HH22 ARG A 148 43.535 -3.554 -23.562 1.00 0.00 H new ATOM 361 N TYR A 149 36.252 -1.530 -22.720 1.00 0.00 N ATOM 362 CA TYR A 149 35.832 -0.915 -21.466 1.00 0.00 C ATOM 363 C TYR A 149 34.421 -1.355 -21.089 1.00 0.00 C ATOM 364 O TYR A 149 34.109 -1.537 -19.912 1.00 0.00 O ATOM 365 CB TYR A 149 35.890 0.610 -21.578 1.00 0.00 C ATOM 366 CG TYR A 149 36.147 1.304 -20.260 1.00 0.00 C ATOM 367 CD1 TYR A 149 37.297 1.039 -19.526 1.00 0.00 C ATOM 368 CD2 TYR A 149 35.240 2.223 -19.747 1.00 0.00 C ATOM 369 CE1 TYR A 149 37.536 1.671 -18.320 1.00 0.00 C ATOM 370 CE2 TYR A 149 35.472 2.860 -18.544 1.00 0.00 C ATOM 371 CZ TYR A 149 36.621 2.581 -17.834 1.00 0.00 C ATOM 372 OH TYR A 149 36.854 3.212 -16.634 1.00 0.00 O ATOM 0 H TYR A 149 36.342 -0.879 -23.500 1.00 0.00 H new ATOM 0 HA TYR A 149 36.516 -1.242 -20.683 1.00 0.00 H new ATOM 0 HB2 TYR A 149 36.675 0.885 -22.283 1.00 0.00 H new ATOM 0 HB3 TYR A 149 34.949 0.972 -21.992 1.00 0.00 H new ATOM 0 HD1 TYR A 149 38.016 0.327 -19.904 1.00 0.00 H new ATOM 0 HD2 TYR A 149 34.338 2.443 -20.299 1.00 0.00 H new ATOM 0 HE1 TYR A 149 38.434 1.453 -17.762 1.00 0.00 H new ATOM 0 HE2 TYR A 149 34.757 3.573 -18.161 1.00 0.00 H new ATOM 0 HH TYR A 149 36.113 3.823 -16.436 1.00 0.00 H new ATOM 382 N TYR A 150 33.572 -1.525 -22.096 1.00 0.00 N ATOM 383 CA TYR A 150 32.193 -1.942 -21.872 1.00 0.00 C ATOM 384 C TYR A 150 32.132 -3.393 -21.403 1.00 0.00 C ATOM 385 O TYR A 150 31.195 -3.795 -20.714 1.00 0.00 O ATOM 386 CB TYR A 150 31.373 -1.773 -23.151 1.00 0.00 C ATOM 387 CG TYR A 150 29.940 -2.238 -23.018 1.00 0.00 C ATOM 388 CD1 TYR A 150 28.947 -1.372 -22.575 1.00 0.00 C ATOM 389 CD2 TYR A 150 29.579 -3.542 -23.333 1.00 0.00 C ATOM 390 CE1 TYR A 150 27.637 -1.792 -22.451 1.00 0.00 C ATOM 391 CE2 TYR A 150 28.271 -3.970 -23.212 1.00 0.00 C ATOM 392 CZ TYR A 150 27.304 -3.092 -22.771 1.00 0.00 C ATOM 393 OH TYR A 150 26.000 -3.515 -22.649 1.00 0.00 O ATOM 0 H TYR A 150 33.815 -1.380 -23.076 1.00 0.00 H new ATOM 0 HA TYR A 150 31.771 -1.309 -21.092 1.00 0.00 H new ATOM 0 HB2 TYR A 150 31.380 -0.722 -23.441 1.00 0.00 H new ATOM 0 HB3 TYR A 150 31.853 -2.329 -23.956 1.00 0.00 H new ATOM 0 HD1 TYR A 150 29.204 -0.354 -22.324 1.00 0.00 H new ATOM 0 HD2 TYR A 150 30.334 -4.233 -23.678 1.00 0.00 H new ATOM 0 HE1 TYR A 150 26.877 -1.106 -22.105 1.00 0.00 H new ATOM 0 HE2 TYR A 150 28.007 -4.987 -23.462 1.00 0.00 H new ATOM 0 HH TYR A 150 25.935 -4.456 -22.915 1.00 0.00 H new ATOM 403 N ARG A 151 33.140 -4.173 -21.782 1.00 0.00 N ATOM 404 CA ARG A 151 33.202 -5.579 -21.401 1.00 0.00 C ATOM 405 C ARG A 151 33.317 -5.728 -19.887 1.00 0.00 C ATOM 406 O ARG A 151 32.815 -6.691 -19.309 1.00 0.00 O ATOM 407 CB ARG A 151 34.389 -6.261 -22.083 1.00 0.00 C ATOM 408 CG ARG A 151 34.490 -7.748 -21.785 1.00 0.00 C ATOM 409 CD ARG A 151 35.920 -8.158 -21.470 1.00 0.00 C ATOM 410 NE ARG A 151 36.845 -7.780 -22.536 1.00 0.00 N ATOM 411 CZ ARG A 151 36.931 -8.422 -23.695 1.00 0.00 C ATOM 412 NH1 ARG A 151 36.152 -9.467 -23.938 1.00 0.00 N ATOM 413 NH2 ARG A 151 37.797 -8.018 -24.616 1.00 0.00 N ATOM 0 H ARG A 151 33.924 -3.855 -22.352 1.00 0.00 H new ATOM 0 HA ARG A 151 32.279 -6.059 -21.726 1.00 0.00 H new ATOM 0 HB2 ARG A 151 34.308 -6.120 -23.161 1.00 0.00 H new ATOM 0 HB3 ARG A 151 35.310 -5.772 -21.765 1.00 0.00 H new ATOM 0 HG2 ARG A 151 33.845 -7.996 -20.942 1.00 0.00 H new ATOM 0 HG3 ARG A 151 34.128 -8.317 -22.641 1.00 0.00 H new ATOM 0 HD2 ARG A 151 36.233 -7.692 -20.536 1.00 0.00 H new ATOM 0 HD3 ARG A 151 35.963 -9.237 -21.318 1.00 0.00 H new ATOM 0 HE ARG A 151 37.458 -6.979 -22.381 1.00 0.00 H new ATOM 0 HH11 ARG A 151 35.484 -9.780 -23.234 1.00 0.00 H new ATOM 0 HH12 ARG A 151 36.221 -9.958 -24.829 1.00 0.00 H new ATOM 0 HH21 ARG A 151 38.397 -7.214 -24.434 1.00 0.00 H new ATOM 0 HH22 ARG A 151 37.862 -8.512 -25.506 1.00 0.00 H new ATOM 427 N GLU A 152 33.981 -4.767 -19.252 1.00 0.00 N ATOM 428 CA GLU A 152 34.162 -4.794 -17.805 1.00 0.00 C ATOM 429 C GLU A 152 33.015 -4.075 -17.100 1.00 0.00 C ATOM 430 O GLU A 152 32.699 -4.370 -15.948 1.00 0.00 O ATOM 431 CB GLU A 152 35.495 -4.146 -17.424 1.00 0.00 C ATOM 432 CG GLU A 152 36.688 -4.725 -18.166 1.00 0.00 C ATOM 433 CD GLU A 152 37.841 -5.064 -17.242 1.00 0.00 C ATOM 434 OE1 GLU A 152 37.854 -6.186 -16.694 1.00 0.00 O ATOM 435 OE2 GLU A 152 38.733 -4.207 -17.069 1.00 0.00 O ATOM 0 H GLU A 152 34.402 -3.962 -19.716 1.00 0.00 H new ATOM 0 HA GLU A 152 34.167 -5.836 -17.484 1.00 0.00 H new ATOM 0 HB2 GLU A 152 35.439 -3.076 -17.623 1.00 0.00 H new ATOM 0 HB3 GLU A 152 35.653 -4.263 -16.352 1.00 0.00 H new ATOM 0 HG2 GLU A 152 36.378 -5.624 -18.699 1.00 0.00 H new ATOM 0 HG3 GLU A 152 37.026 -4.010 -18.916 1.00 0.00 H new ATOM 442 N ASN A 153 32.396 -3.131 -17.801 1.00 0.00 N ATOM 443 CA ASN A 153 31.285 -2.369 -17.242 1.00 0.00 C ATOM 444 C ASN A 153 30.000 -3.190 -17.258 1.00 0.00 C ATOM 445 O ASN A 153 29.200 -3.129 -16.325 1.00 0.00 O ATOM 446 CB ASN A 153 31.084 -1.071 -18.027 1.00 0.00 C ATOM 447 CG ASN A 153 31.765 0.114 -17.370 1.00 0.00 C ATOM 448 OD1 ASN A 153 31.108 1.062 -16.941 1.00 0.00 O ATOM 449 ND2 ASN A 153 33.090 0.064 -17.289 1.00 0.00 N ATOM 0 H ASN A 153 32.645 -2.875 -18.757 1.00 0.00 H new ATOM 0 HA ASN A 153 31.527 -2.126 -16.207 1.00 0.00 H new ATOM 0 HB2 ASN A 153 31.474 -1.196 -19.037 1.00 0.00 H new ATOM 0 HB3 ASN A 153 30.017 -0.868 -18.120 1.00 0.00 H new ATOM 0 HD21 ASN A 153 33.604 0.832 -16.857 1.00 0.00 H new ATOM 0 HD22 ASN A 153 33.593 -0.743 -17.658 1.00 0.00 H new ATOM 456 N MET A 154 29.809 -3.960 -18.325 1.00 0.00 N ATOM 457 CA MET A 154 28.622 -4.795 -18.462 1.00 0.00 C ATOM 458 C MET A 154 28.461 -5.713 -17.254 1.00 0.00 C ATOM 459 O MET A 154 27.344 -6.074 -16.880 1.00 0.00 O ATOM 460 CB MET A 154 28.703 -5.628 -19.742 1.00 0.00 C ATOM 461 CG MET A 154 29.974 -6.454 -19.851 1.00 0.00 C ATOM 462 SD MET A 154 29.650 -8.173 -20.288 1.00 0.00 S ATOM 463 CE MET A 154 29.614 -8.066 -22.076 1.00 0.00 C ATOM 0 H MET A 154 30.461 -4.023 -19.107 1.00 0.00 H new ATOM 0 HA MET A 154 27.752 -4.140 -18.518 1.00 0.00 H new ATOM 0 HB2 MET A 154 27.842 -6.294 -19.787 1.00 0.00 H new ATOM 0 HB3 MET A 154 28.637 -4.963 -20.603 1.00 0.00 H new ATOM 0 HG2 MET A 154 30.628 -6.010 -20.601 1.00 0.00 H new ATOM 0 HG3 MET A 154 30.508 -6.419 -18.901 1.00 0.00 H new ATOM 0 HE1 MET A 154 29.423 -9.054 -22.496 1.00 0.00 H new ATOM 0 HE2 MET A 154 28.824 -7.381 -22.384 1.00 0.00 H new ATOM 0 HE3 MET A 154 30.574 -7.698 -22.438 1.00 0.00 H new ATOM 473 N HIS A 155 29.583 -6.088 -16.647 1.00 0.00 N ATOM 474 CA HIS A 155 29.566 -6.964 -15.481 1.00 0.00 C ATOM 475 C HIS A 155 28.855 -6.293 -14.309 1.00 0.00 C ATOM 476 O HIS A 155 28.311 -6.967 -13.433 1.00 0.00 O ATOM 477 CB HIS A 155 30.992 -7.341 -15.079 1.00 0.00 C ATOM 478 CG HIS A 155 31.440 -8.660 -15.629 1.00 0.00 C ATOM 479 ND1 HIS A 155 32.291 -9.508 -14.953 1.00 0.00 N ATOM 480 CD2 HIS A 155 31.148 -9.277 -16.798 1.00 0.00 C ATOM 481 CE1 HIS A 155 32.505 -10.588 -15.682 1.00 0.00 C ATOM 482 NE2 HIS A 155 31.822 -10.473 -16.807 1.00 0.00 N ATOM 0 H HIS A 155 30.515 -5.799 -16.943 1.00 0.00 H new ATOM 0 HA HIS A 155 29.020 -7.870 -15.745 1.00 0.00 H new ATOM 0 HB2 HIS A 155 31.675 -6.563 -15.421 1.00 0.00 H new ATOM 0 HB3 HIS A 155 31.059 -7.368 -13.991 1.00 0.00 H new ATOM 0 HD2 HIS A 155 30.504 -8.899 -17.578 1.00 0.00 H new ATOM 0 HE1 HIS A 155 33.132 -11.423 -15.406 1.00 0.00 H new ATOM 0 HE2 HIS A 155 31.799 -11.161 -17.560 1.00 0.00 H new ATOM 490 N ARG A 156 28.864 -4.964 -14.299 1.00 0.00 N ATOM 491 CA ARG A 156 28.222 -4.204 -13.234 1.00 0.00 C ATOM 492 C ARG A 156 27.015 -3.436 -13.765 1.00 0.00 C ATOM 493 O ARG A 156 26.483 -2.553 -13.093 1.00 0.00 O ATOM 494 CB ARG A 156 29.219 -3.232 -12.600 1.00 0.00 C ATOM 495 CG ARG A 156 29.754 -2.191 -13.569 1.00 0.00 C ATOM 496 CD ARG A 156 30.457 -1.058 -12.837 1.00 0.00 C ATOM 497 NE ARG A 156 31.790 -1.443 -12.382 1.00 0.00 N ATOM 498 CZ ARG A 156 32.662 -0.590 -11.856 1.00 0.00 C ATOM 499 NH1 ARG A 156 32.343 0.689 -11.718 1.00 0.00 N ATOM 500 NH2 ARG A 156 33.856 -1.017 -11.466 1.00 0.00 N ATOM 0 H ARG A 156 29.309 -4.392 -15.017 1.00 0.00 H new ATOM 0 HA ARG A 156 27.878 -4.908 -12.476 1.00 0.00 H new ATOM 0 HB2 ARG A 156 28.737 -2.725 -11.764 1.00 0.00 H new ATOM 0 HB3 ARG A 156 30.055 -3.798 -12.190 1.00 0.00 H new ATOM 0 HG2 ARG A 156 30.448 -2.662 -14.264 1.00 0.00 H new ATOM 0 HG3 ARG A 156 28.933 -1.788 -14.162 1.00 0.00 H new ATOM 0 HD2 ARG A 156 30.535 -0.194 -13.497 1.00 0.00 H new ATOM 0 HD3 ARG A 156 29.856 -0.752 -11.981 1.00 0.00 H new ATOM 0 HE ARG A 156 32.067 -2.420 -12.473 1.00 0.00 H new ATOM 0 HH11 ARG A 156 31.426 1.021 -12.016 1.00 0.00 H new ATOM 0 HH12 ARG A 156 33.015 1.341 -11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 156 34.105 -2.001 -11.570 1.00 0.00 H new ATOM 0 HH22 ARG A 156 34.525 -0.362 -11.062 1.00 0.00 H new ATOM 514 N TYR A 157 26.589 -3.779 -14.976 1.00 0.00 N ATOM 515 CA TYR A 157 25.447 -3.120 -15.599 1.00 0.00 C ATOM 516 C TYR A 157 24.136 -3.624 -15.004 1.00 0.00 C ATOM 517 O TYR A 157 24.071 -4.692 -14.394 1.00 0.00 O ATOM 518 CB TYR A 157 25.458 -3.356 -17.110 1.00 0.00 C ATOM 519 CG TYR A 157 25.870 -2.141 -17.910 1.00 0.00 C ATOM 520 CD1 TYR A 157 26.938 -1.349 -17.507 1.00 0.00 C ATOM 521 CD2 TYR A 157 25.191 -1.785 -19.069 1.00 0.00 C ATOM 522 CE1 TYR A 157 27.317 -0.237 -18.234 1.00 0.00 C ATOM 523 CE2 TYR A 157 25.564 -0.676 -19.804 1.00 0.00 C ATOM 524 CZ TYR A 157 26.627 0.095 -19.382 1.00 0.00 C ATOM 525 OH TYR A 157 27.003 1.201 -20.110 1.00 0.00 O ATOM 0 H TYR A 157 27.017 -4.509 -15.545 1.00 0.00 H new ATOM 0 HA TYR A 157 25.526 -2.050 -15.404 1.00 0.00 H new ATOM 0 HB2 TYR A 157 26.138 -4.177 -17.336 1.00 0.00 H new ATOM 0 HB3 TYR A 157 24.463 -3.669 -17.427 1.00 0.00 H new ATOM 0 HD1 TYR A 157 27.481 -1.607 -16.610 1.00 0.00 H new ATOM 0 HD2 TYR A 157 24.357 -2.386 -19.401 1.00 0.00 H new ATOM 0 HE1 TYR A 157 28.149 0.369 -17.906 1.00 0.00 H new ATOM 0 HE2 TYR A 157 25.026 -0.414 -20.703 1.00 0.00 H new ATOM 0 HH TYR A 157 27.895 1.492 -19.826 1.00 0.00 H new ATOM 535 N PRO A 158 23.064 -2.838 -15.184 1.00 0.00 N ATOM 536 CA PRO A 158 21.734 -3.183 -14.674 1.00 0.00 C ATOM 537 C PRO A 158 21.116 -4.362 -15.418 1.00 0.00 C ATOM 538 O PRO A 158 21.448 -4.622 -16.573 1.00 0.00 O ATOM 539 CB PRO A 158 20.919 -1.910 -14.919 1.00 0.00 C ATOM 540 CG PRO A 158 21.607 -1.232 -16.053 1.00 0.00 C ATOM 541 CD PRO A 158 23.069 -1.551 -15.901 1.00 0.00 C ATOM 0 HA PRO A 158 21.766 -3.491 -13.629 1.00 0.00 H new ATOM 0 HB2 PRO A 158 19.884 -2.144 -15.167 1.00 0.00 H new ATOM 0 HB3 PRO A 158 20.899 -1.276 -14.032 1.00 0.00 H new ATOM 0 HG2 PRO A 158 21.227 -1.590 -17.010 1.00 0.00 H new ATOM 0 HG3 PRO A 158 21.437 -0.156 -16.025 1.00 0.00 H new ATOM 0 HD2 PRO A 158 23.565 -1.632 -16.868 1.00 0.00 H new ATOM 0 HD3 PRO A 158 23.592 -0.779 -15.337 1.00 0.00 H new ATOM 549 N ASN A 159 20.215 -5.072 -14.747 1.00 0.00 N ATOM 550 CA ASN A 159 19.550 -6.224 -15.345 1.00 0.00 C ATOM 551 C ASN A 159 18.034 -6.065 -15.292 1.00 0.00 C ATOM 552 O ASN A 159 17.299 -7.051 -15.239 1.00 0.00 O ATOM 553 CB ASN A 159 19.965 -7.509 -14.625 1.00 0.00 C ATOM 554 CG ASN A 159 19.756 -8.744 -15.480 1.00 0.00 C ATOM 555 OD1 ASN A 159 19.465 -8.645 -16.672 1.00 0.00 O ATOM 556 ND2 ASN A 159 19.904 -9.915 -14.873 1.00 0.00 N ATOM 0 H ASN A 159 19.929 -4.870 -13.789 1.00 0.00 H new ATOM 0 HA ASN A 159 19.855 -6.286 -16.390 1.00 0.00 H new ATOM 0 HB2 ASN A 159 21.015 -7.440 -14.341 1.00 0.00 H new ATOM 0 HB3 ASN A 159 19.392 -7.607 -13.703 1.00 0.00 H new ATOM 0 HD21 ASN A 159 19.776 -10.781 -15.397 1.00 0.00 H new ATOM 0 HD22 ASN A 159 20.146 -9.949 -13.883 1.00 0.00 H new ATOM 563 N GLN A 160 17.574 -4.819 -15.307 1.00 0.00 N ATOM 564 CA GLN A 160 16.145 -4.531 -15.261 1.00 0.00 C ATOM 565 C GLN A 160 15.889 -3.029 -15.330 1.00 0.00 C ATOM 566 O GLN A 160 16.810 -2.225 -15.187 1.00 0.00 O ATOM 567 CB GLN A 160 15.529 -5.107 -13.985 1.00 0.00 C ATOM 568 CG GLN A 160 14.316 -5.989 -14.239 1.00 0.00 C ATOM 569 CD GLN A 160 13.928 -6.811 -13.026 1.00 0.00 C ATOM 570 OE1 GLN A 160 13.006 -6.457 -12.290 1.00 0.00 O ATOM 571 NE2 GLN A 160 14.631 -7.916 -12.810 1.00 0.00 N ATOM 0 H GLN A 160 18.170 -3.992 -15.351 1.00 0.00 H new ATOM 0 HA GLN A 160 15.677 -5.000 -16.127 1.00 0.00 H new ATOM 0 HB2 GLN A 160 16.285 -5.687 -13.456 1.00 0.00 H new ATOM 0 HB3 GLN A 160 15.240 -4.286 -13.328 1.00 0.00 H new ATOM 0 HG2 GLN A 160 13.473 -5.365 -14.535 1.00 0.00 H new ATOM 0 HG3 GLN A 160 14.526 -6.657 -15.074 1.00 0.00 H new ATOM 0 HE21 GLN A 160 15.387 -8.172 -13.445 1.00 0.00 H new ATOM 0 HE22 GLN A 160 14.415 -8.509 -12.009 1.00 0.00 H new ATOM 580 N VAL A 161 14.632 -2.658 -15.551 1.00 0.00 N ATOM 581 CA VAL A 161 14.254 -1.252 -15.639 1.00 0.00 C ATOM 582 C VAL A 161 13.065 -0.945 -14.737 1.00 0.00 C ATOM 583 O VAL A 161 12.087 -1.692 -14.705 1.00 0.00 O ATOM 584 CB VAL A 161 13.904 -0.855 -17.085 1.00 0.00 C ATOM 585 CG1 VAL A 161 15.099 -1.065 -18.002 1.00 0.00 C ATOM 586 CG2 VAL A 161 12.699 -1.644 -17.577 1.00 0.00 C ATOM 0 H VAL A 161 13.858 -3.311 -15.672 1.00 0.00 H new ATOM 0 HA VAL A 161 15.115 -0.671 -15.309 1.00 0.00 H new ATOM 0 HB VAL A 161 13.648 0.204 -17.100 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.832 -0.779 -19.019 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.933 -0.452 -17.660 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.390 -2.115 -17.985 1.00 0.00 H new ATOM 0 HG21 VAL A 161 12.465 -1.351 -18.601 1.00 0.00 H new ATOM 0 HG22 VAL A 161 12.925 -2.710 -17.547 1.00 0.00 H new ATOM 0 HG23 VAL A 161 11.842 -1.437 -16.936 1.00 0.00 H new ATOM 596 N TYR A 162 13.155 0.159 -14.004 1.00 0.00 N ATOM 597 CA TYR A 162 12.087 0.565 -13.099 1.00 0.00 C ATOM 598 C TYR A 162 11.048 1.412 -13.827 1.00 0.00 C ATOM 599 O TYR A 162 11.389 2.262 -14.650 1.00 0.00 O ATOM 600 CB TYR A 162 12.662 1.348 -11.917 1.00 0.00 C ATOM 601 CG TYR A 162 13.361 0.477 -10.897 1.00 0.00 C ATOM 602 CD1 TYR A 162 14.579 -0.125 -11.186 1.00 0.00 C ATOM 603 CD2 TYR A 162 12.803 0.258 -9.643 1.00 0.00 C ATOM 604 CE1 TYR A 162 15.220 -0.921 -10.257 1.00 0.00 C ATOM 605 CE2 TYR A 162 13.438 -0.536 -8.707 1.00 0.00 C ATOM 606 CZ TYR A 162 14.646 -1.124 -9.019 1.00 0.00 C ATOM 607 OH TYR A 162 15.282 -1.915 -8.091 1.00 0.00 O ATOM 0 H TYR A 162 13.957 0.789 -14.019 1.00 0.00 H new ATOM 0 HA TYR A 162 11.599 -0.336 -12.727 1.00 0.00 H new ATOM 0 HB2 TYR A 162 13.366 2.091 -12.292 1.00 0.00 H new ATOM 0 HB3 TYR A 162 11.856 1.893 -11.426 1.00 0.00 H new ATOM 0 HD1 TYR A 162 15.032 0.032 -12.154 1.00 0.00 H new ATOM 0 HD2 TYR A 162 11.857 0.716 -9.396 1.00 0.00 H new ATOM 0 HE1 TYR A 162 16.166 -1.382 -10.499 1.00 0.00 H new ATOM 0 HE2 TYR A 162 12.991 -0.695 -7.737 1.00 0.00 H new ATOM 0 HH TYR A 162 14.746 -1.954 -7.272 1.00 0.00 H new ATOM 797 N ASN A 174 6.620 9.666 -25.559 1.00 0.00 N ATOM 798 CA ASN A 174 7.596 10.503 -24.872 1.00 0.00 C ATOM 799 C ASN A 174 8.028 9.866 -23.555 1.00 0.00 C ATOM 800 O ASN A 174 9.156 10.059 -23.100 1.00 0.00 O ATOM 801 CB ASN A 174 7.012 11.894 -24.611 1.00 0.00 C ATOM 802 CG ASN A 174 8.082 12.966 -24.542 1.00 0.00 C ATOM 803 OD1 ASN A 174 9.218 12.700 -24.149 1.00 0.00 O ATOM 804 ND2 ASN A 174 7.723 14.186 -24.924 1.00 0.00 N ATOM 0 HA ASN A 174 8.472 10.598 -25.514 1.00 0.00 H new ATOM 0 HB2 ASN A 174 6.304 12.142 -25.401 1.00 0.00 H new ATOM 0 HB3 ASN A 174 6.454 11.881 -23.675 1.00 0.00 H new ATOM 0 HD21 ASN A 174 8.400 14.948 -24.899 1.00 0.00 H new ATOM 0 HD22 ASN A 174 6.770 14.361 -25.243 1.00 0.00 H new ATOM 811 N PHE A 175 7.123 9.106 -22.947 1.00 0.00 N ATOM 812 CA PHE A 175 7.410 8.440 -21.682 1.00 0.00 C ATOM 813 C PHE A 175 8.556 7.444 -21.839 1.00 0.00 C ATOM 814 O PHE A 175 9.296 7.177 -20.892 1.00 0.00 O ATOM 815 CB PHE A 175 6.162 7.721 -21.165 1.00 0.00 C ATOM 816 CG PHE A 175 5.971 7.846 -19.680 1.00 0.00 C ATOM 817 CD1 PHE A 175 5.686 9.075 -19.106 1.00 0.00 C ATOM 818 CD2 PHE A 175 6.075 6.735 -18.859 1.00 0.00 C ATOM 819 CE1 PHE A 175 5.508 9.193 -17.740 1.00 0.00 C ATOM 820 CE2 PHE A 175 5.899 6.847 -17.493 1.00 0.00 C ATOM 821 CZ PHE A 175 5.616 8.078 -16.933 1.00 0.00 C ATOM 0 H PHE A 175 6.185 8.936 -23.310 1.00 0.00 H new ATOM 0 HA PHE A 175 7.709 9.200 -20.960 1.00 0.00 H new ATOM 0 HB2 PHE A 175 5.285 8.123 -21.671 1.00 0.00 H new ATOM 0 HB3 PHE A 175 6.226 6.665 -21.428 1.00 0.00 H new ATOM 0 HD1 PHE A 175 5.602 9.950 -19.733 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.296 5.770 -19.291 1.00 0.00 H new ATOM 0 HE1 PHE A 175 5.285 10.156 -17.305 1.00 0.00 H new ATOM 0 HE2 PHE A 175 5.983 5.973 -16.864 1.00 0.00 H new ATOM 0 HZ PHE A 175 5.479 8.168 -15.865 1.00 0.00 H new ATOM 831 N VAL A 176 8.695 6.896 -23.042 1.00 0.00 N ATOM 832 CA VAL A 176 9.750 5.930 -23.324 1.00 0.00 C ATOM 833 C VAL A 176 11.126 6.516 -23.028 1.00 0.00 C ATOM 834 O VAL A 176 12.012 5.825 -22.525 1.00 0.00 O ATOM 835 CB VAL A 176 9.707 5.466 -24.792 1.00 0.00 C ATOM 836 CG1 VAL A 176 10.757 4.394 -25.045 1.00 0.00 C ATOM 837 CG2 VAL A 176 8.318 4.958 -25.150 1.00 0.00 C ATOM 0 H VAL A 176 8.090 7.104 -23.837 1.00 0.00 H new ATOM 0 HA VAL A 176 9.576 5.073 -22.674 1.00 0.00 H new ATOM 0 HB VAL A 176 9.933 6.320 -25.431 1.00 0.00 H new ATOM 0 HG11 VAL A 176 10.711 4.079 -26.087 1.00 0.00 H new ATOM 0 HG12 VAL A 176 11.747 4.797 -24.831 1.00 0.00 H new ATOM 0 HG13 VAL A 176 10.566 3.538 -24.398 1.00 0.00 H new ATOM 0 HG21 VAL A 176 8.306 4.634 -26.191 1.00 0.00 H new ATOM 0 HG22 VAL A 176 8.061 4.117 -24.506 1.00 0.00 H new ATOM 0 HG23 VAL A 176 7.591 5.758 -25.010 1.00 0.00 H new ATOM 847 N HIS A 177 11.298 7.796 -23.343 1.00 0.00 N ATOM 848 CA HIS A 177 12.567 8.477 -23.110 1.00 0.00 C ATOM 849 C HIS A 177 12.811 8.674 -21.616 1.00 0.00 C ATOM 850 O HIS A 177 13.906 8.417 -21.118 1.00 0.00 O ATOM 851 CB HIS A 177 12.583 9.829 -23.824 1.00 0.00 C ATOM 852 CG HIS A 177 12.433 9.723 -25.310 1.00 0.00 C ATOM 853 ND1 HIS A 177 13.214 8.895 -26.089 1.00 0.00 N ATOM 854 CD2 HIS A 177 11.583 10.345 -26.160 1.00 0.00 C ATOM 855 CE1 HIS A 177 12.853 9.015 -27.354 1.00 0.00 C ATOM 856 NE2 HIS A 177 11.864 9.888 -27.424 1.00 0.00 N ATOM 0 H HIS A 177 10.575 8.382 -23.760 1.00 0.00 H new ATOM 0 HA HIS A 177 13.365 7.853 -23.512 1.00 0.00 H new ATOM 0 HB2 HIS A 177 11.778 10.449 -23.429 1.00 0.00 H new ATOM 0 HB3 HIS A 177 13.519 10.339 -23.597 1.00 0.00 H new ATOM 0 HD2 HIS A 177 10.825 11.067 -25.894 1.00 0.00 H new ATOM 0 HE1 HIS A 177 13.292 8.489 -28.189 1.00 0.00 H new ATOM 0 HE2 HIS A 177 11.387 10.176 -28.278 1.00 0.00 H new ATOM 864 N ASN A 178 11.783 9.132 -20.909 1.00 0.00 N ATOM 865 CA ASN A 178 11.887 9.365 -19.473 1.00 0.00 C ATOM 866 C ASN A 178 12.157 8.061 -18.729 1.00 0.00 C ATOM 867 O ASN A 178 12.953 8.022 -17.790 1.00 0.00 O ATOM 868 CB ASN A 178 10.604 10.010 -18.946 1.00 0.00 C ATOM 869 CG ASN A 178 10.754 11.504 -18.730 1.00 0.00 C ATOM 870 OD1 ASN A 178 11.690 12.124 -19.234 1.00 0.00 O ATOM 871 ND2 ASN A 178 9.830 12.088 -17.976 1.00 0.00 N ATOM 0 H ASN A 178 10.869 9.349 -21.307 1.00 0.00 H new ATOM 0 HA ASN A 178 12.724 10.042 -19.299 1.00 0.00 H new ATOM 0 HB2 ASN A 178 9.793 9.827 -19.651 1.00 0.00 H new ATOM 0 HB3 ASN A 178 10.322 9.536 -18.006 1.00 0.00 H new ATOM 0 HD21 ASN A 178 9.879 13.091 -17.794 1.00 0.00 H new ATOM 0 HD22 ASN A 178 9.071 11.534 -17.579 1.00 0.00 H new ATOM 878 N CYS A 179 11.488 6.994 -19.154 1.00 0.00 N ATOM 879 CA CYS A 179 11.654 5.688 -18.529 1.00 0.00 C ATOM 880 C CYS A 179 13.125 5.283 -18.498 1.00 0.00 C ATOM 881 O CYS A 179 13.568 4.577 -17.592 1.00 0.00 O ATOM 882 CB CYS A 179 10.839 4.633 -19.279 1.00 0.00 C ATOM 883 SG CYS A 179 10.387 3.185 -18.269 1.00 0.00 S ATOM 0 H CYS A 179 10.825 7.009 -19.929 1.00 0.00 H new ATOM 0 HA CYS A 179 11.292 5.755 -17.503 1.00 0.00 H new ATOM 0 HB2 CYS A 179 9.928 5.096 -19.659 1.00 0.00 H new ATOM 0 HB3 CYS A 179 11.410 4.295 -20.144 1.00 0.00 H new ATOM 0 HG CYS A 179 10.878 2.109 -18.809 1.00 0.00 H new ATOM 888 N VAL A 180 13.879 5.735 -19.496 1.00 0.00 N ATOM 889 CA VAL A 180 15.300 5.421 -19.584 1.00 0.00 C ATOM 890 C VAL A 180 16.089 6.137 -18.493 1.00 0.00 C ATOM 891 O VAL A 180 17.071 5.607 -17.975 1.00 0.00 O ATOM 892 CB VAL A 180 15.877 5.810 -20.958 1.00 0.00 C ATOM 893 CG1 VAL A 180 17.329 5.374 -21.070 1.00 0.00 C ATOM 894 CG2 VAL A 180 15.041 5.205 -22.076 1.00 0.00 C ATOM 0 H VAL A 180 13.529 6.320 -20.255 1.00 0.00 H new ATOM 0 HA VAL A 180 15.395 4.343 -19.450 1.00 0.00 H new ATOM 0 HB VAL A 180 15.841 6.895 -21.055 1.00 0.00 H new ATOM 0 HG11 VAL A 180 17.720 5.657 -22.047 1.00 0.00 H new ATOM 0 HG12 VAL A 180 17.916 5.859 -20.290 1.00 0.00 H new ATOM 0 HG13 VAL A 180 17.394 4.292 -20.953 1.00 0.00 H new ATOM 0 HG21 VAL A 180 15.462 5.490 -23.040 1.00 0.00 H new ATOM 0 HG22 VAL A 180 15.044 4.119 -21.985 1.00 0.00 H new ATOM 0 HG23 VAL A 180 14.017 5.573 -22.005 1.00 0.00 H new ATOM 904 N ASN A 181 15.651 7.343 -18.148 1.00 0.00 N ATOM 905 CA ASN A 181 16.316 8.132 -17.118 1.00 0.00 C ATOM 906 C ASN A 181 16.004 7.586 -15.728 1.00 0.00 C ATOM 907 O ASN A 181 16.835 7.656 -14.821 1.00 0.00 O ATOM 908 CB ASN A 181 15.886 9.598 -17.211 1.00 0.00 C ATOM 909 CG ASN A 181 17.023 10.554 -16.907 1.00 0.00 C ATOM 910 OD1 ASN A 181 17.855 10.291 -16.039 1.00 0.00 O ATOM 911 ND2 ASN A 181 17.062 11.672 -17.623 1.00 0.00 N ATOM 0 H ASN A 181 14.838 7.795 -18.567 1.00 0.00 H new ATOM 0 HA ASN A 181 17.391 8.065 -17.282 1.00 0.00 H new ATOM 0 HB2 ASN A 181 15.504 9.799 -18.212 1.00 0.00 H new ATOM 0 HB3 ASN A 181 15.067 9.779 -16.515 1.00 0.00 H new ATOM 0 HD21 ASN A 181 17.803 12.354 -17.463 1.00 0.00 H new ATOM 0 HD22 ASN A 181 16.351 11.848 -18.333 1.00 0.00 H new ATOM 918 N ILE A 182 14.802 7.043 -15.568 1.00 0.00 N ATOM 919 CA ILE A 182 14.381 6.484 -14.289 1.00 0.00 C ATOM 920 C ILE A 182 15.241 5.286 -13.903 1.00 0.00 C ATOM 921 O ILE A 182 15.483 5.035 -12.722 1.00 0.00 O ATOM 922 CB ILE A 182 12.903 6.051 -14.324 1.00 0.00 C ATOM 923 CG1 ILE A 182 12.009 7.239 -14.684 1.00 0.00 C ATOM 924 CG2 ILE A 182 12.493 5.460 -12.983 1.00 0.00 C ATOM 925 CD1 ILE A 182 10.567 6.856 -14.932 1.00 0.00 C ATOM 0 H ILE A 182 14.103 6.978 -16.308 1.00 0.00 H new ATOM 0 HA ILE A 182 14.504 7.271 -13.545 1.00 0.00 H new ATOM 0 HB ILE A 182 12.782 5.285 -15.090 1.00 0.00 H new ATOM 0 HG12 ILE A 182 12.049 7.971 -13.877 1.00 0.00 H new ATOM 0 HG13 ILE A 182 12.406 7.725 -15.575 1.00 0.00 H new ATOM 0 HG21 ILE A 182 11.446 5.159 -13.023 1.00 0.00 H new ATOM 0 HG22 ILE A 182 13.113 4.591 -12.764 1.00 0.00 H new ATOM 0 HG23 ILE A 182 12.626 6.207 -12.200 1.00 0.00 H new ATOM 0 HD11 ILE A 182 9.992 7.747 -15.182 1.00 0.00 H new ATOM 0 HD12 ILE A 182 10.516 6.147 -15.759 1.00 0.00 H new ATOM 0 HD13 ILE A 182 10.153 6.397 -14.034 1.00 0.00 H new ATOM 937 N THR A 183 15.704 4.548 -14.908 1.00 0.00 N ATOM 938 CA THR A 183 16.539 3.376 -14.675 1.00 0.00 C ATOM 939 C THR A 183 17.803 3.746 -13.907 1.00 0.00 C ATOM 940 O THR A 183 18.091 3.173 -12.856 1.00 0.00 O ATOM 941 CB THR A 183 16.936 2.696 -15.999 1.00 0.00 C ATOM 942 OG1 THR A 183 15.762 2.287 -16.710 1.00 0.00 O ATOM 943 CG2 THR A 183 17.826 1.490 -15.742 1.00 0.00 C ATOM 0 H THR A 183 15.514 4.742 -15.891 1.00 0.00 H new ATOM 0 HA THR A 183 15.947 2.679 -14.081 1.00 0.00 H new ATOM 0 HB THR A 183 17.492 3.416 -16.600 1.00 0.00 H new ATOM 0 HG1 THR A 183 15.230 3.076 -16.944 1.00 0.00 H new ATOM 0 HG21 THR A 183 18.093 1.026 -16.691 1.00 0.00 H new ATOM 0 HG22 THR A 183 18.732 1.809 -15.226 1.00 0.00 H new ATOM 0 HG23 THR A 183 17.292 0.769 -15.124 1.00 0.00 H new ATOM 951 N ILE A 184 18.553 4.705 -14.439 1.00 0.00 N ATOM 952 CA ILE A 184 19.785 5.152 -13.802 1.00 0.00 C ATOM 953 C ILE A 184 19.492 5.969 -12.549 1.00 0.00 C ATOM 954 O ILE A 184 20.262 5.954 -11.588 1.00 0.00 O ATOM 955 CB ILE A 184 20.642 5.997 -14.763 1.00 0.00 C ATOM 956 CG1 ILE A 184 20.953 5.204 -16.034 1.00 0.00 C ATOM 957 CG2 ILE A 184 21.927 6.438 -14.079 1.00 0.00 C ATOM 958 CD1 ILE A 184 20.127 5.628 -17.229 1.00 0.00 C ATOM 0 H ILE A 184 18.329 5.187 -15.309 1.00 0.00 H new ATOM 0 HA ILE A 184 20.340 4.255 -13.526 1.00 0.00 H new ATOM 0 HB ILE A 184 20.079 6.888 -15.041 1.00 0.00 H new ATOM 0 HG12 ILE A 184 22.010 5.318 -16.274 1.00 0.00 H new ATOM 0 HG13 ILE A 184 20.783 4.145 -15.842 1.00 0.00 H new ATOM 0 HG21 ILE A 184 22.522 7.034 -14.771 1.00 0.00 H new ATOM 0 HG22 ILE A 184 21.685 7.036 -13.201 1.00 0.00 H new ATOM 0 HG23 ILE A 184 22.497 5.560 -13.774 1.00 0.00 H new ATOM 0 HD11 ILE A 184 20.401 5.023 -18.094 1.00 0.00 H new ATOM 0 HD12 ILE A 184 19.069 5.487 -17.008 1.00 0.00 H new ATOM 0 HD13 ILE A 184 20.315 6.679 -17.447 1.00 0.00 H new ATOM 970 N LYS A 185 18.371 6.682 -12.563 1.00 0.00 N ATOM 971 CA LYS A 185 17.971 7.505 -11.427 1.00 0.00 C ATOM 972 C LYS A 185 17.977 6.691 -10.138 1.00 0.00 C ATOM 973 O LYS A 185 18.701 7.010 -9.195 1.00 0.00 O ATOM 974 CB LYS A 185 16.580 8.096 -11.664 1.00 0.00 C ATOM 975 CG LYS A 185 16.229 9.226 -10.712 1.00 0.00 C ATOM 976 CD LYS A 185 14.814 9.086 -10.176 1.00 0.00 C ATOM 977 CE LYS A 185 14.442 10.252 -9.273 1.00 0.00 C ATOM 978 NZ LYS A 185 15.187 10.216 -7.985 1.00 0.00 N ATOM 0 H LYS A 185 17.722 6.707 -13.350 1.00 0.00 H new ATOM 0 HA LYS A 185 18.691 8.317 -11.326 1.00 0.00 H new ATOM 0 HB2 LYS A 185 16.520 8.463 -12.688 1.00 0.00 H new ATOM 0 HB3 LYS A 185 15.837 7.305 -11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 185 16.934 9.235 -9.881 1.00 0.00 H new ATOM 0 HG3 LYS A 185 16.331 10.181 -11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 185 14.112 9.031 -11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 185 14.725 8.152 -9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 185 14.651 11.190 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 185 13.371 10.229 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 14.856 10.988 -7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 15.022 9.304 -7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 16.204 10.332 -8.169 1.00 0.00 H new ATOM 992 N GLN A 186 17.166 5.638 -10.104 1.00 0.00 N ATOM 993 CA GLN A 186 17.080 4.778 -8.929 1.00 0.00 C ATOM 994 C GLN A 186 18.391 4.034 -8.702 1.00 0.00 C ATOM 995 O GLN A 186 18.713 3.653 -7.576 1.00 0.00 O ATOM 996 CB GLN A 186 15.933 3.779 -9.086 1.00 0.00 C ATOM 997 CG GLN A 186 14.570 4.435 -9.243 1.00 0.00 C ATOM 998 CD GLN A 186 14.171 5.247 -8.027 1.00 0.00 C ATOM 999 OE1 GLN A 186 14.666 5.018 -6.923 1.00 0.00 O ATOM 1000 NE2 GLN A 186 13.271 6.203 -8.222 1.00 0.00 N ATOM 0 H GLN A 186 16.560 5.360 -10.876 1.00 0.00 H new ATOM 0 HA GLN A 186 16.887 5.409 -8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 186 16.126 3.150 -9.955 1.00 0.00 H new ATOM 0 HB3 GLN A 186 15.913 3.123 -8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 186 14.581 5.082 -10.120 1.00 0.00 H new ATOM 0 HG3 GLN A 186 13.819 3.666 -9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 186 12.886 6.359 -9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 186 12.964 6.782 -7.440 1.00 0.00 H new ATOM 1009 N HIS A 187 19.144 3.829 -9.778 1.00 0.00 N ATOM 1010 CA HIS A 187 20.422 3.130 -9.695 1.00 0.00 C ATOM 1011 C HIS A 187 21.436 3.945 -8.898 1.00 0.00 C ATOM 1012 O HIS A 187 22.145 3.410 -8.045 1.00 0.00 O ATOM 1013 CB HIS A 187 20.964 2.848 -11.096 1.00 0.00 C ATOM 1014 CG HIS A 187 21.858 1.648 -11.162 1.00 0.00 C ATOM 1015 ND1 HIS A 187 22.853 1.501 -12.105 1.00 0.00 N ATOM 1016 CD2 HIS A 187 21.904 0.535 -10.393 1.00 0.00 C ATOM 1017 CE1 HIS A 187 23.471 0.349 -11.915 1.00 0.00 C ATOM 1018 NE2 HIS A 187 22.914 -0.256 -10.881 1.00 0.00 N ATOM 0 H HIS A 187 18.892 4.137 -10.717 1.00 0.00 H new ATOM 0 HA HIS A 187 20.258 2.183 -9.180 1.00 0.00 H new ATOM 0 HB2 HIS A 187 20.126 2.705 -11.779 1.00 0.00 H new ATOM 0 HB3 HIS A 187 21.515 3.721 -11.446 1.00 0.00 H new ATOM 0 HD2 HIS A 187 21.265 0.311 -9.552 1.00 0.00 H new ATOM 0 HE1 HIS A 187 24.291 -0.033 -12.504 1.00 0.00 H new ATOM 0 HE2 HIS A 187 23.190 -1.164 -10.506 1.00 0.00 H new ATOM 1026 N THR A 188 21.502 5.242 -9.183 1.00 0.00 N ATOM 1027 CA THR A 188 22.431 6.129 -8.495 1.00 0.00 C ATOM 1028 C THR A 188 22.240 6.061 -6.984 1.00 0.00 C ATOM 1029 O THR A 188 23.180 6.280 -6.220 1.00 0.00 O ATOM 1030 CB THR A 188 22.259 7.589 -8.957 1.00 0.00 C ATOM 1031 OG1 THR A 188 21.145 7.692 -9.851 1.00 0.00 O ATOM 1032 CG2 THR A 188 23.518 8.090 -9.648 1.00 0.00 C ATOM 0 H THR A 188 20.923 5.701 -9.886 1.00 0.00 H new ATOM 0 HA THR A 188 23.436 5.791 -8.747 1.00 0.00 H new ATOM 0 HB THR A 188 22.077 8.206 -8.077 1.00 0.00 H new ATOM 0 HG1 THR A 188 20.317 7.490 -9.367 1.00 0.00 H new ATOM 0 HG21 THR A 188 23.373 9.123 -9.965 1.00 0.00 H new ATOM 0 HG22 THR A 188 24.358 8.038 -8.956 1.00 0.00 H new ATOM 0 HG23 THR A 188 23.727 7.469 -10.519 1.00 0.00 H new ATOM 1040 N VAL A 189 21.019 5.753 -6.560 1.00 0.00 N ATOM 1041 CA VAL A 189 20.706 5.654 -5.139 1.00 0.00 C ATOM 1042 C VAL A 189 21.603 4.633 -4.449 1.00 0.00 C ATOM 1043 O VAL A 189 22.311 4.956 -3.494 1.00 0.00 O ATOM 1044 CB VAL A 189 19.233 5.261 -4.915 1.00 0.00 C ATOM 1045 CG1 VAL A 189 18.916 5.203 -3.429 1.00 0.00 C ATOM 1046 CG2 VAL A 189 18.308 6.234 -5.629 1.00 0.00 C ATOM 0 H VAL A 189 20.230 5.568 -7.180 1.00 0.00 H new ATOM 0 HA VAL A 189 20.882 6.639 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 189 19.072 4.268 -5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 189 17.871 4.924 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 189 19.556 4.463 -2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 189 19.093 6.181 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 189 17.272 5.941 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 189 18.469 7.240 -5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 189 18.520 6.219 -6.698 1.00 0.00 H new ATOM 1056 N THR A 190 21.571 3.397 -4.938 1.00 0.00 N ATOM 1057 CA THR A 190 22.381 2.328 -4.369 1.00 0.00 C ATOM 1058 C THR A 190 23.857 2.524 -4.694 1.00 0.00 C ATOM 1059 O THR A 190 24.732 2.055 -3.966 1.00 0.00 O ATOM 1060 CB THR A 190 21.932 0.948 -4.884 1.00 0.00 C ATOM 1061 OG1 THR A 190 20.545 0.742 -4.590 1.00 0.00 O ATOM 1062 CG2 THR A 190 22.759 -0.161 -4.252 1.00 0.00 C ATOM 0 H THR A 190 20.992 3.112 -5.728 1.00 0.00 H new ATOM 0 HA THR A 190 22.242 2.367 -3.289 1.00 0.00 H new ATOM 0 HB THR A 190 22.082 0.922 -5.963 1.00 0.00 H new ATOM 0 HG1 THR A 190 20.267 -0.137 -4.922 1.00 0.00 H new ATOM 0 HG21 THR A 190 22.423 -1.126 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 190 23.810 -0.018 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 190 22.637 -0.134 -3.169 1.00 0.00 H new ATOM 1070 N THR A 191 24.129 3.220 -5.794 1.00 0.00 N ATOM 1071 CA THR A 191 25.500 3.478 -6.216 1.00 0.00 C ATOM 1072 C THR A 191 26.301 4.147 -5.105 1.00 0.00 C ATOM 1073 O THR A 191 27.525 4.026 -5.048 1.00 0.00 O ATOM 1074 CB THR A 191 25.543 4.367 -7.472 1.00 0.00 C ATOM 1075 OG1 THR A 191 24.839 3.733 -8.546 1.00 0.00 O ATOM 1076 CG2 THR A 191 26.979 4.641 -7.893 1.00 0.00 C ATOM 0 H THR A 191 23.417 3.615 -6.409 1.00 0.00 H new ATOM 0 HA THR A 191 25.946 2.511 -6.449 1.00 0.00 H new ATOM 0 HB THR A 191 25.063 5.316 -7.234 1.00 0.00 H new ATOM 0 HG1 THR A 191 23.892 3.645 -8.310 1.00 0.00 H new ATOM 0 HG21 THR A 191 26.983 5.271 -8.782 1.00 0.00 H new ATOM 0 HG22 THR A 191 27.504 5.150 -7.085 1.00 0.00 H new ATOM 0 HG23 THR A 191 27.480 3.698 -8.114 1.00 0.00 H new ATOM 1084 N THR A 192 25.603 4.855 -4.222 1.00 0.00 N ATOM 1085 CA THR A 192 26.249 5.544 -3.113 1.00 0.00 C ATOM 1086 C THR A 192 27.097 4.583 -2.287 1.00 0.00 C ATOM 1087 O THR A 192 28.081 4.984 -1.665 1.00 0.00 O ATOM 1088 CB THR A 192 25.215 6.219 -2.192 1.00 0.00 C ATOM 1089 OG1 THR A 192 25.880 7.054 -1.237 1.00 0.00 O ATOM 1090 CG2 THR A 192 24.376 5.178 -1.466 1.00 0.00 C ATOM 0 H THR A 192 24.590 4.966 -4.254 1.00 0.00 H new ATOM 0 HA THR A 192 26.892 6.309 -3.548 1.00 0.00 H new ATOM 0 HB THR A 192 24.555 6.829 -2.809 1.00 0.00 H new ATOM 0 HG1 THR A 192 25.215 7.480 -0.657 1.00 0.00 H new ATOM 0 HG21 THR A 192 23.653 5.678 -0.822 1.00 0.00 H new ATOM 0 HG22 THR A 192 23.848 4.563 -2.195 1.00 0.00 H new ATOM 0 HG23 THR A 192 25.025 4.545 -0.860 1.00 0.00 H new ATOM 1098 N THR A 193 26.711 3.311 -2.287 1.00 0.00 N ATOM 1099 CA THR A 193 27.435 2.292 -1.537 1.00 0.00 C ATOM 1100 C THR A 193 28.841 2.097 -2.093 1.00 0.00 C ATOM 1101 O THR A 193 29.781 1.816 -1.350 1.00 0.00 O ATOM 1102 CB THR A 193 26.693 0.943 -1.562 1.00 0.00 C ATOM 1103 OG1 THR A 193 25.278 1.161 -1.541 1.00 0.00 O ATOM 1104 CG2 THR A 193 27.097 0.082 -0.375 1.00 0.00 C ATOM 0 H THR A 193 25.901 2.962 -2.798 1.00 0.00 H new ATOM 0 HA THR A 193 27.500 2.643 -0.507 1.00 0.00 H new ATOM 0 HB THR A 193 26.965 0.420 -2.479 1.00 0.00 H new ATOM 0 HG1 THR A 193 24.962 1.345 -2.450 1.00 0.00 H new ATOM 0 HG21 THR A 193 26.560 -0.866 -0.414 1.00 0.00 H new ATOM 0 HG22 THR A 193 28.170 -0.107 -0.411 1.00 0.00 H new ATOM 0 HG23 THR A 193 26.851 0.601 0.551 1.00 0.00 H new ATOM 1112 N LYS A 194 28.979 2.248 -3.406 1.00 0.00 N ATOM 1113 CA LYS A 194 30.271 2.090 -4.063 1.00 0.00 C ATOM 1114 C LYS A 194 31.083 3.379 -3.984 1.00 0.00 C ATOM 1115 O LYS A 194 32.282 3.387 -4.259 1.00 0.00 O ATOM 1116 CB LYS A 194 30.077 1.687 -5.527 1.00 0.00 C ATOM 1117 CG LYS A 194 30.639 0.316 -5.860 1.00 0.00 C ATOM 1118 CD LYS A 194 29.950 -0.778 -5.061 1.00 0.00 C ATOM 1119 CE LYS A 194 30.325 -2.161 -5.571 1.00 0.00 C ATOM 1120 NZ LYS A 194 30.774 -3.056 -4.469 1.00 0.00 N ATOM 0 H LYS A 194 28.211 2.480 -4.036 1.00 0.00 H new ATOM 0 HA LYS A 194 30.819 1.303 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 194 29.012 1.701 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 194 30.553 2.431 -6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 194 30.518 0.121 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 194 31.709 0.300 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 194 30.224 -0.690 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 194 28.869 -0.648 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 194 29.467 -2.607 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 194 31.119 -2.072 -6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 31.020 -3.989 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 31.608 -2.643 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 30.008 -3.162 -3.774 1.00 0.00 H new ATOM 1134 N GLY A 195 30.421 4.468 -3.604 1.00 0.00 N ATOM 1135 CA GLY A 195 31.098 5.747 -3.494 1.00 0.00 C ATOM 1136 C GLY A 195 31.646 6.230 -4.822 1.00 0.00 C ATOM 1137 O GLY A 195 32.754 6.760 -4.888 1.00 0.00 O ATOM 0 H GLY A 195 29.428 4.487 -3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 195 30.404 6.489 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 195 31.915 5.662 -2.777 1.00 0.00 H new ATOM 1141 N GLU A 196 30.867 6.044 -5.884 1.00 0.00 N ATOM 1142 CA GLU A 196 31.283 6.463 -7.218 1.00 0.00 C ATOM 1143 C GLU A 196 30.134 7.142 -7.958 1.00 0.00 C ATOM 1144 O GLU A 196 28.968 6.968 -7.607 1.00 0.00 O ATOM 1145 CB GLU A 196 31.782 5.260 -8.021 1.00 0.00 C ATOM 1146 CG GLU A 196 33.260 4.967 -7.824 1.00 0.00 C ATOM 1147 CD GLU A 196 33.882 4.275 -9.021 1.00 0.00 C ATOM 1148 OE1 GLU A 196 33.759 4.808 -10.144 1.00 0.00 O ATOM 1149 OE2 GLU A 196 34.492 3.201 -8.836 1.00 0.00 O ATOM 0 H GLU A 196 29.946 5.607 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 196 32.096 7.181 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 196 31.205 4.380 -7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 196 31.593 5.437 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 196 33.789 5.901 -7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 196 33.388 4.342 -6.940 1.00 0.00 H new ATOM 1156 N ASN A 197 30.475 7.915 -8.984 1.00 0.00 N ATOM 1157 CA ASN A 197 29.472 8.622 -9.773 1.00 0.00 C ATOM 1158 C ASN A 197 29.569 8.235 -11.246 1.00 0.00 C ATOM 1159 O ASN A 197 30.583 7.700 -11.693 1.00 0.00 O ATOM 1160 CB ASN A 197 29.644 10.134 -9.619 1.00 0.00 C ATOM 1161 CG ASN A 197 31.028 10.603 -10.026 1.00 0.00 C ATOM 1162 OD1 ASN A 197 31.275 10.904 -11.194 1.00 0.00 O ATOM 1163 ND2 ASN A 197 31.938 10.667 -9.061 1.00 0.00 N ATOM 0 H ASN A 197 31.436 8.068 -9.288 1.00 0.00 H new ATOM 0 HA ASN A 197 28.487 8.336 -9.404 1.00 0.00 H new ATOM 0 HB2 ASN A 197 28.897 10.646 -10.226 1.00 0.00 H new ATOM 0 HB3 ASN A 197 29.459 10.414 -8.582 1.00 0.00 H new ATOM 0 HD21 ASN A 197 32.887 10.976 -9.274 1.00 0.00 H new ATOM 0 HD22 ASN A 197 31.688 10.408 -8.107 1.00 0.00 H new ATOM 1170 N PHE A 198 28.506 8.511 -11.995 1.00 0.00 N ATOM 1171 CA PHE A 198 28.471 8.192 -13.418 1.00 0.00 C ATOM 1172 C PHE A 198 28.978 9.365 -14.251 1.00 0.00 C ATOM 1173 O PHE A 198 28.734 10.527 -13.923 1.00 0.00 O ATOM 1174 CB PHE A 198 27.048 7.826 -13.844 1.00 0.00 C ATOM 1175 CG PHE A 198 26.640 6.437 -13.445 1.00 0.00 C ATOM 1176 CD1 PHE A 198 27.263 5.331 -14.001 1.00 0.00 C ATOM 1177 CD2 PHE A 198 25.634 6.237 -12.513 1.00 0.00 C ATOM 1178 CE1 PHE A 198 26.891 4.051 -13.635 1.00 0.00 C ATOM 1179 CE2 PHE A 198 25.258 4.959 -12.143 1.00 0.00 C ATOM 1180 CZ PHE A 198 25.887 3.865 -12.706 1.00 0.00 C ATOM 0 H PHE A 198 27.658 8.954 -11.641 1.00 0.00 H new ATOM 0 HA PHE A 198 29.126 7.338 -13.590 1.00 0.00 H new ATOM 0 HB2 PHE A 198 26.351 8.540 -13.406 1.00 0.00 H new ATOM 0 HB3 PHE A 198 26.965 7.923 -14.926 1.00 0.00 H new ATOM 0 HD1 PHE A 198 28.048 5.471 -14.729 1.00 0.00 H new ATOM 0 HD2 PHE A 198 25.138 7.089 -12.071 1.00 0.00 H new ATOM 0 HE1 PHE A 198 27.385 3.198 -14.075 1.00 0.00 H new ATOM 0 HE2 PHE A 198 24.473 4.816 -11.415 1.00 0.00 H new ATOM 0 HZ PHE A 198 25.594 2.866 -12.420 1.00 0.00 H new ATOM 1190 N THR A 199 29.686 9.053 -15.332 1.00 0.00 N ATOM 1191 CA THR A 199 30.230 10.080 -16.212 1.00 0.00 C ATOM 1192 C THR A 199 29.419 10.188 -17.498 1.00 0.00 C ATOM 1193 O THR A 199 28.657 9.284 -17.839 1.00 0.00 O ATOM 1194 CB THR A 199 31.701 9.793 -16.569 1.00 0.00 C ATOM 1195 OG1 THR A 199 31.834 8.453 -17.057 1.00 0.00 O ATOM 1196 CG2 THR A 199 32.599 9.988 -15.357 1.00 0.00 C ATOM 0 H THR A 199 29.896 8.097 -15.619 1.00 0.00 H new ATOM 0 HA THR A 199 30.173 11.023 -15.669 1.00 0.00 H new ATOM 0 HB THR A 199 32.007 10.494 -17.345 1.00 0.00 H new ATOM 0 HG1 THR A 199 32.771 8.279 -17.283 1.00 0.00 H new ATOM 0 HG21 THR A 199 33.633 9.780 -15.633 1.00 0.00 H new ATOM 0 HG22 THR A 199 32.517 11.016 -15.005 1.00 0.00 H new ATOM 0 HG23 THR A 199 32.291 9.308 -14.563 1.00 0.00 H new ATOM 1204 N GLU A 200 29.588 11.299 -18.208 1.00 0.00 N ATOM 1205 CA GLU A 200 28.871 11.523 -19.457 1.00 0.00 C ATOM 1206 C GLU A 200 29.163 10.411 -20.460 1.00 0.00 C ATOM 1207 O GLU A 200 28.343 10.111 -21.329 1.00 0.00 O ATOM 1208 CB GLU A 200 29.255 12.878 -20.056 1.00 0.00 C ATOM 1209 CG GLU A 200 29.146 14.031 -19.072 1.00 0.00 C ATOM 1210 CD GLU A 200 28.229 15.134 -19.565 1.00 0.00 C ATOM 1211 OE1 GLU A 200 26.997 14.990 -19.419 1.00 0.00 O ATOM 1212 OE2 GLU A 200 28.744 16.140 -20.098 1.00 0.00 O ATOM 0 H GLU A 200 30.215 12.057 -17.939 1.00 0.00 H new ATOM 0 HA GLU A 200 27.803 11.520 -19.238 1.00 0.00 H new ATOM 0 HB2 GLU A 200 30.278 12.824 -20.428 1.00 0.00 H new ATOM 0 HB3 GLU A 200 28.614 13.081 -20.914 1.00 0.00 H new ATOM 0 HG2 GLU A 200 28.776 13.656 -18.118 1.00 0.00 H new ATOM 0 HG3 GLU A 200 30.138 14.443 -18.890 1.00 0.00 H new ATOM 1219 N THR A 201 30.338 9.801 -20.334 1.00 0.00 N ATOM 1220 CA THR A 201 30.740 8.724 -21.229 1.00 0.00 C ATOM 1221 C THR A 201 30.105 7.400 -20.816 1.00 0.00 C ATOM 1222 O THR A 201 29.624 6.643 -21.658 1.00 0.00 O ATOM 1223 CB THR A 201 32.271 8.559 -21.257 1.00 0.00 C ATOM 1224 OG1 THR A 201 32.895 9.823 -21.507 1.00 0.00 O ATOM 1225 CG2 THR A 201 32.688 7.560 -22.326 1.00 0.00 C ATOM 0 H THR A 201 31.028 10.035 -19.620 1.00 0.00 H new ATOM 0 HA THR A 201 30.393 8.995 -22.226 1.00 0.00 H new ATOM 0 HB THR A 201 32.592 8.182 -20.286 1.00 0.00 H new ATOM 0 HG1 THR A 201 33.868 9.710 -21.522 1.00 0.00 H new ATOM 0 HG21 THR A 201 33.773 7.460 -22.327 1.00 0.00 H new ATOM 0 HG22 THR A 201 32.235 6.591 -22.116 1.00 0.00 H new ATOM 0 HG23 THR A 201 32.355 7.912 -23.302 1.00 0.00 H new ATOM 1233 N ASP A 202 30.107 7.129 -19.516 1.00 0.00 N ATOM 1234 CA ASP A 202 29.529 5.897 -18.991 1.00 0.00 C ATOM 1235 C ASP A 202 28.014 5.888 -19.169 1.00 0.00 C ATOM 1236 O ASP A 202 27.444 4.923 -19.678 1.00 0.00 O ATOM 1237 CB ASP A 202 29.882 5.733 -17.512 1.00 0.00 C ATOM 1238 CG ASP A 202 31.184 4.983 -17.307 1.00 0.00 C ATOM 1239 OD1 ASP A 202 32.069 5.082 -18.181 1.00 0.00 O ATOM 1240 OD2 ASP A 202 31.316 4.295 -16.272 1.00 0.00 O ATOM 0 H ASP A 202 30.502 7.745 -18.806 1.00 0.00 H new ATOM 0 HA ASP A 202 29.947 5.061 -19.552 1.00 0.00 H new ATOM 0 HB2 ASP A 202 29.956 6.716 -17.048 1.00 0.00 H new ATOM 0 HB3 ASP A 202 29.076 5.201 -17.006 1.00 0.00 H new ATOM 1245 N VAL A 203 27.367 6.969 -18.746 1.00 0.00 N ATOM 1246 CA VAL A 203 25.918 7.086 -18.858 1.00 0.00 C ATOM 1247 C VAL A 203 25.458 6.853 -20.293 1.00 0.00 C ATOM 1248 O VAL A 203 24.375 6.318 -20.530 1.00 0.00 O ATOM 1249 CB VAL A 203 25.429 8.471 -18.393 1.00 0.00 C ATOM 1250 CG1 VAL A 203 26.012 9.567 -19.273 1.00 0.00 C ATOM 1251 CG2 VAL A 203 23.909 8.527 -18.394 1.00 0.00 C ATOM 0 H VAL A 203 27.824 7.777 -18.322 1.00 0.00 H new ATOM 0 HA VAL A 203 25.487 6.321 -18.212 1.00 0.00 H new ATOM 0 HB VAL A 203 25.775 8.635 -17.373 1.00 0.00 H new ATOM 0 HG11 VAL A 203 25.655 10.538 -18.929 1.00 0.00 H new ATOM 0 HG12 VAL A 203 27.100 9.539 -19.216 1.00 0.00 H new ATOM 0 HG13 VAL A 203 25.699 9.410 -20.305 1.00 0.00 H new ATOM 0 HG21 VAL A 203 23.581 9.512 -18.063 1.00 0.00 H new ATOM 0 HG22 VAL A 203 23.539 8.341 -19.402 1.00 0.00 H new ATOM 0 HG23 VAL A 203 23.516 7.768 -17.718 1.00 0.00 H new ATOM 1261 N LYS A 204 26.289 7.257 -21.248 1.00 0.00 N ATOM 1262 CA LYS A 204 25.970 7.090 -22.661 1.00 0.00 C ATOM 1263 C LYS A 204 25.815 5.615 -23.014 1.00 0.00 C ATOM 1264 O LYS A 204 24.821 5.212 -23.616 1.00 0.00 O ATOM 1265 CB LYS A 204 27.060 7.722 -23.529 1.00 0.00 C ATOM 1266 CG LYS A 204 26.563 8.872 -24.389 1.00 0.00 C ATOM 1267 CD LYS A 204 26.135 10.058 -23.541 1.00 0.00 C ATOM 1268 CE LYS A 204 25.220 10.994 -24.314 1.00 0.00 C ATOM 1269 NZ LYS A 204 25.018 12.286 -23.601 1.00 0.00 N ATOM 0 H LYS A 204 27.189 7.703 -21.069 1.00 0.00 H new ATOM 0 HA LYS A 204 25.022 7.592 -22.855 1.00 0.00 H new ATOM 0 HB2 LYS A 204 27.863 8.082 -22.885 1.00 0.00 H new ATOM 0 HB3 LYS A 204 27.489 6.955 -24.175 1.00 0.00 H new ATOM 0 HG2 LYS A 204 27.351 9.180 -25.076 1.00 0.00 H new ATOM 0 HG3 LYS A 204 25.723 8.536 -24.997 1.00 0.00 H new ATOM 0 HD2 LYS A 204 25.622 9.702 -22.648 1.00 0.00 H new ATOM 0 HD3 LYS A 204 27.017 10.604 -23.206 1.00 0.00 H new ATOM 0 HE2 LYS A 204 25.645 11.186 -25.299 1.00 0.00 H new ATOM 0 HE3 LYS A 204 24.255 10.511 -24.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 204 24.388 12.896 -24.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 204 24.589 12.106 -22.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 204 25.935 12.759 -23.473 1.00 0.00 H new ATOM 1283 N MET A 205 26.805 4.813 -22.634 1.00 0.00 N ATOM 1284 CA MET A 205 26.778 3.381 -22.909 1.00 0.00 C ATOM 1285 C MET A 205 25.610 2.713 -22.190 1.00 0.00 C ATOM 1286 O MET A 205 25.028 1.752 -22.694 1.00 0.00 O ATOM 1287 CB MET A 205 28.095 2.732 -22.480 1.00 0.00 C ATOM 1288 CG MET A 205 29.299 3.223 -23.267 1.00 0.00 C ATOM 1289 SD MET A 205 30.327 1.873 -23.878 1.00 0.00 S ATOM 1290 CE MET A 205 31.937 2.375 -23.275 1.00 0.00 C ATOM 0 H MET A 205 27.636 5.131 -22.135 1.00 0.00 H new ATOM 0 HA MET A 205 26.648 3.244 -23.983 1.00 0.00 H new ATOM 0 HB2 MET A 205 28.259 2.928 -21.420 1.00 0.00 H new ATOM 0 HB3 MET A 205 28.012 1.651 -22.595 1.00 0.00 H new ATOM 0 HG2 MET A 205 28.957 3.824 -24.110 1.00 0.00 H new ATOM 0 HG3 MET A 205 29.901 3.875 -22.634 1.00 0.00 H new ATOM 0 HE1 MET A 205 32.709 1.777 -23.759 1.00 0.00 H new ATOM 0 HE2 MET A 205 32.098 3.429 -23.502 1.00 0.00 H new ATOM 0 HE3 MET A 205 31.984 2.225 -22.196 1.00 0.00 H new ATOM 1300 N MET A 206 25.274 3.227 -21.012 1.00 0.00 N ATOM 1301 CA MET A 206 24.174 2.679 -20.225 1.00 0.00 C ATOM 1302 C MET A 206 22.830 3.020 -20.859 1.00 0.00 C ATOM 1303 O MET A 206 21.963 2.158 -20.997 1.00 0.00 O ATOM 1304 CB MET A 206 24.227 3.214 -18.793 1.00 0.00 C ATOM 1305 CG MET A 206 22.984 2.895 -17.979 1.00 0.00 C ATOM 1306 SD MET A 206 23.364 2.476 -16.267 1.00 0.00 S ATOM 1307 CE MET A 206 24.295 3.921 -15.763 1.00 0.00 C ATOM 0 H MET A 206 25.747 4.021 -20.581 1.00 0.00 H new ATOM 0 HA MET A 206 24.280 1.594 -20.203 1.00 0.00 H new ATOM 0 HB2 MET A 206 25.098 2.795 -18.289 1.00 0.00 H new ATOM 0 HB3 MET A 206 24.365 4.295 -18.823 1.00 0.00 H new ATOM 0 HG2 MET A 206 22.312 3.753 -17.998 1.00 0.00 H new ATOM 0 HG3 MET A 206 22.454 2.064 -18.443 1.00 0.00 H new ATOM 0 HE1 MET A 206 24.015 4.198 -14.747 1.00 0.00 H new ATOM 0 HE2 MET A 206 25.361 3.697 -15.798 1.00 0.00 H new ATOM 0 HE3 MET A 206 24.076 4.749 -16.438 1.00 0.00 H new ATOM 1317 N GLU A 207 22.664 4.282 -21.242 1.00 0.00 N ATOM 1318 CA GLU A 207 21.423 4.736 -21.860 1.00 0.00 C ATOM 1319 C GLU A 207 21.060 3.861 -23.056 1.00 0.00 C ATOM 1320 O GLU A 207 19.884 3.684 -23.375 1.00 0.00 O ATOM 1321 CB GLU A 207 21.551 6.195 -22.301 1.00 0.00 C ATOM 1322 CG GLU A 207 21.584 7.180 -21.145 1.00 0.00 C ATOM 1323 CD GLU A 207 20.250 7.866 -20.925 1.00 0.00 C ATOM 1324 OE1 GLU A 207 19.828 8.640 -21.809 1.00 0.00 O ATOM 1325 OE2 GLU A 207 19.628 7.629 -19.868 1.00 0.00 O ATOM 0 H GLU A 207 23.373 5.008 -21.135 1.00 0.00 H new ATOM 0 HA GLU A 207 20.627 4.657 -21.119 1.00 0.00 H new ATOM 0 HB2 GLU A 207 22.461 6.309 -22.890 1.00 0.00 H new ATOM 0 HB3 GLU A 207 20.715 6.443 -22.955 1.00 0.00 H new ATOM 0 HG2 GLU A 207 21.873 6.656 -20.234 1.00 0.00 H new ATOM 0 HG3 GLU A 207 22.348 7.933 -21.336 1.00 0.00 H new ATOM 1332 N ARG A 208 22.078 3.317 -23.714 1.00 0.00 N ATOM 1333 CA ARG A 208 21.867 2.462 -24.877 1.00 0.00 C ATOM 1334 C ARG A 208 21.205 1.148 -24.472 1.00 0.00 C ATOM 1335 O ARG A 208 20.252 0.699 -25.109 1.00 0.00 O ATOM 1336 CB ARG A 208 23.197 2.180 -25.578 1.00 0.00 C ATOM 1337 CG ARG A 208 23.173 2.471 -27.069 1.00 0.00 C ATOM 1338 CD ARG A 208 24.037 1.487 -27.843 1.00 0.00 C ATOM 1339 NE ARG A 208 23.279 0.787 -28.876 1.00 0.00 N ATOM 1340 CZ ARG A 208 22.831 1.370 -29.982 1.00 0.00 C ATOM 1341 NH1 ARG A 208 23.065 2.658 -30.197 1.00 0.00 N ATOM 1342 NH2 ARG A 208 22.149 0.666 -30.876 1.00 0.00 N ATOM 0 H ARG A 208 23.057 3.453 -23.462 1.00 0.00 H new ATOM 0 HA ARG A 208 21.205 2.986 -25.566 1.00 0.00 H new ATOM 0 HB2 ARG A 208 23.978 2.780 -25.112 1.00 0.00 H new ATOM 0 HB3 ARG A 208 23.464 1.134 -25.425 1.00 0.00 H new ATOM 0 HG2 ARG A 208 22.147 2.421 -27.434 1.00 0.00 H new ATOM 0 HG3 ARG A 208 23.526 3.486 -27.248 1.00 0.00 H new ATOM 0 HD2 ARG A 208 24.870 2.020 -28.303 1.00 0.00 H new ATOM 0 HD3 ARG A 208 24.466 0.760 -27.153 1.00 0.00 H new ATOM 0 HE ARG A 208 23.083 -0.205 -28.741 1.00 0.00 H new ATOM 0 HH11 ARG A 208 23.590 3.202 -29.512 1.00 0.00 H new ATOM 0 HH12 ARG A 208 22.720 3.104 -31.047 1.00 0.00 H new ATOM 0 HH21 ARG A 208 21.968 -0.325 -30.714 1.00 0.00 H new ATOM 0 HH22 ARG A 208 21.806 1.115 -31.725 1.00 0.00 H new ATOM 1356 N VAL A 209 21.717 0.536 -23.409 1.00 0.00 N ATOM 1357 CA VAL A 209 21.176 -0.726 -22.919 1.00 0.00 C ATOM 1358 C VAL A 209 19.813 -0.524 -22.268 1.00 0.00 C ATOM 1359 O VAL A 209 18.891 -1.314 -22.472 1.00 0.00 O ATOM 1360 CB VAL A 209 22.125 -1.387 -21.902 1.00 0.00 C ATOM 1361 CG1 VAL A 209 21.531 -2.687 -21.382 1.00 0.00 C ATOM 1362 CG2 VAL A 209 23.491 -1.628 -22.528 1.00 0.00 C ATOM 0 H VAL A 209 22.506 0.894 -22.871 1.00 0.00 H new ATOM 0 HA VAL A 209 21.069 -1.381 -23.784 1.00 0.00 H new ATOM 0 HB VAL A 209 22.251 -0.711 -21.057 1.00 0.00 H new ATOM 0 HG11 VAL A 209 22.216 -3.139 -20.665 1.00 0.00 H new ATOM 0 HG12 VAL A 209 20.578 -2.482 -20.894 1.00 0.00 H new ATOM 0 HG13 VAL A 209 21.372 -3.373 -22.214 1.00 0.00 H new ATOM 0 HG21 VAL A 209 24.149 -2.096 -21.796 1.00 0.00 H new ATOM 0 HG22 VAL A 209 23.385 -2.284 -23.392 1.00 0.00 H new ATOM 0 HG23 VAL A 209 23.919 -0.677 -22.845 1.00 0.00 H new ATOM 1372 N VAL A 210 19.691 0.542 -21.482 1.00 0.00 N ATOM 1373 CA VAL A 210 18.439 0.851 -20.802 1.00 0.00 C ATOM 1374 C VAL A 210 17.286 0.961 -21.794 1.00 0.00 C ATOM 1375 O VAL A 210 16.158 0.573 -21.494 1.00 0.00 O ATOM 1376 CB VAL A 210 18.543 2.165 -20.004 1.00 0.00 C ATOM 1377 CG1 VAL A 210 17.257 2.426 -19.236 1.00 0.00 C ATOM 1378 CG2 VAL A 210 19.737 2.123 -19.063 1.00 0.00 C ATOM 0 H VAL A 210 20.444 1.206 -21.301 1.00 0.00 H new ATOM 0 HA VAL A 210 18.243 0.030 -20.112 1.00 0.00 H new ATOM 0 HB VAL A 210 18.691 2.986 -20.706 1.00 0.00 H new ATOM 0 HG11 VAL A 210 17.349 3.358 -18.678 1.00 0.00 H new ATOM 0 HG12 VAL A 210 16.425 2.502 -19.936 1.00 0.00 H new ATOM 0 HG13 VAL A 210 17.074 1.605 -18.543 1.00 0.00 H new ATOM 0 HG21 VAL A 210 19.795 3.059 -18.507 1.00 0.00 H new ATOM 0 HG22 VAL A 210 19.622 1.293 -18.365 1.00 0.00 H new ATOM 0 HG23 VAL A 210 20.651 1.987 -19.641 1.00 0.00 H new ATOM 1388 N GLU A 211 17.580 1.492 -22.976 1.00 0.00 N ATOM 1389 CA GLU A 211 16.567 1.653 -24.013 1.00 0.00 C ATOM 1390 C GLU A 211 16.110 0.297 -24.543 1.00 0.00 C ATOM 1391 O GLU A 211 14.916 0.005 -24.581 1.00 0.00 O ATOM 1392 CB GLU A 211 17.111 2.506 -25.161 1.00 0.00 C ATOM 1393 CG GLU A 211 16.184 2.571 -26.363 1.00 0.00 C ATOM 1394 CD GLU A 211 16.099 3.963 -26.959 1.00 0.00 C ATOM 1395 OE1 GLU A 211 17.069 4.384 -27.622 1.00 0.00 O ATOM 1396 OE2 GLU A 211 15.062 4.631 -26.762 1.00 0.00 O ATOM 0 H GLU A 211 18.510 1.818 -23.240 1.00 0.00 H new ATOM 0 HA GLU A 211 15.708 2.158 -23.571 1.00 0.00 H new ATOM 0 HB2 GLU A 211 17.292 3.517 -24.797 1.00 0.00 H new ATOM 0 HB3 GLU A 211 18.074 2.104 -25.477 1.00 0.00 H new ATOM 0 HG2 GLU A 211 16.534 1.874 -27.125 1.00 0.00 H new ATOM 0 HG3 GLU A 211 15.187 2.245 -26.066 1.00 0.00 H new ATOM 1403 N GLN A 212 17.071 -0.525 -24.952 1.00 0.00 N ATOM 1404 CA GLN A 212 16.768 -1.850 -25.481 1.00 0.00 C ATOM 1405 C GLN A 212 16.064 -2.706 -24.434 1.00 0.00 C ATOM 1406 O GLN A 212 15.192 -3.511 -24.761 1.00 0.00 O ATOM 1407 CB GLN A 212 18.050 -2.542 -25.946 1.00 0.00 C ATOM 1408 CG GLN A 212 18.317 -2.393 -27.435 1.00 0.00 C ATOM 1409 CD GLN A 212 17.273 -3.088 -28.287 1.00 0.00 C ATOM 1410 OE1 GLN A 212 16.624 -2.463 -29.126 1.00 0.00 O ATOM 1411 NE2 GLN A 212 17.107 -4.389 -28.076 1.00 0.00 N ATOM 0 H GLN A 212 18.065 -0.297 -24.927 1.00 0.00 H new ATOM 0 HA GLN A 212 16.100 -1.729 -26.334 1.00 0.00 H new ATOM 0 HB2 GLN A 212 18.895 -2.134 -25.391 1.00 0.00 H new ATOM 0 HB3 GLN A 212 17.990 -3.602 -25.701 1.00 0.00 H new ATOM 0 HG2 GLN A 212 18.343 -1.334 -27.691 1.00 0.00 H new ATOM 0 HG3 GLN A 212 19.301 -2.802 -27.667 1.00 0.00 H new ATOM 0 HE21 GLN A 212 17.667 -4.867 -27.370 1.00 0.00 H new ATOM 0 HE22 GLN A 212 16.419 -4.910 -28.620 1.00 0.00 H new ATOM 1420 N MET A 213 16.449 -2.528 -23.175 1.00 0.00 N ATOM 1421 CA MET A 213 15.853 -3.285 -22.080 1.00 0.00 C ATOM 1422 C MET A 213 14.395 -2.888 -21.875 1.00 0.00 C ATOM 1423 O MET A 213 13.569 -3.706 -21.468 1.00 0.00 O ATOM 1424 CB MET A 213 16.642 -3.060 -20.788 1.00 0.00 C ATOM 1425 CG MET A 213 17.757 -4.069 -20.574 1.00 0.00 C ATOM 1426 SD MET A 213 18.002 -4.475 -18.834 1.00 0.00 S ATOM 1427 CE MET A 213 18.515 -2.886 -18.185 1.00 0.00 C ATOM 0 H MET A 213 17.170 -1.867 -22.887 1.00 0.00 H new ATOM 0 HA MET A 213 15.889 -4.343 -22.340 1.00 0.00 H new ATOM 0 HB2 MET A 213 17.069 -2.057 -20.802 1.00 0.00 H new ATOM 0 HB3 MET A 213 15.957 -3.103 -19.941 1.00 0.00 H new ATOM 0 HG2 MET A 213 17.528 -4.980 -21.127 1.00 0.00 H new ATOM 0 HG3 MET A 213 18.685 -3.671 -20.985 1.00 0.00 H new ATOM 0 HE1 MET A 213 18.773 -2.990 -17.131 1.00 0.00 H new ATOM 0 HE2 MET A 213 19.384 -2.530 -18.738 1.00 0.00 H new ATOM 0 HE3 MET A 213 17.700 -2.170 -18.290 1.00 0.00 H new ATOM 1437 N CYS A 214 14.084 -1.627 -22.158 1.00 0.00 N ATOM 1438 CA CYS A 214 12.725 -1.121 -22.004 1.00 0.00 C ATOM 1439 C CYS A 214 11.796 -1.730 -23.050 1.00 0.00 C ATOM 1440 O CYS A 214 10.673 -2.127 -22.741 1.00 0.00 O ATOM 1441 CB CYS A 214 12.711 0.405 -22.119 1.00 0.00 C ATOM 1442 SG CYS A 214 12.093 1.257 -20.633 1.00 0.00 S ATOM 0 H CYS A 214 14.755 -0.937 -22.495 1.00 0.00 H new ATOM 0 HA CYS A 214 12.367 -1.408 -21.015 1.00 0.00 H new ATOM 0 HB2 CYS A 214 13.723 0.752 -22.329 1.00 0.00 H new ATOM 0 HB3 CYS A 214 12.093 0.689 -22.971 1.00 0.00 H new ATOM 0 HG CYS A 214 12.667 2.418 -20.528 1.00 0.00 H new ATOM 1447 N ILE A 215 12.273 -1.799 -24.288 1.00 0.00 N ATOM 1448 CA ILE A 215 11.486 -2.360 -25.379 1.00 0.00 C ATOM 1449 C ILE A 215 11.198 -3.839 -25.145 1.00 0.00 C ATOM 1450 O ILE A 215 10.147 -4.349 -25.536 1.00 0.00 O ATOM 1451 CB ILE A 215 12.203 -2.196 -26.733 1.00 0.00 C ATOM 1452 CG1 ILE A 215 12.506 -0.720 -26.998 1.00 0.00 C ATOM 1453 CG2 ILE A 215 11.356 -2.779 -27.854 1.00 0.00 C ATOM 1454 CD1 ILE A 215 11.270 0.151 -27.047 1.00 0.00 C ATOM 0 H ILE A 215 13.200 -1.473 -24.561 1.00 0.00 H new ATOM 0 HA ILE A 215 10.546 -1.809 -25.406 1.00 0.00 H new ATOM 0 HB ILE A 215 13.147 -2.740 -26.697 1.00 0.00 H new ATOM 0 HG12 ILE A 215 13.172 -0.349 -26.219 1.00 0.00 H new ATOM 0 HG13 ILE A 215 13.041 -0.631 -27.944 1.00 0.00 H new ATOM 0 HG21 ILE A 215 11.875 -2.656 -28.804 1.00 0.00 H new ATOM 0 HG22 ILE A 215 11.186 -3.840 -27.668 1.00 0.00 H new ATOM 0 HG23 ILE A 215 10.398 -2.260 -27.894 1.00 0.00 H new ATOM 0 HD11 ILE A 215 11.560 1.184 -27.238 1.00 0.00 H new ATOM 0 HD12 ILE A 215 10.613 -0.195 -27.845 1.00 0.00 H new ATOM 0 HD13 ILE A 215 10.745 0.092 -26.093 1.00 0.00 H new ATOM 1466 N THR A 216 12.139 -4.525 -24.502 1.00 0.00 N ATOM 1467 CA THR A 216 11.987 -5.946 -24.215 1.00 0.00 C ATOM 1468 C THR A 216 10.694 -6.218 -23.454 1.00 0.00 C ATOM 1469 O THR A 216 10.041 -7.239 -23.668 1.00 0.00 O ATOM 1470 CB THR A 216 13.174 -6.483 -23.395 1.00 0.00 C ATOM 1471 OG1 THR A 216 14.406 -5.998 -23.940 1.00 0.00 O ATOM 1472 CG2 THR A 216 13.182 -8.005 -23.386 1.00 0.00 C ATOM 0 H THR A 216 13.014 -4.119 -24.170 1.00 0.00 H new ATOM 0 HA THR A 216 11.956 -6.461 -25.175 1.00 0.00 H new ATOM 0 HB THR A 216 13.067 -6.130 -22.369 1.00 0.00 H new ATOM 0 HG1 THR A 216 15.156 -6.343 -23.411 1.00 0.00 H new ATOM 0 HG21 THR A 216 14.030 -8.361 -22.800 1.00 0.00 H new ATOM 0 HG22 THR A 216 12.256 -8.371 -22.943 1.00 0.00 H new ATOM 0 HG23 THR A 216 13.266 -8.374 -24.408 1.00 0.00 H new ATOM 1480 N GLN A 217 10.330 -5.297 -22.567 1.00 0.00 N ATOM 1481 CA GLN A 217 9.114 -5.439 -21.775 1.00 0.00 C ATOM 1482 C GLN A 217 7.895 -5.611 -22.675 1.00 0.00 C ATOM 1483 O GLN A 217 6.895 -6.207 -22.275 1.00 0.00 O ATOM 1484 CB GLN A 217 8.926 -4.221 -20.869 1.00 0.00 C ATOM 1485 CG GLN A 217 8.454 -4.573 -19.467 1.00 0.00 C ATOM 1486 CD GLN A 217 9.591 -4.987 -18.555 1.00 0.00 C ATOM 1487 OE1 GLN A 217 9.695 -6.149 -18.161 1.00 0.00 O ATOM 1488 NE2 GLN A 217 10.453 -4.036 -18.214 1.00 0.00 N ATOM 0 H GLN A 217 10.859 -4.446 -22.379 1.00 0.00 H new ATOM 0 HA GLN A 217 9.215 -6.331 -21.157 1.00 0.00 H new ATOM 0 HB2 GLN A 217 9.870 -3.680 -20.801 1.00 0.00 H new ATOM 0 HB3 GLN A 217 8.204 -3.545 -21.328 1.00 0.00 H new ATOM 0 HG2 GLN A 217 7.941 -3.714 -19.034 1.00 0.00 H new ATOM 0 HG3 GLN A 217 7.727 -5.383 -19.525 1.00 0.00 H new ATOM 0 HE21 GLN A 217 10.329 -3.086 -18.564 1.00 0.00 H new ATOM 0 HE22 GLN A 217 11.239 -4.256 -17.603 1.00 0.00 H new ATOM 1497 N TYR A 218 7.985 -5.086 -23.892 1.00 0.00 N ATOM 1498 CA TYR A 218 6.888 -5.179 -24.848 1.00 0.00 C ATOM 1499 C TYR A 218 5.662 -4.424 -24.345 1.00 0.00 C ATOM 1500 O TYR A 218 4.556 -4.608 -24.853 1.00 0.00 O ATOM 1501 CB TYR A 218 6.530 -6.644 -25.103 1.00 0.00 C ATOM 1502 CG TYR A 218 6.193 -6.942 -26.547 1.00 0.00 C ATOM 1503 CD1 TYR A 218 7.183 -6.961 -27.522 1.00 0.00 C ATOM 1504 CD2 TYR A 218 4.885 -7.206 -26.935 1.00 0.00 C ATOM 1505 CE1 TYR A 218 6.879 -7.232 -28.842 1.00 0.00 C ATOM 1506 CE2 TYR A 218 4.573 -7.480 -28.253 1.00 0.00 C ATOM 1507 CZ TYR A 218 5.573 -7.491 -29.203 1.00 0.00 C ATOM 1508 OH TYR A 218 5.267 -7.763 -30.516 1.00 0.00 O ATOM 0 H TYR A 218 8.807 -4.592 -24.240 1.00 0.00 H new ATOM 0 HA TYR A 218 7.214 -4.723 -25.783 1.00 0.00 H new ATOM 0 HB2 TYR A 218 7.366 -7.272 -24.797 1.00 0.00 H new ATOM 0 HB3 TYR A 218 5.680 -6.916 -24.477 1.00 0.00 H new ATOM 0 HD1 TYR A 218 8.207 -6.761 -27.243 1.00 0.00 H new ATOM 0 HD2 TYR A 218 4.099 -7.197 -26.194 1.00 0.00 H new ATOM 0 HE1 TYR A 218 7.660 -7.241 -29.588 1.00 0.00 H new ATOM 0 HE2 TYR A 218 3.551 -7.684 -28.538 1.00 0.00 H new ATOM 0 HH TYR A 218 4.304 -7.924 -30.601 1.00 0.00 H new