USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=9 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 Set 1.1: A 307 HIS : no HD1:sc= -0.0755 X(o=-0.076,f=-0.0093) USER MOD Set 1.2: A 311 SER OG : rot 180:sc= 0 USER MOD Single : A 308 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 313 SER OG : rot -71:sc= 0.497 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= -0.0136 X(o=-0.014,f=-0.09) USER MOD Single : A 318 ASN : amide:sc= -3.82 K(o=-3.8,f=-0.89) USER MOD Single : A 320 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 334 LYS NZ :NH3+ -155:sc= -0.038 (180deg=-0.391) USER MOD Single : A 337 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot 180:sc= -0.0039 USER MOD Single : A 341 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.5!) USER MOD Single : A 342 MET CE :methyl 157:sc= -2.41 (180deg=-4.93!) USER MOD Single : A 344 THR OG1 : rot 88:sc= 0.375 USER MOD Single : A 348 MET CE :methyl 158:sc= -1.24 (180deg=-2.65!) USER MOD Single : A 349 ASN : amide:sc= -0.322 K(o=-0.32,f=-3.1!) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 360 HIS : no HD1:sc= -1.53 X(o=-1.5,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 145 N ARG A 302 9.034 15.272 -6.481 1.00 0.00 N ATOM 146 CA ARG A 302 8.269 14.037 -6.478 1.00 0.00 C ATOM 147 C ARG A 302 9.206 12.832 -6.368 1.00 0.00 C ATOM 148 O ARG A 302 8.843 11.810 -5.787 1.00 0.00 O ATOM 149 CB ARG A 302 7.429 13.907 -7.750 1.00 0.00 C ATOM 150 CG ARG A 302 6.592 12.626 -7.726 1.00 0.00 C ATOM 151 CD ARG A 302 5.396 12.770 -6.783 1.00 0.00 C ATOM 152 NE ARG A 302 4.166 12.284 -7.447 1.00 0.00 N ATOM 153 CZ ARG A 302 3.999 11.032 -7.896 1.00 0.00 C ATOM 154 NH1 ARG A 302 4.982 10.133 -7.754 1.00 0.00 N ATOM 155 NH2 ARG A 302 2.849 10.680 -8.486 1.00 0.00 N ATOM 0 HA ARG A 302 7.602 14.062 -5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 302 6.773 14.772 -7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 302 8.082 13.903 -8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 302 6.241 12.398 -8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 302 7.212 11.788 -7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 302 5.573 12.204 -5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 302 5.275 13.814 -6.493 1.00 0.00 H new ATOM 0 HE ARG A 302 3.397 12.943 -7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 302 5.857 10.401 -7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 302 4.855 9.180 -8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 302 2.101 11.365 -8.594 1.00 0.00 H new ATOM 0 HH22 ARG A 302 2.722 9.727 -8.828 1.00 0.00 H new ATOM 169 N ALA A 303 10.392 12.992 -6.936 1.00 0.00 N ATOM 170 CA ALA A 303 11.384 11.931 -6.909 1.00 0.00 C ATOM 171 C ALA A 303 11.707 11.577 -5.456 1.00 0.00 C ATOM 172 O ALA A 303 11.984 10.420 -5.142 1.00 0.00 O ATOM 173 CB ALA A 303 12.623 12.369 -7.691 1.00 0.00 C ATOM 0 H ALA A 303 10.688 13.841 -7.418 1.00 0.00 H new ATOM 0 HA ALA A 303 10.997 11.032 -7.389 1.00 0.00 H new ATOM 0 HB1 ALA A 303 13.367 11.572 -7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 303 12.346 12.580 -8.724 1.00 0.00 H new ATOM 0 HB3 ALA A 303 13.041 13.268 -7.237 1.00 0.00 H new ATOM 179 N VAL A 304 11.661 12.594 -4.608 1.00 0.00 N ATOM 180 CA VAL A 304 11.945 12.405 -3.196 1.00 0.00 C ATOM 181 C VAL A 304 10.811 11.602 -2.555 1.00 0.00 C ATOM 182 O VAL A 304 11.060 10.665 -1.799 1.00 0.00 O ATOM 183 CB VAL A 304 12.173 13.759 -2.522 1.00 0.00 C ATOM 184 CG1 VAL A 304 12.179 13.620 -0.999 1.00 0.00 C ATOM 185 CG2 VAL A 304 13.468 14.407 -3.018 1.00 0.00 C ATOM 0 H VAL A 304 11.431 13.552 -4.872 1.00 0.00 H new ATOM 0 HA VAL A 304 12.863 11.833 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 304 11.344 14.412 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 304 12.343 14.597 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 304 11.221 13.222 -0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 304 12.978 12.942 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 304 13.606 15.368 -2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 304 14.312 13.756 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 304 13.409 14.559 -4.096 1.00 0.00 H new ATOM 195 N ILE A 305 9.590 11.999 -2.881 1.00 0.00 N ATOM 196 CA ILE A 305 8.417 11.328 -2.347 1.00 0.00 C ATOM 197 C ILE A 305 8.446 9.855 -2.758 1.00 0.00 C ATOM 198 O ILE A 305 8.105 8.978 -1.965 1.00 0.00 O ATOM 199 CB ILE A 305 7.142 12.060 -2.770 1.00 0.00 C ATOM 200 CG1 ILE A 305 6.934 13.326 -1.938 1.00 0.00 C ATOM 201 CG2 ILE A 305 5.929 11.128 -2.709 1.00 0.00 C ATOM 202 CD1 ILE A 305 8.199 14.187 -1.924 1.00 0.00 C ATOM 0 H ILE A 305 9.387 12.777 -3.509 1.00 0.00 H new ATOM 0 HA ILE A 305 8.426 11.355 -1.257 1.00 0.00 H new ATOM 0 HB ILE A 305 7.257 12.373 -3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 305 6.103 13.901 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 305 6.663 13.055 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 305 5.036 11.673 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 305 6.085 10.283 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 305 5.801 10.764 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 305 8.024 15.081 -1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 305 9.022 13.617 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 305 8.453 14.477 -2.944 1.00 0.00 H new ATOM 214 N GLU A 306 8.857 9.627 -3.997 1.00 0.00 N ATOM 215 CA GLU A 306 8.935 8.275 -4.523 1.00 0.00 C ATOM 216 C GLU A 306 10.068 7.505 -3.841 1.00 0.00 C ATOM 217 O GLU A 306 9.873 6.376 -3.392 1.00 0.00 O ATOM 218 CB GLU A 306 9.117 8.287 -6.042 1.00 0.00 C ATOM 219 CG GLU A 306 7.767 8.397 -6.755 1.00 0.00 C ATOM 220 CD GLU A 306 7.840 7.801 -8.162 1.00 0.00 C ATOM 221 OE1 GLU A 306 8.679 8.297 -8.946 1.00 0.00 O ATOM 222 OE2 GLU A 306 7.057 6.863 -8.423 1.00 0.00 O ATOM 0 H GLU A 306 9.140 10.356 -4.652 1.00 0.00 H new ATOM 0 HA GLU A 306 7.995 7.767 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 306 9.753 9.124 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 306 9.626 7.377 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 306 7.003 7.879 -6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 306 7.467 9.443 -6.814 1.00 0.00 H new ATOM 229 N HIS A 307 11.226 8.145 -3.786 1.00 0.00 N ATOM 230 CA HIS A 307 12.390 7.535 -3.167 1.00 0.00 C ATOM 231 C HIS A 307 12.079 7.201 -1.706 1.00 0.00 C ATOM 232 O HIS A 307 12.328 6.084 -1.254 1.00 0.00 O ATOM 233 CB HIS A 307 13.620 8.431 -3.320 1.00 0.00 C ATOM 234 CG HIS A 307 14.913 7.777 -2.896 1.00 0.00 C ATOM 235 ND1 HIS A 307 15.884 7.379 -3.798 1.00 0.00 N ATOM 236 CD2 HIS A 307 15.386 7.457 -1.657 1.00 0.00 C ATOM 237 CE1 HIS A 307 16.890 6.844 -3.122 1.00 0.00 C ATOM 238 NE2 HIS A 307 16.579 6.893 -1.795 1.00 0.00 N ATOM 0 H HIS A 307 11.383 9.081 -4.160 1.00 0.00 H new ATOM 0 HA HIS A 307 12.628 6.601 -3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 307 13.705 8.739 -4.362 1.00 0.00 H new ATOM 0 HB3 HIS A 307 13.473 9.336 -2.731 1.00 0.00 H new ATOM 0 HD2 HIS A 307 14.876 7.633 -0.722 1.00 0.00 H new ATOM 0 HE1 HIS A 307 17.797 6.440 -3.547 1.00 0.00 H new ATOM 0 HE2 HIS A 307 17.167 6.552 -1.034 1.00 0.00 H new ATOM 246 N ASN A 308 11.538 8.189 -1.009 1.00 0.00 N ATOM 247 CA ASN A 308 11.190 8.015 0.391 1.00 0.00 C ATOM 248 C ASN A 308 10.267 6.803 0.535 1.00 0.00 C ATOM 249 O ASN A 308 10.403 6.023 1.477 1.00 0.00 O ATOM 250 CB ASN A 308 10.449 9.239 0.931 1.00 0.00 C ATOM 251 CG ASN A 308 11.238 9.902 2.062 1.00 0.00 C ATOM 252 OD1 ASN A 308 11.319 9.403 3.173 1.00 0.00 O ATOM 253 ND2 ASN A 308 11.814 11.051 1.720 1.00 0.00 N ATOM 0 H ASN A 308 11.332 9.113 -1.388 1.00 0.00 H new ATOM 0 HA ASN A 308 12.113 7.876 0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 308 10.288 9.956 0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 308 9.465 8.942 1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 308 12.363 11.570 2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 308 11.707 11.413 0.773 1.00 0.00 H new ATOM 260 N LEU A 309 9.350 6.682 -0.413 1.00 0.00 N ATOM 261 CA LEU A 309 8.405 5.578 -0.403 1.00 0.00 C ATOM 262 C LEU A 309 9.167 4.258 -0.541 1.00 0.00 C ATOM 263 O LEU A 309 8.785 3.251 0.052 1.00 0.00 O ATOM 264 CB LEU A 309 7.331 5.782 -1.473 1.00 0.00 C ATOM 265 CG LEU A 309 6.047 6.474 -1.011 1.00 0.00 C ATOM 266 CD1 LEU A 309 5.564 7.486 -2.053 1.00 0.00 C ATOM 267 CD2 LEU A 309 4.966 5.449 -0.664 1.00 0.00 C ATOM 0 H LEU A 309 9.241 7.330 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 309 7.873 5.542 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 309 7.763 6.366 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 309 7.067 4.808 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 309 6.268 7.030 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 309 4.650 7.964 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 309 6.332 8.243 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 309 5.365 6.973 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 309 4.064 5.967 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 309 4.741 4.846 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 309 5.322 4.802 0.138 1.00 0.00 H new ATOM 279 N LEU A 310 10.232 4.307 -1.329 1.00 0.00 N ATOM 280 CA LEU A 310 11.051 3.128 -1.552 1.00 0.00 C ATOM 281 C LEU A 310 11.854 2.822 -0.286 1.00 0.00 C ATOM 282 O LEU A 310 12.039 1.659 0.070 1.00 0.00 O ATOM 283 CB LEU A 310 11.917 3.306 -2.801 1.00 0.00 C ATOM 284 CG LEU A 310 11.178 3.269 -4.141 1.00 0.00 C ATOM 285 CD1 LEU A 310 12.155 3.410 -5.309 1.00 0.00 C ATOM 286 CD2 LEU A 310 10.321 2.007 -4.259 1.00 0.00 C ATOM 0 H LEU A 310 10.546 5.144 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 310 10.422 2.260 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 310 12.440 4.259 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 310 12.677 2.525 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 310 10.501 4.123 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 310 11.605 3.381 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 310 12.684 4.359 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 310 12.873 2.591 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 310 9.807 2.005 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 310 10.959 1.126 -4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 310 9.586 1.990 -3.454 1.00 0.00 H new ATOM 298 N SER A 311 12.308 3.886 0.359 1.00 0.00 N ATOM 299 CA SER A 311 13.087 3.746 1.578 1.00 0.00 C ATOM 300 C SER A 311 12.174 3.347 2.739 1.00 0.00 C ATOM 301 O SER A 311 12.525 2.483 3.541 1.00 0.00 O ATOM 302 CB SER A 311 13.830 5.042 1.909 1.00 0.00 C ATOM 303 OG SER A 311 14.889 5.299 0.990 1.00 0.00 O ATOM 0 H SER A 311 12.152 4.849 0.061 1.00 0.00 H new ATOM 0 HA SER A 311 13.829 2.963 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 311 13.128 5.876 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 311 14.234 4.981 2.920 1.00 0.00 H new ATOM 0 HG SER A 311 15.338 6.135 1.234 1.00 0.00 H new ATOM 309 N ALA A 312 11.020 3.996 2.792 1.00 0.00 N ATOM 310 CA ALA A 312 10.054 3.719 3.842 1.00 0.00 C ATOM 311 C ALA A 312 9.640 2.248 3.773 1.00 0.00 C ATOM 312 O ALA A 312 9.177 1.683 4.763 1.00 0.00 O ATOM 313 CB ALA A 312 8.861 4.667 3.701 1.00 0.00 C ATOM 0 H ALA A 312 10.732 4.712 2.125 1.00 0.00 H new ATOM 0 HA ALA A 312 10.494 3.892 4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 312 8.136 4.459 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 312 9.204 5.698 3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 312 8.392 4.519 2.728 1.00 0.00 H new ATOM 319 N SER A 313 9.821 1.669 2.595 1.00 0.00 N ATOM 320 CA SER A 313 9.473 0.274 2.385 1.00 0.00 C ATOM 321 C SER A 313 10.448 -0.629 3.143 1.00 0.00 C ATOM 322 O SER A 313 10.059 -1.679 3.652 1.00 0.00 O ATOM 323 CB SER A 313 9.474 -0.075 0.896 1.00 0.00 C ATOM 324 OG SER A 313 10.758 -0.500 0.448 1.00 0.00 O ATOM 0 H SER A 313 10.204 2.141 1.776 1.00 0.00 H new ATOM 0 HA SER A 313 8.466 0.111 2.768 1.00 0.00 H new ATOM 0 HB2 SER A 313 8.745 -0.863 0.708 1.00 0.00 H new ATOM 0 HB3 SER A 313 9.159 0.795 0.320 1.00 0.00 H new ATOM 0 HG SER A 313 11.368 0.267 0.429 1.00 0.00 H new ATOM 330 N LYS A 314 11.696 -0.187 3.194 1.00 0.00 N ATOM 331 CA LYS A 314 12.729 -0.943 3.882 1.00 0.00 C ATOM 332 C LYS A 314 13.090 -0.233 5.188 1.00 0.00 C ATOM 333 O LYS A 314 14.247 -0.243 5.605 1.00 0.00 O ATOM 334 CB LYS A 314 13.926 -1.175 2.958 1.00 0.00 C ATOM 335 CG LYS A 314 13.517 -1.979 1.722 1.00 0.00 C ATOM 336 CD LYS A 314 14.685 -2.112 0.742 1.00 0.00 C ATOM 337 CE LYS A 314 14.745 -0.911 -0.205 1.00 0.00 C ATOM 338 NZ LYS A 314 14.159 -1.258 -1.518 1.00 0.00 N ATOM 0 H LYS A 314 12.015 0.684 2.771 1.00 0.00 H new ATOM 0 HA LYS A 314 12.363 -1.934 4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 314 14.344 -0.216 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 314 14.710 -1.706 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 314 13.177 -2.969 2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 314 12.677 -1.491 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 314 15.621 -2.191 1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 314 14.577 -3.030 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 314 14.205 -0.070 0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 314 15.780 -0.593 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 314 14.207 -0.433 -2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 314 14.691 -2.047 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 314 13.166 -1.539 -1.391 1.00 0.00 H new ATOM 352 N LEU A 315 12.077 0.365 5.798 1.00 0.00 N ATOM 353 CA LEU A 315 12.273 1.078 7.049 1.00 0.00 C ATOM 354 C LEU A 315 11.125 0.747 8.005 1.00 0.00 C ATOM 355 O LEU A 315 11.300 -0.025 8.946 1.00 0.00 O ATOM 356 CB LEU A 315 12.445 2.576 6.791 1.00 0.00 C ATOM 357 CG LEU A 315 13.848 3.030 6.382 1.00 0.00 C ATOM 358 CD1 LEU A 315 13.792 4.333 5.583 1.00 0.00 C ATOM 359 CD2 LEU A 315 14.764 3.145 7.603 1.00 0.00 C ATOM 0 H LEU A 315 11.118 0.370 5.449 1.00 0.00 H new ATOM 0 HA LEU A 315 13.195 0.753 7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 315 11.746 2.872 6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 315 12.159 3.115 7.694 1.00 0.00 H new ATOM 0 HG LEU A 315 14.276 2.270 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 315 14.802 4.633 5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 315 13.197 4.182 4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 315 13.336 5.114 6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 315 15.755 3.469 7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 315 14.350 3.873 8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 315 14.840 2.175 8.094 1.00 0.00 H new ATOM 371 N TYR A 316 9.977 1.348 7.730 1.00 0.00 N ATOM 372 CA TYR A 316 8.800 1.126 8.554 1.00 0.00 C ATOM 373 C TYR A 316 8.105 -0.183 8.176 1.00 0.00 C ATOM 374 O TYR A 316 8.157 -0.607 7.022 1.00 0.00 O ATOM 375 CB TYR A 316 7.856 2.294 8.263 1.00 0.00 C ATOM 376 CG TYR A 316 8.341 3.638 8.812 1.00 0.00 C ATOM 377 CD1 TYR A 316 9.246 4.390 8.092 1.00 0.00 C ATOM 378 CD2 TYR A 316 7.873 4.097 10.026 1.00 0.00 C ATOM 379 CE1 TYR A 316 9.703 5.655 8.608 1.00 0.00 C ATOM 380 CE2 TYR A 316 8.329 5.362 10.542 1.00 0.00 C ATOM 381 CZ TYR A 316 9.222 6.078 9.807 1.00 0.00 C ATOM 382 OH TYR A 316 9.653 7.273 10.295 1.00 0.00 O ATOM 0 H TYR A 316 9.836 1.988 6.949 1.00 0.00 H new ATOM 0 HA TYR A 316 9.075 1.063 9.607 1.00 0.00 H new ATOM 0 HB2 TYR A 316 7.723 2.380 7.185 1.00 0.00 H new ATOM 0 HB3 TYR A 316 6.877 2.071 8.688 1.00 0.00 H new ATOM 0 HD1 TYR A 316 9.612 4.030 7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 316 7.165 3.508 10.589 1.00 0.00 H new ATOM 0 HE1 TYR A 316 10.412 6.254 8.055 1.00 0.00 H new ATOM 0 HE2 TYR A 316 7.970 5.733 11.491 1.00 0.00 H new ATOM 0 HH TYR A 316 9.225 7.447 11.159 1.00 0.00 H new ATOM 392 N ASN A 317 7.469 -0.787 9.169 1.00 0.00 N ATOM 393 CA ASN A 317 6.764 -2.039 8.955 1.00 0.00 C ATOM 394 C ASN A 317 5.380 -1.746 8.372 1.00 0.00 C ATOM 395 O ASN A 317 4.937 -2.422 7.445 1.00 0.00 O ATOM 396 CB ASN A 317 6.573 -2.795 10.271 1.00 0.00 C ATOM 397 CG ASN A 317 7.920 -3.216 10.862 1.00 0.00 C ATOM 398 OD1 ASN A 317 8.767 -3.789 10.197 1.00 0.00 O ATOM 399 ND2 ASN A 317 8.069 -2.901 12.145 1.00 0.00 N ATOM 0 H ASN A 317 7.427 -0.432 10.124 1.00 0.00 H new ATOM 0 HA ASN A 317 7.357 -2.648 8.272 1.00 0.00 H new ATOM 0 HB2 ASN A 317 6.041 -2.164 10.983 1.00 0.00 H new ATOM 0 HB3 ASN A 317 5.955 -3.677 10.102 1.00 0.00 H new ATOM 0 HD21 ASN A 317 8.933 -3.140 12.632 1.00 0.00 H new ATOM 0 HD22 ASN A 317 7.319 -2.421 12.643 1.00 0.00 H new ATOM 406 N ASN A 318 4.734 -0.738 8.941 1.00 0.00 N ATOM 407 CA ASN A 318 3.410 -0.348 8.490 1.00 0.00 C ATOM 408 C ASN A 318 3.168 1.122 8.840 1.00 0.00 C ATOM 409 O ASN A 318 3.482 1.559 9.946 1.00 0.00 O ATOM 410 CB ASN A 318 2.326 -1.182 9.176 1.00 0.00 C ATOM 411 CG ASN A 318 2.813 -1.706 10.529 1.00 0.00 C ATOM 412 OD1 ASN A 318 2.464 -1.199 11.582 1.00 0.00 O ATOM 413 ND2 ASN A 318 3.635 -2.748 10.441 1.00 0.00 N ATOM 0 H ASN A 318 5.104 -0.180 9.711 1.00 0.00 H new ATOM 0 HA ASN A 318 3.361 -0.508 7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 318 1.431 -0.576 9.317 1.00 0.00 H new ATOM 0 HB3 ASN A 318 2.047 -2.019 8.536 1.00 0.00 H new ATOM 0 HD21 ASN A 318 4.014 -3.172 11.288 1.00 0.00 H new ATOM 0 HD22 ASN A 318 3.887 -3.123 9.527 1.00 0.00 H new ATOM 420 N ILE A 319 2.613 1.843 7.878 1.00 0.00 N ATOM 421 CA ILE A 319 2.326 3.254 8.071 1.00 0.00 C ATOM 422 C ILE A 319 1.054 3.621 7.304 1.00 0.00 C ATOM 423 O ILE A 319 0.793 3.078 6.232 1.00 0.00 O ATOM 424 CB ILE A 319 3.540 4.105 7.691 1.00 0.00 C ATOM 425 CG1 ILE A 319 3.275 5.588 7.956 1.00 0.00 C ATOM 426 CG2 ILE A 319 3.958 3.847 6.242 1.00 0.00 C ATOM 427 CD1 ILE A 319 4.376 6.459 7.348 1.00 0.00 C ATOM 0 H ILE A 319 2.354 1.477 6.962 1.00 0.00 H new ATOM 0 HA ILE A 319 2.136 3.463 9.124 1.00 0.00 H new ATOM 0 HB ILE A 319 4.376 3.810 8.325 1.00 0.00 H new ATOM 0 HG12 ILE A 319 2.310 5.869 7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 319 3.218 5.765 9.030 1.00 0.00 H new ATOM 0 HG21 ILE A 319 4.823 4.464 5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 319 4.217 2.795 6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 319 3.133 4.098 5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 319 4.163 7.509 7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 319 5.336 6.192 7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 319 4.414 6.298 6.271 1.00 0.00 H new ATOM 439 N THR A 320 0.297 4.541 7.884 1.00 0.00 N ATOM 440 CA THR A 320 -0.942 4.987 7.269 1.00 0.00 C ATOM 441 C THR A 320 -0.674 6.155 6.318 1.00 0.00 C ATOM 442 O THR A 320 0.374 6.795 6.394 1.00 0.00 O ATOM 443 CB THR A 320 -1.929 5.327 8.387 1.00 0.00 C ATOM 444 OG1 THR A 320 -3.144 5.618 7.701 1.00 0.00 O ATOM 445 CG2 THR A 320 -1.581 6.636 9.098 1.00 0.00 C ATOM 0 H THR A 320 0.518 4.990 8.773 1.00 0.00 H new ATOM 0 HA THR A 320 -1.384 4.203 6.654 1.00 0.00 H new ATOM 0 HB THR A 320 -1.949 4.514 9.113 1.00 0.00 H new ATOM 0 HG1 THR A 320 -3.840 5.847 8.352 1.00 0.00 H new ATOM 0 HG21 THR A 320 -2.313 6.830 9.882 1.00 0.00 H new ATOM 0 HG22 THR A 320 -0.588 6.557 9.540 1.00 0.00 H new ATOM 0 HG23 THR A 320 -1.594 7.455 8.379 1.00 0.00 H new ATOM 453 N PHE A 321 -1.640 6.399 5.445 1.00 0.00 N ATOM 454 CA PHE A 321 -1.523 7.479 4.480 1.00 0.00 C ATOM 455 C PHE A 321 -1.281 8.817 5.182 1.00 0.00 C ATOM 456 O PHE A 321 -0.500 9.640 4.706 1.00 0.00 O ATOM 457 CB PHE A 321 -2.849 7.547 3.720 1.00 0.00 C ATOM 458 CG PHE A 321 -3.244 6.235 3.040 1.00 0.00 C ATOM 459 CD1 PHE A 321 -2.523 5.773 1.983 1.00 0.00 C ATOM 460 CD2 PHE A 321 -4.316 5.531 3.492 1.00 0.00 C ATOM 461 CE1 PHE A 321 -2.890 4.555 1.352 1.00 0.00 C ATOM 462 CE2 PHE A 321 -4.683 4.313 2.860 1.00 0.00 C ATOM 463 CZ PHE A 321 -3.962 3.851 1.803 1.00 0.00 C ATOM 0 H PHE A 321 -2.508 5.867 5.386 1.00 0.00 H new ATOM 0 HA PHE A 321 -0.682 7.292 3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 321 -3.639 7.837 4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 321 -2.784 8.330 2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 321 -1.672 6.332 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 321 -4.888 5.898 4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 321 -2.317 4.188 0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 321 -5.534 3.754 3.219 1.00 0.00 H new ATOM 0 HZ PHE A 321 -4.241 2.925 1.322 1.00 0.00 H new ATOM 473 N GLU A 322 -1.967 8.993 6.302 1.00 0.00 N ATOM 474 CA GLU A 322 -1.837 10.217 7.074 1.00 0.00 C ATOM 475 C GLU A 322 -0.396 10.388 7.559 1.00 0.00 C ATOM 476 O GLU A 322 0.182 11.467 7.432 1.00 0.00 O ATOM 477 CB GLU A 322 -2.816 10.230 8.250 1.00 0.00 C ATOM 478 CG GLU A 322 -4.259 10.368 7.760 1.00 0.00 C ATOM 479 CD GLU A 322 -5.248 9.910 8.833 1.00 0.00 C ATOM 480 OE1 GLU A 322 -5.503 8.688 8.886 1.00 0.00 O ATOM 481 OE2 GLU A 322 -5.728 10.793 9.576 1.00 0.00 O ATOM 0 H GLU A 322 -2.614 8.309 6.693 1.00 0.00 H new ATOM 0 HA GLU A 322 -2.085 11.059 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 322 -2.710 9.311 8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 322 -2.575 11.056 8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 322 -4.459 11.406 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 322 -4.398 9.776 6.856 1.00 0.00 H new ATOM 488 N GLU A 323 0.144 9.308 8.105 1.00 0.00 N ATOM 489 CA GLU A 323 1.506 9.325 8.609 1.00 0.00 C ATOM 490 C GLU A 323 2.502 9.367 7.448 1.00 0.00 C ATOM 491 O GLU A 323 3.439 10.164 7.458 1.00 0.00 O ATOM 492 CB GLU A 323 1.771 8.120 9.515 1.00 0.00 C ATOM 493 CG GLU A 323 0.908 8.183 10.776 1.00 0.00 C ATOM 494 CD GLU A 323 1.406 9.272 11.728 1.00 0.00 C ATOM 495 OE1 GLU A 323 2.592 9.189 12.115 1.00 0.00 O ATOM 496 OE2 GLU A 323 0.590 10.163 12.047 1.00 0.00 O ATOM 0 H GLU A 323 -0.338 8.415 8.209 1.00 0.00 H new ATOM 0 HA GLU A 323 1.639 10.225 9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 323 1.561 7.199 8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 323 2.825 8.093 9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 323 -0.128 8.381 10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 323 0.925 7.217 11.281 1.00 0.00 H new ATOM 503 N LEU A 324 2.265 8.500 6.475 1.00 0.00 N ATOM 504 CA LEU A 324 3.129 8.429 5.309 1.00 0.00 C ATOM 505 C LEU A 324 3.181 9.800 4.634 1.00 0.00 C ATOM 506 O LEU A 324 4.249 10.255 4.226 1.00 0.00 O ATOM 507 CB LEU A 324 2.679 7.301 4.378 1.00 0.00 C ATOM 508 CG LEU A 324 3.747 6.748 3.431 1.00 0.00 C ATOM 509 CD1 LEU A 324 3.273 5.452 2.769 1.00 0.00 C ATOM 510 CD2 LEU A 324 4.164 7.799 2.401 1.00 0.00 C ATOM 0 H LEU A 324 1.487 7.841 6.470 1.00 0.00 H new ATOM 0 HA LEU A 324 4.148 8.180 5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 324 2.303 6.480 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 324 1.843 7.662 3.780 1.00 0.00 H new ATOM 0 HG LEU A 324 4.633 6.505 4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 324 4.050 5.079 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 324 3.066 4.706 3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 324 2.365 5.646 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 324 4.924 7.380 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 324 3.296 8.096 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 324 4.570 8.671 2.914 1.00 0.00 H new ATOM 522 N GLY A 325 2.015 10.422 4.537 1.00 0.00 N ATOM 523 CA GLY A 325 1.915 11.732 3.918 1.00 0.00 C ATOM 524 C GLY A 325 2.548 12.807 4.804 1.00 0.00 C ATOM 525 O GLY A 325 3.102 13.784 4.302 1.00 0.00 O ATOM 0 H GLY A 325 1.131 10.042 4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 325 2.410 11.718 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 325 0.868 11.974 3.738 1.00 0.00 H new ATOM 529 N ALA A 326 2.444 12.591 6.107 1.00 0.00 N ATOM 530 CA ALA A 326 3.000 13.529 7.068 1.00 0.00 C ATOM 531 C ALA A 326 4.528 13.451 7.025 1.00 0.00 C ATOM 532 O ALA A 326 5.212 14.418 7.356 1.00 0.00 O ATOM 533 CB ALA A 326 2.439 13.227 8.459 1.00 0.00 C ATOM 0 H ALA A 326 1.983 11.780 6.520 1.00 0.00 H new ATOM 0 HA ALA A 326 2.715 14.551 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 326 2.856 13.930 9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 326 1.354 13.325 8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 326 2.707 12.211 8.747 1.00 0.00 H new ATOM 539 N LEU A 327 5.018 12.290 6.615 1.00 0.00 N ATOM 540 CA LEU A 327 6.452 12.073 6.525 1.00 0.00 C ATOM 541 C LEU A 327 6.994 12.789 5.286 1.00 0.00 C ATOM 542 O LEU A 327 8.080 13.366 5.324 1.00 0.00 O ATOM 543 CB LEU A 327 6.771 10.577 6.560 1.00 0.00 C ATOM 544 CG LEU A 327 7.905 10.112 5.645 1.00 0.00 C ATOM 545 CD1 LEU A 327 9.263 10.572 6.177 1.00 0.00 C ATOM 546 CD2 LEU A 327 7.854 8.597 5.437 1.00 0.00 C ATOM 0 H LEU A 327 4.447 11.490 6.342 1.00 0.00 H new ATOM 0 HA LEU A 327 6.958 12.503 7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.022 10.303 7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 327 5.868 10.027 6.295 1.00 0.00 H new ATOM 0 HG LEU A 327 7.769 10.577 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 327 10.051 10.228 5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 327 9.283 11.660 6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 327 9.424 10.156 7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 327 8.671 8.292 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 327 7.952 8.094 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 327 6.902 8.324 4.981 1.00 0.00 H new ATOM 558 N LEU A 328 6.214 12.727 4.217 1.00 0.00 N ATOM 559 CA LEU A 328 6.603 13.362 2.969 1.00 0.00 C ATOM 560 C LEU A 328 5.976 14.755 2.894 1.00 0.00 C ATOM 561 O LEU A 328 6.107 15.445 1.883 1.00 0.00 O ATOM 562 CB LEU A 328 6.254 12.464 1.780 1.00 0.00 C ATOM 563 CG LEU A 328 6.236 10.960 2.058 1.00 0.00 C ATOM 564 CD1 LEU A 328 5.090 10.278 1.308 1.00 0.00 C ATOM 565 CD2 LEU A 328 7.590 10.326 1.733 1.00 0.00 C ATOM 0 H LEU A 328 5.315 12.247 4.189 1.00 0.00 H new ATOM 0 HA LEU A 328 7.684 13.497 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 328 5.273 12.756 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 328 6.970 12.657 0.982 1.00 0.00 H new ATOM 0 HG LEU A 328 6.058 10.812 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 328 5.100 9.209 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 328 4.140 10.704 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 328 5.213 10.434 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 328 7.550 9.257 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 328 7.822 10.484 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 328 8.364 10.786 2.348 1.00 0.00 H new ATOM 577 N GLU A 329 5.308 15.128 3.976 1.00 0.00 N ATOM 578 CA GLU A 329 4.660 16.427 4.045 1.00 0.00 C ATOM 579 C GLU A 329 3.521 16.506 3.027 1.00 0.00 C ATOM 580 O GLU A 329 2.951 17.574 2.810 1.00 0.00 O ATOM 581 CB GLU A 329 5.670 17.555 3.826 1.00 0.00 C ATOM 582 CG GLU A 329 6.412 17.886 5.123 1.00 0.00 C ATOM 583 CD GLU A 329 5.622 18.888 5.966 1.00 0.00 C ATOM 584 OE1 GLU A 329 5.172 19.895 5.378 1.00 0.00 O ATOM 585 OE2 GLU A 329 5.485 18.625 7.180 1.00 0.00 O ATOM 0 H GLU A 329 5.202 14.553 4.812 1.00 0.00 H new ATOM 0 HA GLU A 329 4.239 16.549 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 329 6.386 17.263 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 329 5.155 18.443 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 329 6.576 16.973 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 329 7.394 18.296 4.890 1.00 0.00 H new ATOM 592 N ILE A 330 3.222 15.361 2.430 1.00 0.00 N ATOM 593 CA ILE A 330 2.161 15.288 1.441 1.00 0.00 C ATOM 594 C ILE A 330 0.906 14.699 2.089 1.00 0.00 C ATOM 595 O ILE A 330 0.981 14.085 3.152 1.00 0.00 O ATOM 596 CB ILE A 330 2.633 14.519 0.205 1.00 0.00 C ATOM 597 CG1 ILE A 330 2.522 13.009 0.422 1.00 0.00 C ATOM 598 CG2 ILE A 330 4.049 14.939 -0.194 1.00 0.00 C ATOM 599 CD1 ILE A 330 2.837 12.245 -0.865 1.00 0.00 C ATOM 0 H ILE A 330 3.696 14.477 2.613 1.00 0.00 H new ATOM 0 HA ILE A 330 1.900 16.286 1.087 1.00 0.00 H new ATOM 0 HB ILE A 330 1.976 14.773 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 330 3.209 12.700 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.516 12.760 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 330 4.360 14.378 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 330 4.062 16.005 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 330 4.735 14.734 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 330 2.751 11.174 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 330 2.133 12.538 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 330 3.852 12.478 -1.187 1.00 0.00 H new ATOM 611 N PRO A 331 -0.249 14.912 1.403 1.00 0.00 N ATOM 612 CA PRO A 331 -1.519 14.410 1.900 1.00 0.00 C ATOM 613 C PRO A 331 -1.631 12.899 1.687 1.00 0.00 C ATOM 614 O PRO A 331 -0.905 12.327 0.876 1.00 0.00 O ATOM 615 CB PRO A 331 -2.577 15.197 1.143 1.00 0.00 C ATOM 616 CG PRO A 331 -1.875 15.774 -0.075 1.00 0.00 C ATOM 617 CD PRO A 331 -0.376 15.635 0.140 1.00 0.00 C ATOM 0 HA PRO A 331 -1.634 14.547 2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -3.406 14.553 0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -2.994 15.989 1.765 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -2.182 15.246 -0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -2.145 16.821 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 331 0.093 15.088 -0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 331 0.109 16.610 0.191 1.00 0.00 H new ATOM 625 N ALA A 332 -2.547 12.296 2.431 1.00 0.00 N ATOM 626 CA ALA A 332 -2.765 10.862 2.334 1.00 0.00 C ATOM 627 C ALA A 332 -3.140 10.504 0.895 1.00 0.00 C ATOM 628 O ALA A 332 -2.660 9.509 0.354 1.00 0.00 O ATOM 629 CB ALA A 332 -3.838 10.440 3.340 1.00 0.00 C ATOM 0 H ALA A 332 -3.147 12.774 3.103 1.00 0.00 H new ATOM 0 HA ALA A 332 -1.854 10.317 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 332 -4.002 9.365 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 332 -3.509 10.690 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 332 -4.768 10.964 3.121 1.00 0.00 H new ATOM 635 N ALA A 333 -3.995 11.334 0.316 1.00 0.00 N ATOM 636 CA ALA A 333 -4.440 11.116 -1.050 1.00 0.00 C ATOM 637 C ALA A 333 -3.225 11.076 -1.978 1.00 0.00 C ATOM 638 O ALA A 333 -3.213 10.335 -2.960 1.00 0.00 O ATOM 639 CB ALA A 333 -5.437 12.209 -1.442 1.00 0.00 C ATOM 0 H ALA A 333 -4.391 12.158 0.768 1.00 0.00 H new ATOM 0 HA ALA A 333 -4.953 10.158 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 333 -5.771 12.046 -2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 333 -6.295 12.176 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 333 -4.956 13.184 -1.368 1.00 0.00 H new ATOM 645 N LYS A 334 -2.231 11.882 -1.634 1.00 0.00 N ATOM 646 CA LYS A 334 -1.013 11.948 -2.424 1.00 0.00 C ATOM 647 C LYS A 334 -0.168 10.701 -2.155 1.00 0.00 C ATOM 648 O LYS A 334 0.294 10.047 -3.088 1.00 0.00 O ATOM 649 CB LYS A 334 -0.273 13.261 -2.160 1.00 0.00 C ATOM 650 CG LYS A 334 0.689 13.587 -3.304 1.00 0.00 C ATOM 651 CD LYS A 334 -0.073 14.064 -4.542 1.00 0.00 C ATOM 652 CE LYS A 334 0.704 15.159 -5.276 1.00 0.00 C ATOM 653 NZ LYS A 334 0.741 16.398 -4.468 1.00 0.00 N ATOM 0 H LYS A 334 -2.244 12.495 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 334 -1.249 11.951 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -0.993 14.071 -2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 334 0.281 13.189 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 334 1.391 14.358 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 334 1.277 12.703 -3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -0.246 13.223 -5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -1.052 14.443 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 334 1.720 14.819 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 334 0.237 15.360 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 0.872 17.217 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -0.154 16.500 -3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 1.530 16.349 -3.793 1.00 0.00 H new ATOM 667 N ALA A 335 0.009 10.409 -0.874 1.00 0.00 N ATOM 668 CA ALA A 335 0.790 9.253 -0.471 1.00 0.00 C ATOM 669 C ALA A 335 0.103 7.980 -0.968 1.00 0.00 C ATOM 670 O ALA A 335 0.769 7.012 -1.334 1.00 0.00 O ATOM 671 CB ALA A 335 0.970 9.263 1.048 1.00 0.00 C ATOM 0 H ALA A 335 -0.376 10.954 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 335 1.784 9.287 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 335 1.556 8.395 1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 335 1.489 10.174 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 335 -0.007 9.227 1.530 1.00 0.00 H new ATOM 677 N GLU A 336 -1.222 8.021 -0.966 1.00 0.00 N ATOM 678 CA GLU A 336 -2.007 6.883 -1.412 1.00 0.00 C ATOM 679 C GLU A 336 -1.903 6.729 -2.931 1.00 0.00 C ATOM 680 O GLU A 336 -1.672 5.631 -3.434 1.00 0.00 O ATOM 681 CB GLU A 336 -3.466 7.017 -0.973 1.00 0.00 C ATOM 682 CG GLU A 336 -4.310 5.861 -1.513 1.00 0.00 C ATOM 683 CD GLU A 336 -5.678 6.355 -1.987 1.00 0.00 C ATOM 684 OE1 GLU A 336 -6.479 6.739 -1.106 1.00 0.00 O ATOM 685 OE2 GLU A 336 -5.893 6.338 -3.218 1.00 0.00 O ATOM 0 H GLU A 336 -1.771 8.825 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 336 -1.604 5.984 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 336 -3.522 7.035 0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 336 -3.871 7.965 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 336 -3.787 5.379 -2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 336 -4.441 5.108 -0.736 1.00 0.00 H new ATOM 692 N LYS A 337 -2.079 7.847 -3.620 1.00 0.00 N ATOM 693 CA LYS A 337 -2.009 7.851 -5.071 1.00 0.00 C ATOM 694 C LYS A 337 -0.578 7.530 -5.509 1.00 0.00 C ATOM 695 O LYS A 337 -0.367 6.707 -6.398 1.00 0.00 O ATOM 696 CB LYS A 337 -2.541 9.172 -5.630 1.00 0.00 C ATOM 697 CG LYS A 337 -3.042 8.998 -7.066 1.00 0.00 C ATOM 698 CD LYS A 337 -3.808 10.237 -7.533 1.00 0.00 C ATOM 699 CE LYS A 337 -3.942 10.256 -9.057 1.00 0.00 C ATOM 700 NZ LYS A 337 -5.117 9.464 -9.484 1.00 0.00 N ATOM 0 H LYS A 337 -2.270 8.757 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 337 -2.652 7.074 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 337 -3.352 9.537 -5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 337 -1.754 9.925 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 337 -2.197 8.817 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 337 -3.688 8.122 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 337 -4.798 10.250 -7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 337 -3.291 11.136 -7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 337 -4.042 11.284 -9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 337 -3.038 9.851 -9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 -5.193 9.487 -10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 -5.006 8.480 -9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 -5.979 9.868 -9.064 1.00 0.00 H new ATOM 714 N ILE A 338 0.368 8.197 -4.863 1.00 0.00 N ATOM 715 CA ILE A 338 1.772 7.993 -5.175 1.00 0.00 C ATOM 716 C ILE A 338 2.165 6.557 -4.823 1.00 0.00 C ATOM 717 O ILE A 338 2.812 5.874 -5.616 1.00 0.00 O ATOM 718 CB ILE A 338 2.633 9.053 -4.484 1.00 0.00 C ATOM 719 CG1 ILE A 338 2.328 10.449 -5.030 1.00 0.00 C ATOM 720 CG2 ILE A 338 4.120 8.707 -4.593 1.00 0.00 C ATOM 721 CD1 ILE A 338 3.197 11.507 -4.348 1.00 0.00 C ATOM 0 H ILE A 338 0.189 8.879 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 338 1.947 8.119 -6.243 1.00 0.00 H new ATOM 0 HB ILE A 338 2.380 9.060 -3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 338 2.502 10.469 -6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 338 1.275 10.682 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 338 4.710 9.476 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 338 4.305 7.743 -4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 338 4.405 8.655 -5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 338 2.960 12.490 -4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 338 3.002 11.502 -3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 338 4.249 11.284 -4.527 1.00 0.00 H new ATOM 733 N ALA A 339 1.757 6.140 -3.633 1.00 0.00 N ATOM 734 CA ALA A 339 2.058 4.797 -3.167 1.00 0.00 C ATOM 735 C ALA A 339 1.541 3.780 -4.186 1.00 0.00 C ATOM 736 O ALA A 339 2.223 2.805 -4.496 1.00 0.00 O ATOM 737 CB ALA A 339 1.451 4.591 -1.778 1.00 0.00 C ATOM 0 H ALA A 339 1.221 6.709 -2.978 1.00 0.00 H new ATOM 0 HA ALA A 339 3.135 4.654 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 339 1.677 3.584 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 339 1.873 5.319 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 339 0.370 4.724 -1.830 1.00 0.00 H new ATOM 743 N SER A 340 0.339 4.043 -4.679 1.00 0.00 N ATOM 744 CA SER A 340 -0.278 3.162 -5.656 1.00 0.00 C ATOM 745 C SER A 340 0.438 3.292 -7.002 1.00 0.00 C ATOM 746 O SER A 340 0.666 2.296 -7.687 1.00 0.00 O ATOM 747 CB SER A 340 -1.767 3.473 -5.815 1.00 0.00 C ATOM 748 OG SER A 340 -2.056 4.074 -7.074 1.00 0.00 O ATOM 0 H SER A 340 -0.224 4.853 -4.420 1.00 0.00 H new ATOM 0 HA SER A 340 -0.185 2.136 -5.299 1.00 0.00 H new ATOM 0 HB2 SER A 340 -2.342 2.553 -5.712 1.00 0.00 H new ATOM 0 HB3 SER A 340 -2.086 4.140 -5.014 1.00 0.00 H new ATOM 0 HG SER A 340 -3.017 4.256 -7.137 1.00 0.00 H new ATOM 754 N GLN A 341 0.772 4.528 -7.342 1.00 0.00 N ATOM 755 CA GLN A 341 1.457 4.801 -8.594 1.00 0.00 C ATOM 756 C GLN A 341 2.822 4.110 -8.614 1.00 0.00 C ATOM 757 O GLN A 341 3.238 3.580 -9.643 1.00 0.00 O ATOM 758 CB GLN A 341 1.602 6.307 -8.823 1.00 0.00 C ATOM 759 CG GLN A 341 1.105 6.700 -10.216 1.00 0.00 C ATOM 760 CD GLN A 341 2.277 7.024 -11.145 1.00 0.00 C ATOM 761 OE1 GLN A 341 2.994 6.153 -11.608 1.00 0.00 O ATOM 762 NE2 GLN A 341 2.430 8.322 -11.390 1.00 0.00 N ATOM 0 H GLN A 341 0.581 5.352 -6.772 1.00 0.00 H new ATOM 0 HA GLN A 341 0.856 4.399 -9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 341 1.037 6.850 -8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 341 2.647 6.597 -8.711 1.00 0.00 H new ATOM 0 HG2 GLN A 341 0.515 5.886 -10.639 1.00 0.00 H new ATOM 0 HG3 GLN A 341 0.446 7.565 -10.140 1.00 0.00 H new ATOM 0 HE21 GLN A 341 1.793 8.999 -10.969 1.00 0.00 H new ATOM 0 HE22 GLN A 341 3.184 8.641 -11.999 1.00 0.00 H new ATOM 771 N MET A 342 3.481 4.138 -7.465 1.00 0.00 N ATOM 772 CA MET A 342 4.790 3.521 -7.337 1.00 0.00 C ATOM 773 C MET A 342 4.710 2.012 -7.576 1.00 0.00 C ATOM 774 O MET A 342 5.529 1.451 -8.303 1.00 0.00 O ATOM 775 CB MET A 342 5.346 3.788 -5.937 1.00 0.00 C ATOM 776 CG MET A 342 5.789 5.245 -5.791 1.00 0.00 C ATOM 777 SD MET A 342 7.249 5.340 -4.769 1.00 0.00 S ATOM 778 CE MET A 342 8.508 5.036 -5.996 1.00 0.00 C ATOM 0 H MET A 342 3.132 4.579 -6.614 1.00 0.00 H new ATOM 0 HA MET A 342 5.450 3.954 -8.088 1.00 0.00 H new ATOM 0 HB2 MET A 342 4.586 3.559 -5.190 1.00 0.00 H new ATOM 0 HB3 MET A 342 6.191 3.126 -5.745 1.00 0.00 H new ATOM 0 HG2 MET A 342 5.994 5.671 -6.773 1.00 0.00 H new ATOM 0 HG3 MET A 342 4.986 5.835 -5.349 1.00 0.00 H new ATOM 0 HE1 MET A 342 9.457 5.448 -5.653 1.00 0.00 H new ATOM 0 HE2 MET A 342 8.613 3.962 -6.151 1.00 0.00 H new ATOM 0 HE3 MET A 342 8.224 5.512 -6.935 1.00 0.00 H new ATOM 788 N ILE A 343 3.717 1.398 -6.950 1.00 0.00 N ATOM 789 CA ILE A 343 3.519 -0.036 -7.086 1.00 0.00 C ATOM 790 C ILE A 343 3.109 -0.356 -8.524 1.00 0.00 C ATOM 791 O ILE A 343 3.515 -1.376 -9.077 1.00 0.00 O ATOM 792 CB ILE A 343 2.528 -0.541 -6.036 1.00 0.00 C ATOM 793 CG1 ILE A 343 3.191 -0.645 -4.661 1.00 0.00 C ATOM 794 CG2 ILE A 343 1.898 -1.866 -6.470 1.00 0.00 C ATOM 795 CD1 ILE A 343 2.157 -0.949 -3.575 1.00 0.00 C ATOM 0 H ILE A 343 3.041 1.867 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 343 4.450 -0.569 -6.895 1.00 0.00 H new ATOM 0 HB ILE A 343 1.721 0.187 -5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 343 3.948 -1.429 -4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 343 3.704 0.289 -4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 343 1.197 -2.203 -5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 343 1.368 -1.726 -7.412 1.00 0.00 H new ATOM 0 HG23 ILE A 343 2.679 -2.615 -6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 343 2.655 -1.018 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 343 1.415 -0.151 -3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 343 1.664 -1.895 -3.797 1.00 0.00 H new ATOM 807 N THR A 344 2.307 0.536 -9.089 1.00 0.00 N ATOM 808 CA THR A 344 1.837 0.361 -10.453 1.00 0.00 C ATOM 809 C THR A 344 2.999 0.492 -11.439 1.00 0.00 C ATOM 810 O THR A 344 2.962 -0.078 -12.528 1.00 0.00 O ATOM 811 CB THR A 344 0.714 1.370 -10.699 1.00 0.00 C ATOM 812 OG1 THR A 344 -0.396 0.836 -9.983 1.00 0.00 O ATOM 813 CG2 THR A 344 0.246 1.383 -12.156 1.00 0.00 C ATOM 0 H THR A 344 1.971 1.381 -8.627 1.00 0.00 H new ATOM 0 HA THR A 344 1.434 -0.640 -10.607 1.00 0.00 H new ATOM 0 HB THR A 344 1.055 2.367 -10.419 1.00 0.00 H new ATOM 0 HG1 THR A 344 -0.376 1.162 -9.059 1.00 0.00 H new ATOM 0 HG21 THR A 344 -0.552 2.116 -12.275 1.00 0.00 H new ATOM 0 HG22 THR A 344 1.082 1.647 -12.804 1.00 0.00 H new ATOM 0 HG23 THR A 344 -0.126 0.395 -12.428 1.00 0.00 H new ATOM 821 N GLU A 345 4.005 1.248 -11.022 1.00 0.00 N ATOM 822 CA GLU A 345 5.176 1.461 -11.855 1.00 0.00 C ATOM 823 C GLU A 345 6.216 0.369 -11.598 1.00 0.00 C ATOM 824 O GLU A 345 7.205 0.267 -12.322 1.00 0.00 O ATOM 825 CB GLU A 345 5.770 2.851 -11.618 1.00 0.00 C ATOM 826 CG GLU A 345 5.094 3.896 -12.508 1.00 0.00 C ATOM 827 CD GLU A 345 6.129 4.819 -13.154 1.00 0.00 C ATOM 828 OE1 GLU A 345 7.200 4.296 -13.530 1.00 0.00 O ATOM 829 OE2 GLU A 345 5.825 6.027 -13.258 1.00 0.00 O ATOM 0 H GLU A 345 4.033 1.720 -10.118 1.00 0.00 H new ATOM 0 HA GLU A 345 4.871 1.405 -12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 345 5.650 3.128 -10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 345 6.841 2.832 -11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 345 4.512 3.397 -13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 345 4.395 4.486 -11.915 1.00 0.00 H new ATOM 836 N GLY A 346 5.958 -0.419 -10.565 1.00 0.00 N ATOM 837 CA GLY A 346 6.859 -1.500 -10.205 1.00 0.00 C ATOM 838 C GLY A 346 7.936 -1.014 -9.232 1.00 0.00 C ATOM 839 O GLY A 346 8.456 -1.794 -8.436 1.00 0.00 O ATOM 0 H GLY A 346 5.137 -0.330 -9.966 1.00 0.00 H new ATOM 0 HA2 GLY A 346 6.294 -2.314 -9.751 1.00 0.00 H new ATOM 0 HA3 GLY A 346 7.329 -1.901 -11.103 1.00 0.00 H new ATOM 843 N ARG A 347 8.238 0.272 -9.328 1.00 0.00 N ATOM 844 CA ARG A 347 9.243 0.871 -8.466 1.00 0.00 C ATOM 845 C ARG A 347 9.143 0.294 -7.053 1.00 0.00 C ATOM 846 O ARG A 347 10.159 0.078 -6.393 1.00 0.00 O ATOM 847 CB ARG A 347 9.078 2.391 -8.402 1.00 0.00 C ATOM 848 CG ARG A 347 9.402 3.036 -9.751 1.00 0.00 C ATOM 849 CD ARG A 347 9.085 4.532 -9.734 1.00 0.00 C ATOM 850 NE ARG A 347 8.887 5.024 -11.116 1.00 0.00 N ATOM 851 CZ ARG A 347 9.886 5.330 -11.954 1.00 0.00 C ATOM 852 NH1 ARG A 347 11.159 5.197 -11.557 1.00 0.00 N ATOM 853 NH2 ARG A 347 9.613 5.768 -13.191 1.00 0.00 N ATOM 0 H ARG A 347 7.805 0.916 -9.989 1.00 0.00 H new ATOM 0 HA ARG A 347 10.221 0.640 -8.887 1.00 0.00 H new ATOM 0 HB2 ARG A 347 8.056 2.637 -8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 347 9.734 2.799 -7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 347 10.456 2.887 -9.986 1.00 0.00 H new ATOM 0 HG3 ARG A 347 8.828 2.548 -10.539 1.00 0.00 H new ATOM 0 HD2 ARG A 347 8.188 4.715 -9.142 1.00 0.00 H new ATOM 0 HD3 ARG A 347 9.899 5.079 -9.258 1.00 0.00 H new ATOM 0 HE ARG A 347 7.930 5.137 -11.451 1.00 0.00 H new ATOM 0 HH11 ARG A 347 11.368 4.863 -10.616 1.00 0.00 H new ATOM 0 HH12 ARG A 347 11.919 5.430 -12.196 1.00 0.00 H new ATOM 0 HH21 ARG A 347 8.644 5.868 -13.494 1.00 0.00 H new ATOM 0 HH22 ARG A 347 10.374 6.001 -13.829 1.00 0.00 H new ATOM 867 N MET A 348 7.909 0.059 -6.630 1.00 0.00 N ATOM 868 CA MET A 348 7.664 -0.489 -5.307 1.00 0.00 C ATOM 869 C MET A 348 7.145 -1.926 -5.397 1.00 0.00 C ATOM 870 O MET A 348 6.923 -2.442 -6.491 1.00 0.00 O ATOM 871 CB MET A 348 6.638 0.380 -4.576 1.00 0.00 C ATOM 872 CG MET A 348 6.813 0.277 -3.060 1.00 0.00 C ATOM 873 SD MET A 348 6.342 1.815 -2.286 1.00 0.00 S ATOM 874 CE MET A 348 4.569 1.727 -2.475 1.00 0.00 C ATOM 0 H MET A 348 7.069 0.238 -7.180 1.00 0.00 H new ATOM 0 HA MET A 348 8.605 -0.496 -4.757 1.00 0.00 H new ATOM 0 HB2 MET A 348 6.747 1.419 -4.889 1.00 0.00 H new ATOM 0 HB3 MET A 348 5.630 0.069 -4.851 1.00 0.00 H new ATOM 0 HG2 MET A 348 6.203 -0.538 -2.670 1.00 0.00 H new ATOM 0 HG3 MET A 348 7.850 0.042 -2.820 1.00 0.00 H new ATOM 0 HE1 MET A 348 4.092 2.372 -1.737 1.00 0.00 H new ATOM 0 HE2 MET A 348 4.293 2.056 -3.477 1.00 0.00 H new ATOM 0 HE3 MET A 348 4.238 0.699 -2.327 1.00 0.00 H new ATOM 884 N ASN A 349 6.966 -2.530 -4.231 1.00 0.00 N ATOM 885 CA ASN A 349 6.477 -3.897 -4.164 1.00 0.00 C ATOM 886 C ASN A 349 5.551 -4.044 -2.955 1.00 0.00 C ATOM 887 O ASN A 349 5.905 -3.647 -1.846 1.00 0.00 O ATOM 888 CB ASN A 349 7.632 -4.887 -3.999 1.00 0.00 C ATOM 889 CG ASN A 349 7.537 -6.016 -5.028 1.00 0.00 C ATOM 890 OD1 ASN A 349 6.724 -5.996 -5.937 1.00 0.00 O ATOM 891 ND2 ASN A 349 8.411 -6.999 -4.833 1.00 0.00 N ATOM 0 H ASN A 349 7.151 -2.098 -3.326 1.00 0.00 H new ATOM 0 HA ASN A 349 5.947 -4.112 -5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 349 8.582 -4.365 -4.113 1.00 0.00 H new ATOM 0 HB3 ASN A 349 7.617 -5.305 -2.992 1.00 0.00 H new ATOM 0 HD21 ASN A 349 8.428 -7.799 -5.465 1.00 0.00 H new ATOM 0 HD22 ASN A 349 9.065 -6.953 -4.051 1.00 0.00 H new ATOM 898 N GLY A 350 4.384 -4.616 -3.210 1.00 0.00 N ATOM 899 CA GLY A 350 3.405 -4.821 -2.156 1.00 0.00 C ATOM 900 C GLY A 350 2.012 -4.379 -2.609 1.00 0.00 C ATOM 901 O GLY A 350 1.738 -4.306 -3.806 1.00 0.00 O ATOM 0 H GLY A 350 4.094 -4.944 -4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 350 3.383 -5.874 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 350 3.698 -4.260 -1.268 1.00 0.00 H new ATOM 905 N PHE A 351 1.167 -4.097 -1.628 1.00 0.00 N ATOM 906 CA PHE A 351 -0.191 -3.664 -1.910 1.00 0.00 C ATOM 907 C PHE A 351 -0.676 -2.661 -0.862 1.00 0.00 C ATOM 908 O PHE A 351 -0.069 -2.525 0.200 1.00 0.00 O ATOM 909 CB PHE A 351 -1.077 -4.910 -1.855 1.00 0.00 C ATOM 910 CG PHE A 351 -1.424 -5.365 -0.436 1.00 0.00 C ATOM 911 CD1 PHE A 351 -0.567 -6.167 0.249 1.00 0.00 C ATOM 912 CD2 PHE A 351 -2.590 -4.966 0.140 1.00 0.00 C ATOM 913 CE1 PHE A 351 -0.889 -6.589 1.566 1.00 0.00 C ATOM 914 CE2 PHE A 351 -2.912 -5.388 1.457 1.00 0.00 C ATOM 915 CZ PHE A 351 -2.055 -6.191 2.142 1.00 0.00 C ATOM 0 H PHE A 351 1.397 -4.160 -0.636 1.00 0.00 H new ATOM 0 HA PHE A 351 -0.232 -3.178 -2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 351 -2.001 -4.710 -2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 351 -0.572 -5.725 -2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 351 0.359 -6.483 -0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 351 -3.271 -4.328 -0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 351 -0.208 -7.226 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 351 -3.838 -5.071 1.915 1.00 0.00 H new ATOM 0 HZ PHE A 351 -2.300 -6.513 3.143 1.00 0.00 H new ATOM 925 N ILE A 352 -1.764 -1.984 -1.197 1.00 0.00 N ATOM 926 CA ILE A 352 -2.338 -0.997 -0.297 1.00 0.00 C ATOM 927 C ILE A 352 -3.627 -1.555 0.310 1.00 0.00 C ATOM 928 O ILE A 352 -4.599 -1.796 -0.403 1.00 0.00 O ATOM 929 CB ILE A 352 -2.526 0.339 -1.018 1.00 0.00 C ATOM 930 CG1 ILE A 352 -1.176 0.993 -1.321 1.00 0.00 C ATOM 931 CG2 ILE A 352 -3.446 1.267 -0.222 1.00 0.00 C ATOM 932 CD1 ILE A 352 -1.356 2.454 -1.741 1.00 0.00 C ATOM 0 H ILE A 352 -2.264 -2.099 -2.079 1.00 0.00 H new ATOM 0 HA ILE A 352 -1.658 -0.794 0.530 1.00 0.00 H new ATOM 0 HB ILE A 352 -3.012 0.146 -1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 352 -0.537 0.940 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 352 -0.671 0.442 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 352 -3.563 2.210 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 352 -4.421 0.796 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 352 -3.010 1.458 0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 352 -0.381 2.895 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 352 -1.976 2.501 -2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 352 -1.839 3.007 -0.936 1.00 0.00 H new ATOM 944 N ASP A 353 -3.592 -1.743 1.621 1.00 0.00 N ATOM 945 CA ASP A 353 -4.745 -2.268 2.332 1.00 0.00 C ATOM 946 C ASP A 353 -5.789 -1.160 2.490 1.00 0.00 C ATOM 947 O ASP A 353 -5.581 -0.209 3.243 1.00 0.00 O ATOM 948 CB ASP A 353 -4.356 -2.754 3.730 1.00 0.00 C ATOM 949 CG ASP A 353 -5.511 -3.311 4.565 1.00 0.00 C ATOM 950 OD1 ASP A 353 -6.646 -3.302 4.042 1.00 0.00 O ATOM 951 OD2 ASP A 353 -5.232 -3.733 5.708 1.00 0.00 O ATOM 0 H ASP A 353 -2.783 -1.541 2.209 1.00 0.00 H new ATOM 0 HA ASP A 353 -5.143 -3.104 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 353 -3.594 -3.527 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 353 -3.901 -1.925 4.273 1.00 0.00 H new ATOM 956 N GLN A 354 -6.889 -1.320 1.769 1.00 0.00 N ATOM 957 CA GLN A 354 -7.965 -0.345 1.821 1.00 0.00 C ATOM 958 C GLN A 354 -8.957 -0.708 2.928 1.00 0.00 C ATOM 959 O GLN A 354 -9.813 0.099 3.288 1.00 0.00 O ATOM 960 CB GLN A 354 -8.670 -0.236 0.467 1.00 0.00 C ATOM 961 CG GLN A 354 -7.771 0.446 -0.566 1.00 0.00 C ATOM 962 CD GLN A 354 -8.569 1.432 -1.422 1.00 0.00 C ATOM 963 OE1 GLN A 354 -9.253 1.065 -2.363 1.00 0.00 O ATOM 964 NE2 GLN A 354 -8.443 2.701 -1.044 1.00 0.00 N ATOM 0 H GLN A 354 -7.058 -2.110 1.146 1.00 0.00 H new ATOM 0 HA GLN A 354 -7.536 0.630 2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -8.945 -1.230 0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -9.595 0.330 0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 354 -6.962 0.971 -0.059 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -7.310 -0.307 -1.206 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -7.854 2.939 -0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -8.936 3.436 -1.552 1.00 0.00 H new ATOM 973 N ILE A 355 -8.809 -1.922 3.437 1.00 0.00 N ATOM 974 CA ILE A 355 -9.681 -2.401 4.496 1.00 0.00 C ATOM 975 C ILE A 355 -9.317 -1.701 5.807 1.00 0.00 C ATOM 976 O ILE A 355 -10.196 -1.340 6.587 1.00 0.00 O ATOM 977 CB ILE A 355 -9.634 -3.927 4.580 1.00 0.00 C ATOM 978 CG1 ILE A 355 -10.052 -4.563 3.252 1.00 0.00 C ATOM 979 CG2 ILE A 355 -10.476 -4.439 5.750 1.00 0.00 C ATOM 980 CD1 ILE A 355 -9.601 -6.023 3.177 1.00 0.00 C ATOM 0 H ILE A 355 -8.098 -2.589 3.136 1.00 0.00 H new ATOM 0 HA ILE A 355 -10.719 -2.149 4.277 1.00 0.00 H new ATOM 0 HB ILE A 355 -8.603 -4.226 4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 355 -11.135 -4.507 3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 355 -9.619 -4.002 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 355 -10.425 -5.527 5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 355 -10.092 -4.026 6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 355 -11.512 -4.129 5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 355 -9.911 -6.451 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 355 -8.515 -6.073 3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 355 -10.055 -6.586 3.992 1.00 0.00 H new ATOM 992 N ASP A 356 -8.018 -1.530 6.008 1.00 0.00 N ATOM 993 CA ASP A 356 -7.526 -0.880 7.211 1.00 0.00 C ATOM 994 C ASP A 356 -6.946 0.488 6.845 1.00 0.00 C ATOM 995 O ASP A 356 -6.721 1.324 7.719 1.00 0.00 O ATOM 996 CB ASP A 356 -6.417 -1.704 7.868 1.00 0.00 C ATOM 997 CG ASP A 356 -6.900 -2.906 8.681 1.00 0.00 C ATOM 998 OD1 ASP A 356 -7.991 -2.785 9.280 1.00 0.00 O ATOM 999 OD2 ASP A 356 -6.168 -3.919 8.686 1.00 0.00 O ATOM 0 H ASP A 356 -7.292 -1.830 5.358 1.00 0.00 H new ATOM 0 HA ASP A 356 -8.360 -0.780 7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 356 -5.740 -2.058 7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 356 -5.839 -1.051 8.522 1.00 0.00 H new ATOM 1004 N GLY A 357 -6.721 0.673 5.553 1.00 0.00 N ATOM 1005 CA GLY A 357 -6.172 1.925 5.061 1.00 0.00 C ATOM 1006 C GLY A 357 -4.687 2.046 5.410 1.00 0.00 C ATOM 1007 O GLY A 357 -4.176 3.151 5.589 1.00 0.00 O ATOM 0 H GLY A 357 -6.909 -0.023 4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -6.301 1.983 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -6.720 2.762 5.493 1.00 0.00 H new ATOM 1011 N ILE A 358 -4.036 0.896 5.495 1.00 0.00 N ATOM 1012 CA ILE A 358 -2.620 0.859 5.819 1.00 0.00 C ATOM 1013 C ILE A 358 -1.831 0.406 4.589 1.00 0.00 C ATOM 1014 O ILE A 358 -2.284 -0.459 3.841 1.00 0.00 O ATOM 1015 CB ILE A 358 -2.376 -0.005 7.058 1.00 0.00 C ATOM 1016 CG1 ILE A 358 -3.282 0.425 8.213 1.00 0.00 C ATOM 1017 CG2 ILE A 358 -0.898 0.009 7.454 1.00 0.00 C ATOM 1018 CD1 ILE A 358 -3.175 -0.551 9.387 1.00 0.00 C ATOM 0 H ILE A 358 -4.463 -0.018 5.345 1.00 0.00 H new ATOM 0 HA ILE A 358 -2.263 1.856 6.078 1.00 0.00 H new ATOM 0 HB ILE A 358 -2.634 -1.035 6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 358 -3.007 1.427 8.542 1.00 0.00 H new ATOM 0 HG13 ILE A 358 -4.315 0.475 7.870 1.00 0.00 H new ATOM 0 HG21 ILE A 358 -0.752 -0.613 8.337 1.00 0.00 H new ATOM 0 HG22 ILE A 358 -0.297 -0.381 6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 358 -0.590 1.031 7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 358 -3.829 -0.222 10.194 1.00 0.00 H new ATOM 0 HD12 ILE A 358 -3.474 -1.547 9.061 1.00 0.00 H new ATOM 0 HD13 ILE A 358 -2.145 -0.580 9.743 1.00 0.00 H new ATOM 1030 N VAL A 359 -0.665 1.011 4.418 1.00 0.00 N ATOM 1031 CA VAL A 359 0.191 0.681 3.291 1.00 0.00 C ATOM 1032 C VAL A 359 1.061 -0.525 3.653 1.00 0.00 C ATOM 1033 O VAL A 359 1.787 -0.495 4.645 1.00 0.00 O ATOM 1034 CB VAL A 359 1.010 1.906 2.879 1.00 0.00 C ATOM 1035 CG1 VAL A 359 2.014 1.551 1.780 1.00 0.00 C ATOM 1036 CG2 VAL A 359 0.097 3.052 2.438 1.00 0.00 C ATOM 0 H VAL A 359 -0.293 1.728 5.041 1.00 0.00 H new ATOM 0 HA VAL A 359 -0.409 0.402 2.425 1.00 0.00 H new ATOM 0 HB VAL A 359 1.573 2.241 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 359 2.583 2.440 1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 359 2.695 0.782 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 359 1.480 1.178 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 359 0.704 3.911 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 359 -0.504 2.731 1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 359 -0.560 3.332 3.262 1.00 0.00 H new ATOM 1046 N HIS A 360 0.958 -1.557 2.828 1.00 0.00 N ATOM 1047 CA HIS A 360 1.726 -2.770 3.049 1.00 0.00 C ATOM 1048 C HIS A 360 3.061 -2.675 2.306 1.00 0.00 C ATOM 1049 O HIS A 360 3.095 -2.704 1.077 1.00 0.00 O ATOM 1050 CB HIS A 360 0.915 -4.006 2.654 1.00 0.00 C ATOM 1051 CG HIS A 360 0.416 -4.813 3.828 1.00 0.00 C ATOM 1052 ND1 HIS A 360 1.035 -5.974 4.257 1.00 0.00 N ATOM 1053 CD2 HIS A 360 -0.648 -4.615 4.658 1.00 0.00 C ATOM 1054 CE1 HIS A 360 0.366 -6.446 5.298 1.00 0.00 C ATOM 1055 NE2 HIS A 360 -0.677 -5.602 5.545 1.00 0.00 N ATOM 0 H HIS A 360 0.355 -1.578 2.006 1.00 0.00 H new ATOM 0 HA HIS A 360 1.947 -2.876 4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 360 0.062 -3.691 2.053 1.00 0.00 H new ATOM 0 HB3 HIS A 360 1.531 -4.646 2.022 1.00 0.00 H new ATOM 0 HD2 HIS A 360 -1.348 -3.794 4.603 1.00 0.00 H new ATOM 0 HE1 HIS A 360 0.604 -7.341 5.853 1.00 0.00 H new ATOM 0 HE2 HIS A 360 -1.366 -5.711 6.289 1.00 0.00 H new ATOM 1063 N PHE A 361 4.128 -2.563 3.084 1.00 0.00 N ATOM 1064 CA PHE A 361 5.461 -2.464 2.516 1.00 0.00 C ATOM 1065 C PHE A 361 6.176 -3.816 2.554 1.00 0.00 C ATOM 1066 O PHE A 361 5.914 -4.636 3.433 1.00 0.00 O ATOM 1067 CB PHE A 361 6.239 -1.464 3.374 1.00 0.00 C ATOM 1068 CG PHE A 361 6.031 -0.003 2.972 1.00 0.00 C ATOM 1069 CD1 PHE A 361 6.285 0.394 1.696 1.00 0.00 C ATOM 1070 CD2 PHE A 361 5.591 0.899 3.889 1.00 0.00 C ATOM 1071 CE1 PHE A 361 6.092 1.750 1.322 1.00 0.00 C ATOM 1072 CE2 PHE A 361 5.397 2.255 3.516 1.00 0.00 C ATOM 1073 CZ PHE A 361 5.652 2.652 2.240 1.00 0.00 C ATOM 0 H PHE A 361 4.096 -2.539 4.103 1.00 0.00 H new ATOM 0 HA PHE A 361 5.399 -2.146 1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 361 5.944 -1.589 4.416 1.00 0.00 H new ATOM 0 HB3 PHE A 361 7.302 -1.699 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 361 6.634 -0.323 0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 361 5.389 0.584 4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 361 6.294 2.065 0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 361 5.047 2.971 4.245 1.00 0.00 H new ATOM 0 HZ PHE A 361 5.505 3.684 1.956 1.00 0.00 H new ATOM 1083 N GLU A 362 7.064 -4.007 1.590 1.00 0.00 N ATOM 1084 CA GLU A 362 7.818 -5.246 1.502 1.00 0.00 C ATOM 1085 C GLU A 362 9.248 -5.034 2.005 1.00 0.00 C ATOM 1086 O GLU A 362 9.822 -3.962 1.820 1.00 0.00 O ATOM 1087 CB GLU A 362 7.815 -5.790 0.072 1.00 0.00 C ATOM 1088 CG GLU A 362 9.000 -6.729 -0.160 1.00 0.00 C ATOM 1089 CD GLU A 362 8.891 -7.977 0.719 1.00 0.00 C ATOM 1090 OE1 GLU A 362 7.839 -8.116 1.378 1.00 0.00 O ATOM 1091 OE2 GLU A 362 9.863 -8.763 0.711 1.00 0.00 O ATOM 0 H GLU A 362 7.278 -3.325 0.863 1.00 0.00 H new ATOM 0 HA GLU A 362 7.336 -5.988 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 362 6.883 -6.322 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 362 7.858 -4.962 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 362 9.037 -7.021 -1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 362 9.931 -6.206 0.058 1.00 0.00 H new