USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 478 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 Single : A 307 HIS : no HD1:sc= -0.0575 X(o=-0.058,f=-0.17) USER MOD Single : A 308 ASN : amide:sc= -2.56 K(o=-2.6,f=-4.9!) USER MOD Single : A 311 SER OG : rot 180:sc= 0 USER MOD Single : A 313 SER OG : rot -44:sc= 1.05 USER MOD Single : A 314 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 316 TYR OH : rot 180:sc= 0 USER MOD Single : A 317 ASN : amide:sc=-0.00448 X(o=-0.0045,f=-0.0075) USER MOD Single : A 318 ASN : amide:sc= -2.36 X(o=-2.4,f=-2.4) USER MOD Single : A 320 THR OG1 : rot 180:sc= 0.00644 USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot 180:sc=-0.00591 USER MOD Single : A 341 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 342 MET CE :methyl 164:sc= -2.36 (180deg=-2.55!) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD Single : A 348 MET CE :methyl -160:sc= -1.19 (180deg=-2.26) USER MOD Single : A 349 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 360 HIS : no HD1:sc= -0.713 K(o=-0.71,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 145 N ARG A 302 9.324 15.981 -5.653 1.00 0.00 N ATOM 146 CA ARG A 302 8.579 14.750 -5.857 1.00 0.00 C ATOM 147 C ARG A 302 9.528 13.550 -5.862 1.00 0.00 C ATOM 148 O ARG A 302 9.128 12.437 -5.525 1.00 0.00 O ATOM 149 CB ARG A 302 7.807 14.787 -7.177 1.00 0.00 C ATOM 150 CG ARG A 302 6.812 13.627 -7.263 1.00 0.00 C ATOM 151 CD ARG A 302 5.372 14.143 -7.316 1.00 0.00 C ATOM 152 NE ARG A 302 4.882 14.131 -8.713 1.00 0.00 N ATOM 153 CZ ARG A 302 3.627 14.435 -9.071 1.00 0.00 C ATOM 154 NH1 ARG A 302 2.728 14.777 -8.138 1.00 0.00 N ATOM 155 NH2 ARG A 302 3.271 14.397 -10.362 1.00 0.00 N ATOM 0 HA ARG A 302 7.869 14.652 -5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 302 7.275 15.734 -7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 302 8.505 14.735 -8.012 1.00 0.00 H new ATOM 0 HG2 ARG A 302 7.021 13.029 -8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 302 6.936 12.972 -6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 302 4.731 13.521 -6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 302 5.324 15.155 -6.914 1.00 0.00 H new ATOM 0 HE ARG A 302 5.541 13.875 -9.449 1.00 0.00 H new ATOM 0 HH11 ARG A 302 2.999 14.806 -7.155 1.00 0.00 H new ATOM 0 HH12 ARG A 302 1.773 15.008 -8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 302 3.955 14.137 -11.072 1.00 0.00 H new ATOM 0 HH22 ARG A 302 2.316 14.628 -10.635 1.00 0.00 H new ATOM 169 N ALA A 303 10.767 13.817 -6.248 1.00 0.00 N ATOM 170 CA ALA A 303 11.776 12.773 -6.302 1.00 0.00 C ATOM 171 C ALA A 303 12.059 12.271 -4.884 1.00 0.00 C ATOM 172 O ALA A 303 12.295 11.081 -4.679 1.00 0.00 O ATOM 173 CB ALA A 303 13.031 13.310 -6.992 1.00 0.00 C ATOM 0 H ALA A 303 11.095 14.742 -6.526 1.00 0.00 H new ATOM 0 HA ALA A 303 11.421 11.925 -6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 303 13.788 12.526 -7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 303 12.782 13.626 -8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 303 13.419 14.160 -6.431 1.00 0.00 H new ATOM 179 N VAL A 304 12.027 13.203 -3.943 1.00 0.00 N ATOM 180 CA VAL A 304 12.277 12.869 -2.551 1.00 0.00 C ATOM 181 C VAL A 304 11.193 11.909 -2.058 1.00 0.00 C ATOM 182 O VAL A 304 11.494 10.905 -1.415 1.00 0.00 O ATOM 183 CB VAL A 304 12.369 14.148 -1.715 1.00 0.00 C ATOM 184 CG1 VAL A 304 12.475 13.822 -0.224 1.00 0.00 C ATOM 185 CG2 VAL A 304 13.542 15.018 -2.171 1.00 0.00 C ATOM 0 H VAL A 304 11.832 14.189 -4.117 1.00 0.00 H new ATOM 0 HA VAL A 304 13.234 12.358 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 304 11.451 14.716 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 304 12.539 14.748 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 304 11.594 13.262 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 304 13.368 13.223 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 304 13.585 15.920 -1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 304 14.472 14.461 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 304 13.406 15.293 -3.217 1.00 0.00 H new ATOM 195 N ILE A 305 9.954 12.252 -2.378 1.00 0.00 N ATOM 196 CA ILE A 305 8.823 11.433 -1.976 1.00 0.00 C ATOM 197 C ILE A 305 8.971 10.035 -2.579 1.00 0.00 C ATOM 198 O ILE A 305 8.759 9.035 -1.895 1.00 0.00 O ATOM 199 CB ILE A 305 7.506 12.123 -2.338 1.00 0.00 C ATOM 200 CG1 ILE A 305 7.353 13.444 -1.582 1.00 0.00 C ATOM 201 CG2 ILE A 305 6.316 11.189 -2.107 1.00 0.00 C ATOM 202 CD1 ILE A 305 6.880 14.559 -2.517 1.00 0.00 C ATOM 0 H ILE A 305 9.708 13.086 -2.911 1.00 0.00 H new ATOM 0 HA ILE A 305 8.806 11.313 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 305 7.526 12.361 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 305 6.639 13.320 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 305 8.306 13.722 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 305 5.393 11.704 -2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 305 6.426 10.299 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 305 6.281 10.898 -1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 305 6.779 15.487 -1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 305 7.608 14.696 -3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 305 5.915 14.289 -2.947 1.00 0.00 H new ATOM 214 N GLU A 306 9.334 10.010 -3.853 1.00 0.00 N ATOM 215 CA GLU A 306 9.514 8.751 -4.555 1.00 0.00 C ATOM 216 C GLU A 306 10.559 7.890 -3.844 1.00 0.00 C ATOM 217 O GLU A 306 10.330 6.707 -3.596 1.00 0.00 O ATOM 218 CB GLU A 306 9.901 8.989 -6.016 1.00 0.00 C ATOM 219 CG GLU A 306 8.690 9.436 -6.838 1.00 0.00 C ATOM 220 CD GLU A 306 8.854 9.051 -8.310 1.00 0.00 C ATOM 221 OE1 GLU A 306 9.992 9.188 -8.809 1.00 0.00 O ATOM 222 OE2 GLU A 306 7.838 8.628 -8.902 1.00 0.00 O ATOM 0 H GLU A 306 9.508 10.842 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 306 8.565 8.215 -4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 306 10.682 9.748 -6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 306 10.315 8.074 -6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 306 7.785 8.979 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 306 8.566 10.516 -6.752 1.00 0.00 H new ATOM 229 N HIS A 307 11.685 8.517 -3.536 1.00 0.00 N ATOM 230 CA HIS A 307 12.767 7.824 -2.858 1.00 0.00 C ATOM 231 C HIS A 307 12.354 7.511 -1.418 1.00 0.00 C ATOM 232 O HIS A 307 12.562 6.399 -0.936 1.00 0.00 O ATOM 233 CB HIS A 307 14.065 8.629 -2.941 1.00 0.00 C ATOM 234 CG HIS A 307 15.313 7.806 -2.729 1.00 0.00 C ATOM 235 ND1 HIS A 307 15.586 6.657 -3.452 1.00 0.00 N ATOM 236 CD2 HIS A 307 16.358 7.977 -1.869 1.00 0.00 C ATOM 237 CE1 HIS A 307 16.745 6.167 -3.037 1.00 0.00 C ATOM 238 NE2 HIS A 307 17.222 6.986 -2.056 1.00 0.00 N ATOM 0 H HIS A 307 11.871 9.498 -3.744 1.00 0.00 H new ATOM 0 HA HIS A 307 12.964 6.875 -3.357 1.00 0.00 H new ATOM 0 HB2 HIS A 307 14.121 9.109 -3.918 1.00 0.00 H new ATOM 0 HB3 HIS A 307 14.036 9.424 -2.196 1.00 0.00 H new ATOM 0 HD2 HIS A 307 16.465 8.782 -1.157 1.00 0.00 H new ATOM 0 HE1 HIS A 307 17.227 5.276 -3.410 1.00 0.00 H new ATOM 0 HE2 HIS A 307 18.098 6.858 -1.549 1.00 0.00 H new ATOM 246 N ASN A 308 11.776 8.513 -0.772 1.00 0.00 N ATOM 247 CA ASN A 308 11.332 8.360 0.603 1.00 0.00 C ATOM 248 C ASN A 308 10.390 7.159 0.699 1.00 0.00 C ATOM 249 O ASN A 308 10.436 6.404 1.669 1.00 0.00 O ATOM 250 CB ASN A 308 10.569 9.599 1.077 1.00 0.00 C ATOM 251 CG ASN A 308 11.526 10.762 1.347 1.00 0.00 C ATOM 252 OD1 ASN A 308 12.605 10.856 0.785 1.00 0.00 O ATOM 253 ND2 ASN A 308 11.072 11.639 2.237 1.00 0.00 N ATOM 0 H ASN A 308 11.605 9.434 -1.175 1.00 0.00 H new ATOM 0 HA ASN A 308 12.214 8.219 1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 308 9.839 9.892 0.322 1.00 0.00 H new ATOM 0 HB3 ASN A 308 10.013 9.363 1.984 1.00 0.00 H new ATOM 0 HD21 ASN A 308 11.637 12.451 2.487 1.00 0.00 H new ATOM 0 HD22 ASN A 308 10.159 11.500 2.670 1.00 0.00 H new ATOM 260 N LEU A 309 9.556 7.018 -0.321 1.00 0.00 N ATOM 261 CA LEU A 309 8.604 5.922 -0.364 1.00 0.00 C ATOM 262 C LEU A 309 9.363 4.594 -0.406 1.00 0.00 C ATOM 263 O LEU A 309 8.965 3.626 0.241 1.00 0.00 O ATOM 264 CB LEU A 309 7.625 6.107 -1.525 1.00 0.00 C ATOM 265 CG LEU A 309 6.141 6.134 -1.154 1.00 0.00 C ATOM 266 CD1 LEU A 309 5.851 7.238 -0.135 1.00 0.00 C ATOM 267 CD2 LEU A 309 5.266 6.261 -2.402 1.00 0.00 C ATOM 0 H LEU A 309 9.520 7.645 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 309 7.994 5.913 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 309 7.869 7.039 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 309 7.785 5.301 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 309 5.890 5.185 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 309 4.789 7.236 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 309 6.434 7.061 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 309 6.123 8.205 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 309 4.216 6.278 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 309 5.512 7.185 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 309 5.446 5.411 -3.060 1.00 0.00 H new ATOM 279 N LEU A 310 10.443 4.591 -1.173 1.00 0.00 N ATOM 280 CA LEU A 310 11.262 3.398 -1.308 1.00 0.00 C ATOM 281 C LEU A 310 12.075 3.196 -0.028 1.00 0.00 C ATOM 282 O LEU A 310 12.272 2.065 0.415 1.00 0.00 O ATOM 283 CB LEU A 310 12.118 3.475 -2.574 1.00 0.00 C ATOM 284 CG LEU A 310 11.410 3.122 -3.884 1.00 0.00 C ATOM 285 CD1 LEU A 310 12.386 3.159 -5.062 1.00 0.00 C ATOM 286 CD2 LEU A 310 10.695 1.774 -3.775 1.00 0.00 C ATOM 0 H LEU A 310 10.770 5.396 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 310 10.633 2.516 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 310 12.515 4.487 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 310 12.971 2.807 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 310 10.647 3.877 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 310 11.857 2.904 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 310 12.809 4.159 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 310 13.187 2.440 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 310 10.200 1.547 -4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 310 11.422 0.994 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 310 9.953 1.819 -2.978 1.00 0.00 H new ATOM 298 N SER A 311 12.526 4.309 0.531 1.00 0.00 N ATOM 299 CA SER A 311 13.314 4.268 1.751 1.00 0.00 C ATOM 300 C SER A 311 12.463 3.735 2.906 1.00 0.00 C ATOM 301 O SER A 311 12.916 2.889 3.676 1.00 0.00 O ATOM 302 CB SER A 311 13.868 5.652 2.096 1.00 0.00 C ATOM 303 OG SER A 311 15.293 5.676 2.080 1.00 0.00 O ATOM 0 H SER A 311 12.361 5.245 0.161 1.00 0.00 H new ATOM 0 HA SER A 311 14.158 3.598 1.590 1.00 0.00 H new ATOM 0 HB2 SER A 311 13.485 6.383 1.384 1.00 0.00 H new ATOM 0 HB3 SER A 311 13.511 5.950 3.082 1.00 0.00 H new ATOM 0 HG SER A 311 15.608 6.577 2.303 1.00 0.00 H new ATOM 309 N ALA A 312 11.246 4.251 2.989 1.00 0.00 N ATOM 310 CA ALA A 312 10.327 3.837 4.036 1.00 0.00 C ATOM 311 C ALA A 312 9.949 2.369 3.826 1.00 0.00 C ATOM 312 O ALA A 312 9.769 1.627 4.791 1.00 0.00 O ATOM 313 CB ALA A 312 9.106 4.759 4.039 1.00 0.00 C ATOM 0 H ALA A 312 10.874 4.952 2.348 1.00 0.00 H new ATOM 0 HA ALA A 312 10.799 3.919 5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 312 8.417 4.448 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 312 9.425 5.785 4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 312 8.604 4.702 3.073 1.00 0.00 H new ATOM 319 N SER A 313 9.841 1.995 2.560 1.00 0.00 N ATOM 320 CA SER A 313 9.488 0.629 2.212 1.00 0.00 C ATOM 321 C SER A 313 10.564 -0.335 2.715 1.00 0.00 C ATOM 322 O SER A 313 10.289 -1.510 2.953 1.00 0.00 O ATOM 323 CB SER A 313 9.303 0.476 0.701 1.00 0.00 C ATOM 324 OG SER A 313 10.550 0.389 0.017 1.00 0.00 O ATOM 0 H SER A 313 9.992 2.613 1.763 1.00 0.00 H new ATOM 0 HA SER A 313 8.540 0.388 2.693 1.00 0.00 H new ATOM 0 HB2 SER A 313 8.714 -0.418 0.496 1.00 0.00 H new ATOM 0 HB3 SER A 313 8.737 1.325 0.317 1.00 0.00 H new ATOM 0 HG SER A 313 11.164 1.067 0.369 1.00 0.00 H new ATOM 330 N LYS A 314 11.768 0.198 2.862 1.00 0.00 N ATOM 331 CA LYS A 314 12.888 -0.600 3.333 1.00 0.00 C ATOM 332 C LYS A 314 13.112 -0.327 4.821 1.00 0.00 C ATOM 333 O LYS A 314 13.843 -1.060 5.487 1.00 0.00 O ATOM 334 CB LYS A 314 14.125 -0.350 2.468 1.00 0.00 C ATOM 335 CG LYS A 314 13.974 -1.004 1.093 1.00 0.00 C ATOM 336 CD LYS A 314 15.230 -0.794 0.245 1.00 0.00 C ATOM 337 CE LYS A 314 15.050 0.379 -0.721 1.00 0.00 C ATOM 338 NZ LYS A 314 16.182 0.445 -1.672 1.00 0.00 N ATOM 0 H LYS A 314 11.993 1.173 2.663 1.00 0.00 H new ATOM 0 HA LYS A 314 12.668 -1.663 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 314 14.280 0.722 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 314 15.009 -0.746 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 314 13.786 -2.071 1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 314 13.110 -0.583 0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 314 16.085 -0.607 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 314 15.450 -1.702 -0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 314 14.114 0.267 -1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 314 14.983 1.312 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 314 16.044 1.246 -2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 314 17.070 0.574 -1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 314 16.228 -0.439 -2.219 1.00 0.00 H new ATOM 352 N LEU A 315 12.471 0.728 5.301 1.00 0.00 N ATOM 353 CA LEU A 315 12.592 1.107 6.698 1.00 0.00 C ATOM 354 C LEU A 315 11.347 0.644 7.457 1.00 0.00 C ATOM 355 O LEU A 315 11.360 -0.407 8.096 1.00 0.00 O ATOM 356 CB LEU A 315 12.868 2.606 6.826 1.00 0.00 C ATOM 357 CG LEU A 315 14.153 3.110 6.166 1.00 0.00 C ATOM 358 CD1 LEU A 315 13.988 4.549 5.674 1.00 0.00 C ATOM 359 CD2 LEU A 315 15.348 2.961 7.110 1.00 0.00 C ATOM 0 H LEU A 315 11.865 1.333 4.746 1.00 0.00 H new ATOM 0 HA LEU A 315 13.448 0.610 7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 315 12.026 3.148 6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 315 12.904 2.860 7.885 1.00 0.00 H new ATOM 0 HG LEU A 315 14.354 2.491 5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 315 14.915 4.883 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 315 13.180 4.594 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 315 13.751 5.197 6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 315 16.249 3.326 6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 315 15.170 3.540 8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 315 15.477 1.910 7.370 1.00 0.00 H new ATOM 371 N TYR A 316 10.300 1.451 7.361 1.00 0.00 N ATOM 372 CA TYR A 316 9.049 1.137 8.031 1.00 0.00 C ATOM 373 C TYR A 316 8.357 -0.056 7.368 1.00 0.00 C ATOM 374 O TYR A 316 7.997 0.004 6.193 1.00 0.00 O ATOM 375 CB TYR A 316 8.165 2.376 7.874 1.00 0.00 C ATOM 376 CG TYR A 316 8.648 3.589 8.671 1.00 0.00 C ATOM 377 CD1 TYR A 316 9.619 4.417 8.147 1.00 0.00 C ATOM 378 CD2 TYR A 316 8.111 3.856 9.915 1.00 0.00 C ATOM 379 CE1 TYR A 316 10.073 5.559 8.897 1.00 0.00 C ATOM 380 CE2 TYR A 316 8.565 4.998 10.665 1.00 0.00 C ATOM 381 CZ TYR A 316 9.524 5.793 10.119 1.00 0.00 C ATOM 382 OH TYR A 316 9.953 6.872 10.828 1.00 0.00 O ATOM 0 H TYR A 316 10.292 2.322 6.829 1.00 0.00 H new ATOM 0 HA TYR A 316 9.226 0.879 9.075 1.00 0.00 H new ATOM 0 HB2 TYR A 316 8.116 2.644 6.818 1.00 0.00 H new ATOM 0 HB3 TYR A 316 7.151 2.128 8.187 1.00 0.00 H new ATOM 0 HD1 TYR A 316 10.039 4.209 7.174 1.00 0.00 H new ATOM 0 HD2 TYR A 316 7.350 3.208 10.325 1.00 0.00 H new ATOM 0 HE1 TYR A 316 10.832 6.215 8.498 1.00 0.00 H new ATOM 0 HE2 TYR A 316 8.153 5.218 11.639 1.00 0.00 H new ATOM 0 HH TYR A 316 9.473 6.915 11.681 1.00 0.00 H new ATOM 392 N ASN A 317 8.192 -1.112 8.150 1.00 0.00 N ATOM 393 CA ASN A 317 7.549 -2.317 7.654 1.00 0.00 C ATOM 394 C ASN A 317 6.153 -1.969 7.133 1.00 0.00 C ATOM 395 O ASN A 317 5.733 -2.468 6.091 1.00 0.00 O ATOM 396 CB ASN A 317 7.392 -3.356 8.767 1.00 0.00 C ATOM 397 CG ASN A 317 8.210 -4.613 8.462 1.00 0.00 C ATOM 398 OD1 ASN A 317 7.983 -5.311 7.487 1.00 0.00 O ATOM 399 ND2 ASN A 317 9.170 -4.862 9.348 1.00 0.00 N ATOM 0 H ASN A 317 8.492 -1.159 9.124 1.00 0.00 H new ATOM 0 HA ASN A 317 8.173 -2.729 6.861 1.00 0.00 H new ATOM 0 HB2 ASN A 317 7.715 -2.929 9.716 1.00 0.00 H new ATOM 0 HB3 ASN A 317 6.340 -3.620 8.878 1.00 0.00 H new ATOM 0 HD21 ASN A 317 9.770 -5.679 9.234 1.00 0.00 H new ATOM 0 HD22 ASN A 317 9.306 -4.236 10.142 1.00 0.00 H new ATOM 406 N ASN A 318 5.474 -1.113 7.883 1.00 0.00 N ATOM 407 CA ASN A 318 4.134 -0.692 7.510 1.00 0.00 C ATOM 408 C ASN A 318 3.864 0.700 8.084 1.00 0.00 C ATOM 409 O ASN A 318 4.181 0.971 9.242 1.00 0.00 O ATOM 410 CB ASN A 318 3.079 -1.648 8.071 1.00 0.00 C ATOM 411 CG ASN A 318 3.653 -3.055 8.247 1.00 0.00 C ATOM 412 OD1 ASN A 318 4.042 -3.464 9.329 1.00 0.00 O ATOM 413 ND2 ASN A 318 3.684 -3.770 7.126 1.00 0.00 N ATOM 0 H ASN A 318 5.826 -0.700 8.746 1.00 0.00 H new ATOM 0 HA ASN A 318 4.073 -0.687 6.422 1.00 0.00 H new ATOM 0 HB2 ASN A 318 2.719 -1.276 9.030 1.00 0.00 H new ATOM 0 HB3 ASN A 318 2.221 -1.683 7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 318 4.050 -4.722 7.138 1.00 0.00 H new ATOM 0 HD22 ASN A 318 3.342 -3.366 6.254 1.00 0.00 H new ATOM 420 N ILE A 319 3.280 1.547 7.249 1.00 0.00 N ATOM 421 CA ILE A 319 2.963 2.905 7.660 1.00 0.00 C ATOM 422 C ILE A 319 1.672 3.353 6.971 1.00 0.00 C ATOM 423 O ILE A 319 1.396 2.952 5.841 1.00 0.00 O ATOM 424 CB ILE A 319 4.152 3.833 7.403 1.00 0.00 C ATOM 425 CG1 ILE A 319 3.899 5.223 7.991 1.00 0.00 C ATOM 426 CG2 ILE A 319 4.487 3.894 5.911 1.00 0.00 C ATOM 427 CD1 ILE A 319 5.162 6.083 7.927 1.00 0.00 C ATOM 0 H ILE A 319 3.018 1.320 6.290 1.00 0.00 H new ATOM 0 HA ILE A 319 2.782 2.947 8.734 1.00 0.00 H new ATOM 0 HB ILE A 319 5.023 3.421 7.912 1.00 0.00 H new ATOM 0 HG12 ILE A 319 3.093 5.712 7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 319 3.570 5.130 9.026 1.00 0.00 H new ATOM 0 HG21 ILE A 319 5.336 4.560 5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 319 4.739 2.896 5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 319 3.625 4.270 5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 319 4.955 7.066 8.351 1.00 0.00 H new ATOM 0 HD12 ILE A 319 5.958 5.603 8.496 1.00 0.00 H new ATOM 0 HD13 ILE A 319 5.474 6.194 6.889 1.00 0.00 H new ATOM 439 N THR A 320 0.917 4.178 7.681 1.00 0.00 N ATOM 440 CA THR A 320 -0.338 4.685 7.152 1.00 0.00 C ATOM 441 C THR A 320 -0.092 5.925 6.290 1.00 0.00 C ATOM 442 O THR A 320 0.973 6.536 6.365 1.00 0.00 O ATOM 443 CB THR A 320 -1.278 4.943 8.331 1.00 0.00 C ATOM 444 OG1 THR A 320 -0.632 5.974 9.072 1.00 0.00 O ATOM 445 CG2 THR A 320 -1.334 3.763 9.304 1.00 0.00 C ATOM 0 H THR A 320 1.150 4.508 8.618 1.00 0.00 H new ATOM 0 HA THR A 320 -0.811 3.958 6.492 1.00 0.00 H new ATOM 0 HB THR A 320 -2.280 5.153 7.957 1.00 0.00 H new ATOM 0 HG1 THR A 320 -1.175 6.204 9.854 1.00 0.00 H new ATOM 0 HG21 THR A 320 -2.015 3.998 10.122 1.00 0.00 H new ATOM 0 HG22 THR A 320 -1.689 2.876 8.780 1.00 0.00 H new ATOM 0 HG23 THR A 320 -0.338 3.574 9.704 1.00 0.00 H new ATOM 453 N PHE A 321 -1.094 6.259 5.490 1.00 0.00 N ATOM 454 CA PHE A 321 -0.999 7.414 4.614 1.00 0.00 C ATOM 455 C PHE A 321 -0.752 8.693 5.418 1.00 0.00 C ATOM 456 O PHE A 321 -0.024 9.579 4.973 1.00 0.00 O ATOM 457 CB PHE A 321 -2.339 7.535 3.886 1.00 0.00 C ATOM 458 CG PHE A 321 -2.780 6.253 3.178 1.00 0.00 C ATOM 459 CD1 PHE A 321 -2.059 5.772 2.130 1.00 0.00 C ATOM 460 CD2 PHE A 321 -3.894 5.593 3.596 1.00 0.00 C ATOM 461 CE1 PHE A 321 -2.468 4.582 1.472 1.00 0.00 C ATOM 462 CE2 PHE A 321 -4.303 4.403 2.938 1.00 0.00 C ATOM 463 CZ PHE A 321 -3.581 3.922 1.890 1.00 0.00 C ATOM 0 H PHE A 321 -1.976 5.750 5.430 1.00 0.00 H new ATOM 0 HA PHE A 321 -0.169 7.287 3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 321 -3.106 7.824 4.604 1.00 0.00 H new ATOM 0 HB3 PHE A 321 -2.271 8.338 3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 321 -1.175 6.296 1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 321 -4.467 5.974 4.428 1.00 0.00 H new ATOM 0 HE1 PHE A 321 -1.895 4.201 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 321 -5.188 3.880 3.270 1.00 0.00 H new ATOM 0 HZ PHE A 321 -3.892 3.016 1.390 1.00 0.00 H new ATOM 473 N GLU A 322 -1.372 8.747 6.587 1.00 0.00 N ATOM 474 CA GLU A 322 -1.229 9.902 7.457 1.00 0.00 C ATOM 475 C GLU A 322 0.231 10.065 7.888 1.00 0.00 C ATOM 476 O GLU A 322 0.792 11.155 7.793 1.00 0.00 O ATOM 477 CB GLU A 322 -2.150 9.791 8.673 1.00 0.00 C ATOM 478 CG GLU A 322 -3.610 10.025 8.279 1.00 0.00 C ATOM 479 CD GLU A 322 -4.498 10.153 9.518 1.00 0.00 C ATOM 480 OE1 GLU A 322 -4.675 9.120 10.199 1.00 0.00 O ATOM 481 OE2 GLU A 322 -4.981 11.282 9.756 1.00 0.00 O ATOM 0 H GLU A 322 -1.975 8.010 6.952 1.00 0.00 H new ATOM 0 HA GLU A 322 -1.524 10.791 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 322 -2.045 8.804 9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 322 -1.852 10.520 9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 322 -3.687 10.930 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 322 -3.960 9.199 7.660 1.00 0.00 H new ATOM 488 N GLU A 323 0.803 8.963 8.351 1.00 0.00 N ATOM 489 CA GLU A 323 2.187 8.970 8.796 1.00 0.00 C ATOM 490 C GLU A 323 3.130 9.079 7.597 1.00 0.00 C ATOM 491 O GLU A 323 4.086 9.852 7.623 1.00 0.00 O ATOM 492 CB GLU A 323 2.500 7.725 9.629 1.00 0.00 C ATOM 493 CG GLU A 323 2.054 7.910 11.081 1.00 0.00 C ATOM 494 CD GLU A 323 3.163 8.551 11.917 1.00 0.00 C ATOM 495 OE1 GLU A 323 4.336 8.194 11.675 1.00 0.00 O ATOM 496 OE2 GLU A 323 2.812 9.384 12.781 1.00 0.00 O ATOM 0 H GLU A 323 0.334 8.060 8.428 1.00 0.00 H new ATOM 0 HA GLU A 323 2.340 9.841 9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 323 1.997 6.859 9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 323 3.570 7.521 9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 323 1.161 8.535 11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 323 1.784 6.944 11.508 1.00 0.00 H new ATOM 503 N LEU A 324 2.827 8.294 6.573 1.00 0.00 N ATOM 504 CA LEU A 324 3.636 8.293 5.366 1.00 0.00 C ATOM 505 C LEU A 324 3.690 9.710 4.792 1.00 0.00 C ATOM 506 O LEU A 324 4.745 10.167 4.354 1.00 0.00 O ATOM 507 CB LEU A 324 3.120 7.247 4.376 1.00 0.00 C ATOM 508 CG LEU A 324 4.047 6.918 3.204 1.00 0.00 C ATOM 509 CD1 LEU A 324 5.397 6.397 3.702 1.00 0.00 C ATOM 510 CD2 LEU A 324 3.379 5.941 2.234 1.00 0.00 C ATOM 0 H LEU A 324 2.033 7.655 6.555 1.00 0.00 H new ATOM 0 HA LEU A 324 4.661 8.003 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 324 2.918 6.326 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 324 2.168 7.594 3.974 1.00 0.00 H new ATOM 0 HG LEU A 324 4.240 7.838 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 324 6.037 6.171 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 324 5.874 7.156 4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 324 5.243 5.492 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 324 4.059 5.724 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 324 3.137 5.016 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 324 2.464 6.386 1.842 1.00 0.00 H new ATOM 522 N GLY A 325 2.539 10.366 4.812 1.00 0.00 N ATOM 523 CA GLY A 325 2.441 11.722 4.299 1.00 0.00 C ATOM 524 C GLY A 325 3.179 12.707 5.208 1.00 0.00 C ATOM 525 O GLY A 325 3.724 13.704 4.737 1.00 0.00 O ATOM 0 H GLY A 325 1.666 9.984 5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 325 2.860 11.765 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 325 1.393 12.010 4.220 1.00 0.00 H new ATOM 529 N ALA A 326 3.173 12.393 6.495 1.00 0.00 N ATOM 530 CA ALA A 326 3.834 13.238 7.475 1.00 0.00 C ATOM 531 C ALA A 326 5.350 13.134 7.291 1.00 0.00 C ATOM 532 O ALA A 326 6.082 14.073 7.599 1.00 0.00 O ATOM 533 CB ALA A 326 3.389 12.834 8.882 1.00 0.00 C ATOM 0 H ALA A 326 2.721 11.565 6.882 1.00 0.00 H new ATOM 0 HA ALA A 326 3.554 14.282 7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 326 3.885 13.468 9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 326 2.309 12.953 8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 326 3.655 11.793 9.063 1.00 0.00 H new ATOM 539 N LEU A 327 5.775 11.985 6.788 1.00 0.00 N ATOM 540 CA LEU A 327 7.190 11.746 6.559 1.00 0.00 C ATOM 541 C LEU A 327 7.637 12.512 5.313 1.00 0.00 C ATOM 542 O LEU A 327 8.728 13.080 5.286 1.00 0.00 O ATOM 543 CB LEU A 327 7.477 10.245 6.494 1.00 0.00 C ATOM 544 CG LEU A 327 8.519 9.805 5.463 1.00 0.00 C ATOM 545 CD1 LEU A 327 9.907 10.336 5.826 1.00 0.00 C ATOM 546 CD2 LEU A 327 8.513 8.285 5.292 1.00 0.00 C ATOM 0 H LEU A 327 5.165 11.209 6.532 1.00 0.00 H new ATOM 0 HA LEU A 327 7.780 12.123 7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.808 9.916 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 327 6.543 9.725 6.281 1.00 0.00 H new ATOM 0 HG LEU A 327 8.251 10.238 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 327 10.629 10.009 5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 327 9.883 11.425 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 327 10.199 9.952 6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 327 9.262 7.999 4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 327 8.744 7.811 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 327 7.529 7.961 4.954 1.00 0.00 H new ATOM 558 N LEU A 328 6.771 12.505 4.310 1.00 0.00 N ATOM 559 CA LEU A 328 7.062 13.192 3.064 1.00 0.00 C ATOM 560 C LEU A 328 6.506 14.616 3.129 1.00 0.00 C ATOM 561 O LEU A 328 6.598 15.367 2.160 1.00 0.00 O ATOM 562 CB LEU A 328 6.545 12.384 1.872 1.00 0.00 C ATOM 563 CG LEU A 328 6.514 10.865 2.055 1.00 0.00 C ATOM 564 CD1 LEU A 328 5.245 10.265 1.446 1.00 0.00 C ATOM 565 CD2 LEU A 328 7.781 10.219 1.491 1.00 0.00 C ATOM 0 H LEU A 328 5.867 12.034 4.336 1.00 0.00 H new ATOM 0 HA LEU A 328 8.139 13.276 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 328 5.536 12.723 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 328 7.166 12.613 1.006 1.00 0.00 H new ATOM 0 HG LEU A 328 6.491 10.650 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 328 5.248 9.185 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 328 4.370 10.693 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 328 5.212 10.489 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 328 7.734 9.139 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 328 7.860 10.441 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 328 8.654 10.616 2.010 1.00 0.00 H new ATOM 577 N GLU A 329 5.941 14.944 4.282 1.00 0.00 N ATOM 578 CA GLU A 329 5.370 16.264 4.486 1.00 0.00 C ATOM 579 C GLU A 329 4.173 16.475 3.556 1.00 0.00 C ATOM 580 O GLU A 329 3.664 17.588 3.436 1.00 0.00 O ATOM 581 CB GLU A 329 6.423 17.355 4.281 1.00 0.00 C ATOM 582 CG GLU A 329 7.272 17.541 5.540 1.00 0.00 C ATOM 583 CD GLU A 329 8.628 18.161 5.200 1.00 0.00 C ATOM 584 OE1 GLU A 329 9.460 17.426 4.625 1.00 0.00 O ATOM 585 OE2 GLU A 329 8.803 19.356 5.522 1.00 0.00 O ATOM 0 H GLU A 329 5.867 14.318 5.084 1.00 0.00 H new ATOM 0 HA GLU A 329 5.021 16.332 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 329 7.065 17.092 3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 329 5.933 18.295 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 329 6.744 18.179 6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 329 7.421 16.578 6.028 1.00 0.00 H new ATOM 592 N ILE A 330 3.760 15.388 2.920 1.00 0.00 N ATOM 593 CA ILE A 330 2.633 15.440 2.004 1.00 0.00 C ATOM 594 C ILE A 330 1.405 14.825 2.678 1.00 0.00 C ATOM 595 O ILE A 330 1.528 14.133 3.688 1.00 0.00 O ATOM 596 CB ILE A 330 2.996 14.784 0.671 1.00 0.00 C ATOM 597 CG1 ILE A 330 2.803 13.267 0.735 1.00 0.00 C ATOM 598 CG2 ILE A 330 4.415 15.163 0.241 1.00 0.00 C ATOM 599 CD1 ILE A 330 3.173 12.610 -0.596 1.00 0.00 C ATOM 0 H ILE A 330 4.186 14.467 3.021 1.00 0.00 H new ATOM 0 HA ILE A 330 2.382 16.474 1.766 1.00 0.00 H new ATOM 0 HB ILE A 330 2.316 15.163 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 330 3.419 12.852 1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.766 13.039 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 330 4.647 14.683 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 330 4.484 16.245 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 330 5.125 14.831 0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 330 3.027 11.532 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 330 2.539 13.009 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 330 4.217 12.819 -0.827 1.00 0.00 H new ATOM 611 N PRO A 331 0.218 15.107 2.077 1.00 0.00 N ATOM 612 CA PRO A 331 -1.031 14.589 2.608 1.00 0.00 C ATOM 613 C PRO A 331 -1.186 13.099 2.293 1.00 0.00 C ATOM 614 O PRO A 331 -0.566 12.591 1.360 1.00 0.00 O ATOM 615 CB PRO A 331 -2.114 15.446 1.972 1.00 0.00 C ATOM 616 CG PRO A 331 -1.470 16.100 0.761 1.00 0.00 C ATOM 617 CD PRO A 331 0.035 15.922 0.880 1.00 0.00 C ATOM 0 HA PRO A 331 -1.082 14.647 3.695 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -2.971 14.839 1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -2.480 16.196 2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -1.837 15.645 -0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -1.727 17.158 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 331 0.446 15.430 -0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 331 0.541 16.883 0.974 1.00 0.00 H new ATOM 625 N ALA A 332 -2.016 12.442 3.089 1.00 0.00 N ATOM 626 CA ALA A 332 -2.260 11.021 2.907 1.00 0.00 C ATOM 627 C ALA A 332 -2.808 10.778 1.499 1.00 0.00 C ATOM 628 O ALA A 332 -2.542 9.740 0.896 1.00 0.00 O ATOM 629 CB ALA A 332 -3.210 10.522 3.997 1.00 0.00 C ATOM 0 H ALA A 332 -2.528 12.867 3.862 1.00 0.00 H new ATOM 0 HA ALA A 332 -1.332 10.457 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 332 -3.393 9.456 3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 332 -2.761 10.691 4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 332 -4.154 11.063 3.933 1.00 0.00 H new ATOM 635 N ALA A 333 -3.562 11.755 1.016 1.00 0.00 N ATOM 636 CA ALA A 333 -4.150 11.660 -0.309 1.00 0.00 C ATOM 637 C ALA A 333 -3.034 11.601 -1.354 1.00 0.00 C ATOM 638 O ALA A 333 -3.102 10.813 -2.296 1.00 0.00 O ATOM 639 CB ALA A 333 -5.097 12.841 -0.533 1.00 0.00 C ATOM 0 H ALA A 333 -3.779 12.616 1.519 1.00 0.00 H new ATOM 0 HA ALA A 333 -4.739 10.748 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 333 -5.538 12.770 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 333 -5.887 12.821 0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 333 -4.541 13.775 -0.449 1.00 0.00 H new ATOM 645 N LYS A 334 -2.033 12.445 -1.153 1.00 0.00 N ATOM 646 CA LYS A 334 -0.904 12.499 -2.066 1.00 0.00 C ATOM 647 C LYS A 334 -0.045 11.246 -1.882 1.00 0.00 C ATOM 648 O LYS A 334 0.335 10.601 -2.857 1.00 0.00 O ATOM 649 CB LYS A 334 -0.131 13.807 -1.886 1.00 0.00 C ATOM 650 CG LYS A 334 0.451 14.287 -3.217 1.00 0.00 C ATOM 651 CD LYS A 334 0.300 15.802 -3.367 1.00 0.00 C ATOM 652 CE LYS A 334 0.518 16.233 -4.819 1.00 0.00 C ATOM 653 NZ LYS A 334 0.164 17.660 -4.994 1.00 0.00 N ATOM 0 H LYS A 334 -1.980 13.097 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 334 -1.250 12.500 -3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -0.792 14.571 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 334 0.673 13.662 -1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 334 1.505 14.015 -3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -0.054 13.784 -4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -0.694 16.106 -3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 334 1.018 16.308 -2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 334 1.559 16.073 -5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -0.089 15.617 -5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 0.318 17.937 -5.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -0.836 17.803 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 0.761 18.244 -4.375 1.00 0.00 H new ATOM 667 N ALA A 335 0.237 10.941 -0.624 1.00 0.00 N ATOM 668 CA ALA A 335 1.045 9.778 -0.299 1.00 0.00 C ATOM 669 C ALA A 335 0.309 8.511 -0.742 1.00 0.00 C ATOM 670 O ALA A 335 0.937 7.518 -1.104 1.00 0.00 O ATOM 671 CB ALA A 335 1.359 9.776 1.198 1.00 0.00 C ATOM 0 H ALA A 335 -0.080 11.479 0.183 1.00 0.00 H new ATOM 0 HA ALA A 335 1.996 9.811 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 335 1.965 8.903 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 335 1.907 10.682 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 335 0.429 9.741 1.765 1.00 0.00 H new ATOM 677 N GLU A 336 -1.013 8.588 -0.698 1.00 0.00 N ATOM 678 CA GLU A 336 -1.842 7.461 -1.090 1.00 0.00 C ATOM 679 C GLU A 336 -1.778 7.257 -2.605 1.00 0.00 C ATOM 680 O GLU A 336 -1.592 6.136 -3.077 1.00 0.00 O ATOM 681 CB GLU A 336 -3.286 7.652 -0.622 1.00 0.00 C ATOM 682 CG GLU A 336 -4.169 6.488 -1.077 1.00 0.00 C ATOM 683 CD GLU A 336 -5.607 6.952 -1.318 1.00 0.00 C ATOM 684 OE1 GLU A 336 -6.192 7.505 -0.362 1.00 0.00 O ATOM 685 OE2 GLU A 336 -6.088 6.744 -2.453 1.00 0.00 O ATOM 0 H GLU A 336 -1.531 9.414 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 336 -1.455 6.565 -0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 336 -3.312 7.730 0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 336 -3.680 8.588 -1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 336 -3.764 6.056 -1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 336 -4.158 5.702 -0.322 1.00 0.00 H new ATOM 692 N LYS A 337 -1.938 8.357 -3.325 1.00 0.00 N ATOM 693 CA LYS A 337 -1.901 8.313 -4.777 1.00 0.00 C ATOM 694 C LYS A 337 -0.474 8.007 -5.238 1.00 0.00 C ATOM 695 O LYS A 337 -0.268 7.173 -6.118 1.00 0.00 O ATOM 696 CB LYS A 337 -2.474 9.604 -5.367 1.00 0.00 C ATOM 697 CG LYS A 337 -3.964 9.737 -5.049 1.00 0.00 C ATOM 698 CD LYS A 337 -4.811 9.570 -6.312 1.00 0.00 C ATOM 699 CE LYS A 337 -6.297 9.774 -6.008 1.00 0.00 C ATOM 700 NZ LYS A 337 -6.691 11.176 -6.270 1.00 0.00 N ATOM 0 H LYS A 337 -2.094 9.285 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 337 -2.536 7.509 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 337 -1.935 10.462 -4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 337 -2.327 9.611 -6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 337 -4.251 8.986 -4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 337 -4.159 10.712 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 337 -4.489 10.287 -7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 337 -4.655 8.575 -6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 337 -6.896 9.101 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 337 -6.500 9.521 -4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 -7.702 11.298 -6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 -6.132 11.812 -5.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 -6.516 11.405 -7.269 1.00 0.00 H new ATOM 714 N ILE A 338 0.473 8.698 -4.622 1.00 0.00 N ATOM 715 CA ILE A 338 1.875 8.510 -4.958 1.00 0.00 C ATOM 716 C ILE A 338 2.269 7.057 -4.687 1.00 0.00 C ATOM 717 O ILE A 338 2.894 6.413 -5.527 1.00 0.00 O ATOM 718 CB ILE A 338 2.744 9.531 -4.221 1.00 0.00 C ATOM 719 CG1 ILE A 338 2.294 10.960 -4.532 1.00 0.00 C ATOM 720 CG2 ILE A 338 4.226 9.317 -4.533 1.00 0.00 C ATOM 721 CD1 ILE A 338 3.125 11.562 -5.667 1.00 0.00 C ATOM 0 H ILE A 338 0.298 9.389 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 338 2.041 8.693 -6.020 1.00 0.00 H new ATOM 0 HB ILE A 338 2.615 9.378 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 338 1.240 10.961 -4.808 1.00 0.00 H new ATOM 0 HG13 ILE A 338 2.390 11.578 -3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 338 4.821 10.056 -3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 338 4.523 8.316 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 338 4.392 9.427 -5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 338 2.785 12.578 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 338 4.176 11.582 -5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 338 3.007 10.956 -6.565 1.00 0.00 H new ATOM 733 N ALA A 339 1.888 6.584 -3.509 1.00 0.00 N ATOM 734 CA ALA A 339 2.194 5.219 -3.117 1.00 0.00 C ATOM 735 C ALA A 339 1.598 4.252 -4.141 1.00 0.00 C ATOM 736 O ALA A 339 2.260 3.308 -4.568 1.00 0.00 O ATOM 737 CB ALA A 339 1.671 4.965 -1.702 1.00 0.00 C ATOM 0 H ALA A 339 1.370 7.122 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 339 3.272 5.057 -3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 339 1.900 3.941 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 339 2.148 5.657 -1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 339 0.592 5.115 -1.681 1.00 0.00 H new ATOM 743 N SER A 340 0.353 4.521 -4.506 1.00 0.00 N ATOM 744 CA SER A 340 -0.341 3.687 -5.473 1.00 0.00 C ATOM 745 C SER A 340 0.305 3.836 -6.852 1.00 0.00 C ATOM 746 O SER A 340 0.492 2.850 -7.563 1.00 0.00 O ATOM 747 CB SER A 340 -1.827 4.043 -5.542 1.00 0.00 C ATOM 748 OG SER A 340 -2.160 4.713 -6.755 1.00 0.00 O ATOM 0 H SER A 340 -0.193 5.305 -4.149 1.00 0.00 H new ATOM 0 HA SER A 340 -0.259 2.649 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 340 -2.422 3.134 -5.455 1.00 0.00 H new ATOM 0 HB3 SER A 340 -2.088 4.677 -4.694 1.00 0.00 H new ATOM 0 HG SER A 340 -3.117 4.922 -6.761 1.00 0.00 H new ATOM 754 N GLN A 341 0.629 5.076 -7.187 1.00 0.00 N ATOM 755 CA GLN A 341 1.250 5.367 -8.468 1.00 0.00 C ATOM 756 C GLN A 341 2.615 4.682 -8.564 1.00 0.00 C ATOM 757 O GLN A 341 2.996 4.196 -9.628 1.00 0.00 O ATOM 758 CB GLN A 341 1.377 6.876 -8.686 1.00 0.00 C ATOM 759 CG GLN A 341 0.407 7.358 -9.766 1.00 0.00 C ATOM 760 CD GLN A 341 0.377 8.886 -9.834 1.00 0.00 C ATOM 761 OE1 GLN A 341 0.963 9.581 -9.020 1.00 0.00 O ATOM 762 NE2 GLN A 341 -0.336 9.369 -10.848 1.00 0.00 N ATOM 0 H GLN A 341 0.473 5.891 -6.594 1.00 0.00 H new ATOM 0 HA GLN A 341 0.611 4.972 -9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 341 1.176 7.400 -7.752 1.00 0.00 H new ATOM 0 HB3 GLN A 341 2.399 7.120 -8.975 1.00 0.00 H new ATOM 0 HG2 GLN A 341 0.704 6.953 -10.733 1.00 0.00 H new ATOM 0 HG3 GLN A 341 -0.594 6.980 -9.556 1.00 0.00 H new ATOM 0 HE21 GLN A 341 -0.802 8.731 -11.493 1.00 0.00 H new ATOM 0 HE22 GLN A 341 -0.417 10.377 -10.980 1.00 0.00 H new ATOM 771 N MET A 342 3.313 4.664 -7.438 1.00 0.00 N ATOM 772 CA MET A 342 4.627 4.047 -7.382 1.00 0.00 C ATOM 773 C MET A 342 4.540 2.545 -7.663 1.00 0.00 C ATOM 774 O MET A 342 5.375 1.995 -8.379 1.00 0.00 O ATOM 775 CB MET A 342 5.238 4.272 -5.997 1.00 0.00 C ATOM 776 CG MET A 342 5.705 5.720 -5.833 1.00 0.00 C ATOM 777 SD MET A 342 7.393 5.883 -6.390 1.00 0.00 S ATOM 778 CE MET A 342 8.241 5.060 -5.053 1.00 0.00 C ATOM 0 H MET A 342 2.993 5.067 -6.557 1.00 0.00 H new ATOM 0 HA MET A 342 5.256 4.505 -8.146 1.00 0.00 H new ATOM 0 HB2 MET A 342 4.503 4.034 -5.228 1.00 0.00 H new ATOM 0 HB3 MET A 342 6.081 3.596 -5.853 1.00 0.00 H new ATOM 0 HG2 MET A 342 5.059 6.386 -6.404 1.00 0.00 H new ATOM 0 HG3 MET A 342 5.628 6.020 -4.788 1.00 0.00 H new ATOM 0 HE1 MET A 342 9.258 4.818 -5.362 1.00 0.00 H new ATOM 0 HE2 MET A 342 8.272 5.716 -4.183 1.00 0.00 H new ATOM 0 HE3 MET A 342 7.711 4.143 -4.796 1.00 0.00 H new ATOM 788 N ILE A 343 3.520 1.926 -7.087 1.00 0.00 N ATOM 789 CA ILE A 343 3.313 0.499 -7.267 1.00 0.00 C ATOM 790 C ILE A 343 2.992 0.216 -8.736 1.00 0.00 C ATOM 791 O ILE A 343 3.499 -0.745 -9.312 1.00 0.00 O ATOM 792 CB ILE A 343 2.249 -0.015 -6.295 1.00 0.00 C ATOM 793 CG1 ILE A 343 2.832 -0.200 -4.892 1.00 0.00 C ATOM 794 CG2 ILE A 343 1.600 -1.297 -6.820 1.00 0.00 C ATOM 795 CD1 ILE A 343 1.720 -0.312 -3.847 1.00 0.00 C ATOM 0 H ILE A 343 2.828 2.386 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 343 4.223 -0.051 -7.027 1.00 0.00 H new ATOM 0 HB ILE A 343 1.463 0.736 -6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 343 3.451 -1.097 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 343 3.480 0.642 -4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 343 0.848 -1.641 -6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 343 1.127 -1.098 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 343 2.362 -2.067 -6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 343 2.161 -0.443 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 343 1.117 0.596 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 343 1.088 -1.169 -4.079 1.00 0.00 H new ATOM 807 N THR A 344 2.151 1.070 -9.299 1.00 0.00 N ATOM 808 CA THR A 344 1.756 0.924 -10.690 1.00 0.00 C ATOM 809 C THR A 344 2.946 1.192 -11.613 1.00 0.00 C ATOM 810 O THR A 344 3.054 0.594 -12.683 1.00 0.00 O ATOM 811 CB THR A 344 0.568 1.854 -10.944 1.00 0.00 C ATOM 812 OG1 THR A 344 -0.542 1.163 -10.378 1.00 0.00 O ATOM 813 CG2 THR A 344 0.219 1.965 -12.430 1.00 0.00 C ATOM 0 H THR A 344 1.732 1.866 -8.818 1.00 0.00 H new ATOM 0 HA THR A 344 1.440 -0.097 -10.907 1.00 0.00 H new ATOM 0 HB THR A 344 0.792 2.845 -10.548 1.00 0.00 H new ATOM 0 HG1 THR A 344 -1.355 1.697 -10.497 1.00 0.00 H new ATOM 0 HG21 THR A 344 -0.630 2.636 -12.555 1.00 0.00 H new ATOM 0 HG22 THR A 344 1.076 2.358 -12.977 1.00 0.00 H new ATOM 0 HG23 THR A 344 -0.038 0.979 -12.818 1.00 0.00 H new ATOM 821 N GLU A 345 3.810 2.092 -11.167 1.00 0.00 N ATOM 822 CA GLU A 345 4.988 2.447 -11.939 1.00 0.00 C ATOM 823 C GLU A 345 6.081 1.392 -11.755 1.00 0.00 C ATOM 824 O GLU A 345 7.120 1.449 -12.411 1.00 0.00 O ATOM 825 CB GLU A 345 5.497 3.838 -11.556 1.00 0.00 C ATOM 826 CG GLU A 345 4.587 4.930 -12.120 1.00 0.00 C ATOM 827 CD GLU A 345 5.407 6.121 -12.622 1.00 0.00 C ATOM 828 OE1 GLU A 345 5.988 5.988 -13.720 1.00 0.00 O ATOM 829 OE2 GLU A 345 5.432 7.138 -11.895 1.00 0.00 O ATOM 0 H GLU A 345 3.717 2.586 -10.280 1.00 0.00 H new ATOM 0 HA GLU A 345 4.712 2.476 -12.993 1.00 0.00 H new ATOM 0 HB2 GLU A 345 5.546 3.925 -10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 345 6.511 3.974 -11.932 1.00 0.00 H new ATOM 0 HG2 GLU A 345 3.990 4.525 -12.937 1.00 0.00 H new ATOM 0 HG3 GLU A 345 3.891 5.262 -11.350 1.00 0.00 H new ATOM 836 N GLY A 346 5.809 0.455 -10.859 1.00 0.00 N ATOM 837 CA GLY A 346 6.757 -0.611 -10.579 1.00 0.00 C ATOM 838 C GLY A 346 7.835 -0.143 -9.599 1.00 0.00 C ATOM 839 O GLY A 346 8.645 -0.943 -9.134 1.00 0.00 O ATOM 0 H GLY A 346 4.946 0.411 -10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 346 6.231 -1.470 -10.163 1.00 0.00 H new ATOM 0 HA3 GLY A 346 7.223 -0.941 -11.507 1.00 0.00 H new ATOM 843 N ARG A 347 7.810 1.151 -9.315 1.00 0.00 N ATOM 844 CA ARG A 347 8.775 1.734 -8.398 1.00 0.00 C ATOM 845 C ARG A 347 8.725 1.017 -7.048 1.00 0.00 C ATOM 846 O ARG A 347 9.764 0.688 -6.477 1.00 0.00 O ATOM 847 CB ARG A 347 8.502 3.225 -8.187 1.00 0.00 C ATOM 848 CG ARG A 347 8.804 4.023 -9.456 1.00 0.00 C ATOM 849 CD ARG A 347 9.572 5.305 -9.128 1.00 0.00 C ATOM 850 NE ARG A 347 10.848 4.973 -8.454 1.00 0.00 N ATOM 851 CZ ARG A 347 11.795 5.871 -8.155 1.00 0.00 C ATOM 852 NH1 ARG A 347 11.618 7.162 -8.467 1.00 0.00 N ATOM 853 NH2 ARG A 347 12.921 5.479 -7.543 1.00 0.00 N ATOM 0 H ARG A 347 7.137 1.812 -9.703 1.00 0.00 H new ATOM 0 HA ARG A 347 9.765 1.616 -8.839 1.00 0.00 H new ATOM 0 HB2 ARG A 347 7.460 3.371 -7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 347 9.113 3.597 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 347 9.387 3.411 -10.144 1.00 0.00 H new ATOM 0 HG3 ARG A 347 7.872 4.273 -9.963 1.00 0.00 H new ATOM 0 HD2 ARG A 347 9.769 5.865 -10.042 1.00 0.00 H new ATOM 0 HD3 ARG A 347 8.968 5.946 -8.486 1.00 0.00 H new ATOM 0 HE ARG A 347 11.016 3.999 -8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 347 10.761 7.461 -8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 347 12.340 7.845 -8.239 1.00 0.00 H new ATOM 0 HH21 ARG A 347 13.057 4.496 -7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 347 13.642 6.163 -7.315 1.00 0.00 H new ATOM 867 N MET A 348 7.507 0.796 -6.575 1.00 0.00 N ATOM 868 CA MET A 348 7.308 0.124 -5.303 1.00 0.00 C ATOM 869 C MET A 348 6.661 -1.248 -5.502 1.00 0.00 C ATOM 870 O MET A 348 5.800 -1.413 -6.365 1.00 0.00 O ATOM 871 CB MET A 348 6.417 0.984 -4.405 1.00 0.00 C ATOM 872 CG MET A 348 6.244 0.341 -3.027 1.00 0.00 C ATOM 873 SD MET A 348 4.657 0.785 -2.341 1.00 0.00 S ATOM 874 CE MET A 348 4.712 2.557 -2.552 1.00 0.00 C ATOM 0 H MET A 348 6.648 1.071 -7.051 1.00 0.00 H new ATOM 0 HA MET A 348 8.281 -0.020 -4.834 1.00 0.00 H new ATOM 0 HB2 MET A 348 6.855 1.976 -4.295 1.00 0.00 H new ATOM 0 HB3 MET A 348 5.442 1.116 -4.874 1.00 0.00 H new ATOM 0 HG2 MET A 348 6.323 -0.743 -3.110 1.00 0.00 H new ATOM 0 HG3 MET A 348 7.042 0.669 -2.361 1.00 0.00 H new ATOM 0 HE1 MET A 348 3.993 3.026 -1.880 1.00 0.00 H new ATOM 0 HE2 MET A 348 5.714 2.920 -2.322 1.00 0.00 H new ATOM 0 HE3 MET A 348 4.463 2.809 -3.583 1.00 0.00 H new ATOM 884 N ASN A 349 7.100 -2.198 -4.689 1.00 0.00 N ATOM 885 CA ASN A 349 6.574 -3.550 -4.766 1.00 0.00 C ATOM 886 C ASN A 349 5.651 -3.802 -3.572 1.00 0.00 C ATOM 887 O ASN A 349 6.017 -3.525 -2.431 1.00 0.00 O ATOM 888 CB ASN A 349 7.702 -4.583 -4.718 1.00 0.00 C ATOM 889 CG ASN A 349 7.553 -5.609 -5.843 1.00 0.00 C ATOM 890 OD1 ASN A 349 6.770 -6.542 -5.768 1.00 0.00 O ATOM 891 ND2 ASN A 349 8.347 -5.387 -6.886 1.00 0.00 N ATOM 0 H ASN A 349 7.814 -2.058 -3.974 1.00 0.00 H new ATOM 0 HA ASN A 349 6.034 -3.649 -5.708 1.00 0.00 H new ATOM 0 HB2 ASN A 349 8.665 -4.080 -4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 349 7.694 -5.091 -3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 349 8.324 -6.017 -7.688 1.00 0.00 H new ATOM 0 HD22 ASN A 349 8.979 -4.587 -6.884 1.00 0.00 H new ATOM 898 N GLY A 350 4.472 -4.324 -3.876 1.00 0.00 N ATOM 899 CA GLY A 350 3.494 -4.616 -2.842 1.00 0.00 C ATOM 900 C GLY A 350 2.101 -4.134 -3.253 1.00 0.00 C ATOM 901 O GLY A 350 1.818 -3.982 -4.440 1.00 0.00 O ATOM 0 H GLY A 350 4.172 -4.552 -4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 350 3.470 -5.689 -2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 350 3.789 -4.134 -1.910 1.00 0.00 H new ATOM 905 N PHE A 351 1.268 -3.906 -2.248 1.00 0.00 N ATOM 906 CA PHE A 351 -0.088 -3.443 -2.489 1.00 0.00 C ATOM 907 C PHE A 351 -0.552 -2.501 -1.376 1.00 0.00 C ATOM 908 O PHE A 351 0.064 -2.439 -0.314 1.00 0.00 O ATOM 909 CB PHE A 351 -0.987 -4.681 -2.502 1.00 0.00 C ATOM 910 CG PHE A 351 -1.200 -5.310 -1.123 1.00 0.00 C ATOM 911 CD1 PHE A 351 -2.223 -4.887 -0.334 1.00 0.00 C ATOM 912 CD2 PHE A 351 -0.365 -6.291 -0.687 1.00 0.00 C ATOM 913 CE1 PHE A 351 -2.421 -5.470 0.946 1.00 0.00 C ATOM 914 CE2 PHE A 351 -0.563 -6.875 0.592 1.00 0.00 C ATOM 915 CZ PHE A 351 -1.586 -6.452 1.382 1.00 0.00 C ATOM 0 H PHE A 351 1.506 -4.033 -1.264 1.00 0.00 H new ATOM 0 HA PHE A 351 -0.133 -2.897 -3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 351 -1.956 -4.409 -2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 351 -0.551 -5.427 -3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 351 -2.885 -4.107 -0.681 1.00 0.00 H new ATOM 0 HD2 PHE A 351 0.449 -6.626 -1.313 1.00 0.00 H new ATOM 0 HE1 PHE A 351 -3.234 -5.134 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 351 0.099 -7.655 0.938 1.00 0.00 H new ATOM 0 HZ PHE A 351 -1.736 -6.895 2.355 1.00 0.00 H new ATOM 925 N ILE A 352 -1.635 -1.792 -1.659 1.00 0.00 N ATOM 926 CA ILE A 352 -2.190 -0.857 -0.695 1.00 0.00 C ATOM 927 C ILE A 352 -3.443 -1.465 -0.063 1.00 0.00 C ATOM 928 O ILE A 352 -4.348 -1.905 -0.771 1.00 0.00 O ATOM 929 CB ILE A 352 -2.429 0.506 -1.349 1.00 0.00 C ATOM 930 CG1 ILE A 352 -1.110 1.249 -1.568 1.00 0.00 C ATOM 931 CG2 ILE A 352 -3.426 1.335 -0.537 1.00 0.00 C ATOM 932 CD1 ILE A 352 -1.359 2.677 -2.058 1.00 0.00 C ATOM 0 H ILE A 352 -2.143 -1.846 -2.542 1.00 0.00 H new ATOM 0 HA ILE A 352 -1.482 -0.677 0.114 1.00 0.00 H new ATOM 0 HB ILE A 352 -2.871 0.341 -2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 352 -0.544 1.274 -0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 352 -0.503 0.712 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 352 -3.579 2.299 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 352 -4.376 0.805 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 352 -3.034 1.493 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 352 -0.405 3.183 -2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 352 -1.904 2.648 -3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 352 -1.946 3.219 -1.316 1.00 0.00 H new ATOM 944 N ASP A 353 -3.456 -1.470 1.262 1.00 0.00 N ATOM 945 CA ASP A 353 -4.584 -2.017 1.997 1.00 0.00 C ATOM 946 C ASP A 353 -5.609 -0.909 2.249 1.00 0.00 C ATOM 947 O ASP A 353 -5.361 0.003 3.037 1.00 0.00 O ATOM 948 CB ASP A 353 -4.141 -2.569 3.353 1.00 0.00 C ATOM 949 CG ASP A 353 -5.235 -3.284 4.148 1.00 0.00 C ATOM 950 OD1 ASP A 353 -6.415 -3.109 3.774 1.00 0.00 O ATOM 951 OD2 ASP A 353 -4.867 -3.990 5.112 1.00 0.00 O ATOM 0 H ASP A 353 -2.704 -1.104 1.845 1.00 0.00 H new ATOM 0 HA ASP A 353 -5.015 -2.823 1.403 1.00 0.00 H new ATOM 0 HB2 ASP A 353 -3.316 -3.263 3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 353 -3.754 -1.746 3.955 1.00 0.00 H new ATOM 956 N GLN A 354 -6.737 -1.024 1.564 1.00 0.00 N ATOM 957 CA GLN A 354 -7.800 -0.043 1.704 1.00 0.00 C ATOM 958 C GLN A 354 -8.734 -0.432 2.852 1.00 0.00 C ATOM 959 O GLN A 354 -9.535 0.382 3.309 1.00 0.00 O ATOM 960 CB GLN A 354 -8.577 0.114 0.395 1.00 0.00 C ATOM 961 CG GLN A 354 -7.792 0.960 -0.610 1.00 0.00 C ATOM 962 CD GLN A 354 -8.655 2.095 -1.164 1.00 0.00 C ATOM 963 OE1 GLN A 354 -8.897 3.099 -0.516 1.00 0.00 O ATOM 964 NE2 GLN A 354 -9.106 1.879 -2.397 1.00 0.00 N ATOM 0 H GLN A 354 -6.938 -1.781 0.911 1.00 0.00 H new ATOM 0 HA GLN A 354 -7.349 0.921 1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -8.780 -0.868 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -9.542 0.581 0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 354 -6.906 1.374 -0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -7.445 0.330 -1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -8.866 1.016 -2.884 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -9.692 2.577 -2.855 1.00 0.00 H new ATOM 973 N ILE A 355 -8.600 -1.677 3.286 1.00 0.00 N ATOM 974 CA ILE A 355 -9.421 -2.184 4.371 1.00 0.00 C ATOM 975 C ILE A 355 -8.998 -1.516 5.681 1.00 0.00 C ATOM 976 O ILE A 355 -9.843 -1.129 6.486 1.00 0.00 O ATOM 977 CB ILE A 355 -9.367 -3.712 4.416 1.00 0.00 C ATOM 978 CG1 ILE A 355 -9.782 -4.315 3.072 1.00 0.00 C ATOM 979 CG2 ILE A 355 -10.208 -4.258 5.572 1.00 0.00 C ATOM 980 CD1 ILE A 355 -9.007 -5.603 2.786 1.00 0.00 C ATOM 0 H ILE A 355 -7.934 -2.349 2.905 1.00 0.00 H new ATOM 0 HA ILE A 355 -10.468 -1.930 4.206 1.00 0.00 H new ATOM 0 HB ILE A 355 -8.335 -4.011 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 355 -10.852 -4.524 3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 355 -9.602 -3.594 2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 355 -10.152 -5.347 5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 355 -9.827 -3.868 6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 355 -11.246 -3.949 5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 355 -9.321 -6.011 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 355 -7.939 -5.386 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 355 -9.208 -6.331 3.572 1.00 0.00 H new ATOM 992 N ASP A 356 -7.689 -1.400 5.852 1.00 0.00 N ATOM 993 CA ASP A 356 -7.143 -0.785 7.050 1.00 0.00 C ATOM 994 C ASP A 356 -6.581 0.595 6.699 1.00 0.00 C ATOM 995 O ASP A 356 -6.287 1.393 7.587 1.00 0.00 O ATOM 996 CB ASP A 356 -6.004 -1.625 7.631 1.00 0.00 C ATOM 997 CG ASP A 356 -6.427 -2.642 8.693 1.00 0.00 C ATOM 998 OD1 ASP A 356 -7.626 -2.998 8.692 1.00 0.00 O ATOM 999 OD2 ASP A 356 -5.543 -3.041 9.481 1.00 0.00 O ATOM 0 H ASP A 356 -6.991 -1.721 5.181 1.00 0.00 H new ATOM 0 HA ASP A 356 -7.945 -0.708 7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 356 -5.512 -2.156 6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 356 -5.264 -0.954 8.067 1.00 0.00 H new ATOM 1004 N GLY A 357 -6.448 0.832 5.402 1.00 0.00 N ATOM 1005 CA GLY A 357 -5.927 2.101 4.923 1.00 0.00 C ATOM 1006 C GLY A 357 -4.429 2.222 5.212 1.00 0.00 C ATOM 1007 O GLY A 357 -3.920 3.323 5.413 1.00 0.00 O ATOM 0 H GLY A 357 -6.692 0.167 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -6.103 2.189 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -6.461 2.922 5.402 1.00 0.00 H new ATOM 1011 N ILE A 358 -3.767 1.075 5.224 1.00 0.00 N ATOM 1012 CA ILE A 358 -2.338 1.039 5.485 1.00 0.00 C ATOM 1013 C ILE A 358 -1.603 0.593 4.219 1.00 0.00 C ATOM 1014 O ILE A 358 -2.122 -0.213 3.448 1.00 0.00 O ATOM 1015 CB ILE A 358 -2.038 0.170 6.708 1.00 0.00 C ATOM 1016 CG1 ILE A 358 -2.825 0.651 7.929 1.00 0.00 C ATOM 1017 CG2 ILE A 358 -0.534 0.110 6.983 1.00 0.00 C ATOM 1018 CD1 ILE A 358 -2.861 -0.424 9.017 1.00 0.00 C ATOM 0 H ILE A 358 -4.193 0.164 5.057 1.00 0.00 H new ATOM 0 HA ILE A 358 -1.972 2.035 5.733 1.00 0.00 H new ATOM 0 HB ILE A 358 -2.367 -0.847 6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 358 -2.370 1.559 8.325 1.00 0.00 H new ATOM 0 HG13 ILE A 358 -3.842 0.908 7.633 1.00 0.00 H new ATOM 0 HG21 ILE A 358 -0.349 -0.514 7.857 1.00 0.00 H new ATOM 0 HG22 ILE A 358 -0.023 -0.315 6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 358 -0.158 1.116 7.169 1.00 0.00 H new ATOM 0 HD11 ILE A 358 -3.426 -0.056 9.873 1.00 0.00 H new ATOM 0 HD12 ILE A 358 -3.339 -1.322 8.625 1.00 0.00 H new ATOM 0 HD13 ILE A 358 -1.844 -0.661 9.329 1.00 0.00 H new ATOM 1030 N VAL A 359 -0.408 1.136 4.044 1.00 0.00 N ATOM 1031 CA VAL A 359 0.403 0.804 2.885 1.00 0.00 C ATOM 1032 C VAL A 359 1.296 -0.392 3.219 1.00 0.00 C ATOM 1033 O VAL A 359 2.115 -0.324 4.134 1.00 0.00 O ATOM 1034 CB VAL A 359 1.194 2.033 2.431 1.00 0.00 C ATOM 1035 CG1 VAL A 359 2.259 1.649 1.401 1.00 0.00 C ATOM 1036 CG2 VAL A 359 0.261 3.112 1.879 1.00 0.00 C ATOM 0 H VAL A 359 0.019 1.804 4.686 1.00 0.00 H new ATOM 0 HA VAL A 359 -0.230 0.513 2.046 1.00 0.00 H new ATOM 0 HB VAL A 359 1.703 2.445 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 359 2.807 2.540 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 359 2.951 0.932 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 359 1.779 1.201 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 359 0.848 3.974 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 359 -0.289 2.716 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 359 -0.442 3.416 2.654 1.00 0.00 H new ATOM 1046 N HIS A 360 1.109 -1.460 2.458 1.00 0.00 N ATOM 1047 CA HIS A 360 1.887 -2.670 2.661 1.00 0.00 C ATOM 1048 C HIS A 360 3.187 -2.585 1.858 1.00 0.00 C ATOM 1049 O HIS A 360 3.165 -2.630 0.629 1.00 0.00 O ATOM 1050 CB HIS A 360 1.061 -3.912 2.322 1.00 0.00 C ATOM 1051 CG HIS A 360 0.209 -4.414 3.464 1.00 0.00 C ATOM 1052 ND1 HIS A 360 0.485 -5.586 4.146 1.00 0.00 N ATOM 1053 CD2 HIS A 360 -0.913 -3.890 4.035 1.00 0.00 C ATOM 1054 CE1 HIS A 360 -0.437 -5.750 5.084 1.00 0.00 C ATOM 1055 NE2 HIS A 360 -1.302 -4.699 5.013 1.00 0.00 N ATOM 0 H HIS A 360 0.429 -1.513 1.699 1.00 0.00 H new ATOM 0 HA HIS A 360 2.156 -2.761 3.713 1.00 0.00 H new ATOM 0 HB2 HIS A 360 0.416 -3.686 1.473 1.00 0.00 H new ATOM 0 HB3 HIS A 360 1.735 -4.709 2.007 1.00 0.00 H new ATOM 0 HD2 HIS A 360 -1.402 -2.973 3.742 1.00 0.00 H new ATOM 0 HE1 HIS A 360 -0.493 -6.572 5.782 1.00 0.00 H new ATOM 0 HE2 HIS A 360 -2.115 -4.557 5.613 1.00 0.00 H new ATOM 1063 N PHE A 361 4.288 -2.464 2.585 1.00 0.00 N ATOM 1064 CA PHE A 361 5.594 -2.372 1.955 1.00 0.00 C ATOM 1065 C PHE A 361 6.329 -3.712 2.021 1.00 0.00 C ATOM 1066 O PHE A 361 6.099 -4.507 2.931 1.00 0.00 O ATOM 1067 CB PHE A 361 6.394 -1.326 2.734 1.00 0.00 C ATOM 1068 CG PHE A 361 6.081 0.118 2.338 1.00 0.00 C ATOM 1069 CD1 PHE A 361 6.105 0.484 1.028 1.00 0.00 C ATOM 1070 CD2 PHE A 361 5.778 1.035 3.295 1.00 0.00 C ATOM 1071 CE1 PHE A 361 5.814 1.825 0.661 1.00 0.00 C ATOM 1072 CE2 PHE A 361 5.487 2.376 2.928 1.00 0.00 C ATOM 1073 CZ PHE A 361 5.511 2.742 1.618 1.00 0.00 C ATOM 0 H PHE A 361 4.302 -2.428 3.604 1.00 0.00 H new ATOM 0 HA PHE A 361 5.483 -2.100 0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 361 6.196 -1.451 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 361 7.458 -1.511 2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 361 6.345 -0.244 0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 361 5.759 0.744 4.335 1.00 0.00 H new ATOM 0 HE1 PHE A 361 5.833 2.116 -0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 361 5.247 3.104 3.688 1.00 0.00 H new ATOM 0 HZ PHE A 361 5.289 3.761 1.338 1.00 0.00 H new ATOM 1083 N GLU A 362 7.200 -3.922 1.044 1.00 0.00 N ATOM 1084 CA GLU A 362 7.971 -5.152 0.980 1.00 0.00 C ATOM 1085 C GLU A 362 9.174 -5.074 1.922 1.00 0.00 C ATOM 1086 O GLU A 362 9.793 -4.020 2.059 1.00 0.00 O ATOM 1087 CB GLU A 362 8.415 -5.446 -0.454 1.00 0.00 C ATOM 1088 CG GLU A 362 9.531 -4.494 -0.888 1.00 0.00 C ATOM 1089 CD GLU A 362 10.082 -4.885 -2.261 1.00 0.00 C ATOM 1090 OE1 GLU A 362 10.293 -6.101 -2.463 1.00 0.00 O ATOM 1091 OE2 GLU A 362 10.281 -3.960 -3.078 1.00 0.00 O ATOM 0 H GLU A 362 7.389 -3.261 0.291 1.00 0.00 H new ATOM 0 HA GLU A 362 7.334 -5.975 1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 362 8.762 -6.477 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 362 7.565 -5.348 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 362 9.150 -3.473 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 362 10.335 -4.510 -0.152 1.00 0.00 H new