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 Set 1.1: A 340 SER OG : rot 180:sc= -0.0363 USER MOD Set 1.2: A 341 GLN : amide:sc= -2.61 K(o=-2.6,f=-3.2!) USER MOD Single : A 307 HIS : no HD1:sc=-0.000129 X(o=-0.00013,f=-0.13) USER MOD Single : A 308 ASN : amide:sc= -5.11! C(o=-5.1!,f=-5!) USER MOD Single : A 311 SER OG : rot 180:sc= 0 USER MOD Single : A 313 SER OG : rot -88:sc= 1.13 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 X(o=0,f=0) USER MOD Single : A 318 ASN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD Single : A 320 THR OG1 : rot 180:sc= 0.0182 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 342 MET CE :methyl -144:sc= -6.18! (180deg=-8.68!) USER MOD Single : A 344 THR OG1 : rot 88:sc= 0.244 USER MOD Single : A 348 MET CE :methyl 150:sc= -6.93! (180deg=-8.83!) USER MOD Single : A 349 ASN : amide:sc= -0.105 K(o=-0.1,f=-0.97) USER MOD Single : A 354 GLN : amide:sc= -0.872 K(o=-0.87,f=-0.28!) USER MOD Single : A 360 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD ----------------------------------------------------------------- ATOM 145 N ARG A 302 7.563 15.602 -6.463 1.00 0.00 N ATOM 146 CA ARG A 302 6.921 14.299 -6.436 1.00 0.00 C ATOM 147 C ARG A 302 7.973 13.189 -6.424 1.00 0.00 C ATOM 148 O ARG A 302 7.764 12.137 -5.822 1.00 0.00 O ATOM 149 CB ARG A 302 6.005 14.111 -7.648 1.00 0.00 C ATOM 150 CG ARG A 302 5.202 12.814 -7.532 1.00 0.00 C ATOM 151 CD ARG A 302 4.047 12.972 -6.541 1.00 0.00 C ATOM 152 NE ARG A 302 3.016 13.872 -7.104 1.00 0.00 N ATOM 153 CZ ARG A 302 2.980 15.196 -6.896 1.00 0.00 C ATOM 154 NH1 ARG A 302 3.917 15.780 -6.137 1.00 0.00 N ATOM 155 NH2 ARG A 302 2.007 15.934 -7.447 1.00 0.00 N ATOM 0 HA ARG A 302 6.320 14.244 -5.528 1.00 0.00 H new ATOM 0 HB2 ARG A 302 5.324 14.958 -7.729 1.00 0.00 H new ATOM 0 HB3 ARG A 302 6.602 14.093 -8.560 1.00 0.00 H new ATOM 0 HG2 ARG A 302 4.811 12.535 -8.511 1.00 0.00 H new ATOM 0 HG3 ARG A 302 5.856 12.005 -7.208 1.00 0.00 H new ATOM 0 HD2 ARG A 302 3.610 11.998 -6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 302 4.418 13.375 -5.599 1.00 0.00 H new ATOM 0 HE ARG A 302 2.287 13.459 -7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 302 4.657 15.217 -5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 302 3.890 16.787 -5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 302 1.294 15.489 -8.024 1.00 0.00 H new ATOM 0 HH22 ARG A 302 1.979 16.941 -7.289 1.00 0.00 H new ATOM 169 N ALA A 303 9.082 13.461 -7.096 1.00 0.00 N ATOM 170 CA ALA A 303 10.168 12.498 -7.171 1.00 0.00 C ATOM 171 C ALA A 303 10.649 12.168 -5.756 1.00 0.00 C ATOM 172 O ALA A 303 11.037 11.035 -5.477 1.00 0.00 O ATOM 173 CB ALA A 303 11.287 13.057 -8.051 1.00 0.00 C ATOM 0 H ALA A 303 9.252 14.335 -7.594 1.00 0.00 H new ATOM 0 HA ALA A 303 9.827 11.570 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 303 12.101 12.334 -8.107 1.00 0.00 H new ATOM 0 HB2 ALA A 303 10.901 13.248 -9.053 1.00 0.00 H new ATOM 0 HB3 ALA A 303 11.657 13.988 -7.622 1.00 0.00 H new ATOM 179 N VAL A 304 10.607 13.179 -4.901 1.00 0.00 N ATOM 180 CA VAL A 304 11.034 13.011 -3.522 1.00 0.00 C ATOM 181 C VAL A 304 10.050 12.091 -2.797 1.00 0.00 C ATOM 182 O VAL A 304 10.461 11.175 -2.085 1.00 0.00 O ATOM 183 CB VAL A 304 11.181 14.378 -2.849 1.00 0.00 C ATOM 184 CG1 VAL A 304 11.458 14.225 -1.353 1.00 0.00 C ATOM 185 CG2 VAL A 304 12.273 15.208 -3.527 1.00 0.00 C ATOM 0 H VAL A 304 10.284 14.117 -5.136 1.00 0.00 H new ATOM 0 HA VAL A 304 12.014 12.536 -3.481 1.00 0.00 H new ATOM 0 HB VAL A 304 10.237 14.911 -2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 304 11.558 15.211 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 304 10.632 13.691 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 304 12.381 13.664 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 304 12.357 16.174 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 304 13.225 14.681 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 304 12.016 15.361 -4.575 1.00 0.00 H new ATOM 195 N ILE A 305 8.771 12.366 -3.002 1.00 0.00 N ATOM 196 CA ILE A 305 7.725 11.574 -2.377 1.00 0.00 C ATOM 197 C ILE A 305 7.859 10.117 -2.824 1.00 0.00 C ATOM 198 O ILE A 305 7.649 9.199 -2.032 1.00 0.00 O ATOM 199 CB ILE A 305 6.350 12.181 -2.662 1.00 0.00 C ATOM 200 CG1 ILE A 305 6.101 13.410 -1.785 1.00 0.00 C ATOM 201 CG2 ILE A 305 5.246 11.134 -2.508 1.00 0.00 C ATOM 202 CD1 ILE A 305 7.308 14.350 -1.803 1.00 0.00 C ATOM 0 H ILE A 305 8.435 13.127 -3.592 1.00 0.00 H new ATOM 0 HA ILE A 305 7.834 11.587 -1.293 1.00 0.00 H new ATOM 0 HB ILE A 305 6.333 12.516 -3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 305 5.217 13.941 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 305 5.896 13.095 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 305 4.279 11.592 -2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 305 5.419 10.317 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 305 5.252 10.746 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 305 7.105 15.215 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 305 8.185 13.824 -1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 305 7.496 14.682 -2.824 1.00 0.00 H new ATOM 214 N GLU A 306 8.207 9.950 -4.091 1.00 0.00 N ATOM 215 CA GLU A 306 8.371 8.620 -4.653 1.00 0.00 C ATOM 216 C GLU A 306 9.513 7.883 -3.950 1.00 0.00 C ATOM 217 O GLU A 306 9.343 6.750 -3.502 1.00 0.00 O ATOM 218 CB GLU A 306 8.610 8.688 -6.163 1.00 0.00 C ATOM 219 CG GLU A 306 7.307 8.971 -6.912 1.00 0.00 C ATOM 220 CD GLU A 306 7.368 8.430 -8.342 1.00 0.00 C ATOM 221 OE1 GLU A 306 8.472 8.491 -8.925 1.00 0.00 O ATOM 222 OE2 GLU A 306 6.310 7.968 -8.820 1.00 0.00 O ATOM 0 H GLU A 306 8.380 10.714 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 306 7.449 8.062 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 306 9.338 9.468 -6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 306 9.036 7.747 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 306 6.472 8.514 -6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 306 7.121 10.045 -6.933 1.00 0.00 H new ATOM 229 N HIS A 307 10.651 8.557 -3.875 1.00 0.00 N ATOM 230 CA HIS A 307 11.821 7.981 -3.233 1.00 0.00 C ATOM 231 C HIS A 307 11.526 7.737 -1.752 1.00 0.00 C ATOM 232 O HIS A 307 11.872 6.688 -1.211 1.00 0.00 O ATOM 233 CB HIS A 307 13.052 8.862 -3.456 1.00 0.00 C ATOM 234 CG HIS A 307 14.359 8.188 -3.113 1.00 0.00 C ATOM 235 ND1 HIS A 307 14.751 6.984 -3.670 1.00 0.00 N ATOM 236 CD2 HIS A 307 15.359 8.564 -2.265 1.00 0.00 C ATOM 237 CE1 HIS A 307 15.935 6.658 -3.173 1.00 0.00 C ATOM 238 NE2 HIS A 307 16.310 7.638 -2.301 1.00 0.00 N ATOM 0 H HIS A 307 10.788 9.496 -4.248 1.00 0.00 H new ATOM 0 HA HIS A 307 12.050 7.016 -3.685 1.00 0.00 H new ATOM 0 HB2 HIS A 307 13.079 9.174 -4.500 1.00 0.00 H new ATOM 0 HB3 HIS A 307 12.953 9.766 -2.856 1.00 0.00 H new ATOM 0 HD2 HIS A 307 15.375 9.462 -1.666 1.00 0.00 H new ATOM 0 HE1 HIS A 307 16.503 5.772 -3.415 1.00 0.00 H new ATOM 0 HE2 HIS A 307 17.178 7.656 -1.765 1.00 0.00 H new ATOM 246 N ASN A 308 10.890 8.724 -1.138 1.00 0.00 N ATOM 247 CA ASN A 308 10.545 8.630 0.270 1.00 0.00 C ATOM 248 C ASN A 308 9.741 7.350 0.510 1.00 0.00 C ATOM 249 O ASN A 308 9.930 6.675 1.520 1.00 0.00 O ATOM 250 CB ASN A 308 9.684 9.817 0.707 1.00 0.00 C ATOM 251 CG ASN A 308 10.431 11.138 0.511 1.00 0.00 C ATOM 252 OD1 ASN A 308 11.615 11.174 0.219 1.00 0.00 O ATOM 253 ND2 ASN A 308 9.676 12.218 0.686 1.00 0.00 N ATOM 0 H ASN A 308 10.605 9.593 -1.590 1.00 0.00 H new ATOM 0 HA ASN A 308 11.472 8.625 0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 308 8.758 9.830 0.132 1.00 0.00 H new ATOM 0 HB3 ASN A 308 9.407 9.704 1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 308 10.082 13.147 0.577 1.00 0.00 H new ATOM 0 HD22 ASN A 308 8.691 12.117 0.930 1.00 0.00 H new ATOM 260 N LEU A 309 8.862 7.056 -0.437 1.00 0.00 N ATOM 261 CA LEU A 309 8.029 5.869 -0.341 1.00 0.00 C ATOM 262 C LEU A 309 8.917 4.624 -0.378 1.00 0.00 C ATOM 263 O LEU A 309 8.793 3.743 0.473 1.00 0.00 O ATOM 264 CB LEU A 309 6.948 5.885 -1.424 1.00 0.00 C ATOM 265 CG LEU A 309 5.518 6.135 -0.940 1.00 0.00 C ATOM 266 CD1 LEU A 309 5.301 7.613 -0.611 1.00 0.00 C ATOM 267 CD2 LEU A 309 4.497 5.617 -1.955 1.00 0.00 C ATOM 0 H LEU A 309 8.709 7.619 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 309 7.496 5.853 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 309 7.203 6.654 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 309 6.972 4.929 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 309 5.367 5.575 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 309 4.277 7.763 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 309 5.993 7.916 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 309 5.478 8.214 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 309 3.489 5.807 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 309 4.638 6.129 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 309 4.636 4.545 -2.096 1.00 0.00 H new ATOM 279 N LEU A 310 9.794 4.590 -1.371 1.00 0.00 N ATOM 280 CA LEU A 310 10.702 3.467 -1.529 1.00 0.00 C ATOM 281 C LEU A 310 11.636 3.397 -0.319 1.00 0.00 C ATOM 282 O LEU A 310 11.861 2.322 0.235 1.00 0.00 O ATOM 283 CB LEU A 310 11.437 3.557 -2.868 1.00 0.00 C ATOM 284 CG LEU A 310 10.615 3.203 -4.109 1.00 0.00 C ATOM 285 CD1 LEU A 310 10.811 1.736 -4.497 1.00 0.00 C ATOM 286 CD2 LEU A 310 9.139 3.549 -3.906 1.00 0.00 C ATOM 0 H LEU A 310 9.895 5.322 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 310 10.147 2.530 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 310 11.815 4.573 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 310 12.303 2.896 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 310 10.976 3.807 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 310 10.216 1.511 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 310 11.864 1.554 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 310 10.493 1.096 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 310 8.577 3.287 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 310 8.748 2.989 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 310 9.039 4.617 -3.714 1.00 0.00 H new ATOM 298 N SER A 311 12.153 4.558 0.057 1.00 0.00 N ATOM 299 CA SER A 311 13.057 4.642 1.191 1.00 0.00 C ATOM 300 C SER A 311 12.346 4.174 2.463 1.00 0.00 C ATOM 301 O SER A 311 12.955 3.533 3.318 1.00 0.00 O ATOM 302 CB SER A 311 13.583 6.067 1.372 1.00 0.00 C ATOM 303 OG SER A 311 14.997 6.139 1.212 1.00 0.00 O ATOM 0 H SER A 311 11.963 5.448 -0.404 1.00 0.00 H new ATOM 0 HA SER A 311 13.909 3.991 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 311 13.102 6.725 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 311 13.311 6.430 2.363 1.00 0.00 H new ATOM 0 HG SER A 311 15.293 7.065 1.333 1.00 0.00 H new ATOM 309 N ALA A 312 11.068 4.512 2.546 1.00 0.00 N ATOM 310 CA ALA A 312 10.268 4.134 3.699 1.00 0.00 C ATOM 311 C ALA A 312 10.027 2.624 3.674 1.00 0.00 C ATOM 312 O ALA A 312 9.865 2.000 4.722 1.00 0.00 O ATOM 313 CB ALA A 312 8.963 4.933 3.698 1.00 0.00 C ATOM 0 H ALA A 312 10.567 5.043 1.834 1.00 0.00 H new ATOM 0 HA ALA A 312 10.794 4.368 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 312 8.362 4.650 4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 312 9.189 5.998 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 312 8.407 4.721 2.785 1.00 0.00 H new ATOM 319 N SER A 313 10.012 2.079 2.467 1.00 0.00 N ATOM 320 CA SER A 313 9.794 0.653 2.292 1.00 0.00 C ATOM 321 C SER A 313 10.931 -0.135 2.946 1.00 0.00 C ATOM 322 O SER A 313 10.698 -1.178 3.555 1.00 0.00 O ATOM 323 CB SER A 313 9.681 0.291 0.809 1.00 0.00 C ATOM 324 OG SER A 313 10.953 0.017 0.228 1.00 0.00 O ATOM 0 H SER A 313 10.147 2.599 1.600 1.00 0.00 H new ATOM 0 HA SER A 313 8.853 0.389 2.775 1.00 0.00 H new ATOM 0 HB2 SER A 313 9.036 -0.580 0.697 1.00 0.00 H new ATOM 0 HB3 SER A 313 9.206 1.111 0.271 1.00 0.00 H new ATOM 0 HG SER A 313 11.351 0.852 -0.096 1.00 0.00 H new ATOM 330 N LYS A 314 12.136 0.395 2.797 1.00 0.00 N ATOM 331 CA LYS A 314 13.310 -0.245 3.365 1.00 0.00 C ATOM 332 C LYS A 314 13.404 0.101 4.853 1.00 0.00 C ATOM 333 O LYS A 314 13.955 -0.669 5.639 1.00 0.00 O ATOM 334 CB LYS A 314 14.562 0.125 2.567 1.00 0.00 C ATOM 335 CG LYS A 314 14.537 -0.516 1.179 1.00 0.00 C ATOM 336 CD LYS A 314 15.778 -0.128 0.373 1.00 0.00 C ATOM 337 CE LYS A 314 15.547 1.173 -0.398 1.00 0.00 C ATOM 338 NZ LYS A 314 16.815 1.658 -0.988 1.00 0.00 N ATOM 0 H LYS A 314 12.325 1.260 2.291 1.00 0.00 H new ATOM 0 HA LYS A 314 13.225 -1.329 3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 314 14.628 1.209 2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 314 15.451 -0.202 3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 314 14.487 -1.600 1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 314 13.640 -0.202 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 314 16.629 -0.011 1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 314 16.028 -0.928 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 314 14.811 1.010 -1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 314 15.137 1.930 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 314 16.640 2.542 -1.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 314 17.506 1.833 -0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 314 17.191 0.941 -1.641 1.00 0.00 H new ATOM 352 N LEU A 315 12.859 1.259 5.194 1.00 0.00 N ATOM 353 CA LEU A 315 12.875 1.716 6.573 1.00 0.00 C ATOM 354 C LEU A 315 11.742 1.036 7.344 1.00 0.00 C ATOM 355 O LEU A 315 11.948 -0.001 7.971 1.00 0.00 O ATOM 356 CB LEU A 315 12.828 3.244 6.632 1.00 0.00 C ATOM 357 CG LEU A 315 14.178 3.960 6.545 1.00 0.00 C ATOM 358 CD1 LEU A 315 14.059 5.260 5.746 1.00 0.00 C ATOM 359 CD2 LEU A 315 14.763 4.196 7.939 1.00 0.00 C ATOM 0 H LEU A 315 12.403 1.895 4.539 1.00 0.00 H new ATOM 0 HA LEU A 315 13.808 1.430 7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 315 12.197 3.600 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 315 12.343 3.537 7.563 1.00 0.00 H new ATOM 0 HG LEU A 315 14.873 3.315 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 315 15.032 5.749 5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 315 13.717 5.036 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 315 13.343 5.922 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 315 15.722 4.706 7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 315 14.078 4.811 8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 315 14.907 3.239 8.440 1.00 0.00 H new ATOM 371 N TYR A 316 10.569 1.649 7.272 1.00 0.00 N ATOM 372 CA TYR A 316 9.403 1.116 7.955 1.00 0.00 C ATOM 373 C TYR A 316 8.875 -0.133 7.246 1.00 0.00 C ATOM 374 O TYR A 316 9.086 -0.306 6.047 1.00 0.00 O ATOM 375 CB TYR A 316 8.338 2.213 7.891 1.00 0.00 C ATOM 376 CG TYR A 316 8.749 3.519 8.573 1.00 0.00 C ATOM 377 CD1 TYR A 316 9.433 4.484 7.862 1.00 0.00 C ATOM 378 CD2 TYR A 316 8.434 3.733 9.900 1.00 0.00 C ATOM 379 CE1 TYR A 316 9.819 5.713 8.505 1.00 0.00 C ATOM 380 CE2 TYR A 316 8.821 4.963 10.542 1.00 0.00 C ATOM 381 CZ TYR A 316 9.494 5.892 9.813 1.00 0.00 C ATOM 382 OH TYR A 316 9.859 7.053 10.419 1.00 0.00 O ATOM 0 H TYR A 316 10.402 2.510 6.751 1.00 0.00 H new ATOM 0 HA TYR A 316 9.653 0.835 8.978 1.00 0.00 H new ATOM 0 HB2 TYR A 316 8.105 2.418 6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 316 7.423 1.845 8.355 1.00 0.00 H new ATOM 0 HD1 TYR A 316 9.679 4.317 6.824 1.00 0.00 H new ATOM 0 HD2 TYR A 316 7.898 2.979 10.456 1.00 0.00 H new ATOM 0 HE1 TYR A 316 10.355 6.476 7.960 1.00 0.00 H new ATOM 0 HE2 TYR A 316 8.582 5.143 11.580 1.00 0.00 H new ATOM 0 HH TYR A 316 9.560 7.043 11.352 1.00 0.00 H new ATOM 392 N ASN A 317 8.199 -0.971 8.018 1.00 0.00 N ATOM 393 CA ASN A 317 7.639 -2.199 7.479 1.00 0.00 C ATOM 394 C ASN A 317 6.200 -1.943 7.028 1.00 0.00 C ATOM 395 O ASN A 317 5.781 -2.420 5.974 1.00 0.00 O ATOM 396 CB ASN A 317 7.614 -3.304 8.537 1.00 0.00 C ATOM 397 CG ASN A 317 9.032 -3.749 8.898 1.00 0.00 C ATOM 398 OD1 ASN A 317 9.666 -4.520 8.196 1.00 0.00 O ATOM 399 ND2 ASN A 317 9.492 -3.224 10.030 1.00 0.00 N ATOM 0 H ASN A 317 8.026 -0.824 9.012 1.00 0.00 H new ATOM 0 HA ASN A 317 8.262 -2.515 6.642 1.00 0.00 H new ATOM 0 HB2 ASN A 317 7.103 -2.945 9.431 1.00 0.00 H new ATOM 0 HB3 ASN A 317 7.045 -4.156 8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 317 10.428 -3.461 10.358 1.00 0.00 H new ATOM 0 HD22 ASN A 317 8.909 -2.585 10.570 1.00 0.00 H new ATOM 406 N ASN A 318 5.481 -1.191 7.848 1.00 0.00 N ATOM 407 CA ASN A 318 4.097 -0.866 7.547 1.00 0.00 C ATOM 408 C ASN A 318 3.774 0.527 8.092 1.00 0.00 C ATOM 409 O ASN A 318 4.145 0.858 9.218 1.00 0.00 O ATOM 410 CB ASN A 318 3.141 -1.864 8.203 1.00 0.00 C ATOM 411 CG ASN A 318 3.771 -2.487 9.451 1.00 0.00 C ATOM 412 OD1 ASN A 318 4.227 -3.618 9.449 1.00 0.00 O ATOM 413 ND2 ASN A 318 3.770 -1.687 10.514 1.00 0.00 N ATOM 0 H ASN A 318 5.831 -0.797 8.721 1.00 0.00 H new ATOM 0 HA ASN A 318 3.970 -0.903 6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 318 2.213 -1.361 8.473 1.00 0.00 H new ATOM 0 HB3 ASN A 318 2.883 -2.648 7.491 1.00 0.00 H new ATOM 0 HD21 ASN A 318 4.168 -2.010 11.396 1.00 0.00 H new ATOM 0 HD22 ASN A 318 3.372 -0.750 10.447 1.00 0.00 H new ATOM 420 N ILE A 319 3.087 1.305 7.269 1.00 0.00 N ATOM 421 CA ILE A 319 2.710 2.654 7.655 1.00 0.00 C ATOM 422 C ILE A 319 1.356 2.999 7.032 1.00 0.00 C ATOM 423 O ILE A 319 1.043 2.548 5.931 1.00 0.00 O ATOM 424 CB ILE A 319 3.821 3.644 7.299 1.00 0.00 C ATOM 425 CG1 ILE A 319 3.471 5.056 7.773 1.00 0.00 C ATOM 426 CG2 ILE A 319 4.131 3.603 5.801 1.00 0.00 C ATOM 427 CD1 ILE A 319 4.489 6.075 7.258 1.00 0.00 C ATOM 0 H ILE A 319 2.782 1.027 6.336 1.00 0.00 H new ATOM 0 HA ILE A 319 2.590 2.721 8.736 1.00 0.00 H new ATOM 0 HB ILE A 319 4.727 3.344 7.825 1.00 0.00 H new ATOM 0 HG12 ILE A 319 2.474 5.324 7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 319 3.445 5.082 8.862 1.00 0.00 H new ATOM 0 HG21 ILE A 319 4.924 4.316 5.574 1.00 0.00 H new ATOM 0 HG22 ILE A 319 4.454 2.600 5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 319 3.236 3.864 5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 319 4.217 7.070 7.609 1.00 0.00 H new ATOM 0 HD12 ILE A 319 5.481 5.818 7.629 1.00 0.00 H new ATOM 0 HD13 ILE A 319 4.495 6.064 6.168 1.00 0.00 H new ATOM 439 N THR A 320 0.589 3.795 7.763 1.00 0.00 N ATOM 440 CA THR A 320 -0.724 4.205 7.296 1.00 0.00 C ATOM 441 C THR A 320 -0.611 5.448 6.411 1.00 0.00 C ATOM 442 O THR A 320 0.387 6.166 6.467 1.00 0.00 O ATOM 443 CB THR A 320 -1.619 4.410 8.520 1.00 0.00 C ATOM 444 OG1 THR A 320 -0.968 5.441 9.257 1.00 0.00 O ATOM 445 CG2 THR A 320 -1.601 3.208 9.466 1.00 0.00 C ATOM 0 H THR A 320 0.852 4.167 8.676 1.00 0.00 H new ATOM 0 HA THR A 320 -1.178 3.438 6.669 1.00 0.00 H new ATOM 0 HB THR A 320 -2.642 4.600 8.194 1.00 0.00 H new ATOM 0 HG1 THR A 320 -1.483 5.639 10.067 1.00 0.00 H new ATOM 0 HG21 THR A 320 -2.252 3.405 10.318 1.00 0.00 H new ATOM 0 HG22 THR A 320 -1.954 2.323 8.937 1.00 0.00 H new ATOM 0 HG23 THR A 320 -0.584 3.038 9.819 1.00 0.00 H new ATOM 453 N PHE A 321 -1.647 5.665 5.614 1.00 0.00 N ATOM 454 CA PHE A 321 -1.676 6.808 4.719 1.00 0.00 C ATOM 455 C PHE A 321 -1.479 8.114 5.491 1.00 0.00 C ATOM 456 O PHE A 321 -0.796 9.022 5.019 1.00 0.00 O ATOM 457 CB PHE A 321 -3.056 6.824 4.058 1.00 0.00 C ATOM 458 CG PHE A 321 -3.444 5.500 3.397 1.00 0.00 C ATOM 459 CD1 PHE A 321 -2.706 5.015 2.362 1.00 0.00 C ATOM 460 CD2 PHE A 321 -4.527 4.809 3.842 1.00 0.00 C ATOM 461 CE1 PHE A 321 -3.067 3.786 1.748 1.00 0.00 C ATOM 462 CE2 PHE A 321 -4.888 3.580 3.228 1.00 0.00 C ATOM 463 CZ PHE A 321 -4.150 3.095 2.194 1.00 0.00 C ATOM 0 H PHE A 321 -2.473 5.068 5.570 1.00 0.00 H new ATOM 0 HA PHE A 321 -0.874 6.726 3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 321 -3.804 7.077 4.809 1.00 0.00 H new ATOM 0 HB3 PHE A 321 -3.079 7.614 3.307 1.00 0.00 H new ATOM 0 HD1 PHE A 321 -1.846 5.564 2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 321 -5.113 5.195 4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 321 -2.481 3.400 0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 321 -5.748 3.031 3.582 1.00 0.00 H new ATOM 0 HZ PHE A 321 -4.424 2.161 1.727 1.00 0.00 H new ATOM 473 N GLU A 322 -2.090 8.168 6.666 1.00 0.00 N ATOM 474 CA GLU A 322 -1.990 9.348 7.508 1.00 0.00 C ATOM 475 C GLU A 322 -0.536 9.581 7.925 1.00 0.00 C ATOM 476 O GLU A 322 -0.022 10.691 7.803 1.00 0.00 O ATOM 477 CB GLU A 322 -2.899 9.227 8.732 1.00 0.00 C ATOM 478 CG GLU A 322 -4.367 9.423 8.347 1.00 0.00 C ATOM 479 CD GLU A 322 -5.266 9.400 9.585 1.00 0.00 C ATOM 480 OE1 GLU A 322 -5.113 8.448 10.380 1.00 0.00 O ATOM 481 OE2 GLU A 322 -6.086 10.335 9.707 1.00 0.00 O ATOM 0 H GLU A 322 -2.656 7.414 7.054 1.00 0.00 H new ATOM 0 HA GLU A 322 -2.325 10.211 6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 322 -2.768 8.247 9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 322 -2.613 9.969 9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 322 -4.486 10.372 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 322 -4.673 8.638 7.656 1.00 0.00 H new ATOM 488 N GLU A 323 0.085 8.515 8.410 1.00 0.00 N ATOM 489 CA GLU A 323 1.469 8.589 8.846 1.00 0.00 C ATOM 490 C GLU A 323 2.395 8.778 7.643 1.00 0.00 C ATOM 491 O GLU A 323 3.282 9.630 7.665 1.00 0.00 O ATOM 492 CB GLU A 323 1.858 7.346 9.647 1.00 0.00 C ATOM 493 CG GLU A 323 1.132 7.312 10.994 1.00 0.00 C ATOM 494 CD GLU A 323 1.600 8.454 11.898 1.00 0.00 C ATOM 495 OE1 GLU A 323 2.834 8.628 12.000 1.00 0.00 O ATOM 496 OE2 GLU A 323 0.714 9.126 12.468 1.00 0.00 O ATOM 0 H GLU A 323 -0.345 7.596 8.510 1.00 0.00 H new ATOM 0 HA GLU A 323 1.577 9.453 9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 323 1.614 6.450 9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 323 2.936 7.337 9.810 1.00 0.00 H new ATOM 0 HG2 GLU A 323 0.057 7.388 10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 323 1.314 6.356 11.485 1.00 0.00 H new ATOM 503 N LEU A 324 2.157 7.970 6.620 1.00 0.00 N ATOM 504 CA LEU A 324 2.959 8.037 5.411 1.00 0.00 C ATOM 505 C LEU A 324 2.892 9.454 4.838 1.00 0.00 C ATOM 506 O LEU A 324 3.909 10.010 4.426 1.00 0.00 O ATOM 507 CB LEU A 324 2.528 6.952 4.421 1.00 0.00 C ATOM 508 CG LEU A 324 3.585 6.512 3.406 1.00 0.00 C ATOM 509 CD1 LEU A 324 3.198 5.185 2.752 1.00 0.00 C ATOM 510 CD2 LEU A 324 3.840 7.609 2.370 1.00 0.00 C ATOM 0 H LEU A 324 1.420 7.265 6.604 1.00 0.00 H new ATOM 0 HA LEU A 324 4.006 7.833 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 324 2.210 6.077 4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 324 1.656 7.312 3.875 1.00 0.00 H new ATOM 0 HG LEU A 324 4.522 6.347 3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 324 3.966 4.895 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 324 3.107 4.415 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 324 2.244 5.298 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 324 4.595 7.271 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 324 2.915 7.829 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 324 4.192 8.510 2.873 1.00 0.00 H new ATOM 522 N GLY A 325 1.683 9.998 4.830 1.00 0.00 N ATOM 523 CA GLY A 325 1.470 11.339 4.314 1.00 0.00 C ATOM 524 C GLY A 325 2.132 12.385 5.214 1.00 0.00 C ATOM 525 O GLY A 325 2.593 13.419 4.735 1.00 0.00 O ATOM 0 H GLY A 325 0.842 9.534 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 325 1.876 11.413 3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 325 0.401 11.540 4.243 1.00 0.00 H new ATOM 529 N ALA A 326 2.158 12.078 6.503 1.00 0.00 N ATOM 530 CA ALA A 326 2.755 12.978 7.475 1.00 0.00 C ATOM 531 C ALA A 326 4.277 12.951 7.320 1.00 0.00 C ATOM 532 O ALA A 326 4.957 13.917 7.662 1.00 0.00 O ATOM 533 CB ALA A 326 2.305 12.582 8.882 1.00 0.00 C ATOM 0 H ALA A 326 1.775 11.218 6.897 1.00 0.00 H new ATOM 0 HA ALA A 326 2.424 14.002 7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 326 2.753 13.257 9.611 1.00 0.00 H new ATOM 0 HB2 ALA A 326 1.219 12.646 8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 326 2.622 11.560 9.091 1.00 0.00 H new ATOM 539 N LEU A 327 4.768 11.833 6.803 1.00 0.00 N ATOM 540 CA LEU A 327 6.197 11.667 6.599 1.00 0.00 C ATOM 541 C LEU A 327 6.632 12.485 5.382 1.00 0.00 C ATOM 542 O LEU A 327 7.712 13.074 5.378 1.00 0.00 O ATOM 543 CB LEU A 327 6.556 10.183 6.503 1.00 0.00 C ATOM 544 CG LEU A 327 7.641 9.820 5.488 1.00 0.00 C ATOM 545 CD1 LEU A 327 9.003 10.366 5.922 1.00 0.00 C ATOM 546 CD2 LEU A 327 7.680 8.310 5.244 1.00 0.00 C ATOM 0 H LEU A 327 4.201 11.034 6.520 1.00 0.00 H new ATOM 0 HA LEU A 327 6.751 12.050 7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 327 6.879 9.843 7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 327 5.653 9.626 6.254 1.00 0.00 H new ATOM 0 HG LEU A 327 7.392 10.293 4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 327 9.756 10.094 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 327 8.950 11.452 6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 327 9.274 9.942 6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 327 8.460 8.079 4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 327 7.892 7.795 6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 327 6.716 7.979 4.858 1.00 0.00 H new ATOM 558 N LEU A 328 5.768 12.496 4.377 1.00 0.00 N ATOM 559 CA LEU A 328 6.050 13.232 3.156 1.00 0.00 C ATOM 560 C LEU A 328 5.403 14.616 3.239 1.00 0.00 C ATOM 561 O LEU A 328 5.568 15.438 2.339 1.00 0.00 O ATOM 562 CB LEU A 328 5.617 12.424 1.931 1.00 0.00 C ATOM 563 CG LEU A 328 5.595 10.904 2.104 1.00 0.00 C ATOM 564 CD1 LEU A 328 4.336 10.299 1.479 1.00 0.00 C ATOM 565 CD2 LEU A 328 6.872 10.270 1.549 1.00 0.00 C ATOM 0 H LEU A 328 4.873 12.007 4.383 1.00 0.00 H new ATOM 0 HA LEU A 328 7.123 13.387 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 328 4.619 12.751 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 328 6.286 12.666 1.105 1.00 0.00 H new ATOM 0 HG LEU A 328 5.563 10.682 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 328 4.345 9.218 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 328 3.453 10.718 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 328 4.312 10.530 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 328 6.830 9.189 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 328 6.960 10.499 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 328 7.737 10.669 2.079 1.00 0.00 H new ATOM 577 N GLU A 329 4.680 14.831 4.328 1.00 0.00 N ATOM 578 CA GLU A 329 4.007 16.102 4.541 1.00 0.00 C ATOM 579 C GLU A 329 2.762 16.198 3.657 1.00 0.00 C ATOM 580 O GLU A 329 2.061 17.208 3.673 1.00 0.00 O ATOM 581 CB GLU A 329 4.955 17.274 4.281 1.00 0.00 C ATOM 582 CG GLU A 329 6.309 17.044 4.955 1.00 0.00 C ATOM 583 CD GLU A 329 7.382 17.958 4.357 1.00 0.00 C ATOM 584 OE1 GLU A 329 7.587 17.863 3.128 1.00 0.00 O ATOM 585 OE2 GLU A 329 7.972 18.730 5.144 1.00 0.00 O ATOM 0 H GLU A 329 4.545 14.147 5.072 1.00 0.00 H new ATOM 0 HA GLU A 329 3.694 16.155 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 329 5.096 17.401 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 329 4.510 18.196 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 329 6.223 17.231 6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 329 6.606 16.002 4.836 1.00 0.00 H new ATOM 592 N ILE A 330 2.524 15.132 2.907 1.00 0.00 N ATOM 593 CA ILE A 330 1.376 15.083 2.018 1.00 0.00 C ATOM 594 C ILE A 330 0.226 14.355 2.717 1.00 0.00 C ATOM 595 O ILE A 330 0.439 13.657 3.707 1.00 0.00 O ATOM 596 CB ILE A 330 1.765 14.467 0.673 1.00 0.00 C ATOM 597 CG1 ILE A 330 1.784 12.939 0.753 1.00 0.00 C ATOM 598 CG2 ILE A 330 3.098 15.031 0.177 1.00 0.00 C ATOM 599 CD1 ILE A 330 2.096 12.322 -0.611 1.00 0.00 C ATOM 0 H ILE A 330 3.107 14.295 2.897 1.00 0.00 H new ATOM 0 HA ILE A 330 1.027 16.090 1.792 1.00 0.00 H new ATOM 0 HB ILE A 330 1.006 14.741 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.530 12.619 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 330 0.818 12.578 1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 330 3.351 14.577 -0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 330 3.013 16.111 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 330 3.880 14.808 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 330 2.103 11.235 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 330 1.335 12.624 -1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 330 3.073 12.666 -0.951 1.00 0.00 H new ATOM 611 N PRO A 331 -1.000 14.549 2.161 1.00 0.00 N ATOM 612 CA PRO A 331 -2.184 13.919 2.720 1.00 0.00 C ATOM 613 C PRO A 331 -2.225 12.428 2.378 1.00 0.00 C ATOM 614 O PRO A 331 -1.558 11.983 1.446 1.00 0.00 O ATOM 615 CB PRO A 331 -3.354 14.695 2.138 1.00 0.00 C ATOM 616 CG PRO A 331 -2.807 15.424 0.921 1.00 0.00 C ATOM 617 CD PRO A 331 -1.290 15.369 0.988 1.00 0.00 C ATOM 0 HA PRO A 331 -2.204 13.952 3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.167 14.025 1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -3.757 15.399 2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -3.166 14.958 0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -3.151 16.458 0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -0.869 14.929 0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -0.862 16.366 1.086 1.00 0.00 H new ATOM 625 N ALA A 332 -3.016 11.699 3.151 1.00 0.00 N ATOM 626 CA ALA A 332 -3.154 10.267 2.942 1.00 0.00 C ATOM 627 C ALA A 332 -3.670 10.011 1.525 1.00 0.00 C ATOM 628 O ALA A 332 -3.273 9.040 0.882 1.00 0.00 O ATOM 629 CB ALA A 332 -4.076 9.681 4.013 1.00 0.00 C ATOM 0 H ALA A 332 -3.568 12.073 3.923 1.00 0.00 H new ATOM 0 HA ALA A 332 -2.188 9.770 3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 332 -4.179 8.607 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 332 -3.650 9.864 5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 332 -5.056 10.153 3.947 1.00 0.00 H new ATOM 635 N ALA A 333 -4.546 10.898 1.078 1.00 0.00 N ATOM 636 CA ALA A 333 -5.120 10.780 -0.251 1.00 0.00 C ATOM 637 C ALA A 333 -4.006 10.886 -1.294 1.00 0.00 C ATOM 638 O ALA A 333 -4.042 10.204 -2.317 1.00 0.00 O ATOM 639 CB ALA A 333 -6.198 11.849 -0.439 1.00 0.00 C ATOM 0 H ALA A 333 -4.873 11.702 1.613 1.00 0.00 H new ATOM 0 HA ALA A 333 -5.599 9.809 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 333 -6.628 11.760 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 333 -6.980 11.712 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 333 -5.754 12.838 -0.322 1.00 0.00 H new ATOM 645 N LYS A 334 -3.043 11.747 -0.999 1.00 0.00 N ATOM 646 CA LYS A 334 -1.920 11.951 -1.899 1.00 0.00 C ATOM 647 C LYS A 334 -0.965 10.760 -1.794 1.00 0.00 C ATOM 648 O LYS A 334 -0.542 10.207 -2.808 1.00 0.00 O ATOM 649 CB LYS A 334 -1.253 13.300 -1.626 1.00 0.00 C ATOM 650 CG LYS A 334 -0.565 13.836 -2.883 1.00 0.00 C ATOM 651 CD LYS A 334 -1.591 14.179 -3.966 1.00 0.00 C ATOM 652 CE LYS A 334 -1.253 13.477 -5.283 1.00 0.00 C ATOM 653 NZ LYS A 334 -2.478 12.931 -5.908 1.00 0.00 N ATOM 0 H LYS A 334 -3.017 12.311 -0.150 1.00 0.00 H new ATOM 0 HA LYS A 334 -2.263 11.995 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -2.000 14.016 -1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -0.522 13.193 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 334 0.016 14.724 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 334 0.136 13.093 -3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -2.586 13.882 -3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -1.615 15.258 -4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -0.772 14.180 -5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -0.541 12.672 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -2.231 12.458 -6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -2.920 12.245 -5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -3.145 13.706 -6.100 1.00 0.00 H new ATOM 667 N ALA A 335 -0.653 10.401 -0.558 1.00 0.00 N ATOM 668 CA ALA A 335 0.245 9.286 -0.307 1.00 0.00 C ATOM 669 C ALA A 335 -0.401 7.993 -0.809 1.00 0.00 C ATOM 670 O ALA A 335 0.294 7.073 -1.237 1.00 0.00 O ATOM 671 CB ALA A 335 0.583 9.228 1.184 1.00 0.00 C ATOM 0 H ALA A 335 -1.006 10.862 0.281 1.00 0.00 H new ATOM 0 HA ALA A 335 1.182 9.418 -0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 335 1.256 8.392 1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 335 1.066 10.158 1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 335 -0.333 9.093 1.760 1.00 0.00 H new ATOM 677 N GLU A 336 -1.724 7.965 -0.740 1.00 0.00 N ATOM 678 CA GLU A 336 -2.472 6.801 -1.182 1.00 0.00 C ATOM 679 C GLU A 336 -2.425 6.687 -2.707 1.00 0.00 C ATOM 680 O GLU A 336 -2.167 5.612 -3.245 1.00 0.00 O ATOM 681 CB GLU A 336 -3.917 6.854 -0.681 1.00 0.00 C ATOM 682 CG GLU A 336 -4.704 5.627 -1.145 1.00 0.00 C ATOM 683 CD GLU A 336 -6.177 5.974 -1.373 1.00 0.00 C ATOM 684 OE1 GLU A 336 -6.421 6.969 -2.090 1.00 0.00 O ATOM 685 OE2 GLU A 336 -7.025 5.237 -0.825 1.00 0.00 O ATOM 0 H GLU A 336 -2.297 8.730 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 336 -2.007 5.912 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 336 -3.926 6.906 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 336 -4.400 7.760 -1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 336 -4.271 5.240 -2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 336 -4.624 4.836 -0.399 1.00 0.00 H new ATOM 692 N LYS A 337 -2.678 7.812 -3.360 1.00 0.00 N ATOM 693 CA LYS A 337 -2.668 7.852 -4.813 1.00 0.00 C ATOM 694 C LYS A 337 -1.248 7.583 -5.316 1.00 0.00 C ATOM 695 O LYS A 337 -1.052 6.792 -6.237 1.00 0.00 O ATOM 696 CB LYS A 337 -3.260 9.170 -5.316 1.00 0.00 C ATOM 697 CG LYS A 337 -4.754 9.257 -5.000 1.00 0.00 C ATOM 698 CD LYS A 337 -5.588 8.617 -6.112 1.00 0.00 C ATOM 699 CE LYS A 337 -6.708 7.753 -5.529 1.00 0.00 C ATOM 700 NZ LYS A 337 -7.704 7.422 -6.572 1.00 0.00 N ATOM 0 H LYS A 337 -2.891 8.702 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 337 -3.305 7.067 -5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 337 -2.738 10.007 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 337 -3.107 9.254 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 337 -4.959 8.757 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 337 -5.043 10.301 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 337 -6.016 9.395 -6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 337 -4.946 8.007 -6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 337 -6.289 6.836 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 337 -7.194 8.282 -4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 -8.457 6.835 -6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 -8.116 8.299 -6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 -7.240 6.899 -7.342 1.00 0.00 H new ATOM 714 N ILE A 338 -0.295 8.257 -4.689 1.00 0.00 N ATOM 715 CA ILE A 338 1.101 8.100 -5.062 1.00 0.00 C ATOM 716 C ILE A 338 1.540 6.661 -4.785 1.00 0.00 C ATOM 717 O ILE A 338 2.159 6.023 -5.635 1.00 0.00 O ATOM 718 CB ILE A 338 1.963 9.152 -4.361 1.00 0.00 C ATOM 719 CG1 ILE A 338 1.570 10.564 -4.798 1.00 0.00 C ATOM 720 CG2 ILE A 338 3.452 8.877 -4.583 1.00 0.00 C ATOM 721 CD1 ILE A 338 2.338 11.619 -4.000 1.00 0.00 C ATOM 0 H ILE A 338 -0.462 8.913 -3.926 1.00 0.00 H new ATOM 0 HA ILE A 338 1.232 8.273 -6.130 1.00 0.00 H new ATOM 0 HB ILE A 338 1.779 9.084 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 338 1.773 10.689 -5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 338 0.498 10.706 -4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 338 4.043 9.639 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 338 3.704 7.895 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 338 3.671 8.901 -5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 338 2.040 12.614 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 338 2.114 11.507 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 338 3.408 11.489 -4.161 1.00 0.00 H new ATOM 733 N ALA A 339 1.202 6.191 -3.593 1.00 0.00 N ATOM 734 CA ALA A 339 1.553 4.839 -3.194 1.00 0.00 C ATOM 735 C ALA A 339 0.987 3.848 -4.213 1.00 0.00 C ATOM 736 O ALA A 339 1.677 2.919 -4.630 1.00 0.00 O ATOM 737 CB ALA A 339 1.041 4.575 -1.777 1.00 0.00 C ATOM 0 H ALA A 339 0.688 6.723 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 339 2.636 4.713 -3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 339 1.305 3.560 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 339 1.496 5.286 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -0.043 4.690 -1.754 1.00 0.00 H new ATOM 743 N SER A 340 -0.263 4.080 -4.585 1.00 0.00 N ATOM 744 CA SER A 340 -0.929 3.219 -5.547 1.00 0.00 C ATOM 745 C SER A 340 -0.344 3.443 -6.943 1.00 0.00 C ATOM 746 O SER A 340 -0.107 2.487 -7.681 1.00 0.00 O ATOM 747 CB SER A 340 -2.439 3.471 -5.559 1.00 0.00 C ATOM 748 OG SER A 340 -2.855 4.167 -6.730 1.00 0.00 O ATOM 0 H SER A 340 -0.832 4.852 -4.238 1.00 0.00 H new ATOM 0 HA SER A 340 -0.762 2.183 -5.251 1.00 0.00 H new ATOM 0 HB2 SER A 340 -2.966 2.519 -5.497 1.00 0.00 H new ATOM 0 HB3 SER A 340 -2.717 4.047 -4.677 1.00 0.00 H new ATOM 0 HG SER A 340 -3.824 4.307 -6.700 1.00 0.00 H new ATOM 754 N GLN A 341 -0.126 4.710 -7.263 1.00 0.00 N ATOM 755 CA GLN A 341 0.427 5.071 -8.557 1.00 0.00 C ATOM 756 C GLN A 341 1.802 4.426 -8.745 1.00 0.00 C ATOM 757 O GLN A 341 2.126 3.952 -9.833 1.00 0.00 O ATOM 758 CB GLN A 341 0.508 6.590 -8.714 1.00 0.00 C ATOM 759 CG GLN A 341 -0.671 7.120 -9.533 1.00 0.00 C ATOM 760 CD GLN A 341 -1.993 6.539 -9.030 1.00 0.00 C ATOM 761 OE1 GLN A 341 -2.605 7.035 -8.098 1.00 0.00 O ATOM 762 NE2 GLN A 341 -2.400 5.462 -9.697 1.00 0.00 N ATOM 0 H GLN A 341 -0.322 5.500 -6.648 1.00 0.00 H new ATOM 0 HA GLN A 341 -0.239 4.694 -9.333 1.00 0.00 H new ATOM 0 HB2 GLN A 341 0.514 7.061 -7.731 1.00 0.00 H new ATOM 0 HB3 GLN A 341 1.445 6.859 -9.202 1.00 0.00 H new ATOM 0 HG2 GLN A 341 -0.701 8.208 -9.472 1.00 0.00 H new ATOM 0 HG3 GLN A 341 -0.533 6.864 -10.583 1.00 0.00 H new ATOM 0 HE21 GLN A 341 -1.840 5.098 -10.468 1.00 0.00 H new ATOM 0 HE22 GLN A 341 -3.272 5.001 -9.437 1.00 0.00 H new ATOM 771 N MET A 342 2.573 4.428 -7.668 1.00 0.00 N ATOM 772 CA MET A 342 3.905 3.849 -7.700 1.00 0.00 C ATOM 773 C MET A 342 3.844 2.349 -7.992 1.00 0.00 C ATOM 774 O MET A 342 4.559 1.852 -8.861 1.00 0.00 O ATOM 775 CB MET A 342 4.595 4.080 -6.354 1.00 0.00 C ATOM 776 CG MET A 342 4.909 5.563 -6.146 1.00 0.00 C ATOM 777 SD MET A 342 6.492 5.959 -6.871 1.00 0.00 S ATOM 778 CE MET A 342 7.563 4.980 -5.832 1.00 0.00 C ATOM 0 H MET A 342 2.301 4.822 -6.767 1.00 0.00 H new ATOM 0 HA MET A 342 4.472 4.332 -8.496 1.00 0.00 H new ATOM 0 HB2 MET A 342 3.955 3.724 -5.547 1.00 0.00 H new ATOM 0 HB3 MET A 342 5.517 3.500 -6.309 1.00 0.00 H new ATOM 0 HG2 MET A 342 4.129 6.175 -6.598 1.00 0.00 H new ATOM 0 HG3 MET A 342 4.919 5.795 -5.081 1.00 0.00 H new ATOM 0 HE1 MET A 342 8.499 5.514 -5.668 1.00 0.00 H new ATOM 0 HE2 MET A 342 7.075 4.800 -4.874 1.00 0.00 H new ATOM 0 HE3 MET A 342 7.770 4.027 -6.318 1.00 0.00 H new ATOM 788 N ILE A 343 2.984 1.668 -7.249 1.00 0.00 N ATOM 789 CA ILE A 343 2.820 0.234 -7.418 1.00 0.00 C ATOM 790 C ILE A 343 2.178 -0.045 -8.778 1.00 0.00 C ATOM 791 O ILE A 343 2.587 -0.965 -9.485 1.00 0.00 O ATOM 792 CB ILE A 343 2.046 -0.359 -6.239 1.00 0.00 C ATOM 793 CG1 ILE A 343 2.894 -0.348 -4.965 1.00 0.00 C ATOM 794 CG2 ILE A 343 1.529 -1.760 -6.571 1.00 0.00 C ATOM 795 CD1 ILE A 343 2.043 -0.679 -3.737 1.00 0.00 C ATOM 0 H ILE A 343 2.393 2.083 -6.528 1.00 0.00 H new ATOM 0 HA ILE A 343 3.790 -0.263 -7.415 1.00 0.00 H new ATOM 0 HB ILE A 343 1.175 0.269 -6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 343 3.704 -1.072 -5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 343 3.355 0.632 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 343 0.983 -2.158 -5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 343 0.865 -1.708 -7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 343 2.371 -2.414 -6.800 1.00 0.00 H new ATOM 0 HD11 ILE A 343 2.670 -0.665 -2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 343 1.249 0.061 -3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 343 1.603 -1.669 -3.855 1.00 0.00 H new ATOM 807 N THR A 344 1.182 0.766 -9.104 1.00 0.00 N ATOM 808 CA THR A 344 0.479 0.617 -10.367 1.00 0.00 C ATOM 809 C THR A 344 1.450 0.770 -11.539 1.00 0.00 C ATOM 810 O THR A 344 1.246 0.182 -12.600 1.00 0.00 O ATOM 811 CB THR A 344 -0.668 1.630 -10.392 1.00 0.00 C ATOM 812 OG1 THR A 344 -1.685 1.023 -9.600 1.00 0.00 O ATOM 813 CG2 THR A 344 -1.303 1.761 -11.777 1.00 0.00 C ATOM 0 H THR A 344 0.845 1.528 -8.516 1.00 0.00 H new ATOM 0 HA THR A 344 0.053 -0.381 -10.467 1.00 0.00 H new ATOM 0 HB THR A 344 -0.299 2.603 -10.068 1.00 0.00 H new ATOM 0 HG1 THR A 344 -1.558 1.269 -8.660 1.00 0.00 H new ATOM 0 HG21 THR A 344 -2.111 2.492 -11.739 1.00 0.00 H new ATOM 0 HG22 THR A 344 -0.550 2.089 -12.493 1.00 0.00 H new ATOM 0 HG23 THR A 344 -1.702 0.795 -12.087 1.00 0.00 H new ATOM 821 N GLU A 345 2.486 1.563 -11.308 1.00 0.00 N ATOM 822 CA GLU A 345 3.490 1.801 -12.332 1.00 0.00 C ATOM 823 C GLU A 345 4.622 0.779 -12.212 1.00 0.00 C ATOM 824 O GLU A 345 5.487 0.701 -13.083 1.00 0.00 O ATOM 825 CB GLU A 345 4.029 3.230 -12.249 1.00 0.00 C ATOM 826 CG GLU A 345 3.003 4.235 -12.776 1.00 0.00 C ATOM 827 CD GLU A 345 3.629 5.164 -13.817 1.00 0.00 C ATOM 828 OE1 GLU A 345 3.977 4.649 -14.902 1.00 0.00 O ATOM 829 OE2 GLU A 345 3.747 6.369 -13.506 1.00 0.00 O ATOM 0 H GLU A 345 2.652 2.049 -10.427 1.00 0.00 H new ATOM 0 HA GLU A 345 3.021 1.681 -13.309 1.00 0.00 H new ATOM 0 HB2 GLU A 345 4.279 3.469 -11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 345 4.950 3.309 -12.826 1.00 0.00 H new ATOM 0 HG2 GLU A 345 2.161 3.702 -13.218 1.00 0.00 H new ATOM 0 HG3 GLU A 345 2.608 4.824 -11.949 1.00 0.00 H new ATOM 836 N GLY A 346 4.581 0.022 -11.125 1.00 0.00 N ATOM 837 CA GLY A 346 5.593 -0.991 -10.880 1.00 0.00 C ATOM 838 C GLY A 346 6.765 -0.414 -10.085 1.00 0.00 C ATOM 839 O GLY A 346 7.459 -1.143 -9.378 1.00 0.00 O ATOM 0 H GLY A 346 3.863 0.090 -10.404 1.00 0.00 H new ATOM 0 HA2 GLY A 346 5.153 -1.825 -10.333 1.00 0.00 H new ATOM 0 HA3 GLY A 346 5.953 -1.387 -11.829 1.00 0.00 H new ATOM 843 N ARG A 347 6.950 0.890 -10.226 1.00 0.00 N ATOM 844 CA ARG A 347 8.026 1.574 -9.530 1.00 0.00 C ATOM 845 C ARG A 347 8.187 1.009 -8.117 1.00 0.00 C ATOM 846 O ARG A 347 9.301 0.926 -7.601 1.00 0.00 O ATOM 847 CB ARG A 347 7.758 3.078 -9.442 1.00 0.00 C ATOM 848 CG ARG A 347 7.820 3.727 -10.827 1.00 0.00 C ATOM 849 CD ARG A 347 7.930 5.249 -10.714 1.00 0.00 C ATOM 850 NE ARG A 347 7.113 5.894 -11.766 1.00 0.00 N ATOM 851 CZ ARG A 347 7.129 7.208 -12.029 1.00 0.00 C ATOM 852 NH1 ARG A 347 7.921 8.024 -11.320 1.00 0.00 N ATOM 853 NH2 ARG A 347 6.354 7.706 -13.002 1.00 0.00 N ATOM 0 H ARG A 347 6.372 1.492 -10.813 1.00 0.00 H new ATOM 0 HA ARG A 347 8.943 1.413 -10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 347 6.777 3.251 -8.999 1.00 0.00 H new ATOM 0 HB3 ARG A 347 8.492 3.544 -8.785 1.00 0.00 H new ATOM 0 HG2 ARG A 347 8.676 3.337 -11.378 1.00 0.00 H new ATOM 0 HG3 ARG A 347 6.928 3.464 -11.396 1.00 0.00 H new ATOM 0 HD2 ARG A 347 7.593 5.574 -9.730 1.00 0.00 H new ATOM 0 HD3 ARG A 347 8.972 5.555 -10.812 1.00 0.00 H new ATOM 0 HE ARG A 347 6.500 5.302 -12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 347 8.512 7.645 -10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 347 7.933 9.024 -11.520 1.00 0.00 H new ATOM 0 HH21 ARG A 347 5.752 7.085 -13.543 1.00 0.00 H new ATOM 0 HH22 ARG A 347 6.366 8.706 -13.202 1.00 0.00 H new ATOM 867 N MET A 348 7.059 0.635 -7.532 1.00 0.00 N ATOM 868 CA MET A 348 7.061 0.080 -6.189 1.00 0.00 C ATOM 869 C MET A 348 6.411 -1.305 -6.167 1.00 0.00 C ATOM 870 O MET A 348 5.473 -1.567 -6.918 1.00 0.00 O ATOM 871 CB MET A 348 6.299 1.016 -5.248 1.00 0.00 C ATOM 872 CG MET A 348 6.591 0.679 -3.785 1.00 0.00 C ATOM 873 SD MET A 348 5.877 1.920 -2.718 1.00 0.00 S ATOM 874 CE MET A 348 4.174 1.384 -2.716 1.00 0.00 C ATOM 0 H MET A 348 6.137 0.705 -7.963 1.00 0.00 H new ATOM 0 HA MET A 348 8.095 -0.019 -5.859 1.00 0.00 H new ATOM 0 HB2 MET A 348 6.581 2.049 -5.450 1.00 0.00 H new ATOM 0 HB3 MET A 348 5.229 0.935 -5.437 1.00 0.00 H new ATOM 0 HG2 MET A 348 6.182 -0.301 -3.541 1.00 0.00 H new ATOM 0 HG3 MET A 348 7.668 0.625 -3.624 1.00 0.00 H new ATOM 0 HE1 MET A 348 3.709 1.653 -1.767 1.00 0.00 H new ATOM 0 HE2 MET A 348 3.639 1.869 -3.533 1.00 0.00 H new ATOM 0 HE3 MET A 348 4.133 0.303 -2.847 1.00 0.00 H new ATOM 884 N ASN A 349 6.936 -2.156 -5.297 1.00 0.00 N ATOM 885 CA ASN A 349 6.419 -3.508 -5.168 1.00 0.00 C ATOM 886 C ASN A 349 5.620 -3.621 -3.868 1.00 0.00 C ATOM 887 O ASN A 349 6.081 -3.192 -2.812 1.00 0.00 O ATOM 888 CB ASN A 349 7.557 -4.530 -5.114 1.00 0.00 C ATOM 889 CG ASN A 349 7.288 -5.700 -6.062 1.00 0.00 C ATOM 890 OD1 ASN A 349 6.159 -6.008 -6.405 1.00 0.00 O ATOM 891 ND2 ASN A 349 8.386 -6.333 -6.464 1.00 0.00 N ATOM 0 H ASN A 349 7.714 -1.935 -4.675 1.00 0.00 H new ATOM 0 HA ASN A 349 5.791 -3.713 -6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 349 8.497 -4.048 -5.383 1.00 0.00 H new ATOM 0 HB3 ASN A 349 7.669 -4.901 -4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 349 8.313 -7.129 -7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 349 9.302 -6.023 -6.138 1.00 0.00 H new ATOM 898 N GLY A 350 4.435 -4.201 -3.989 1.00 0.00 N ATOM 899 CA GLY A 350 3.567 -4.376 -2.837 1.00 0.00 C ATOM 900 C GLY A 350 2.114 -4.050 -3.190 1.00 0.00 C ATOM 901 O GLY A 350 1.797 -3.792 -4.350 1.00 0.00 O ATOM 0 H GLY A 350 4.056 -4.556 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 350 3.636 -5.403 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 350 3.901 -3.731 -2.024 1.00 0.00 H new ATOM 905 N PHE A 351 1.271 -4.072 -2.169 1.00 0.00 N ATOM 906 CA PHE A 351 -0.141 -3.782 -2.357 1.00 0.00 C ATOM 907 C PHE A 351 -0.698 -2.984 -1.177 1.00 0.00 C ATOM 908 O PHE A 351 -0.201 -3.095 -0.057 1.00 0.00 O ATOM 909 CB PHE A 351 -0.867 -5.126 -2.437 1.00 0.00 C ATOM 910 CG PHE A 351 -0.982 -5.852 -1.095 1.00 0.00 C ATOM 911 CD1 PHE A 351 -1.908 -5.451 -0.182 1.00 0.00 C ATOM 912 CD2 PHE A 351 -0.160 -6.898 -0.814 1.00 0.00 C ATOM 913 CE1 PHE A 351 -2.015 -6.124 1.063 1.00 0.00 C ATOM 914 CE2 PHE A 351 -0.267 -7.571 0.431 1.00 0.00 C ATOM 915 CZ PHE A 351 -1.192 -7.170 1.344 1.00 0.00 C ATOM 0 H PHE A 351 1.538 -4.286 -1.208 1.00 0.00 H new ATOM 0 HA PHE A 351 -0.282 -3.189 -3.261 1.00 0.00 H new ATOM 0 HB2 PHE A 351 -1.868 -4.964 -2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 351 -0.342 -5.770 -3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 351 -2.562 -4.621 -0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 351 0.575 -7.217 -1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 351 -2.750 -5.806 1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 351 0.386 -8.402 0.653 1.00 0.00 H new ATOM 0 HZ PHE A 351 -1.273 -7.682 2.292 1.00 0.00 H new ATOM 925 N ILE A 352 -1.724 -2.197 -1.468 1.00 0.00 N ATOM 926 CA ILE A 352 -2.354 -1.380 -0.445 1.00 0.00 C ATOM 927 C ILE A 352 -3.553 -2.133 0.136 1.00 0.00 C ATOM 928 O ILE A 352 -4.467 -2.510 -0.596 1.00 0.00 O ATOM 929 CB ILE A 352 -2.707 0.000 -1.003 1.00 0.00 C ATOM 930 CG1 ILE A 352 -1.443 0.806 -1.310 1.00 0.00 C ATOM 931 CG2 ILE A 352 -3.649 0.749 -0.059 1.00 0.00 C ATOM 932 CD1 ILE A 352 -1.794 2.227 -1.756 1.00 0.00 C ATOM 0 H ILE A 352 -2.134 -2.108 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 352 -1.662 -1.198 0.377 1.00 0.00 H new ATOM 0 HB ILE A 352 -3.238 -0.138 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 352 -0.808 0.845 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 352 -0.870 0.307 -2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 352 -3.884 1.727 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 352 -4.569 0.177 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 352 -3.167 0.877 0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 352 -0.878 2.779 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 352 -2.408 2.185 -2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 352 -2.346 2.731 -0.963 1.00 0.00 H new ATOM 944 N ASP A 353 -3.509 -2.330 1.445 1.00 0.00 N ATOM 945 CA ASP A 353 -4.581 -3.031 2.132 1.00 0.00 C ATOM 946 C ASP A 353 -5.705 -2.045 2.455 1.00 0.00 C ATOM 947 O ASP A 353 -5.545 -1.173 3.307 1.00 0.00 O ATOM 948 CB ASP A 353 -4.088 -3.634 3.449 1.00 0.00 C ATOM 949 CG ASP A 353 -5.152 -4.380 4.257 1.00 0.00 C ATOM 950 OD1 ASP A 353 -6.259 -4.563 3.705 1.00 0.00 O ATOM 951 OD2 ASP A 353 -4.835 -4.749 5.409 1.00 0.00 O ATOM 0 H ASP A 353 -2.748 -2.017 2.048 1.00 0.00 H new ATOM 0 HA ASP A 353 -4.935 -3.829 1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 353 -3.270 -4.321 3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 353 -3.679 -2.835 4.067 1.00 0.00 H new ATOM 956 N GLN A 354 -6.818 -2.217 1.757 1.00 0.00 N ATOM 957 CA GLN A 354 -7.969 -1.353 1.958 1.00 0.00 C ATOM 958 C GLN A 354 -8.805 -1.850 3.139 1.00 0.00 C ATOM 959 O GLN A 354 -9.600 -1.099 3.701 1.00 0.00 O ATOM 960 CB GLN A 354 -8.815 -1.262 0.687 1.00 0.00 C ATOM 961 CG GLN A 354 -8.144 -0.363 -0.354 1.00 0.00 C ATOM 962 CD GLN A 354 -7.674 -1.177 -1.561 1.00 0.00 C ATOM 963 OE1 GLN A 354 -6.741 -1.960 -1.488 1.00 0.00 O ATOM 964 NE2 GLN A 354 -8.369 -0.950 -2.672 1.00 0.00 N ATOM 0 H GLN A 354 -6.947 -2.942 1.051 1.00 0.00 H new ATOM 0 HA GLN A 354 -7.610 -0.350 2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -8.962 -2.259 0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -9.802 -0.869 0.930 1.00 0.00 H new ATOM 0 HG2 GLN A 354 -8.844 0.406 -0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -7.294 0.149 0.097 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -9.139 -0.281 -2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -8.132 -1.445 -3.532 1.00 0.00 H new ATOM 973 N ILE A 355 -8.598 -3.114 3.479 1.00 0.00 N ATOM 974 CA ILE A 355 -9.323 -3.720 4.583 1.00 0.00 C ATOM 975 C ILE A 355 -8.910 -3.044 5.892 1.00 0.00 C ATOM 976 O ILE A 355 -9.750 -2.782 6.751 1.00 0.00 O ATOM 977 CB ILE A 355 -9.125 -5.237 4.585 1.00 0.00 C ATOM 978 CG1 ILE A 355 -9.472 -5.838 3.221 1.00 0.00 C ATOM 979 CG2 ILE A 355 -9.917 -5.892 5.718 1.00 0.00 C ATOM 980 CD1 ILE A 355 -10.988 -5.922 3.029 1.00 0.00 C ATOM 0 H ILE A 355 -7.939 -3.735 3.010 1.00 0.00 H new ATOM 0 HA ILE A 355 -10.395 -3.562 4.467 1.00 0.00 H new ATOM 0 HB ILE A 355 -8.070 -5.443 4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 355 -9.035 -5.229 2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 355 -9.035 -6.833 3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 355 -9.759 -6.970 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 355 -9.579 -5.495 6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 355 -10.978 -5.679 5.591 1.00 0.00 H new ATOM 0 HD11 ILE A 355 -11.208 -6.352 2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 355 -11.419 -6.551 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 355 -11.418 -4.922 3.090 1.00 0.00 H new ATOM 992 N ASP A 356 -7.616 -2.782 6.002 1.00 0.00 N ATOM 993 CA ASP A 356 -7.081 -2.142 7.192 1.00 0.00 C ATOM 994 C ASP A 356 -6.670 -0.707 6.853 1.00 0.00 C ATOM 995 O ASP A 356 -6.452 0.108 7.748 1.00 0.00 O ATOM 996 CB ASP A 356 -5.842 -2.879 7.704 1.00 0.00 C ATOM 997 CG ASP A 356 -6.123 -4.222 8.382 1.00 0.00 C ATOM 998 OD1 ASP A 356 -6.868 -4.207 9.385 1.00 0.00 O ATOM 999 OD2 ASP A 356 -5.587 -5.234 7.880 1.00 0.00 O ATOM 0 H ASP A 356 -6.922 -3.001 5.287 1.00 0.00 H new ATOM 0 HA ASP A 356 -7.854 -2.159 7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 356 -5.165 -3.047 6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 356 -5.320 -2.234 8.411 1.00 0.00 H new ATOM 1004 N GLY A 357 -6.578 -0.442 5.558 1.00 0.00 N ATOM 1005 CA GLY A 357 -6.197 0.880 5.090 1.00 0.00 C ATOM 1006 C GLY A 357 -4.730 1.173 5.408 1.00 0.00 C ATOM 1007 O GLY A 357 -4.367 2.315 5.687 1.00 0.00 O ATOM 0 H GLY A 357 -6.761 -1.120 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -6.361 0.950 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -6.832 1.632 5.559 1.00 0.00 H new ATOM 1011 N ILE A 358 -3.925 0.122 5.356 1.00 0.00 N ATOM 1012 CA ILE A 358 -2.505 0.252 5.636 1.00 0.00 C ATOM 1013 C ILE A 358 -1.706 -0.144 4.392 1.00 0.00 C ATOM 1014 O ILE A 358 -2.134 -1.004 3.623 1.00 0.00 O ATOM 1015 CB ILE A 358 -2.130 -0.545 6.887 1.00 0.00 C ATOM 1016 CG1 ILE A 358 -3.034 -0.174 8.064 1.00 0.00 C ATOM 1017 CG2 ILE A 358 -0.648 -0.369 7.224 1.00 0.00 C ATOM 1018 CD1 ILE A 358 -2.916 -1.203 9.191 1.00 0.00 C ATOM 0 H ILE A 358 -4.229 -0.824 5.124 1.00 0.00 H new ATOM 0 HA ILE A 358 -2.254 1.289 5.860 1.00 0.00 H new ATOM 0 HB ILE A 358 -2.290 -1.603 6.680 1.00 0.00 H new ATOM 0 HG12 ILE A 358 -2.763 0.813 8.438 1.00 0.00 H new ATOM 0 HG13 ILE A 358 -4.069 -0.115 7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 358 -0.407 -0.946 8.117 1.00 0.00 H new ATOM 0 HG22 ILE A 358 -0.041 -0.721 6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 358 -0.439 0.685 7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 358 -3.569 -0.916 10.016 1.00 0.00 H new ATOM 0 HD12 ILE A 358 -3.211 -2.185 8.820 1.00 0.00 H new ATOM 0 HD13 ILE A 358 -1.885 -1.242 9.541 1.00 0.00 H new ATOM 1030 N VAL A 359 -0.561 0.502 4.233 1.00 0.00 N ATOM 1031 CA VAL A 359 0.301 0.228 3.096 1.00 0.00 C ATOM 1032 C VAL A 359 1.247 -0.923 3.444 1.00 0.00 C ATOM 1033 O VAL A 359 1.755 -0.997 4.562 1.00 0.00 O ATOM 1034 CB VAL A 359 1.039 1.502 2.679 1.00 0.00 C ATOM 1035 CG1 VAL A 359 2.182 1.183 1.714 1.00 0.00 C ATOM 1036 CG2 VAL A 359 0.073 2.519 2.068 1.00 0.00 C ATOM 0 H VAL A 359 -0.210 1.215 4.873 1.00 0.00 H new ATOM 0 HA VAL A 359 -0.291 -0.086 2.236 1.00 0.00 H new ATOM 0 HB VAL A 359 1.472 1.947 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 359 2.690 2.106 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 359 2.891 0.512 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 359 1.781 0.704 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 359 0.622 3.415 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 359 -0.402 2.086 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 359 -0.691 2.781 2.800 1.00 0.00 H new ATOM 1046 N HIS A 360 1.456 -1.792 2.466 1.00 0.00 N ATOM 1047 CA HIS A 360 2.332 -2.936 2.656 1.00 0.00 C ATOM 1048 C HIS A 360 3.580 -2.775 1.786 1.00 0.00 C ATOM 1049 O HIS A 360 3.502 -2.849 0.561 1.00 0.00 O ATOM 1050 CB HIS A 360 1.585 -4.243 2.384 1.00 0.00 C ATOM 1051 CG HIS A 360 1.210 -5.007 3.632 1.00 0.00 C ATOM 1052 ND1 HIS A 360 1.903 -6.125 4.063 1.00 0.00 N ATOM 1053 CD2 HIS A 360 0.210 -4.801 4.536 1.00 0.00 C ATOM 1054 CE1 HIS A 360 1.336 -6.565 5.177 1.00 0.00 C ATOM 1055 NE2 HIS A 360 0.287 -5.743 5.468 1.00 0.00 N ATOM 0 H HIS A 360 1.034 -1.727 1.540 1.00 0.00 H new ATOM 0 HA HIS A 360 2.658 -2.981 3.695 1.00 0.00 H new ATOM 0 HB2 HIS A 360 0.679 -4.021 1.820 1.00 0.00 H new ATOM 0 HB3 HIS A 360 2.205 -4.880 1.753 1.00 0.00 H new ATOM 0 HD2 HIS A 360 -0.521 -4.006 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 360 1.649 -7.423 5.753 1.00 0.00 H new ATOM 0 HE2 HIS A 360 -0.336 -5.837 6.270 1.00 0.00 H new ATOM 1063 N PHE A 361 4.704 -2.558 2.455 1.00 0.00 N ATOM 1064 CA PHE A 361 5.967 -2.387 1.758 1.00 0.00 C ATOM 1065 C PHE A 361 6.780 -3.683 1.770 1.00 0.00 C ATOM 1066 O PHE A 361 6.727 -4.445 2.734 1.00 0.00 O ATOM 1067 CB PHE A 361 6.747 -1.304 2.507 1.00 0.00 C ATOM 1068 CG PHE A 361 6.209 0.112 2.290 1.00 0.00 C ATOM 1069 CD1 PHE A 361 5.806 0.505 1.052 1.00 0.00 C ATOM 1070 CD2 PHE A 361 6.133 0.978 3.336 1.00 0.00 C ATOM 1071 CE1 PHE A 361 5.306 1.819 0.851 1.00 0.00 C ATOM 1072 CE2 PHE A 361 5.634 2.292 3.135 1.00 0.00 C ATOM 1073 CZ PHE A 361 5.231 2.685 1.897 1.00 0.00 C ATOM 0 H PHE A 361 4.766 -2.497 3.471 1.00 0.00 H new ATOM 0 HA PHE A 361 5.784 -2.113 0.719 1.00 0.00 H new ATOM 0 HB2 PHE A 361 6.729 -1.529 3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 361 7.790 -1.338 2.192 1.00 0.00 H new ATOM 0 HD1 PHE A 361 5.866 -0.183 0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 361 6.452 0.666 4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 361 4.985 2.130 -0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 361 5.574 2.980 3.966 1.00 0.00 H new ATOM 0 HZ PHE A 361 4.851 3.685 1.745 1.00 0.00 H new ATOM 1083 N GLU A 362 7.514 -3.893 0.687 1.00 0.00 N ATOM 1084 CA GLU A 362 8.337 -5.084 0.560 1.00 0.00 C ATOM 1085 C GLU A 362 9.643 -4.912 1.338 1.00 0.00 C ATOM 1086 O GLU A 362 10.303 -3.880 1.229 1.00 0.00 O ATOM 1087 CB GLU A 362 8.612 -5.406 -0.910 1.00 0.00 C ATOM 1088 CG GLU A 362 9.534 -4.359 -1.538 1.00 0.00 C ATOM 1089 CD GLU A 362 9.914 -4.748 -2.968 1.00 0.00 C ATOM 1090 OE1 GLU A 362 9.997 -5.970 -3.220 1.00 0.00 O ATOM 1091 OE2 GLU A 362 10.112 -3.816 -3.776 1.00 0.00 O ATOM 0 H GLU A 362 7.556 -3.259 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 362 7.792 -5.926 0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 362 9.068 -6.393 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 362 7.672 -5.444 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 362 9.038 -3.388 -1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 362 10.435 -4.255 -0.934 1.00 0.00 H new