USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 287 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 306 GLN : amide:sc= -5.41! C(o=-8.2!,f=-12!) USER MOD Set 1.2: A 323 ASN : amide:sc= -2.78! C(o=-8.2!,f=-14!) USER MOD Single : A 293 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 294 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 307 TYR OH : rot 150:sc= 0 USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot 108:sc= 0.736 USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 329 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.217) USER MOD Single : A 334 GLN : amide:sc= -3.91! C(o=-3.9!,f=-4.4!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.38) USER MOD Single : A 339 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.841 1.994 -1.042 1.00 0.00 N ATOM 134 CA PRO A 287 10.168 0.841 -0.394 1.00 0.00 C ATOM 135 C PRO A 287 10.388 -0.434 -1.215 1.00 0.00 C ATOM 136 O PRO A 287 10.292 -0.427 -2.426 1.00 0.00 O ATOM 137 CB PRO A 287 8.695 1.238 -0.407 1.00 0.00 C ATOM 138 CG PRO A 287 8.568 2.201 -1.542 1.00 0.00 C ATOM 139 CD PRO A 287 9.884 2.920 -1.654 1.00 0.00 C ATOM 0 HA PRO A 287 10.544 0.632 0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 287 8.053 0.369 -0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.401 1.698 0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.334 1.677 -2.469 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.757 2.906 -1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.138 3.129 -2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.863 3.877 -1.132 1.00 0.00 H new ATOM 147 N GLU A 288 10.676 -1.529 -0.566 1.00 0.00 N ATOM 148 CA GLU A 288 10.894 -2.801 -1.316 1.00 0.00 C ATOM 149 C GLU A 288 9.547 -3.380 -1.758 1.00 0.00 C ATOM 150 O GLU A 288 9.366 -3.758 -2.898 1.00 0.00 O ATOM 151 CB GLU A 288 11.582 -3.736 -0.321 1.00 0.00 C ATOM 152 CG GLU A 288 11.888 -5.072 -1.001 1.00 0.00 C ATOM 153 CD GLU A 288 13.404 -5.262 -1.092 1.00 0.00 C ATOM 154 OE1 GLU A 288 13.984 -4.786 -2.054 1.00 0.00 O ATOM 155 OE2 GLU A 288 13.959 -5.880 -0.199 1.00 0.00 O ATOM 0 H GLU A 288 10.770 -1.599 0.447 1.00 0.00 H new ATOM 0 HA GLU A 288 11.493 -2.658 -2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.504 -3.282 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 288 10.941 -3.896 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 288 11.441 -5.890 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 288 11.447 -5.094 -1.998 1.00 0.00 H new ATOM 162 N ARG A 289 8.601 -3.448 -0.862 1.00 0.00 N ATOM 163 CA ARG A 289 7.261 -3.996 -1.222 1.00 0.00 C ATOM 164 C ARG A 289 6.325 -3.923 -0.014 1.00 0.00 C ATOM 165 O ARG A 289 6.722 -3.524 1.065 1.00 0.00 O ATOM 166 CB ARG A 289 7.507 -5.452 -1.637 1.00 0.00 C ATOM 167 CG ARG A 289 8.539 -6.103 -0.709 1.00 0.00 C ATOM 168 CD ARG A 289 7.910 -6.356 0.662 1.00 0.00 C ATOM 169 NE ARG A 289 6.657 -7.108 0.373 1.00 0.00 N ATOM 170 CZ ARG A 289 6.717 -8.373 0.054 1.00 0.00 C ATOM 171 NH1 ARG A 289 7.139 -8.730 -1.129 1.00 0.00 N ATOM 172 NH2 ARG A 289 6.351 -9.282 0.916 1.00 0.00 N ATOM 0 H ARG A 289 8.698 -3.147 0.108 1.00 0.00 H new ATOM 0 HA ARG A 289 6.789 -3.431 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.572 -6.011 -1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 289 7.860 -5.489 -2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 289 8.888 -7.042 -1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 289 9.410 -5.456 -0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 289 8.578 -6.931 1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 289 7.699 -5.420 1.179 1.00 0.00 H new ATOM 0 HE ARG A 289 5.754 -6.636 0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 289 7.422 -8.021 -1.805 1.00 0.00 H new ATOM 0 HH12 ARG A 289 7.185 -9.718 -1.377 1.00 0.00 H new ATOM 0 HH21 ARG A 289 6.018 -9.005 1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 289 6.398 -10.270 0.666 1.00 0.00 H new ATOM 186 N ILE A 290 5.086 -4.298 -0.182 1.00 0.00 N ATOM 187 CA ILE A 290 4.134 -4.240 0.964 1.00 0.00 C ATOM 188 C ILE A 290 4.116 -5.573 1.712 1.00 0.00 C ATOM 189 O ILE A 290 4.353 -6.621 1.144 1.00 0.00 O ATOM 190 CB ILE A 290 2.755 -3.972 0.355 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.870 -2.978 -0.805 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.839 -3.385 1.431 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.514 -1.688 -0.308 1.00 0.00 C ATOM 0 H ILE A 290 4.693 -4.640 -1.059 1.00 0.00 H new ATOM 0 HA ILE A 290 4.422 -3.466 1.676 1.00 0.00 H new ATOM 0 HB ILE A 290 2.343 -4.909 -0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.467 -3.409 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.883 -2.769 -1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.855 -3.191 1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.745 -4.093 2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.264 -2.452 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.596 -0.981 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.899 -1.255 0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.508 -1.905 0.084 1.00 0.00 H new ATOM 205 N ILE A 291 3.820 -5.540 2.979 1.00 0.00 N ATOM 206 CA ILE A 291 3.765 -6.804 3.770 1.00 0.00 C ATOM 207 C ILE A 291 2.365 -6.974 4.353 1.00 0.00 C ATOM 208 O ILE A 291 1.853 -8.071 4.466 1.00 0.00 O ATOM 209 CB ILE A 291 4.804 -6.673 4.898 1.00 0.00 C ATOM 210 CG1 ILE A 291 5.311 -5.228 5.020 1.00 0.00 C ATOM 211 CG2 ILE A 291 5.981 -7.597 4.593 1.00 0.00 C ATOM 212 CD1 ILE A 291 6.490 -5.175 5.995 1.00 0.00 C ATOM 0 H ILE A 291 3.613 -4.691 3.505 1.00 0.00 H new ATOM 0 HA ILE A 291 3.983 -7.674 3.150 1.00 0.00 H new ATOM 0 HB ILE A 291 4.333 -6.950 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 291 5.618 -4.857 4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 291 4.508 -4.579 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.724 -7.513 5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.629 -8.627 4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.431 -7.312 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.847 -4.149 6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 291 6.168 -5.529 6.975 1.00 0.00 H new ATOM 0 HD13 ILE A 291 7.296 -5.810 5.627 1.00 0.00 H new ATOM 224 N ASP A 292 1.739 -5.891 4.713 1.00 0.00 N ATOM 225 CA ASP A 292 0.365 -5.973 5.279 1.00 0.00 C ATOM 226 C ASP A 292 -0.331 -4.616 5.155 1.00 0.00 C ATOM 227 O ASP A 292 0.296 -3.614 4.874 1.00 0.00 O ATOM 228 CB ASP A 292 0.555 -6.352 6.747 1.00 0.00 C ATOM 229 CG ASP A 292 -0.767 -6.871 7.313 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.635 -6.055 7.580 1.00 0.00 O ATOM 231 OD2 ASP A 292 -0.892 -8.074 7.468 1.00 0.00 O ATOM 0 H ASP A 292 2.121 -4.948 4.640 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.256 -6.700 4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.328 -7.115 6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 292 0.892 -5.486 7.317 1.00 0.00 H new ATOM 236 N SER A 293 -1.619 -4.571 5.358 1.00 0.00 N ATOM 237 CA SER A 293 -2.340 -3.270 5.246 1.00 0.00 C ATOM 238 C SER A 293 -3.083 -2.948 6.547 1.00 0.00 C ATOM 239 O SER A 293 -3.494 -3.828 7.275 1.00 0.00 O ATOM 240 CB SER A 293 -3.328 -3.463 4.098 1.00 0.00 C ATOM 241 OG SER A 293 -3.707 -4.831 4.029 1.00 0.00 O ATOM 0 H SER A 293 -2.202 -5.374 5.595 1.00 0.00 H new ATOM 0 HA SER A 293 -1.657 -2.440 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.207 -2.837 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.875 -3.151 3.157 1.00 0.00 H new ATOM 0 HG SER A 293 -4.342 -4.958 3.294 1.00 0.00 H new ATOM 247 N GLN A 294 -3.257 -1.686 6.841 1.00 0.00 N ATOM 248 CA GLN A 294 -3.973 -1.296 8.091 1.00 0.00 C ATOM 249 C GLN A 294 -4.995 -0.196 7.792 1.00 0.00 C ATOM 250 O GLN A 294 -4.701 0.979 7.888 1.00 0.00 O ATOM 251 CB GLN A 294 -2.884 -0.772 9.027 1.00 0.00 C ATOM 252 CG GLN A 294 -3.321 -0.967 10.480 1.00 0.00 C ATOM 253 CD GLN A 294 -2.132 -1.456 11.311 1.00 0.00 C ATOM 254 OE1 GLN A 294 -1.740 -2.601 11.215 1.00 0.00 O ATOM 255 NE2 GLN A 294 -1.539 -0.628 12.127 1.00 0.00 N ATOM 0 H GLN A 294 -2.933 -0.907 6.268 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.520 -2.130 8.530 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -1.948 -1.300 8.844 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.698 0.284 8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -3.700 -0.029 10.886 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -4.136 -1.689 10.532 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -1.869 0.334 12.207 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -0.745 -0.943 12.685 1.00 0.00 H new ATOM 404 N LEU A 305 -6.147 4.872 5.658 1.00 0.00 N ATOM 405 CA LEU A 305 -5.582 3.580 5.179 1.00 0.00 C ATOM 406 C LEU A 305 -4.055 3.609 5.276 1.00 0.00 C ATOM 407 O LEU A 305 -3.423 4.606 4.988 1.00 0.00 O ATOM 408 CB LEU A 305 -6.025 3.473 3.720 1.00 0.00 C ATOM 409 CG LEU A 305 -5.203 2.394 3.018 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.372 1.064 3.750 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.681 2.246 1.572 1.00 0.00 C ATOM 0 HA LEU A 305 -5.924 2.731 5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.086 3.229 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.893 4.431 3.217 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.151 2.680 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -4.785 0.295 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.028 1.169 4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -6.424 0.778 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.094 1.476 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.733 1.963 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.557 3.194 1.049 1.00 0.00 H new ATOM 423 N GLN A 306 -3.457 2.522 5.680 1.00 0.00 N ATOM 424 CA GLN A 306 -1.971 2.488 5.795 1.00 0.00 C ATOM 425 C GLN A 306 -1.432 1.138 5.316 1.00 0.00 C ATOM 426 O GLN A 306 -1.993 0.100 5.602 1.00 0.00 O ATOM 427 CB GLN A 306 -1.684 2.680 7.284 1.00 0.00 C ATOM 428 CG GLN A 306 -1.744 4.168 7.629 1.00 0.00 C ATOM 429 CD GLN A 306 -0.325 4.702 7.837 1.00 0.00 C ATOM 430 OE1 GLN A 306 0.632 3.954 7.789 1.00 0.00 O ATOM 431 NE2 GLN A 306 -0.148 5.974 8.070 1.00 0.00 N ATOM 0 H GLN A 306 -3.932 1.656 5.935 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.494 3.255 5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.412 2.129 7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.701 2.278 7.530 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -2.237 4.718 6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -2.337 4.319 8.531 1.00 0.00 H new ATOM 0 HE21 GLN A 306 -0.951 6.602 8.110 1.00 0.00 H new ATOM 0 HE22 GLN A 306 0.793 6.340 8.212 1.00 0.00 H new ATOM 440 N TYR A 307 -0.349 1.149 4.589 1.00 0.00 N ATOM 441 CA TYR A 307 0.233 -0.131 4.088 1.00 0.00 C ATOM 442 C TYR A 307 1.590 -0.390 4.751 1.00 0.00 C ATOM 443 O TYR A 307 2.439 0.476 4.804 1.00 0.00 O ATOM 444 CB TYR A 307 0.423 0.086 2.585 1.00 0.00 C ATOM 445 CG TYR A 307 -0.820 -0.324 1.826 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.035 -0.518 2.498 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.753 -0.509 0.439 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.178 -0.895 1.781 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.895 -0.886 -0.276 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.107 -1.080 0.395 1.00 0.00 C ATOM 451 OH TYR A 307 -4.234 -1.452 -0.310 1.00 0.00 O ATOM 0 H TYR A 307 0.160 1.991 4.319 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.406 -0.986 4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.646 1.135 2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.277 -0.493 2.234 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.090 -0.377 3.567 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.183 -0.360 -0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.115 -1.043 2.298 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.841 -1.027 -1.345 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.184 -1.092 -1.220 1.00 0.00 H new ATOM 461 N LEU A 308 1.809 -1.578 5.244 1.00 0.00 N ATOM 462 CA LEU A 308 3.122 -1.883 5.882 1.00 0.00 C ATOM 463 C LEU A 308 4.167 -2.138 4.791 1.00 0.00 C ATOM 464 O LEU A 308 3.971 -2.956 3.914 1.00 0.00 O ATOM 465 CB LEU A 308 2.880 -3.146 6.710 1.00 0.00 C ATOM 466 CG LEU A 308 4.113 -3.448 7.563 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.094 -2.577 8.820 1.00 0.00 C ATOM 468 CD2 LEU A 308 4.098 -4.920 7.972 1.00 0.00 C ATOM 0 H LEU A 308 1.140 -2.348 5.233 1.00 0.00 H new ATOM 0 HA LEU A 308 3.492 -1.067 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 308 2.008 -3.011 7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.666 -3.988 6.052 1.00 0.00 H new ATOM 0 HG LEU A 308 5.012 -3.235 6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 308 4.973 -2.794 9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.101 -1.525 8.534 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.194 -2.790 9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.976 -5.138 8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 308 3.197 -5.128 8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 308 4.111 -5.546 7.080 1.00 0.00 H new ATOM 480 N VAL A 309 5.264 -1.433 4.820 1.00 0.00 N ATOM 481 CA VAL A 309 6.298 -1.634 3.762 1.00 0.00 C ATOM 482 C VAL A 309 7.655 -1.986 4.376 1.00 0.00 C ATOM 483 O VAL A 309 7.943 -1.659 5.510 1.00 0.00 O ATOM 484 CB VAL A 309 6.383 -0.292 3.038 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.186 -0.461 1.748 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.973 0.202 2.701 1.00 0.00 C ATOM 0 H VAL A 309 5.490 -0.731 5.524 1.00 0.00 H new ATOM 0 HA VAL A 309 6.036 -2.456 3.095 1.00 0.00 H new ATOM 0 HB VAL A 309 6.876 0.436 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.248 0.496 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.191 -0.809 1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.693 -1.190 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 309 5.037 1.160 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.477 -0.525 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.400 0.323 3.621 1.00 0.00 H new ATOM 496 N LYS A 310 8.496 -2.640 3.621 1.00 0.00 N ATOM 497 CA LYS A 310 9.844 -3.006 4.138 1.00 0.00 C ATOM 498 C LYS A 310 10.910 -2.164 3.430 1.00 0.00 C ATOM 499 O LYS A 310 11.303 -2.449 2.317 1.00 0.00 O ATOM 500 CB LYS A 310 10.013 -4.489 3.802 1.00 0.00 C ATOM 501 CG LYS A 310 11.291 -5.021 4.454 1.00 0.00 C ATOM 502 CD LYS A 310 11.884 -6.131 3.584 1.00 0.00 C ATOM 503 CE LYS A 310 10.852 -7.248 3.405 1.00 0.00 C ATOM 504 NZ LYS A 310 11.437 -8.427 4.103 1.00 0.00 N ATOM 0 H LYS A 310 8.305 -2.937 2.664 1.00 0.00 H new ATOM 0 HA LYS A 310 9.947 -2.825 5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 310 9.150 -5.053 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 310 10.061 -4.624 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 310 12.013 -4.214 4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 310 11.071 -5.404 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 310 12.174 -5.730 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 310 12.787 -6.527 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 310 9.891 -6.970 3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 310 10.678 -7.460 2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 10.787 -9.235 4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 12.348 -8.672 3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 11.585 -8.198 5.107 1.00 0.00 H new ATOM 681 N THR A 320 7.949 -1.062 8.711 1.00 0.00 N ATOM 682 CA THR A 320 7.039 -0.194 9.511 1.00 0.00 C ATOM 683 C THR A 320 5.723 0.030 8.764 1.00 0.00 C ATOM 684 O THR A 320 5.423 -0.642 7.798 1.00 0.00 O ATOM 685 CB THR A 320 7.788 1.127 9.682 1.00 0.00 C ATOM 686 OG1 THR A 320 8.332 1.527 8.433 1.00 0.00 O ATOM 687 CG2 THR A 320 8.915 0.947 10.700 1.00 0.00 C ATOM 0 HA THR A 320 6.786 -0.644 10.471 1.00 0.00 H new ATOM 0 HB THR A 320 7.099 1.893 10.038 1.00 0.00 H new ATOM 0 HG1 THR A 320 7.824 2.289 8.084 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.449 1.889 10.822 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.494 0.642 11.658 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.606 0.181 10.347 1.00 0.00 H new ATOM 695 N TRP A 321 4.933 0.966 9.214 1.00 0.00 N ATOM 696 CA TRP A 321 3.629 1.228 8.540 1.00 0.00 C ATOM 697 C TRP A 321 3.615 2.615 7.895 1.00 0.00 C ATOM 698 O TRP A 321 4.111 3.577 8.448 1.00 0.00 O ATOM 699 CB TRP A 321 2.593 1.157 9.661 1.00 0.00 C ATOM 700 CG TRP A 321 2.138 -0.254 9.825 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.504 -1.073 10.837 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.247 -1.028 8.972 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.890 -2.300 10.662 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.106 -2.322 9.525 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.556 -0.736 7.784 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.304 -3.291 8.922 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.252 -1.708 7.175 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.377 -2.983 7.744 1.00 0.00 C ATOM 0 H TRP A 321 5.133 1.560 10.018 1.00 0.00 H new ATOM 0 HA TRP A 321 3.433 0.512 7.741 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.024 1.523 10.593 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.744 1.800 9.428 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.167 -0.812 11.649 1.00 0.00 H new ATOM 0 HE1 TRP A 321 2.002 -3.092 11.295 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.647 0.243 7.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.211 -4.272 9.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.780 -1.473 6.263 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -1.001 -3.727 7.270 1.00 0.00 H new ATOM 719 N GLU A 322 3.035 2.724 6.732 1.00 0.00 N ATOM 720 CA GLU A 322 2.965 4.043 6.044 1.00 0.00 C ATOM 721 C GLU A 322 1.627 4.166 5.312 1.00 0.00 C ATOM 722 O GLU A 322 1.013 3.177 4.966 1.00 0.00 O ATOM 723 CB GLU A 322 4.126 4.042 5.050 1.00 0.00 C ATOM 724 CG GLU A 322 5.380 4.602 5.724 1.00 0.00 C ATOM 725 CD GLU A 322 6.064 3.496 6.531 1.00 0.00 C ATOM 726 OE1 GLU A 322 5.693 2.347 6.353 1.00 0.00 O ATOM 727 OE2 GLU A 322 6.945 3.817 7.310 1.00 0.00 O ATOM 0 H GLU A 322 2.604 1.951 6.226 1.00 0.00 H new ATOM 0 HA GLU A 322 3.036 4.881 6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.313 3.028 4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.871 4.643 4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 322 6.065 4.995 4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 322 5.114 5.432 6.378 1.00 0.00 H new ATOM 734 N ASN A 323 1.167 5.360 5.070 1.00 0.00 N ATOM 735 CA ASN A 323 -0.130 5.518 4.361 1.00 0.00 C ATOM 736 C ASN A 323 -0.101 4.730 3.054 1.00 0.00 C ATOM 737 O ASN A 323 0.829 4.833 2.278 1.00 0.00 O ATOM 738 CB ASN A 323 -0.251 7.017 4.083 1.00 0.00 C ATOM 739 CG ASN A 323 -0.713 7.739 5.351 1.00 0.00 C ATOM 740 OD1 ASN A 323 -0.041 7.701 6.364 1.00 0.00 O ATOM 741 ND2 ASN A 323 -1.837 8.402 5.338 1.00 0.00 N ATOM 0 H ASN A 323 1.631 6.230 5.331 1.00 0.00 H new ATOM 0 HA ASN A 323 -0.973 5.147 4.943 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.709 7.415 3.755 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -0.961 7.191 3.274 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -2.152 8.888 6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -2.401 8.434 4.488 1.00 0.00 H new ATOM 748 N ALA A 324 -1.114 3.955 2.791 1.00 0.00 N ATOM 749 CA ALA A 324 -1.134 3.185 1.521 1.00 0.00 C ATOM 750 C ALA A 324 -1.193 4.172 0.363 1.00 0.00 C ATOM 751 O ALA A 324 -0.918 3.844 -0.773 1.00 0.00 O ATOM 752 CB ALA A 324 -2.403 2.335 1.575 1.00 0.00 C ATOM 0 H ALA A 324 -1.924 3.823 3.397 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.253 2.557 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.481 1.739 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.361 1.673 2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.273 2.986 1.658 1.00 0.00 H new ATOM 758 N THR A 325 -1.535 5.394 0.657 1.00 0.00 N ATOM 759 CA THR A 325 -1.603 6.429 -0.404 1.00 0.00 C ATOM 760 C THR A 325 -0.184 6.880 -0.751 1.00 0.00 C ATOM 761 O THR A 325 0.180 7.007 -1.903 1.00 0.00 O ATOM 762 CB THR A 325 -2.419 7.559 0.226 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.802 7.318 0.008 1.00 0.00 O ATOM 764 CG2 THR A 325 -2.033 8.900 -0.393 1.00 0.00 C ATOM 0 H THR A 325 -1.772 5.720 1.594 1.00 0.00 H new ATOM 0 HA THR A 325 -2.057 6.082 -1.332 1.00 0.00 H new ATOM 0 HB THR A 325 -2.213 7.592 1.296 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.328 8.040 0.412 1.00 0.00 H new ATOM 0 HG21 THR A 325 -2.622 9.695 0.065 1.00 0.00 H new ATOM 0 HG22 THR A 325 -0.973 9.088 -0.221 1.00 0.00 H new ATOM 0 HG23 THR A 325 -2.228 8.876 -1.465 1.00 0.00 H new ATOM 772 N ASP A 326 0.625 7.100 0.244 1.00 0.00 N ATOM 773 CA ASP A 326 2.028 7.516 -0.022 1.00 0.00 C ATOM 774 C ASP A 326 2.752 6.379 -0.735 1.00 0.00 C ATOM 775 O ASP A 326 3.351 6.561 -1.776 1.00 0.00 O ATOM 776 CB ASP A 326 2.640 7.760 1.356 1.00 0.00 C ATOM 777 CG ASP A 326 2.476 9.232 1.737 1.00 0.00 C ATOM 778 OD1 ASP A 326 1.964 9.982 0.921 1.00 0.00 O ATOM 779 OD2 ASP A 326 2.863 9.585 2.838 1.00 0.00 O ATOM 0 H ASP A 326 0.376 7.010 1.229 1.00 0.00 H new ATOM 0 HA ASP A 326 2.098 8.403 -0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 326 2.155 7.126 2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.696 7.491 1.349 1.00 0.00 H new ATOM 784 N ILE A 327 2.690 5.197 -0.184 1.00 0.00 N ATOM 785 CA ILE A 327 3.360 4.038 -0.832 1.00 0.00 C ATOM 786 C ILE A 327 2.772 3.824 -2.227 1.00 0.00 C ATOM 787 O ILE A 327 3.427 3.319 -3.112 1.00 0.00 O ATOM 788 CB ILE A 327 3.067 2.842 0.072 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.821 3.010 1.393 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.527 1.552 -0.613 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.303 3.259 1.103 1.00 0.00 C ATOM 0 H ILE A 327 2.204 4.986 0.687 1.00 0.00 H new ATOM 0 HA ILE A 327 4.433 4.188 -0.952 1.00 0.00 H new ATOM 0 HB ILE A 327 1.995 2.787 0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.405 3.843 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.704 2.117 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.316 0.701 0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.994 1.431 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.598 1.605 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.842 3.379 2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.714 2.411 0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.410 4.164 0.505 1.00 0.00 H new ATOM 803 N VAL A 328 1.548 4.224 -2.442 1.00 0.00 N ATOM 804 CA VAL A 328 0.957 4.060 -3.798 1.00 0.00 C ATOM 805 C VAL A 328 1.773 4.913 -4.768 1.00 0.00 C ATOM 806 O VAL A 328 2.152 4.480 -5.836 1.00 0.00 O ATOM 807 CB VAL A 328 -0.487 4.569 -3.677 1.00 0.00 C ATOM 808 CG1 VAL A 328 -0.966 5.137 -5.018 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.395 3.411 -3.270 1.00 0.00 C ATOM 0 H VAL A 328 0.939 4.652 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 328 0.966 3.033 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.523 5.357 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -1.991 5.494 -4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.321 5.965 -5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -0.927 4.357 -5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.422 3.767 -3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.346 2.627 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.067 3.011 -2.311 1.00 0.00 H new ATOM 819 N LYS A 329 2.070 6.120 -4.376 1.00 0.00 N ATOM 820 CA LYS A 329 2.890 7.013 -5.243 1.00 0.00 C ATOM 821 C LYS A 329 4.371 6.688 -5.039 1.00 0.00 C ATOM 822 O LYS A 329 5.126 6.552 -5.981 1.00 0.00 O ATOM 823 CB LYS A 329 2.576 8.433 -4.768 1.00 0.00 C ATOM 824 CG LYS A 329 1.229 8.877 -5.340 1.00 0.00 C ATOM 825 CD LYS A 329 0.316 9.335 -4.200 1.00 0.00 C ATOM 826 CE LYS A 329 0.947 10.536 -3.492 1.00 0.00 C ATOM 827 NZ LYS A 329 0.065 10.803 -2.320 1.00 0.00 N ATOM 0 H LYS A 329 1.779 6.529 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 329 2.670 6.892 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 329 2.549 8.466 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 329 3.362 9.117 -5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 329 1.374 9.689 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 329 0.764 8.055 -5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 329 -0.665 9.604 -4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 329 0.164 8.520 -3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 329 1.967 10.316 -3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 329 0.997 11.401 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 0.152 11.801 -2.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 -0.922 10.599 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 0.350 10.195 -1.526 1.00 0.00 H new ATOM 841 N LEU A 330 4.785 6.544 -3.807 1.00 0.00 N ATOM 842 CA LEU A 330 6.208 6.205 -3.529 1.00 0.00 C ATOM 843 C LEU A 330 6.521 4.836 -4.128 1.00 0.00 C ATOM 844 O LEU A 330 7.596 4.588 -4.636 1.00 0.00 O ATOM 845 CB LEU A 330 6.295 6.149 -2.006 1.00 0.00 C ATOM 846 CG LEU A 330 7.592 6.809 -1.539 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.403 8.326 -1.485 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.953 6.291 -0.144 1.00 0.00 C ATOM 0 H LEU A 330 4.196 6.647 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 330 6.912 6.921 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.438 6.657 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.261 5.113 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 330 8.394 6.568 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.328 8.796 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 330 7.145 8.696 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.601 8.568 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.878 6.761 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 330 7.151 6.533 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 330 8.088 5.210 -0.181 1.00 0.00 H new ATOM 860 N ALA A 331 5.567 3.953 -4.067 1.00 0.00 N ATOM 861 CA ALA A 331 5.750 2.585 -4.622 1.00 0.00 C ATOM 862 C ALA A 331 4.404 2.072 -5.139 1.00 0.00 C ATOM 863 O ALA A 331 3.754 1.273 -4.495 1.00 0.00 O ATOM 864 CB ALA A 331 6.232 1.739 -3.444 1.00 0.00 C ATOM 0 H ALA A 331 4.652 4.124 -3.649 1.00 0.00 H new ATOM 0 HA ALA A 331 6.457 2.553 -5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.390 0.712 -3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.169 2.146 -3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.481 1.754 -2.654 1.00 0.00 H new ATOM 870 N PRO A 332 4.024 2.565 -6.287 1.00 0.00 N ATOM 871 CA PRO A 332 2.729 2.171 -6.901 1.00 0.00 C ATOM 872 C PRO A 332 2.769 0.707 -7.347 1.00 0.00 C ATOM 873 O PRO A 332 1.927 -0.086 -6.975 1.00 0.00 O ATOM 874 CB PRO A 332 2.606 3.105 -8.104 1.00 0.00 C ATOM 875 CG PRO A 332 4.011 3.496 -8.427 1.00 0.00 C ATOM 876 CD PRO A 332 4.758 3.523 -7.120 1.00 0.00 C ATOM 0 HA PRO A 332 1.886 2.253 -6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 332 2.131 2.604 -8.947 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.997 3.977 -7.867 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.463 2.784 -9.118 1.00 0.00 H new ATOM 0 HG3 PRO A 332 4.041 4.472 -8.911 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.800 3.229 -7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.760 4.520 -6.679 1.00 0.00 H new ATOM 884 N GLU A 333 3.737 0.343 -8.141 1.00 0.00 N ATOM 885 CA GLU A 333 3.823 -1.069 -8.608 1.00 0.00 C ATOM 886 C GLU A 333 3.764 -2.022 -7.411 1.00 0.00 C ATOM 887 O GLU A 333 3.195 -3.092 -7.485 1.00 0.00 O ATOM 888 CB GLU A 333 5.173 -1.175 -9.317 1.00 0.00 C ATOM 889 CG GLU A 333 4.949 -1.310 -10.824 1.00 0.00 C ATOM 890 CD GLU A 333 4.615 0.061 -11.415 1.00 0.00 C ATOM 891 OE1 GLU A 333 4.465 0.996 -10.646 1.00 0.00 O ATOM 892 OE2 GLU A 333 4.514 0.152 -12.628 1.00 0.00 O ATOM 0 H GLU A 333 4.471 0.961 -8.486 1.00 0.00 H new ATOM 0 HA GLU A 333 2.999 -1.337 -9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.777 -0.292 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.726 -2.036 -8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 333 5.842 -1.715 -11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 333 4.137 -2.010 -11.020 1.00 0.00 H new ATOM 899 N GLN A 334 4.342 -1.637 -6.307 1.00 0.00 N ATOM 900 CA GLN A 334 4.312 -2.518 -5.107 1.00 0.00 C ATOM 901 C GLN A 334 2.906 -2.522 -4.502 1.00 0.00 C ATOM 902 O GLN A 334 2.317 -3.561 -4.285 1.00 0.00 O ATOM 903 CB GLN A 334 5.322 -1.903 -4.136 1.00 0.00 C ATOM 904 CG GLN A 334 6.738 -2.308 -4.552 1.00 0.00 C ATOM 905 CD GLN A 334 7.584 -1.054 -4.774 1.00 0.00 C ATOM 906 OE1 GLN A 334 8.458 -0.748 -3.987 1.00 0.00 O ATOM 907 NE2 GLN A 334 7.361 -0.308 -5.821 1.00 0.00 N ATOM 0 H GLN A 334 4.833 -0.751 -6.184 1.00 0.00 H new ATOM 0 HA GLN A 334 4.561 -3.553 -5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 334 5.228 -0.817 -4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 334 5.119 -2.241 -3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 334 7.190 -2.932 -3.781 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.704 -2.903 -5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 334 6.628 -0.564 -6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 334 7.920 0.531 -5.978 1.00 0.00 H new ATOM 916 N VAL A 335 2.359 -1.366 -4.240 1.00 0.00 N ATOM 917 CA VAL A 335 0.986 -1.313 -3.662 1.00 0.00 C ATOM 918 C VAL A 335 0.009 -2.006 -4.617 1.00 0.00 C ATOM 919 O VAL A 335 -0.865 -2.735 -4.198 1.00 0.00 O ATOM 920 CB VAL A 335 0.686 0.184 -3.500 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.817 0.465 -3.624 1.00 0.00 C ATOM 922 CG2 VAL A 335 1.160 0.627 -2.114 1.00 0.00 C ATOM 0 H VAL A 335 2.801 -0.461 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 335 0.893 -1.827 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 335 1.205 0.733 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -0.998 1.533 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.167 0.145 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.355 -0.083 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.955 1.689 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.632 0.057 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.232 0.451 -2.022 1.00 0.00 H new ATOM 932 N LYS A 336 0.164 -1.809 -5.899 1.00 0.00 N ATOM 933 CA LYS A 336 -0.748 -2.493 -6.859 1.00 0.00 C ATOM 934 C LYS A 336 -0.548 -4.001 -6.719 1.00 0.00 C ATOM 935 O LYS A 336 -1.489 -4.751 -6.549 1.00 0.00 O ATOM 936 CB LYS A 336 -0.315 -2.010 -8.244 1.00 0.00 C ATOM 937 CG LYS A 336 -0.982 -2.873 -9.319 1.00 0.00 C ATOM 938 CD LYS A 336 -1.724 -1.973 -10.309 1.00 0.00 C ATOM 939 CE LYS A 336 -1.629 -2.573 -11.715 1.00 0.00 C ATOM 940 NZ LYS A 336 -2.571 -1.768 -12.543 1.00 0.00 N ATOM 0 H LYS A 336 0.875 -1.210 -6.319 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.802 -2.275 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.592 -0.964 -8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.769 -2.067 -8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -0.231 -3.465 -9.842 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -1.677 -3.575 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -2.769 -1.874 -10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -1.294 -0.972 -10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -0.612 -2.512 -12.102 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -1.907 -3.627 -11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -2.561 -2.120 -13.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -3.532 -1.851 -12.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -2.278 -0.770 -12.531 1.00 0.00 H new ATOM 954 N HIS A 337 0.681 -4.448 -6.751 1.00 0.00 N ATOM 955 CA HIS A 337 0.943 -5.902 -6.580 1.00 0.00 C ATOM 956 C HIS A 337 0.441 -6.318 -5.199 1.00 0.00 C ATOM 957 O HIS A 337 -0.194 -7.341 -5.032 1.00 0.00 O ATOM 958 CB HIS A 337 2.463 -6.047 -6.668 1.00 0.00 C ATOM 959 CG HIS A 337 2.812 -7.047 -7.735 1.00 0.00 C ATOM 960 ND1 HIS A 337 2.160 -7.083 -8.957 1.00 0.00 N ATOM 961 CD2 HIS A 337 3.742 -8.055 -7.777 1.00 0.00 C ATOM 962 CE1 HIS A 337 2.701 -8.083 -9.676 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.670 -8.707 -9.004 1.00 0.00 N ATOM 0 H HIS A 337 1.509 -3.869 -6.888 1.00 0.00 H new ATOM 0 HA HIS A 337 0.445 -6.523 -7.325 1.00 0.00 H new ATOM 0 HB2 HIS A 337 2.918 -5.083 -6.896 1.00 0.00 H new ATOM 0 HB3 HIS A 337 2.864 -6.370 -5.707 1.00 0.00 H new ATOM 0 HD2 HIS A 337 4.426 -8.304 -6.979 1.00 0.00 H new ATOM 0 HE1 HIS A 337 2.389 -8.348 -10.675 1.00 0.00 H new ATOM 0 HE2 HIS A 337 4.237 -9.493 -9.322 1.00 0.00 H new ATOM 971 N PHE A 338 0.706 -5.505 -4.211 1.00 0.00 N ATOM 972 CA PHE A 338 0.231 -5.812 -2.836 1.00 0.00 C ATOM 973 C PHE A 338 -1.298 -5.799 -2.824 1.00 0.00 C ATOM 974 O PHE A 338 -1.940 -6.568 -2.135 1.00 0.00 O ATOM 975 CB PHE A 338 0.776 -4.680 -1.969 1.00 0.00 C ATOM 976 CG PHE A 338 0.060 -4.674 -0.645 1.00 0.00 C ATOM 977 CD1 PHE A 338 -0.082 -5.860 0.082 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.469 -3.479 -0.148 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.753 -5.851 1.309 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.139 -3.468 1.079 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.282 -4.654 1.809 1.00 0.00 C ATOM 0 H PHE A 338 1.234 -4.637 -4.301 1.00 0.00 H new ATOM 0 HA PHE A 338 0.561 -6.788 -2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.847 -4.809 -1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.639 -3.723 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.326 -6.782 -0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.360 -2.564 -0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.863 -6.767 1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.546 -2.545 1.464 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.800 -4.646 2.757 1.00 0.00 H new ATOM 991 N GLN A 339 -1.876 -4.918 -3.592 1.00 0.00 N ATOM 992 CA GLN A 339 -3.360 -4.820 -3.654 1.00 0.00 C ATOM 993 C GLN A 339 -3.952 -6.085 -4.283 1.00 0.00 C ATOM 994 O GLN A 339 -4.781 -6.752 -3.697 1.00 0.00 O ATOM 995 CB GLN A 339 -3.625 -3.605 -4.539 1.00 0.00 C ATOM 996 CG GLN A 339 -4.101 -2.436 -3.676 1.00 0.00 C ATOM 997 CD GLN A 339 -4.908 -1.462 -4.535 1.00 0.00 C ATOM 998 OE1 GLN A 339 -4.356 -0.755 -5.354 1.00 0.00 O ATOM 999 NE2 GLN A 339 -6.203 -1.395 -4.383 1.00 0.00 N ATOM 0 H GLN A 339 -1.377 -4.255 -4.185 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.814 -4.721 -2.668 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.717 -3.328 -5.075 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.378 -3.846 -5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -4.713 -2.804 -2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.246 -1.925 -3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -6.667 -1.988 -3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -6.751 -0.749 -4.952 1.00 0.00 H new