USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 637 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: S 471 THR OG1 : rot 180:sc= 0.0227 USER MOD Set 1.2: S 472 GLN : amide:sc= -1.56 K(o=-1.5,f=-0.023) USER MOD Single : P 360 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 362 GLN : amide:sc= -0.897 K(o=-0.9,f=-3.1!) USER MOD Single : P 370 SER OG : rot 180:sc= 0 USER MOD Single : P 376 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : P 378 CYS SG : rot 21:sc= -8.44 USER MOD Single : P 379 SER OG : rot 180:sc= 0 USER MOD Single : P 381 SER OG : rot 160:sc= -0.955 USER MOD Single : P 382 THR OG1 : rot 170:sc= -5.79! USER MOD Single : P 383 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.195) USER MOD Single : P 385 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 460 SER OG : rot 180:sc= -0.026 USER MOD Single : S 461 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.36) USER MOD Single : S 467 SER OG : rot 97:sc= -0.359 USER MOD Single : S 468 TYR OH : rot -91:sc= 1.08 USER MOD Single : S 479 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 488 SER OG : rot 180:sc= 0.0862 USER MOD Single : S 489 LYS NZ :NH3+ 178:sc= -0.0469 (180deg=-0.0525) USER MOD Single : S 491 ASN : amide:sc= -3.31! C(o=-3.3!,f=-16!) USER MOD Single : S 499 SER OG : rot 180:sc= 0.534 USER MOD Single : S 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 502 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 508 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N SER S 460 -4.688 -9.734 2.719 1.00 0.00 N ATOM 91 CA SER S 460 -5.704 -9.922 1.690 1.00 0.00 C ATOM 92 C SER S 460 -5.291 -9.240 0.388 1.00 0.00 C ATOM 93 O SER S 460 -4.143 -8.828 0.234 1.00 0.00 O ATOM 94 CB SER S 460 -7.047 -9.379 2.173 1.00 0.00 C ATOM 95 OG SER S 460 -7.198 -8.008 1.849 1.00 0.00 O ATOM 0 HA SER S 460 -5.805 -10.990 1.496 1.00 0.00 H new ATOM 0 HB2 SER S 460 -7.856 -9.952 1.721 1.00 0.00 H new ATOM 0 HB3 SER S 460 -7.127 -9.510 3.252 1.00 0.00 H new ATOM 0 HG SER S 460 -8.068 -7.690 2.170 1.00 0.00 H new ATOM 101 N GLN S 461 -6.226 -9.129 -0.553 1.00 0.00 N ATOM 102 CA GLN S 461 -5.930 -8.498 -1.836 1.00 0.00 C ATOM 103 C GLN S 461 -7.172 -7.855 -2.448 1.00 0.00 C ATOM 104 O GLN S 461 -8.302 -8.193 -2.094 1.00 0.00 O ATOM 105 CB GLN S 461 -5.351 -9.522 -2.819 1.00 0.00 C ATOM 106 CG GLN S 461 -4.570 -10.647 -2.156 1.00 0.00 C ATOM 107 CD GLN S 461 -3.812 -11.498 -3.156 1.00 0.00 C ATOM 108 OE1 GLN S 461 -3.951 -12.720 -3.180 1.00 0.00 O ATOM 109 NE2 GLN S 461 -3.001 -10.854 -3.986 1.00 0.00 N ATOM 0 H GLN S 461 -7.184 -9.464 -0.453 1.00 0.00 H new ATOM 0 HA GLN S 461 -5.194 -7.716 -1.648 1.00 0.00 H new ATOM 0 HB2 GLN S 461 -6.166 -9.953 -3.400 1.00 0.00 H new ATOM 0 HB3 GLN S 461 -4.697 -9.006 -3.522 1.00 0.00 H new ATOM 0 HG2 GLN S 461 -3.867 -10.223 -1.439 1.00 0.00 H new ATOM 0 HG3 GLN S 461 -5.257 -11.279 -1.593 1.00 0.00 H new ATOM 0 HE21 GLN S 461 -2.916 -9.839 -3.931 1.00 0.00 H new ATOM 0 HE22 GLN S 461 -2.463 -11.374 -4.679 1.00 0.00 H new ATOM 118 N VAL S 462 -6.942 -6.931 -3.375 1.00 0.00 N ATOM 119 CA VAL S 462 -8.022 -6.228 -4.062 1.00 0.00 C ATOM 120 C VAL S 462 -7.525 -5.614 -5.363 1.00 0.00 C ATOM 121 O VAL S 462 -6.433 -5.048 -5.413 1.00 0.00 O ATOM 122 CB VAL S 462 -8.626 -5.105 -3.192 1.00 0.00 C ATOM 123 CG1 VAL S 462 -9.784 -5.629 -2.353 1.00 0.00 C ATOM 124 CG2 VAL S 462 -7.554 -4.471 -2.318 1.00 0.00 C ATOM 0 H VAL S 462 -6.008 -6.649 -3.671 1.00 0.00 H new ATOM 0 HA VAL S 462 -8.793 -6.970 -4.267 1.00 0.00 H new ATOM 0 HB VAL S 462 -9.021 -4.334 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL S 462 -10.192 -4.818 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL S 462 -10.562 -6.019 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL S 462 -9.428 -6.425 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL S 462 -7.999 -3.682 -1.712 1.00 0.00 H new ATOM 0 HG22 VAL S 462 -7.121 -5.229 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL S 462 -6.773 -4.047 -2.950 1.00 0.00 H new ATOM 134 N GLU S 463 -8.332 -5.710 -6.413 1.00 0.00 N ATOM 135 CA GLU S 463 -7.959 -5.144 -7.701 1.00 0.00 C ATOM 136 C GLU S 463 -7.890 -3.622 -7.601 1.00 0.00 C ATOM 137 O GLU S 463 -8.533 -3.024 -6.738 1.00 0.00 O ATOM 138 CB GLU S 463 -8.955 -5.570 -8.788 1.00 0.00 C ATOM 139 CG GLU S 463 -10.196 -4.695 -8.869 1.00 0.00 C ATOM 140 CD GLU S 463 -11.412 -5.452 -9.367 1.00 0.00 C ATOM 141 OE1 GLU S 463 -11.399 -6.700 -9.315 1.00 0.00 O ATOM 142 OE2 GLU S 463 -12.378 -4.796 -9.813 1.00 0.00 O ATOM 0 H GLU S 463 -9.242 -6.171 -6.398 1.00 0.00 H new ATOM 0 HA GLU S 463 -6.975 -5.522 -7.978 1.00 0.00 H new ATOM 0 HB2 GLU S 463 -8.450 -5.557 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU S 463 -9.261 -6.600 -8.602 1.00 0.00 H new ATOM 0 HG2 GLU S 463 -10.409 -4.281 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU S 463 -10.000 -3.853 -9.533 1.00 0.00 H new ATOM 149 N ALA S 464 -7.114 -2.999 -8.478 1.00 0.00 N ATOM 150 CA ALA S 464 -6.976 -1.549 -8.470 1.00 0.00 C ATOM 151 C ALA S 464 -8.023 -0.902 -9.368 1.00 0.00 C ATOM 152 O ALA S 464 -8.705 -1.587 -10.131 1.00 0.00 O ATOM 153 CB ALA S 464 -5.574 -1.146 -8.903 1.00 0.00 C ATOM 0 H ALA S 464 -6.573 -3.473 -9.201 1.00 0.00 H new ATOM 0 HA ALA S 464 -7.137 -1.195 -7.452 1.00 0.00 H new ATOM 0 HB1 ALA S 464 -5.488 -0.059 -8.892 1.00 0.00 H new ATOM 0 HB2 ALA S 464 -4.844 -1.575 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA S 464 -5.385 -1.514 -9.911 1.00 0.00 H new ATOM 159 N LEU S 465 -8.158 0.414 -9.271 1.00 0.00 N ATOM 160 CA LEU S 465 -9.136 1.137 -10.076 1.00 0.00 C ATOM 161 C LEU S 465 -8.557 2.426 -10.666 1.00 0.00 C ATOM 162 O LEU S 465 -9.205 3.084 -11.479 1.00 0.00 O ATOM 163 CB LEU S 465 -10.369 1.456 -9.234 1.00 0.00 C ATOM 164 CG LEU S 465 -11.034 0.241 -8.585 1.00 0.00 C ATOM 165 CD1 LEU S 465 -10.223 -0.242 -7.394 1.00 0.00 C ATOM 166 CD2 LEU S 465 -12.459 0.574 -8.168 1.00 0.00 C ATOM 0 H LEU S 465 -7.606 1.001 -8.646 1.00 0.00 H new ATOM 0 HA LEU S 465 -9.416 0.493 -10.910 1.00 0.00 H new ATOM 0 HB2 LEU S 465 -10.085 2.159 -8.451 1.00 0.00 H new ATOM 0 HB3 LEU S 465 -11.102 1.960 -9.864 1.00 0.00 H new ATOM 0 HG LEU S 465 -11.071 -0.564 -9.319 1.00 0.00 H new ATOM 0 HD11 LEU S 465 -10.713 -1.107 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU S 465 -9.223 -0.522 -7.724 1.00 0.00 H new ATOM 0 HD13 LEU S 465 -10.150 0.556 -6.655 1.00 0.00 H new ATOM 0 HD21 LEU S 465 -12.917 -0.301 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU S 465 -12.446 1.395 -7.452 1.00 0.00 H new ATOM 0 HD23 LEU S 465 -13.036 0.867 -9.045 1.00 0.00 H new ATOM 178 N PHE S 466 -7.343 2.783 -10.260 1.00 0.00 N ATOM 179 CA PHE S 466 -6.701 3.993 -10.761 1.00 0.00 C ATOM 180 C PHE S 466 -5.190 3.833 -10.820 1.00 0.00 C ATOM 181 O PHE S 466 -4.637 2.828 -10.372 1.00 0.00 O ATOM 182 CB PHE S 466 -7.024 5.190 -9.868 1.00 0.00 C ATOM 183 CG PHE S 466 -8.471 5.322 -9.504 1.00 0.00 C ATOM 184 CD1 PHE S 466 -9.330 6.042 -10.312 1.00 0.00 C ATOM 185 CD2 PHE S 466 -8.966 4.740 -8.348 1.00 0.00 C ATOM 186 CE1 PHE S 466 -10.658 6.188 -9.973 1.00 0.00 C ATOM 187 CE2 PHE S 466 -10.297 4.877 -8.007 1.00 0.00 C ATOM 188 CZ PHE S 466 -11.141 5.604 -8.822 1.00 0.00 C ATOM 0 H PHE S 466 -6.786 2.255 -9.589 1.00 0.00 H new ATOM 0 HA PHE S 466 -7.088 4.164 -11.766 1.00 0.00 H new ATOM 0 HB2 PHE S 466 -6.438 5.112 -8.952 1.00 0.00 H new ATOM 0 HB3 PHE S 466 -6.705 6.101 -10.374 1.00 0.00 H new ATOM 0 HD1 PHE S 466 -8.957 6.495 -11.219 1.00 0.00 H new ATOM 0 HD2 PHE S 466 -8.305 4.174 -7.708 1.00 0.00 H new ATOM 0 HE1 PHE S 466 -11.319 6.759 -10.608 1.00 0.00 H new ATOM 0 HE2 PHE S 466 -10.676 4.417 -7.106 1.00 0.00 H new ATOM 0 HZ PHE S 466 -12.182 5.715 -8.557 1.00 0.00 H new ATOM 198 N SER S 467 -4.527 4.856 -11.347 1.00 0.00 N ATOM 199 CA SER S 467 -3.077 4.867 -11.438 1.00 0.00 C ATOM 200 C SER S 467 -2.523 5.864 -10.431 1.00 0.00 C ATOM 201 O SER S 467 -2.592 7.076 -10.638 1.00 0.00 O ATOM 202 CB SER S 467 -2.625 5.231 -12.854 1.00 0.00 C ATOM 203 OG SER S 467 -2.958 4.207 -13.775 1.00 0.00 O ATOM 0 H SER S 467 -4.977 5.692 -11.719 1.00 0.00 H new ATOM 0 HA SER S 467 -2.696 3.871 -11.212 1.00 0.00 H new ATOM 0 HB2 SER S 467 -3.094 6.166 -13.160 1.00 0.00 H new ATOM 0 HB3 SER S 467 -1.548 5.397 -12.864 1.00 0.00 H new ATOM 0 HG SER S 467 -3.801 4.431 -14.222 1.00 0.00 H new ATOM 209 N TYR S 468 -2.002 5.348 -9.328 1.00 0.00 N ATOM 210 CA TYR S 468 -1.470 6.193 -8.269 1.00 0.00 C ATOM 211 C TYR S 468 -0.073 6.700 -8.598 1.00 0.00 C ATOM 212 O TYR S 468 0.883 5.928 -8.652 1.00 0.00 O ATOM 213 CB TYR S 468 -1.438 5.415 -6.949 1.00 0.00 C ATOM 214 CG TYR S 468 -0.859 6.193 -5.783 1.00 0.00 C ATOM 215 CD1 TYR S 468 -0.724 7.575 -5.835 1.00 0.00 C ATOM 216 CD2 TYR S 468 -0.445 5.537 -4.630 1.00 0.00 C ATOM 217 CE1 TYR S 468 -0.191 8.281 -4.775 1.00 0.00 C ATOM 218 CE2 TYR S 468 0.087 6.238 -3.565 1.00 0.00 C ATOM 219 CZ TYR S 468 0.213 7.608 -3.641 1.00 0.00 C ATOM 220 OH TYR S 468 0.743 8.307 -2.581 1.00 0.00 O ATOM 0 H TYR S 468 -1.936 4.347 -9.143 1.00 0.00 H new ATOM 0 HA TYR S 468 -2.127 7.058 -8.175 1.00 0.00 H new ATOM 0 HB2 TYR S 468 -2.453 5.106 -6.697 1.00 0.00 H new ATOM 0 HB3 TYR S 468 -0.854 4.506 -7.090 1.00 0.00 H new ATOM 0 HD1 TYR S 468 -1.042 8.106 -6.720 1.00 0.00 H new ATOM 0 HD2 TYR S 468 -0.541 4.463 -4.566 1.00 0.00 H new ATOM 0 HE1 TYR S 468 -0.091 9.355 -4.834 1.00 0.00 H new ATOM 0 HE2 TYR S 468 0.403 5.714 -2.675 1.00 0.00 H new ATOM 0 HH TYR S 468 1.716 8.366 -2.682 1.00 0.00 H new ATOM 230 N GLU S 469 0.043 8.011 -8.787 1.00 0.00 N ATOM 231 CA GLU S 469 1.330 8.624 -9.076 1.00 0.00 C ATOM 232 C GLU S 469 2.188 8.600 -7.820 1.00 0.00 C ATOM 233 O GLU S 469 1.921 9.320 -6.858 1.00 0.00 O ATOM 234 CB GLU S 469 1.153 10.059 -9.565 1.00 0.00 C ATOM 235 CG GLU S 469 2.194 10.482 -10.588 1.00 0.00 C ATOM 236 CD GLU S 469 1.778 11.715 -11.366 1.00 0.00 C ATOM 237 OE1 GLU S 469 0.646 11.730 -11.896 1.00 0.00 O ATOM 238 OE2 GLU S 469 2.584 12.666 -11.448 1.00 0.00 O ATOM 0 H GLU S 469 -0.738 8.666 -8.745 1.00 0.00 H new ATOM 0 HA GLU S 469 1.821 8.058 -9.868 1.00 0.00 H new ATOM 0 HB2 GLU S 469 0.160 10.166 -10.003 1.00 0.00 H new ATOM 0 HB3 GLU S 469 1.199 10.734 -8.711 1.00 0.00 H new ATOM 0 HG2 GLU S 469 3.138 10.678 -10.080 1.00 0.00 H new ATOM 0 HG3 GLU S 469 2.370 9.661 -11.283 1.00 0.00 H new ATOM 245 N ALA S 470 3.198 7.749 -7.828 1.00 0.00 N ATOM 246 CA ALA S 470 4.079 7.604 -6.678 1.00 0.00 C ATOM 247 C ALA S 470 5.268 8.554 -6.750 1.00 0.00 C ATOM 248 O ALA S 470 6.111 8.450 -7.640 1.00 0.00 O ATOM 249 CB ALA S 470 4.551 6.162 -6.566 1.00 0.00 C ATOM 0 H ALA S 470 3.431 7.146 -8.617 1.00 0.00 H new ATOM 0 HA ALA S 470 3.511 7.867 -5.785 1.00 0.00 H new ATOM 0 HB1 ALA S 470 5.210 6.061 -5.704 1.00 0.00 H new ATOM 0 HB2 ALA S 470 3.689 5.506 -6.444 1.00 0.00 H new ATOM 0 HB3 ALA S 470 5.092 5.885 -7.471 1.00 0.00 H new ATOM 255 N THR S 471 5.333 9.472 -5.790 1.00 0.00 N ATOM 256 CA THR S 471 6.423 10.437 -5.723 1.00 0.00 C ATOM 257 C THR S 471 7.452 9.989 -4.693 1.00 0.00 C ATOM 258 O THR S 471 8.652 10.207 -4.859 1.00 0.00 O ATOM 259 CB THR S 471 5.887 11.823 -5.363 1.00 0.00 C ATOM 260 OG1 THR S 471 4.738 11.720 -4.540 1.00 0.00 O ATOM 261 CG2 THR S 471 5.513 12.652 -6.572 1.00 0.00 C ATOM 0 H THR S 471 4.641 9.567 -5.047 1.00 0.00 H new ATOM 0 HA THR S 471 6.901 10.493 -6.701 1.00 0.00 H new ATOM 0 HB THR S 471 6.703 12.321 -4.839 1.00 0.00 H new ATOM 0 HG1 THR S 471 4.412 12.618 -4.320 1.00 0.00 H new ATOM 0 HG21 THR S 471 5.140 13.623 -6.246 1.00 0.00 H new ATOM 0 HG22 THR S 471 6.391 12.793 -7.202 1.00 0.00 H new ATOM 0 HG23 THR S 471 4.738 12.138 -7.140 1.00 0.00 H new ATOM 269 N GLN S 472 6.969 9.346 -3.633 1.00 0.00 N ATOM 270 CA GLN S 472 7.840 8.848 -2.577 1.00 0.00 C ATOM 271 C GLN S 472 8.083 7.349 -2.755 1.00 0.00 C ATOM 272 O GLN S 472 7.318 6.666 -3.435 1.00 0.00 O ATOM 273 CB GLN S 472 7.237 9.128 -1.195 1.00 0.00 C ATOM 274 CG GLN S 472 5.741 8.871 -1.111 1.00 0.00 C ATOM 275 CD GLN S 472 4.931 10.150 -0.993 1.00 0.00 C ATOM 276 OE1 GLN S 472 3.947 10.208 -0.257 1.00 0.00 O ATOM 277 NE2 GLN S 472 5.343 11.183 -1.722 1.00 0.00 N ATOM 0 H GLN S 472 5.977 9.158 -3.484 1.00 0.00 H new ATOM 0 HA GLN S 472 8.794 9.371 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN S 472 7.744 8.508 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN S 472 7.433 10.166 -0.928 1.00 0.00 H new ATOM 0 HG2 GLN S 472 5.420 8.324 -1.997 1.00 0.00 H new ATOM 0 HG3 GLN S 472 5.534 8.234 -0.251 1.00 0.00 H new ATOM 0 HE21 GLN S 472 6.165 11.090 -2.319 1.00 0.00 H new ATOM 0 HE22 GLN S 472 4.837 12.068 -1.684 1.00 0.00 H new ATOM 286 N PRO S 473 9.170 6.822 -2.167 1.00 0.00 N ATOM 287 CA PRO S 473 9.524 5.401 -2.286 1.00 0.00 C ATOM 288 C PRO S 473 8.498 4.456 -1.658 1.00 0.00 C ATOM 289 O PRO S 473 7.878 3.654 -2.356 1.00 0.00 O ATOM 290 CB PRO S 473 10.867 5.298 -1.558 1.00 0.00 C ATOM 291 CG PRO S 473 10.921 6.487 -0.661 1.00 0.00 C ATOM 292 CD PRO S 473 10.149 7.570 -1.360 1.00 0.00 C ATOM 0 HA PRO S 473 9.561 5.096 -3.332 1.00 0.00 H new ATOM 0 HB2 PRO S 473 10.935 4.372 -0.988 1.00 0.00 H new ATOM 0 HB3 PRO S 473 11.698 5.300 -2.264 1.00 0.00 H new ATOM 0 HG2 PRO S 473 10.483 6.262 0.312 1.00 0.00 H new ATOM 0 HG3 PRO S 473 11.951 6.795 -0.483 1.00 0.00 H new ATOM 0 HD2 PRO S 473 9.659 8.237 -0.650 1.00 0.00 H new ATOM 0 HD3 PRO S 473 10.796 8.187 -1.983 1.00 0.00 H new ATOM 300 N GLU S 474 8.341 4.531 -0.337 1.00 0.00 N ATOM 301 CA GLU S 474 7.410 3.656 0.377 1.00 0.00 C ATOM 302 C GLU S 474 6.045 3.581 -0.313 1.00 0.00 C ATOM 303 O GLU S 474 5.383 2.544 -0.278 1.00 0.00 O ATOM 304 CB GLU S 474 7.254 4.102 1.835 1.00 0.00 C ATOM 305 CG GLU S 474 6.329 5.291 2.039 1.00 0.00 C ATOM 306 CD GLU S 474 7.039 6.619 1.854 1.00 0.00 C ATOM 307 OE1 GLU S 474 7.804 6.751 0.877 1.00 0.00 O ATOM 308 OE2 GLU S 474 6.832 7.523 2.689 1.00 0.00 O ATOM 0 H GLU S 474 8.845 5.187 0.260 1.00 0.00 H new ATOM 0 HA GLU S 474 7.836 2.653 0.362 1.00 0.00 H new ATOM 0 HB2 GLU S 474 6.879 3.262 2.420 1.00 0.00 H new ATOM 0 HB3 GLU S 474 8.238 4.352 2.232 1.00 0.00 H new ATOM 0 HG2 GLU S 474 5.499 5.226 1.336 1.00 0.00 H new ATOM 0 HG3 GLU S 474 5.902 5.247 3.041 1.00 0.00 H new ATOM 315 N ASP S 475 5.629 4.677 -0.944 1.00 0.00 N ATOM 316 CA ASP S 475 4.350 4.711 -1.637 1.00 0.00 C ATOM 317 C ASP S 475 4.293 3.632 -2.713 1.00 0.00 C ATOM 318 O ASP S 475 5.116 3.609 -3.627 1.00 0.00 O ATOM 319 CB ASP S 475 4.127 6.085 -2.262 1.00 0.00 C ATOM 320 CG ASP S 475 3.407 7.039 -1.325 1.00 0.00 C ATOM 321 OD1 ASP S 475 3.162 6.658 -0.162 1.00 0.00 O ATOM 322 OD2 ASP S 475 3.090 8.166 -1.757 1.00 0.00 O ATOM 0 H ASP S 475 6.158 5.548 -0.988 1.00 0.00 H new ATOM 0 HA ASP S 475 3.560 4.518 -0.911 1.00 0.00 H new ATOM 0 HB2 ASP S 475 5.089 6.513 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP S 475 3.548 5.974 -3.179 1.00 0.00 H new ATOM 327 N LEU S 476 3.316 2.741 -2.597 1.00 0.00 N ATOM 328 CA LEU S 476 3.151 1.663 -3.560 1.00 0.00 C ATOM 329 C LEU S 476 2.461 2.180 -4.815 1.00 0.00 C ATOM 330 O LEU S 476 1.255 2.431 -4.819 1.00 0.00 O ATOM 331 CB LEU S 476 2.349 0.511 -2.951 1.00 0.00 C ATOM 332 CG LEU S 476 2.020 -0.626 -3.919 1.00 0.00 C ATOM 333 CD1 LEU S 476 3.291 -1.209 -4.515 1.00 0.00 C ATOM 334 CD2 LEU S 476 1.209 -1.707 -3.228 1.00 0.00 C ATOM 0 H LEU S 476 2.627 2.745 -1.845 1.00 0.00 H new ATOM 0 HA LEU S 476 4.139 1.289 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU S 476 2.909 0.102 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU S 476 1.417 0.909 -2.550 1.00 0.00 H new ATOM 0 HG LEU S 476 1.418 -0.216 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU S 476 3.034 -2.016 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU S 476 3.829 -0.431 -5.056 1.00 0.00 H new ATOM 0 HD13 LEU S 476 3.922 -1.598 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU S 476 0.987 -2.505 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU S 476 1.780 -2.112 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU S 476 0.276 -1.281 -2.858 1.00 0.00 H new ATOM 346 N GLU S 477 3.241 2.344 -5.874 1.00 0.00 N ATOM 347 CA GLU S 477 2.723 2.841 -7.141 1.00 0.00 C ATOM 348 C GLU S 477 2.052 1.725 -7.930 1.00 0.00 C ATOM 349 O GLU S 477 2.515 0.584 -7.923 1.00 0.00 O ATOM 350 CB GLU S 477 3.855 3.442 -7.974 1.00 0.00 C ATOM 351 CG GLU S 477 3.399 4.552 -8.906 1.00 0.00 C ATOM 352 CD GLU S 477 4.534 5.119 -9.737 1.00 0.00 C ATOM 353 OE1 GLU S 477 5.310 4.321 -10.303 1.00 0.00 O ATOM 354 OE2 GLU S 477 4.646 6.360 -9.820 1.00 0.00 O ATOM 0 H GLU S 477 4.240 2.139 -5.881 1.00 0.00 H new ATOM 0 HA GLU S 477 1.982 3.610 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU S 477 4.620 3.833 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU S 477 4.321 2.652 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU S 477 2.624 4.169 -9.570 1.00 0.00 H new ATOM 0 HG3 GLU S 477 2.949 5.352 -8.319 1.00 0.00 H new ATOM 361 N PHE S 478 0.969 2.061 -8.615 1.00 0.00 N ATOM 362 CA PHE S 478 0.250 1.074 -9.416 1.00 0.00 C ATOM 363 C PHE S 478 -0.678 1.745 -10.421 1.00 0.00 C ATOM 364 O PHE S 478 -0.942 2.943 -10.335 1.00 0.00 O ATOM 365 CB PHE S 478 -0.550 0.131 -8.516 1.00 0.00 C ATOM 366 CG PHE S 478 -1.206 0.816 -7.352 1.00 0.00 C ATOM 367 CD1 PHE S 478 -2.063 1.884 -7.551 1.00 0.00 C ATOM 368 CD2 PHE S 478 -0.966 0.385 -6.057 1.00 0.00 C ATOM 369 CE1 PHE S 478 -2.670 2.514 -6.481 1.00 0.00 C ATOM 370 CE2 PHE S 478 -1.570 1.009 -4.983 1.00 0.00 C ATOM 371 CZ PHE S 478 -2.423 2.075 -5.195 1.00 0.00 C ATOM 0 H PHE S 478 0.570 2.999 -8.635 1.00 0.00 H new ATOM 0 HA PHE S 478 0.991 0.496 -9.968 1.00 0.00 H new ATOM 0 HB2 PHE S 478 -1.316 -0.364 -9.113 1.00 0.00 H new ATOM 0 HB3 PHE S 478 0.114 -0.648 -8.140 1.00 0.00 H new ATOM 0 HD1 PHE S 478 -2.260 2.230 -8.555 1.00 0.00 H new ATOM 0 HD2 PHE S 478 -0.300 -0.448 -5.886 1.00 0.00 H new ATOM 0 HE1 PHE S 478 -3.336 3.347 -6.650 1.00 0.00 H new ATOM 0 HE2 PHE S 478 -1.376 0.664 -3.978 1.00 0.00 H new ATOM 0 HZ PHE S 478 -2.896 2.564 -4.356 1.00 0.00 H new ATOM 381 N GLN S 479 -1.169 0.957 -11.373 1.00 0.00 N ATOM 382 CA GLN S 479 -2.072 1.463 -12.401 1.00 0.00 C ATOM 383 C GLN S 479 -3.508 1.043 -12.109 1.00 0.00 C ATOM 384 O GLN S 479 -3.761 0.244 -11.207 1.00 0.00 O ATOM 385 CB GLN S 479 -1.648 0.950 -13.778 1.00 0.00 C ATOM 386 CG GLN S 479 -1.620 -0.568 -13.881 1.00 0.00 C ATOM 387 CD GLN S 479 -0.271 -1.099 -14.322 1.00 0.00 C ATOM 388 OE1 GLN S 479 0.012 -1.189 -15.517 1.00 0.00 O ATOM 389 NE2 GLN S 479 0.570 -1.454 -13.357 1.00 0.00 N ATOM 0 H GLN S 479 -0.956 -0.037 -11.454 1.00 0.00 H new ATOM 0 HA GLN S 479 -2.020 2.552 -12.396 1.00 0.00 H new ATOM 0 HB2 GLN S 479 -2.332 1.344 -14.530 1.00 0.00 H new ATOM 0 HB3 GLN S 479 -0.658 1.340 -14.013 1.00 0.00 H new ATOM 0 HG2 GLN S 479 -1.877 -0.999 -12.913 1.00 0.00 H new ATOM 0 HG3 GLN S 479 -2.383 -0.894 -14.588 1.00 0.00 H new ATOM 0 HE21 GLN S 479 0.293 -1.362 -12.380 1.00 0.00 H new ATOM 0 HE22 GLN S 479 1.493 -1.818 -13.593 1.00 0.00 H new ATOM 398 N GLU S 480 -4.449 1.584 -12.877 1.00 0.00 N ATOM 399 CA GLU S 480 -5.859 1.261 -12.695 1.00 0.00 C ATOM 400 C GLU S 480 -6.140 -0.186 -13.087 1.00 0.00 C ATOM 401 O GLU S 480 -5.424 -0.769 -13.901 1.00 0.00 O ATOM 402 CB GLU S 480 -6.735 2.212 -13.517 1.00 0.00 C ATOM 403 CG GLU S 480 -6.712 1.930 -15.012 1.00 0.00 C ATOM 404 CD GLU S 480 -6.381 3.159 -15.835 1.00 0.00 C ATOM 405 OE1 GLU S 480 -5.220 3.617 -15.778 1.00 0.00 O ATOM 406 OE2 GLU S 480 -7.283 3.665 -16.535 1.00 0.00 O ATOM 0 H GLU S 480 -4.261 2.246 -13.629 1.00 0.00 H new ATOM 0 HA GLU S 480 -6.102 1.383 -11.639 1.00 0.00 H new ATOM 0 HB2 GLU S 480 -7.763 2.145 -13.160 1.00 0.00 H new ATOM 0 HB3 GLU S 480 -6.404 3.236 -13.345 1.00 0.00 H new ATOM 0 HG2 GLU S 480 -5.978 1.151 -15.219 1.00 0.00 H new ATOM 0 HG3 GLU S 480 -7.684 1.543 -15.319 1.00 0.00 H new ATOM 413 N GLY S 481 -7.189 -0.760 -12.504 1.00 0.00 N ATOM 414 CA GLY S 481 -7.549 -2.136 -12.804 1.00 0.00 C ATOM 415 C GLY S 481 -6.360 -3.077 -12.751 1.00 0.00 C ATOM 416 O GLY S 481 -6.011 -3.702 -13.753 1.00 0.00 O ATOM 0 H GLY S 481 -7.797 -0.297 -11.829 1.00 0.00 H new ATOM 0 HA2 GLY S 481 -8.305 -2.472 -12.095 1.00 0.00 H new ATOM 0 HA3 GLY S 481 -7.999 -2.182 -13.796 1.00 0.00 H new ATOM 420 N ASP S 482 -5.731 -3.178 -11.583 1.00 0.00 N ATOM 421 CA ASP S 482 -4.574 -4.048 -11.419 1.00 0.00 C ATOM 422 C ASP S 482 -4.760 -5.014 -10.256 1.00 0.00 C ATOM 423 O ASP S 482 -5.582 -4.791 -9.374 1.00 0.00 O ATOM 424 CB ASP S 482 -3.304 -3.215 -11.216 1.00 0.00 C ATOM 425 CG ASP S 482 -2.088 -4.063 -10.892 1.00 0.00 C ATOM 426 OD1 ASP S 482 -1.703 -4.897 -11.738 1.00 0.00 O ATOM 427 OD2 ASP S 482 -1.521 -3.893 -9.792 1.00 0.00 O ATOM 0 H ASP S 482 -6.003 -2.670 -10.741 1.00 0.00 H new ATOM 0 HA ASP S 482 -4.472 -4.637 -12.330 1.00 0.00 H new ATOM 0 HB2 ASP S 482 -3.107 -2.636 -12.118 1.00 0.00 H new ATOM 0 HB3 ASP S 482 -3.469 -2.501 -10.409 1.00 0.00 H new ATOM 432 N ILE S 483 -3.982 -6.090 -10.271 1.00 0.00 N ATOM 433 CA ILE S 483 -4.052 -7.100 -9.224 1.00 0.00 C ATOM 434 C ILE S 483 -3.031 -6.824 -8.127 1.00 0.00 C ATOM 435 O ILE S 483 -1.890 -7.282 -8.196 1.00 0.00 O ATOM 436 CB ILE S 483 -3.810 -8.512 -9.790 1.00 0.00 C ATOM 437 CG1 ILE S 483 -4.676 -8.746 -11.028 1.00 0.00 C ATOM 438 CG2 ILE S 483 -4.099 -9.564 -8.729 1.00 0.00 C ATOM 439 CD1 ILE S 483 -6.158 -8.559 -10.774 1.00 0.00 C ATOM 0 H ILE S 483 -3.294 -6.285 -10.999 1.00 0.00 H new ATOM 0 HA ILE S 483 -5.056 -7.052 -8.803 1.00 0.00 H new ATOM 0 HB ILE S 483 -2.763 -8.595 -10.082 1.00 0.00 H new ATOM 0 HG12 ILE S 483 -4.362 -8.062 -11.816 1.00 0.00 H new ATOM 0 HG13 ILE S 483 -4.503 -9.757 -11.396 1.00 0.00 H new ATOM 0 HG21 ILE S 483 -3.924 -10.557 -9.144 1.00 0.00 H new ATOM 0 HG22 ILE S 483 -3.443 -9.407 -7.873 1.00 0.00 H new ATOM 0 HG23 ILE S 483 -5.138 -9.483 -8.409 1.00 0.00 H new ATOM 0 HD11 ILE S 483 -6.711 -8.741 -11.696 1.00 0.00 H new ATOM 0 HD12 ILE S 483 -6.487 -9.262 -10.009 1.00 0.00 H new ATOM 0 HD13 ILE S 483 -6.343 -7.540 -10.435 1.00 0.00 H new ATOM 451 N ILE S 484 -3.449 -6.072 -7.116 1.00 0.00 N ATOM 452 CA ILE S 484 -2.574 -5.731 -6.002 1.00 0.00 C ATOM 453 C ILE S 484 -2.732 -6.722 -4.856 1.00 0.00 C ATOM 454 O ILE S 484 -3.741 -7.419 -4.759 1.00 0.00 O ATOM 455 CB ILE S 484 -2.867 -4.313 -5.477 1.00 0.00 C ATOM 456 CG1 ILE S 484 -2.799 -3.302 -6.618 1.00 0.00 C ATOM 457 CG2 ILE S 484 -1.892 -3.936 -4.371 1.00 0.00 C ATOM 458 CD1 ILE S 484 -3.382 -1.957 -6.257 1.00 0.00 C ATOM 0 H ILE S 484 -4.391 -5.686 -7.045 1.00 0.00 H new ATOM 0 HA ILE S 484 -1.552 -5.772 -6.378 1.00 0.00 H new ATOM 0 HB ILE S 484 -3.874 -4.301 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE S 484 -1.759 -3.171 -6.917 1.00 0.00 H new ATOM 0 HG13 ILE S 484 -3.331 -3.702 -7.481 1.00 0.00 H new ATOM 0 HG21 ILE S 484 -2.117 -2.931 -4.015 1.00 0.00 H new ATOM 0 HG22 ILE S 484 -1.986 -4.643 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE S 484 -0.874 -3.964 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE S 484 -3.302 -1.285 -7.111 1.00 0.00 H new ATOM 0 HD12 ILE S 484 -4.431 -2.076 -5.985 1.00 0.00 H new ATOM 0 HD13 ILE S 484 -2.834 -1.538 -5.413 1.00 0.00 H new ATOM 470 N LEU S 485 -1.728 -6.777 -3.990 1.00 0.00 N ATOM 471 CA LEU S 485 -1.755 -7.679 -2.847 1.00 0.00 C ATOM 472 C LEU S 485 -1.641 -6.895 -1.543 1.00 0.00 C ATOM 473 O LEU S 485 -0.610 -6.285 -1.257 1.00 0.00 O ATOM 474 CB LEU S 485 -0.624 -8.712 -2.962 1.00 0.00 C ATOM 475 CG LEU S 485 -0.217 -9.433 -1.665 1.00 0.00 C ATOM 476 CD1 LEU S 485 0.727 -8.569 -0.840 1.00 0.00 C ATOM 477 CD2 LEU S 485 -1.438 -9.830 -0.842 1.00 0.00 C ATOM 0 H LEU S 485 -0.885 -6.207 -4.058 1.00 0.00 H new ATOM 0 HA LEU S 485 -2.708 -8.208 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU S 485 -0.923 -9.465 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU S 485 0.256 -8.210 -3.364 1.00 0.00 H new ATOM 0 HG LEU S 485 0.307 -10.346 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU S 485 1.001 -9.099 0.072 1.00 0.00 H new ATOM 0 HD12 LEU S 485 1.625 -8.355 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU S 485 0.231 -7.633 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU S 485 -1.115 -10.337 0.067 1.00 0.00 H new ATOM 0 HD22 LEU S 485 -2.005 -8.937 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU S 485 -2.069 -10.500 -1.426 1.00 0.00 H new ATOM 489 N VAL S 486 -2.706 -6.929 -0.750 1.00 0.00 N ATOM 490 CA VAL S 486 -2.723 -6.241 0.533 1.00 0.00 C ATOM 491 C VAL S 486 -2.016 -7.095 1.561 1.00 0.00 C ATOM 492 O VAL S 486 -2.495 -8.170 1.895 1.00 0.00 O ATOM 493 CB VAL S 486 -4.152 -5.984 1.058 1.00 0.00 C ATOM 494 CG1 VAL S 486 -4.194 -4.723 1.890 1.00 0.00 C ATOM 495 CG2 VAL S 486 -5.175 -5.917 -0.069 1.00 0.00 C ATOM 0 H VAL S 486 -3.568 -7.426 -0.974 1.00 0.00 H new ATOM 0 HA VAL S 486 -2.231 -5.281 0.380 1.00 0.00 H new ATOM 0 HB VAL S 486 -4.421 -6.832 1.688 1.00 0.00 H new ATOM 0 HG11 VAL S 486 -5.209 -4.559 2.251 1.00 0.00 H new ATOM 0 HG12 VAL S 486 -3.519 -4.825 2.740 1.00 0.00 H new ATOM 0 HG13 VAL S 486 -3.884 -3.874 1.280 1.00 0.00 H new ATOM 0 HG21 VAL S 486 -6.165 -5.735 0.349 1.00 0.00 H new ATOM 0 HG22 VAL S 486 -4.914 -5.107 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL S 486 -5.179 -6.861 -0.613 1.00 0.00 H new ATOM 505 N LEU S 487 -0.879 -6.643 2.056 1.00 0.00 N ATOM 506 CA LEU S 487 -0.149 -7.431 3.039 1.00 0.00 C ATOM 507 C LEU S 487 -0.722 -7.294 4.446 1.00 0.00 C ATOM 508 O LEU S 487 -0.477 -8.148 5.298 1.00 0.00 O ATOM 509 CB LEU S 487 1.327 -7.054 3.046 1.00 0.00 C ATOM 510 CG LEU S 487 2.225 -7.880 2.113 1.00 0.00 C ATOM 511 CD1 LEU S 487 3.684 -7.722 2.510 1.00 0.00 C ATOM 512 CD2 LEU S 487 1.829 -9.352 2.137 1.00 0.00 C ATOM 0 H LEU S 487 -0.446 -5.755 1.803 1.00 0.00 H new ATOM 0 HA LEU S 487 -0.258 -8.474 2.740 1.00 0.00 H new ATOM 0 HB2 LEU S 487 1.417 -6.003 2.771 1.00 0.00 H new ATOM 0 HB3 LEU S 487 1.704 -7.151 4.064 1.00 0.00 H new ATOM 0 HG LEU S 487 2.093 -7.508 1.097 1.00 0.00 H new ATOM 0 HD11 LEU S 487 4.309 -8.313 1.841 1.00 0.00 H new ATOM 0 HD12 LEU S 487 3.968 -6.672 2.440 1.00 0.00 H new ATOM 0 HD13 LEU S 487 3.822 -8.068 3.534 1.00 0.00 H new ATOM 0 HD21 LEU S 487 2.480 -9.915 1.468 1.00 0.00 H new ATOM 0 HD22 LEU S 487 1.929 -9.739 3.151 1.00 0.00 H new ATOM 0 HD23 LEU S 487 0.795 -9.456 1.809 1.00 0.00 H new ATOM 524 N SER S 488 -1.478 -6.228 4.695 1.00 0.00 N ATOM 525 CA SER S 488 -2.062 -6.009 6.026 1.00 0.00 C ATOM 526 C SER S 488 -2.717 -4.633 6.133 1.00 0.00 C ATOM 527 O SER S 488 -2.983 -3.978 5.131 1.00 0.00 O ATOM 528 CB SER S 488 -0.975 -6.109 7.105 1.00 0.00 C ATOM 529 OG SER S 488 -1.505 -6.601 8.324 1.00 0.00 O ATOM 0 H SER S 488 -1.702 -5.509 4.007 1.00 0.00 H new ATOM 0 HA SER S 488 -2.820 -6.778 6.174 1.00 0.00 H new ATOM 0 HB2 SER S 488 -0.177 -6.767 6.761 1.00 0.00 H new ATOM 0 HB3 SER S 488 -0.530 -5.127 7.269 1.00 0.00 H new ATOM 0 HG SER S 488 -0.791 -6.656 8.993 1.00 0.00 H new ATOM 535 N LYS S 489 -2.935 -4.197 7.376 1.00 0.00 N ATOM 536 CA LYS S 489 -3.510 -2.887 7.660 1.00 0.00 C ATOM 537 C LYS S 489 -2.432 -2.022 8.301 1.00 0.00 C ATOM 538 O LYS S 489 -1.779 -2.451 9.251 1.00 0.00 O ATOM 539 CB LYS S 489 -4.715 -3.015 8.593 1.00 0.00 C ATOM 540 CG LYS S 489 -5.344 -1.681 8.960 1.00 0.00 C ATOM 541 CD LYS S 489 -6.850 -1.802 9.129 1.00 0.00 C ATOM 542 CE LYS S 489 -7.425 -0.609 9.877 1.00 0.00 C ATOM 543 NZ LYS S 489 -8.796 -0.266 9.406 1.00 0.00 N ATOM 0 H LYS S 489 -2.717 -4.743 8.210 1.00 0.00 H new ATOM 0 HA LYS S 489 -3.858 -2.428 6.734 1.00 0.00 H new ATOM 0 HB2 LYS S 489 -5.468 -3.643 8.117 1.00 0.00 H new ATOM 0 HB3 LYS S 489 -4.405 -3.525 9.505 1.00 0.00 H new ATOM 0 HG2 LYS S 489 -4.902 -1.311 9.885 1.00 0.00 H new ATOM 0 HG3 LYS S 489 -5.122 -0.947 8.185 1.00 0.00 H new ATOM 0 HD2 LYS S 489 -7.322 -1.880 8.150 1.00 0.00 H new ATOM 0 HD3 LYS S 489 -7.084 -2.719 9.670 1.00 0.00 H new ATOM 0 HE2 LYS S 489 -7.452 -0.829 10.944 1.00 0.00 H new ATOM 0 HE3 LYS S 489 -6.770 0.252 9.745 1.00 0.00 H new ATOM 0 HZ1 LYS S 489 -9.165 0.530 9.964 1.00 0.00 H new ATOM 0 HZ2 LYS S 489 -8.761 0.001 8.402 1.00 0.00 H new ATOM 0 HZ3 LYS S 489 -9.420 -1.090 9.524 1.00 0.00 H new ATOM 557 N VAL S 490 -2.205 -0.829 7.763 1.00 0.00 N ATOM 558 CA VAL S 490 -1.147 0.032 8.294 1.00 0.00 C ATOM 559 C VAL S 490 -1.673 1.200 9.138 1.00 0.00 C ATOM 560 O VAL S 490 -0.959 1.701 10.005 1.00 0.00 O ATOM 561 CB VAL S 490 -0.227 0.542 7.160 1.00 0.00 C ATOM 562 CG1 VAL S 490 0.817 1.525 7.681 1.00 0.00 C ATOM 563 CG2 VAL S 490 0.460 -0.640 6.481 1.00 0.00 C ATOM 0 H VAL S 490 -2.725 -0.439 6.977 1.00 0.00 H new ATOM 0 HA VAL S 490 -0.563 -0.592 8.971 1.00 0.00 H new ATOM 0 HB VAL S 490 -0.847 1.070 6.436 1.00 0.00 H new ATOM 0 HG11 VAL S 490 1.444 1.861 6.855 1.00 0.00 H new ATOM 0 HG12 VAL S 490 0.317 2.383 8.129 1.00 0.00 H new ATOM 0 HG13 VAL S 490 1.437 1.034 8.431 1.00 0.00 H new ATOM 0 HG21 VAL S 490 1.107 -0.275 5.683 1.00 0.00 H new ATOM 0 HG22 VAL S 490 1.058 -1.183 7.213 1.00 0.00 H new ATOM 0 HG23 VAL S 490 -0.293 -1.307 6.061 1.00 0.00 H new ATOM 573 N ASN S 491 -2.907 1.640 8.917 1.00 0.00 N ATOM 574 CA ASN S 491 -3.440 2.739 9.720 1.00 0.00 C ATOM 575 C ASN S 491 -4.972 2.780 9.701 1.00 0.00 C ATOM 576 O ASN S 491 -5.609 2.841 10.752 1.00 0.00 O ATOM 577 CB ASN S 491 -2.835 4.076 9.254 1.00 0.00 C ATOM 578 CG ASN S 491 -3.644 4.763 8.168 1.00 0.00 C ATOM 579 OD1 ASN S 491 -3.919 4.180 7.121 1.00 0.00 O ATOM 580 ND2 ASN S 491 -4.028 6.008 8.417 1.00 0.00 N ATOM 0 H ASN S 491 -3.542 1.268 8.211 1.00 0.00 H new ATOM 0 HA ASN S 491 -3.150 2.567 10.757 1.00 0.00 H new ATOM 0 HB2 ASN S 491 -2.750 4.745 10.110 1.00 0.00 H new ATOM 0 HB3 ASN S 491 -1.824 3.899 8.886 1.00 0.00 H new ATOM 0 HD21 ASN S 491 -4.575 6.521 7.725 1.00 0.00 H new ATOM 0 HD22 ASN S 491 -3.777 6.452 9.300 1.00 0.00 H new ATOM 587 N GLU S 492 -5.546 2.752 8.503 1.00 0.00 N ATOM 588 CA GLU S 492 -7.000 2.792 8.320 1.00 0.00 C ATOM 589 C GLU S 492 -7.309 3.239 6.901 1.00 0.00 C ATOM 590 O GLU S 492 -8.217 2.726 6.248 1.00 0.00 O ATOM 591 CB GLU S 492 -7.661 3.747 9.323 1.00 0.00 C ATOM 592 CG GLU S 492 -8.330 3.038 10.489 1.00 0.00 C ATOM 593 CD GLU S 492 -8.339 3.876 11.753 1.00 0.00 C ATOM 594 OE1 GLU S 492 -8.276 5.119 11.642 1.00 0.00 O ATOM 595 OE2 GLU S 492 -8.408 3.289 12.853 1.00 0.00 O ATOM 0 H GLU S 492 -5.021 2.701 7.630 1.00 0.00 H new ATOM 0 HA GLU S 492 -7.402 1.794 8.494 1.00 0.00 H new ATOM 0 HB2 GLU S 492 -6.907 4.433 9.710 1.00 0.00 H new ATOM 0 HB3 GLU S 492 -8.404 4.351 8.802 1.00 0.00 H new ATOM 0 HG2 GLU S 492 -9.355 2.787 10.217 1.00 0.00 H new ATOM 0 HG3 GLU S 492 -7.812 2.099 10.684 1.00 0.00 H new ATOM 602 N GLU S 493 -6.509 4.184 6.431 1.00 0.00 N ATOM 603 CA GLU S 493 -6.628 4.710 5.080 1.00 0.00 C ATOM 604 C GLU S 493 -5.331 4.434 4.330 1.00 0.00 C ATOM 605 O GLU S 493 -4.983 5.129 3.378 1.00 0.00 O ATOM 606 CB GLU S 493 -6.914 6.213 5.109 1.00 0.00 C ATOM 607 CG GLU S 493 -8.395 6.551 5.070 1.00 0.00 C ATOM 608 CD GLU S 493 -8.692 7.766 4.213 1.00 0.00 C ATOM 609 OE1 GLU S 493 -8.816 7.607 2.980 1.00 0.00 O ATOM 610 OE2 GLU S 493 -8.803 8.875 4.776 1.00 0.00 O ATOM 0 H GLU S 493 -5.758 4.608 6.976 1.00 0.00 H new ATOM 0 HA GLU S 493 -7.459 4.220 4.573 1.00 0.00 H new ATOM 0 HB2 GLU S 493 -6.476 6.640 6.011 1.00 0.00 H new ATOM 0 HB3 GLU S 493 -6.420 6.685 4.260 1.00 0.00 H new ATOM 0 HG2 GLU S 493 -8.949 5.695 4.685 1.00 0.00 H new ATOM 0 HG3 GLU S 493 -8.750 6.731 6.085 1.00 0.00 H new ATOM 617 N TRP S 494 -4.629 3.400 4.793 1.00 0.00 N ATOM 618 CA TRP S 494 -3.361 2.971 4.225 1.00 0.00 C ATOM 619 C TRP S 494 -3.035 1.578 4.733 1.00 0.00 C ATOM 620 O TRP S 494 -3.515 1.168 5.791 1.00 0.00 O ATOM 621 CB TRP S 494 -2.221 3.904 4.634 1.00 0.00 C ATOM 622 CG TRP S 494 -2.278 5.272 4.033 1.00 0.00 C ATOM 623 CD1 TRP S 494 -2.921 6.360 4.543 1.00 0.00 C ATOM 624 CD2 TRP S 494 -1.633 5.709 2.831 1.00 0.00 C ATOM 625 NE1 TRP S 494 -2.715 7.450 3.733 1.00 0.00 N ATOM 626 CE2 TRP S 494 -1.934 7.074 2.674 1.00 0.00 C ATOM 627 CE3 TRP S 494 -0.832 5.085 1.872 1.00 0.00 C ATOM 628 CZ2 TRP S 494 -1.466 7.825 1.601 1.00 0.00 C ATOM 629 CZ3 TRP S 494 -0.364 5.831 0.805 1.00 0.00 C ATOM 630 CH2 TRP S 494 -0.683 7.190 0.679 1.00 0.00 C ATOM 0 H TRP S 494 -4.933 2.832 5.584 1.00 0.00 H new ATOM 0 HA TRP S 494 -3.458 2.984 3.139 1.00 0.00 H new ATOM 0 HB2 TRP S 494 -2.222 4.000 5.720 1.00 0.00 H new ATOM 0 HB3 TRP S 494 -1.275 3.440 4.356 1.00 0.00 H new ATOM 0 HD1 TRP S 494 -3.506 6.364 5.451 1.00 0.00 H new ATOM 0 HE1 TRP S 494 -3.084 8.387 3.895 1.00 0.00 H new ATOM 0 HE3 TRP S 494 -0.582 4.038 1.962 1.00 0.00 H new ATOM 0 HZ2 TRP S 494 -1.713 8.872 1.500 1.00 0.00 H new ATOM 0 HZ3 TRP S 494 0.257 5.359 0.058 1.00 0.00 H new ATOM 0 HH2 TRP S 494 -0.302 7.747 -0.164 1.00 0.00 H new ATOM 641 N LEU S 495 -2.217 0.856 3.991 1.00 0.00 N ATOM 642 CA LEU S 495 -1.834 -0.479 4.390 1.00 0.00 C ATOM 643 C LEU S 495 -0.567 -0.942 3.693 1.00 0.00 C ATOM 644 O LEU S 495 0.046 -0.194 2.934 1.00 0.00 O ATOM 645 CB LEU S 495 -2.977 -1.452 4.150 1.00 0.00 C ATOM 646 CG LEU S 495 -3.940 -1.086 3.027 1.00 0.00 C ATOM 647 CD1 LEU S 495 -3.494 -1.706 1.714 1.00 0.00 C ATOM 648 CD2 LEU S 495 -5.347 -1.533 3.395 1.00 0.00 C ATOM 0 H LEU S 495 -1.808 1.173 3.112 1.00 0.00 H new ATOM 0 HA LEU S 495 -1.616 -0.454 5.458 1.00 0.00 H new ATOM 0 HB2 LEU S 495 -2.554 -2.433 3.934 1.00 0.00 H new ATOM 0 HB3 LEU S 495 -3.547 -1.547 5.074 1.00 0.00 H new ATOM 0 HG LEU S 495 -3.941 -0.004 2.896 1.00 0.00 H new ATOM 0 HD11 LEU S 495 -4.195 -1.432 0.926 1.00 0.00 H new ATOM 0 HD12 LEU S 495 -2.500 -1.340 1.458 1.00 0.00 H new ATOM 0 HD13 LEU S 495 -3.467 -2.791 1.815 1.00 0.00 H new ATOM 0 HD21 LEU S 495 -6.034 -1.270 2.591 1.00 0.00 H new ATOM 0 HD22 LEU S 495 -5.358 -2.613 3.544 1.00 0.00 H new ATOM 0 HD23 LEU S 495 -5.658 -1.037 4.314 1.00 0.00 H new ATOM 660 N GLU S 496 -0.170 -2.177 3.973 1.00 0.00 N ATOM 661 CA GLU S 496 1.037 -2.732 3.386 1.00 0.00 C ATOM 662 C GLU S 496 0.784 -3.189 1.961 1.00 0.00 C ATOM 663 O GLU S 496 -0.186 -3.895 1.682 1.00 0.00 O ATOM 664 CB GLU S 496 1.557 -3.894 4.234 1.00 0.00 C ATOM 665 CG GLU S 496 2.941 -4.375 3.826 1.00 0.00 C ATOM 666 CD GLU S 496 3.452 -5.504 4.699 1.00 0.00 C ATOM 667 OE1 GLU S 496 2.718 -5.922 5.620 1.00 0.00 O ATOM 668 OE2 GLU S 496 4.585 -5.972 4.463 1.00 0.00 O ATOM 0 H GLU S 496 -0.666 -2.809 4.601 1.00 0.00 H new ATOM 0 HA GLU S 496 1.795 -1.949 3.363 1.00 0.00 H new ATOM 0 HB2 GLU S 496 1.582 -3.587 5.280 1.00 0.00 H new ATOM 0 HB3 GLU S 496 0.857 -4.726 4.163 1.00 0.00 H new ATOM 0 HG2 GLU S 496 2.914 -4.708 2.788 1.00 0.00 H new ATOM 0 HG3 GLU S 496 3.640 -3.540 3.874 1.00 0.00 H new ATOM 675 N GLY S 497 1.657 -2.760 1.061 1.00 0.00 N ATOM 676 CA GLY S 497 1.512 -3.107 -0.334 1.00 0.00 C ATOM 677 C GLY S 497 2.690 -3.889 -0.886 1.00 0.00 C ATOM 678 O GLY S 497 3.820 -3.405 -0.888 1.00 0.00 O ATOM 0 H GLY S 497 2.465 -2.176 1.275 1.00 0.00 H new ATOM 0 HA2 GLY S 497 0.603 -3.695 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY S 497 1.386 -2.194 -0.917 1.00 0.00 H new ATOM 682 N GLU S 498 2.416 -5.096 -1.367 1.00 0.00 N ATOM 683 CA GLU S 498 3.450 -5.950 -1.943 1.00 0.00 C ATOM 684 C GLU S 498 2.953 -6.557 -3.251 1.00 0.00 C ATOM 685 O GLU S 498 2.371 -7.641 -3.260 1.00 0.00 O ATOM 686 CB GLU S 498 3.836 -7.058 -0.962 1.00 0.00 C ATOM 687 CG GLU S 498 5.216 -7.643 -1.216 1.00 0.00 C ATOM 688 CD GLU S 498 5.887 -8.126 0.054 1.00 0.00 C ATOM 689 OE1 GLU S 498 6.433 -7.282 0.796 1.00 0.00 O ATOM 690 OE2 GLU S 498 5.868 -9.349 0.308 1.00 0.00 O ATOM 0 H GLU S 498 1.483 -5.507 -1.370 1.00 0.00 H new ATOM 0 HA GLU S 498 4.333 -5.343 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU S 498 3.800 -6.662 0.053 1.00 0.00 H new ATOM 0 HB3 GLU S 498 3.096 -7.856 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU S 498 5.131 -8.474 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU S 498 5.844 -6.889 -1.690 1.00 0.00 H new ATOM 697 N SER S 499 3.170 -5.845 -4.352 1.00 0.00 N ATOM 698 CA SER S 499 2.724 -6.309 -5.658 1.00 0.00 C ATOM 699 C SER S 499 3.852 -7.020 -6.413 1.00 0.00 C ATOM 700 O SER S 499 4.713 -7.657 -5.805 1.00 0.00 O ATOM 701 CB SER S 499 2.178 -5.127 -6.471 1.00 0.00 C ATOM 702 OG SER S 499 1.662 -5.559 -7.719 1.00 0.00 O ATOM 0 H SER S 499 3.651 -4.946 -4.365 1.00 0.00 H new ATOM 0 HA SER S 499 1.925 -7.036 -5.512 1.00 0.00 H new ATOM 0 HB2 SER S 499 1.394 -4.624 -5.905 1.00 0.00 H new ATOM 0 HB3 SER S 499 2.971 -4.398 -6.635 1.00 0.00 H new ATOM 0 HG SER S 499 1.319 -4.787 -8.216 1.00 0.00 H new ATOM 708 N LYS S 500 3.830 -6.920 -7.740 1.00 0.00 N ATOM 709 CA LYS S 500 4.832 -7.562 -8.587 1.00 0.00 C ATOM 710 C LYS S 500 6.252 -7.178 -8.183 1.00 0.00 C ATOM 711 O LYS S 500 6.752 -6.120 -8.566 1.00 0.00 O ATOM 712 CB LYS S 500 4.594 -7.196 -10.053 1.00 0.00 C ATOM 713 CG LYS S 500 3.383 -7.884 -10.662 1.00 0.00 C ATOM 714 CD LYS S 500 3.374 -7.755 -12.177 1.00 0.00 C ATOM 715 CE LYS S 500 2.481 -6.613 -12.635 1.00 0.00 C ATOM 716 NZ LYS S 500 1.717 -6.965 -13.864 1.00 0.00 N ATOM 0 H LYS S 500 3.123 -6.396 -8.255 1.00 0.00 H new ATOM 0 HA LYS S 500 4.729 -8.639 -8.455 1.00 0.00 H new ATOM 0 HB2 LYS S 500 4.467 -6.116 -10.133 1.00 0.00 H new ATOM 0 HB3 LYS S 500 5.480 -7.457 -10.633 1.00 0.00 H new ATOM 0 HG2 LYS S 500 3.384 -8.938 -10.385 1.00 0.00 H new ATOM 0 HG3 LYS S 500 2.471 -7.448 -10.253 1.00 0.00 H new ATOM 0 HD2 LYS S 500 4.390 -7.589 -12.535 1.00 0.00 H new ATOM 0 HD3 LYS S 500 3.028 -8.689 -12.620 1.00 0.00 H new ATOM 0 HE2 LYS S 500 1.785 -6.353 -11.837 1.00 0.00 H new ATOM 0 HE3 LYS S 500 3.090 -5.730 -12.827 1.00 0.00 H new ATOM 0 HZ1 LYS S 500 1.120 -6.161 -14.144 1.00 0.00 H new ATOM 0 HZ2 LYS S 500 2.380 -7.188 -14.633 1.00 0.00 H new ATOM 0 HZ3 LYS S 500 1.116 -7.792 -13.674 1.00 0.00 H new ATOM 730 N GLY S 501 6.897 -8.057 -7.421 1.00 0.00 N ATOM 731 CA GLY S 501 8.266 -7.819 -6.981 1.00 0.00 C ATOM 732 C GLY S 501 8.516 -6.389 -6.541 1.00 0.00 C ATOM 733 O GLY S 501 9.493 -5.768 -6.957 1.00 0.00 O ATOM 0 H GLY S 501 6.495 -8.937 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY S 501 8.497 -8.491 -6.155 1.00 0.00 H new ATOM 0 HA3 GLY S 501 8.949 -8.066 -7.793 1.00 0.00 H new ATOM 737 N LYS S 502 7.635 -5.868 -5.698 1.00 0.00 N ATOM 738 CA LYS S 502 7.769 -4.506 -5.198 1.00 0.00 C ATOM 739 C LYS S 502 7.067 -4.354 -3.857 1.00 0.00 C ATOM 740 O LYS S 502 5.885 -4.667 -3.726 1.00 0.00 O ATOM 741 CB LYS S 502 7.197 -3.506 -6.204 1.00 0.00 C ATOM 742 CG LYS S 502 8.222 -3.007 -7.209 1.00 0.00 C ATOM 743 CD LYS S 502 7.729 -3.157 -8.640 1.00 0.00 C ATOM 744 CE LYS S 502 7.212 -1.839 -9.196 1.00 0.00 C ATOM 745 NZ LYS S 502 7.805 -1.527 -10.526 1.00 0.00 N ATOM 0 H LYS S 502 6.819 -6.368 -5.346 1.00 0.00 H new ATOM 0 HA LYS S 502 8.830 -4.299 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS S 502 6.371 -3.974 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS S 502 6.784 -2.654 -5.664 1.00 0.00 H new ATOM 0 HG2 LYS S 502 8.446 -1.959 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS S 502 9.152 -3.561 -7.085 1.00 0.00 H new ATOM 0 HD2 LYS S 502 8.541 -3.524 -9.268 1.00 0.00 H new ATOM 0 HD3 LYS S 502 6.936 -3.904 -8.676 1.00 0.00 H new ATOM 0 HE2 LYS S 502 6.126 -1.883 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS S 502 7.443 -1.035 -8.498 1.00 0.00 H new ATOM 0 HZ1 LYS S 502 7.427 -0.621 -10.871 1.00 0.00 H new ATOM 0 HZ2 LYS S 502 8.839 -1.460 -10.438 1.00 0.00 H new ATOM 0 HZ3 LYS S 502 7.563 -2.282 -11.200 1.00 0.00 H new ATOM 759 N VAL S 503 7.804 -3.878 -2.862 1.00 0.00 N ATOM 760 CA VAL S 503 7.245 -3.694 -1.532 1.00 0.00 C ATOM 761 C VAL S 503 7.036 -2.218 -1.215 1.00 0.00 C ATOM 762 O VAL S 503 7.920 -1.387 -1.430 1.00 0.00 O ATOM 763 CB VAL S 503 8.135 -4.325 -0.446 1.00 0.00 C ATOM 764 CG1 VAL S 503 7.434 -4.295 0.906 1.00 0.00 C ATOM 765 CG2 VAL S 503 8.517 -5.748 -0.825 1.00 0.00 C ATOM 0 H VAL S 503 8.785 -3.614 -2.951 1.00 0.00 H new ATOM 0 HA VAL S 503 6.279 -4.199 -1.531 1.00 0.00 H new ATOM 0 HB VAL S 503 9.050 -3.737 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL S 503 8.079 -4.745 1.660 1.00 0.00 H new ATOM 0 HG12 VAL S 503 7.219 -3.263 1.182 1.00 0.00 H new ATOM 0 HG13 VAL S 503 6.501 -4.856 0.845 1.00 0.00 H new ATOM 0 HG21 VAL S 503 9.146 -6.176 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL S 503 7.615 -6.350 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL S 503 9.064 -5.739 -1.768 1.00 0.00 H new ATOM 775 N GLY S 504 5.856 -1.913 -0.701 1.00 0.00 N ATOM 776 CA GLY S 504 5.506 -0.554 -0.346 1.00 0.00 C ATOM 777 C GLY S 504 4.185 -0.517 0.387 1.00 0.00 C ATOM 778 O GLY S 504 3.833 -1.481 1.063 1.00 0.00 O ATOM 0 H GLY S 504 5.121 -2.597 -0.520 1.00 0.00 H new ATOM 0 HA2 GLY S 504 6.287 -0.124 0.280 1.00 0.00 H new ATOM 0 HA3 GLY S 504 5.446 0.058 -1.246 1.00 0.00 H new ATOM 782 N ILE S 505 3.443 0.573 0.245 1.00 0.00 N ATOM 783 CA ILE S 505 2.146 0.692 0.899 1.00 0.00 C ATOM 784 C ILE S 505 1.191 1.535 0.074 1.00 0.00 C ATOM 785 O ILE S 505 1.611 2.284 -0.805 1.00 0.00 O ATOM 786 CB ILE S 505 2.263 1.292 2.309 1.00 0.00 C ATOM 787 CG1 ILE S 505 3.181 2.516 2.306 1.00 0.00 C ATOM 788 CG2 ILE S 505 2.769 0.237 3.277 1.00 0.00 C ATOM 789 CD1 ILE S 505 2.755 3.588 3.289 1.00 0.00 C ATOM 0 H ILE S 505 3.714 1.383 -0.313 1.00 0.00 H new ATOM 0 HA ILE S 505 1.751 -0.320 0.987 1.00 0.00 H new ATOM 0 HB ILE S 505 1.276 1.620 2.634 1.00 0.00 H new ATOM 0 HG12 ILE S 505 4.197 2.200 2.542 1.00 0.00 H new ATOM 0 HG13 ILE S 505 3.204 2.941 1.303 1.00 0.00 H new ATOM 0 HG21 ILE S 505 2.850 0.668 4.275 1.00 0.00 H new ATOM 0 HG22 ILE S 505 2.072 -0.601 3.299 1.00 0.00 H new ATOM 0 HG23 ILE S 505 3.749 -0.114 2.953 1.00 0.00 H new ATOM 0 HD11 ILE S 505 3.449 4.427 3.235 1.00 0.00 H new ATOM 0 HD12 ILE S 505 1.751 3.931 3.041 1.00 0.00 H new ATOM 0 HD13 ILE S 505 2.759 3.178 4.299 1.00 0.00 H new ATOM 801 N PHE S 506 -0.098 1.412 0.355 1.00 0.00 N ATOM 802 CA PHE S 506 -1.096 2.177 -0.383 1.00 0.00 C ATOM 803 C PHE S 506 -2.307 2.510 0.481 1.00 0.00 C ATOM 804 O PHE S 506 -2.561 1.856 1.493 1.00 0.00 O ATOM 805 CB PHE S 506 -1.521 1.430 -1.651 1.00 0.00 C ATOM 806 CG PHE S 506 -2.029 0.032 -1.421 1.00 0.00 C ATOM 807 CD1 PHE S 506 -1.230 -0.928 -0.818 1.00 0.00 C ATOM 808 CD2 PHE S 506 -3.305 -0.322 -1.825 1.00 0.00 C ATOM 809 CE1 PHE S 506 -1.699 -2.214 -0.625 1.00 0.00 C ATOM 810 CE2 PHE S 506 -3.777 -1.606 -1.632 1.00 0.00 C ATOM 811 CZ PHE S 506 -2.973 -2.552 -1.033 1.00 0.00 C ATOM 0 H PHE S 506 -0.475 0.799 1.078 1.00 0.00 H new ATOM 0 HA PHE S 506 -0.635 3.121 -0.674 1.00 0.00 H new ATOM 0 HB2 PHE S 506 -2.299 2.006 -2.151 1.00 0.00 H new ATOM 0 HB3 PHE S 506 -0.671 1.385 -2.331 1.00 0.00 H new ATOM 0 HD1 PHE S 506 -0.232 -0.668 -0.496 1.00 0.00 H new ATOM 0 HD2 PHE S 506 -3.939 0.414 -2.297 1.00 0.00 H new ATOM 0 HE1 PHE S 506 -1.068 -2.954 -0.155 1.00 0.00 H new ATOM 0 HE2 PHE S 506 -4.775 -1.868 -1.950 1.00 0.00 H new ATOM 0 HZ PHE S 506 -3.340 -3.557 -0.883 1.00 0.00 H new ATOM 821 N PRO S 507 -3.059 3.559 0.096 1.00 0.00 N ATOM 822 CA PRO S 507 -4.240 4.015 0.842 1.00 0.00 C ATOM 823 C PRO S 507 -5.456 3.101 0.707 1.00 0.00 C ATOM 824 O PRO S 507 -6.536 3.421 1.207 1.00 0.00 O ATOM 825 CB PRO S 507 -4.537 5.381 0.220 1.00 0.00 C ATOM 826 CG PRO S 507 -4.013 5.281 -1.168 1.00 0.00 C ATOM 827 CD PRO S 507 -2.798 4.402 -1.089 1.00 0.00 C ATOM 0 HA PRO S 507 -4.041 4.032 1.913 1.00 0.00 H new ATOM 0 HB2 PRO S 507 -5.606 5.596 0.226 1.00 0.00 H new ATOM 0 HB3 PRO S 507 -4.047 6.183 0.772 1.00 0.00 H new ATOM 0 HG2 PRO S 507 -4.760 4.855 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO S 507 -3.758 6.265 -1.561 1.00 0.00 H new ATOM 0 HD2 PRO S 507 -2.678 3.801 -1.990 1.00 0.00 H new ATOM 0 HD3 PRO S 507 -1.886 4.987 -0.972 1.00 0.00 H new ATOM 835 N LYS S 508 -5.281 1.962 0.050 1.00 0.00 N ATOM 836 CA LYS S 508 -6.347 1.004 -0.132 1.00 0.00 C ATOM 837 C LYS S 508 -7.628 1.626 -0.698 1.00 0.00 C ATOM 838 O LYS S 508 -8.654 0.953 -0.794 1.00 0.00 O ATOM 839 CB LYS S 508 -6.626 0.337 1.193 1.00 0.00 C ATOM 840 CG LYS S 508 -7.141 -1.074 1.037 1.00 0.00 C ATOM 841 CD LYS S 508 -8.068 -1.471 2.178 1.00 0.00 C ATOM 842 CE LYS S 508 -9.507 -1.608 1.707 1.00 0.00 C ATOM 843 NZ LYS S 508 -9.881 -3.030 1.472 1.00 0.00 N ATOM 0 H LYS S 508 -4.394 1.683 -0.369 1.00 0.00 H new ATOM 0 HA LYS S 508 -6.017 0.274 -0.871 1.00 0.00 H new ATOM 0 HB2 LYS S 508 -5.713 0.323 1.788 1.00 0.00 H new ATOM 0 HB3 LYS S 508 -7.357 0.927 1.746 1.00 0.00 H new ATOM 0 HG2 LYS S 508 -7.673 -1.163 0.090 1.00 0.00 H new ATOM 0 HG3 LYS S 508 -6.299 -1.765 0.996 1.00 0.00 H new ATOM 0 HD2 LYS S 508 -7.734 -2.415 2.608 1.00 0.00 H new ATOM 0 HD3 LYS S 508 -8.013 -0.723 2.969 1.00 0.00 H new ATOM 0 HE2 LYS S 508 -10.175 -1.175 2.451 1.00 0.00 H new ATOM 0 HE3 LYS S 508 -9.644 -1.040 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS S 508 -10.869 -3.081 1.152 1.00 0.00 H new ATOM 0 HZ2 LYS S 508 -9.260 -3.436 0.744 1.00 0.00 H new ATOM 0 HZ3 LYS S 508 -9.775 -3.567 2.356 1.00 0.00 H new ATOM 857 N VAL S 509 -7.564 2.891 -1.101 1.00 0.00 N ATOM 858 CA VAL S 509 -8.725 3.559 -1.684 1.00 0.00 C ATOM 859 C VAL S 509 -8.729 3.364 -3.198 1.00 0.00 C ATOM 860 O VAL S 509 -9.744 3.568 -3.861 1.00 0.00 O ATOM 861 CB VAL S 509 -8.774 5.073 -1.352 1.00 0.00 C ATOM 862 CG1 VAL S 509 -7.400 5.717 -1.469 1.00 0.00 C ATOM 863 CG2 VAL S 509 -9.771 5.791 -2.252 1.00 0.00 C ATOM 0 H VAL S 509 -6.728 3.472 -1.036 1.00 0.00 H new ATOM 0 HA VAL S 509 -9.611 3.103 -1.243 1.00 0.00 H new ATOM 0 HB VAL S 509 -9.102 5.169 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL S 509 -7.474 6.778 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL S 509 -6.712 5.235 -0.775 1.00 0.00 H new ATOM 0 HG13 VAL S 509 -7.029 5.600 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL S 509 -9.789 6.852 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL S 509 -9.474 5.669 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL S 509 -10.764 5.367 -2.106 1.00 0.00 H new ATOM 873 N PHE S 510 -7.582 2.951 -3.728 1.00 0.00 N ATOM 874 CA PHE S 510 -7.434 2.706 -5.152 1.00 0.00 C ATOM 875 C PHE S 510 -7.656 1.231 -5.462 1.00 0.00 C ATOM 876 O PHE S 510 -7.271 0.745 -6.524 1.00 0.00 O ATOM 877 CB PHE S 510 -6.039 3.136 -5.607 1.00 0.00 C ATOM 878 CG PHE S 510 -5.803 4.610 -5.464 1.00 0.00 C ATOM 879 CD1 PHE S 510 -5.882 5.224 -4.224 1.00 0.00 C ATOM 880 CD2 PHE S 510 -5.519 5.383 -6.574 1.00 0.00 C ATOM 881 CE1 PHE S 510 -5.679 6.584 -4.099 1.00 0.00 C ATOM 882 CE2 PHE S 510 -5.324 6.742 -6.456 1.00 0.00 C ATOM 883 CZ PHE S 510 -5.405 7.343 -5.216 1.00 0.00 C ATOM 0 H PHE S 510 -6.737 2.779 -3.184 1.00 0.00 H new ATOM 0 HA PHE S 510 -8.181 3.289 -5.691 1.00 0.00 H new ATOM 0 HB2 PHE S 510 -5.291 2.596 -5.026 1.00 0.00 H new ATOM 0 HB3 PHE S 510 -5.899 2.851 -6.650 1.00 0.00 H new ATOM 0 HD1 PHE S 510 -6.104 4.633 -3.348 1.00 0.00 H new ATOM 0 HD2 PHE S 510 -5.449 4.916 -7.545 1.00 0.00 H new ATOM 0 HE1 PHE S 510 -5.735 7.052 -3.127 1.00 0.00 H new ATOM 0 HE2 PHE S 510 -5.108 7.336 -7.332 1.00 0.00 H new ATOM 0 HZ PHE S 510 -5.254 8.408 -5.121 1.00 0.00 H new ATOM 893 N VAL S 511 -8.271 0.522 -4.517 1.00 0.00 N ATOM 894 CA VAL S 511 -8.535 -0.900 -4.671 1.00 0.00 C ATOM 895 C VAL S 511 -9.808 -1.297 -3.926 1.00 0.00 C ATOM 896 O VAL S 511 -9.810 -2.249 -3.143 1.00 0.00 O ATOM 897 CB VAL S 511 -7.359 -1.736 -4.129 1.00 0.00 C ATOM 898 CG1 VAL S 511 -6.091 -1.470 -4.921 1.00 0.00 C ATOM 899 CG2 VAL S 511 -7.129 -1.430 -2.661 1.00 0.00 C ATOM 0 H VAL S 511 -8.596 0.915 -3.634 1.00 0.00 H new ATOM 0 HA VAL S 511 -8.660 -1.098 -5.736 1.00 0.00 H new ATOM 0 HB VAL S 511 -7.615 -2.790 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL S 511 -5.277 -2.072 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL S 511 -6.253 -1.732 -5.966 1.00 0.00 H new ATOM 0 HG13 VAL S 511 -5.831 -0.414 -4.848 1.00 0.00 H new ATOM 0 HG21 VAL S 511 -6.296 -2.027 -2.291 1.00 0.00 H new ATOM 0 HG22 VAL S 511 -6.898 -0.371 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL S 511 -8.028 -1.671 -2.094 1.00 0.00 H new ATOM 909 N GLU S 512 -10.887 -0.561 -4.166 1.00 0.00 N ATOM 910 CA GLU S 512 -12.163 -0.834 -3.509 1.00 0.00 C ATOM 911 C GLU S 512 -12.854 -2.070 -4.082 1.00 0.00 C ATOM 912 O GLU S 512 -14.034 -2.302 -3.825 1.00 0.00 O ATOM 913 CB GLU S 512 -13.086 0.375 -3.635 1.00 0.00 C ATOM 914 CG GLU S 512 -13.477 0.682 -5.072 1.00 0.00 C ATOM 915 CD GLU S 512 -14.339 1.922 -5.190 1.00 0.00 C ATOM 916 OE1 GLU S 512 -14.302 2.763 -4.268 1.00 0.00 O ATOM 917 OE2 GLU S 512 -15.052 2.053 -6.208 1.00 0.00 O ATOM 0 H GLU S 512 -10.905 0.230 -4.810 1.00 0.00 H new ATOM 0 HA GLU S 512 -11.950 -1.031 -2.458 1.00 0.00 H new ATOM 0 HB2 GLU S 512 -13.988 0.198 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU S 512 -12.593 1.247 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU S 512 -12.575 0.813 -5.670 1.00 0.00 H new ATOM 0 HG3 GLU S 512 -14.014 -0.170 -5.488 1.00 0.00 H new ATOM 986 N LYS P 360 -11.186 8.969 -15.256 1.00 0.00 N ATOM 987 CA LYS P 360 -11.659 8.751 -13.894 1.00 0.00 C ATOM 988 C LYS P 360 -10.692 9.337 -12.876 1.00 0.00 C ATOM 989 O LYS P 360 -9.816 8.641 -12.360 1.00 0.00 O ATOM 990 CB LYS P 360 -11.854 7.257 -13.628 1.00 0.00 C ATOM 991 CG LYS P 360 -13.252 6.755 -13.957 1.00 0.00 C ATOM 992 CD LYS P 360 -13.876 6.030 -12.775 1.00 0.00 C ATOM 993 CE LYS P 360 -15.336 5.696 -13.035 1.00 0.00 C ATOM 994 NZ LYS P 360 -16.064 5.368 -11.779 1.00 0.00 N ATOM 0 HA LYS P 360 -12.617 9.260 -13.789 1.00 0.00 H new ATOM 0 HB2 LYS P 360 -11.128 6.695 -14.215 1.00 0.00 H new ATOM 0 HB3 LYS P 360 -11.642 7.053 -12.578 1.00 0.00 H new ATOM 0 HG2 LYS P 360 -13.883 7.596 -14.244 1.00 0.00 H new ATOM 0 HG3 LYS P 360 -13.206 6.083 -14.814 1.00 0.00 H new ATOM 0 HD2 LYS P 360 -13.322 5.113 -12.575 1.00 0.00 H new ATOM 0 HD3 LYS P 360 -13.797 6.651 -11.883 1.00 0.00 H new ATOM 0 HE2 LYS P 360 -15.820 6.541 -13.525 1.00 0.00 H new ATOM 0 HE3 LYS P 360 -15.398 4.852 -13.721 1.00 0.00 H new ATOM 0 HZ1 LYS P 360 -17.056 5.146 -12.000 1.00 0.00 H new ATOM 0 HZ2 LYS P 360 -15.619 4.546 -11.324 1.00 0.00 H new ATOM 0 HZ3 LYS P 360 -16.027 6.183 -11.134 1.00 0.00 H new ATOM 1008 N PRO P 361 -10.855 10.628 -12.558 1.00 0.00 N ATOM 1009 CA PRO P 361 -10.020 11.330 -11.581 1.00 0.00 C ATOM 1010 C PRO P 361 -9.795 10.497 -10.322 1.00 0.00 C ATOM 1011 O PRO P 361 -10.671 10.407 -9.463 1.00 0.00 O ATOM 1012 CB PRO P 361 -10.841 12.593 -11.253 1.00 0.00 C ATOM 1013 CG PRO P 361 -12.161 12.397 -11.935 1.00 0.00 C ATOM 1014 CD PRO P 361 -11.882 11.516 -13.104 1.00 0.00 C ATOM 0 HA PRO P 361 -9.024 11.545 -11.967 1.00 0.00 H new ATOM 0 HB2 PRO P 361 -10.968 12.710 -10.177 1.00 0.00 H new ATOM 0 HB3 PRO P 361 -10.341 13.492 -11.615 1.00 0.00 H new ATOM 0 HG2 PRO P 361 -12.885 11.938 -11.262 1.00 0.00 H new ATOM 0 HG3 PRO P 361 -12.582 13.350 -12.254 1.00 0.00 H new ATOM 0 HD2 PRO P 361 -12.768 10.969 -13.427 1.00 0.00 H new ATOM 0 HD3 PRO P 361 -11.523 12.079 -13.966 1.00 0.00 H new ATOM 1022 N GLN P 362 -8.620 9.880 -10.226 1.00 0.00 N ATOM 1023 CA GLN P 362 -8.287 9.045 -9.075 1.00 0.00 C ATOM 1024 C GLN P 362 -8.619 9.738 -7.763 1.00 0.00 C ATOM 1025 O GLN P 362 -8.736 10.962 -7.697 1.00 0.00 O ATOM 1026 CB GLN P 362 -6.799 8.675 -9.077 1.00 0.00 C ATOM 1027 CG GLN P 362 -5.871 9.877 -9.151 1.00 0.00 C ATOM 1028 CD GLN P 362 -5.525 10.263 -10.575 1.00 0.00 C ATOM 1029 OE1 GLN P 362 -5.664 9.461 -11.499 1.00 0.00 O ATOM 1030 NE2 GLN P 362 -5.068 11.495 -10.760 1.00 0.00 N ATOM 0 H GLN P 362 -7.884 9.942 -10.930 1.00 0.00 H new ATOM 0 HA GLN P 362 -8.890 8.141 -9.160 1.00 0.00 H new ATOM 0 HB2 GLN P 362 -6.573 8.108 -8.174 1.00 0.00 H new ATOM 0 HB3 GLN P 362 -6.598 8.019 -9.924 1.00 0.00 H new ATOM 0 HG2 GLN P 362 -6.341 10.725 -8.653 1.00 0.00 H new ATOM 0 HG3 GLN P 362 -4.953 9.656 -8.606 1.00 0.00 H new ATOM 0 HE21 GLN P 362 -4.969 12.127 -9.965 1.00 0.00 H new ATOM 0 HE22 GLN P 362 -4.816 11.810 -11.697 1.00 0.00 H new ATOM 1039 N PRO P 363 -8.762 8.945 -6.696 1.00 0.00 N ATOM 1040 CA PRO P 363 -9.071 9.459 -5.368 1.00 0.00 C ATOM 1041 C PRO P 363 -7.930 10.278 -4.789 1.00 0.00 C ATOM 1042 O PRO P 363 -6.811 9.785 -4.661 1.00 0.00 O ATOM 1043 CB PRO P 363 -9.281 8.207 -4.511 1.00 0.00 C ATOM 1044 CG PRO P 363 -8.781 7.044 -5.304 1.00 0.00 C ATOM 1045 CD PRO P 363 -8.627 7.481 -6.728 1.00 0.00 C ATOM 0 HA PRO P 363 -9.937 10.120 -5.399 1.00 0.00 H new ATOM 0 HB2 PRO P 363 -8.741 8.291 -3.568 1.00 0.00 H new ATOM 0 HB3 PRO P 363 -10.335 8.081 -4.265 1.00 0.00 H new ATOM 0 HG2 PRO P 363 -7.827 6.696 -4.908 1.00 0.00 H new ATOM 0 HG3 PRO P 363 -9.479 6.209 -5.236 1.00 0.00 H new ATOM 0 HD2 PRO P 363 -7.658 7.183 -7.129 1.00 0.00 H new ATOM 0 HD3 PRO P 363 -9.388 7.029 -7.364 1.00 0.00 H new ATOM 1053 N ALA P 364 -8.213 11.522 -4.407 1.00 0.00 N ATOM 1054 CA ALA P 364 -7.187 12.366 -3.808 1.00 0.00 C ATOM 1055 C ALA P 364 -6.513 11.597 -2.680 1.00 0.00 C ATOM 1056 O ALA P 364 -7.131 11.334 -1.648 1.00 0.00 O ATOM 1057 CB ALA P 364 -7.794 13.663 -3.292 1.00 0.00 C ATOM 0 H ALA P 364 -9.129 11.960 -4.500 1.00 0.00 H new ATOM 0 HA ALA P 364 -6.444 12.627 -4.561 1.00 0.00 H new ATOM 0 HB1 ALA P 364 -7.012 14.279 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA P 364 -8.256 14.203 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA P 364 -8.549 13.437 -2.539 1.00 0.00 H new ATOM 1063 N VAL P 365 -5.266 11.195 -2.894 1.00 0.00 N ATOM 1064 CA VAL P 365 -4.554 10.408 -1.893 1.00 0.00 C ATOM 1065 C VAL P 365 -4.664 11.048 -0.507 1.00 0.00 C ATOM 1066 O VAL P 365 -4.520 12.261 -0.355 1.00 0.00 O ATOM 1067 CB VAL P 365 -3.066 10.177 -2.243 1.00 0.00 C ATOM 1068 CG1 VAL P 365 -2.606 8.852 -1.672 1.00 0.00 C ATOM 1069 CG2 VAL P 365 -2.833 10.185 -3.740 1.00 0.00 C ATOM 0 H VAL P 365 -4.732 11.397 -3.739 1.00 0.00 H new ATOM 0 HA VAL P 365 -5.040 9.432 -1.885 1.00 0.00 H new ATOM 0 HB VAL P 365 -2.493 10.995 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL P 365 -1.557 8.693 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL P 365 -2.724 8.862 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL P 365 -3.205 8.046 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL P 365 -1.775 10.019 -3.944 1.00 0.00 H new ATOM 0 HG22 VAL P 365 -3.421 9.393 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL P 365 -3.135 11.149 -4.150 1.00 0.00 H new ATOM 1079 N PRO P 366 -4.953 10.225 0.515 1.00 0.00 N ATOM 1080 CA PRO P 366 -5.125 10.690 1.899 1.00 0.00 C ATOM 1081 C PRO P 366 -3.810 11.043 2.589 1.00 0.00 C ATOM 1082 O PRO P 366 -2.729 10.821 2.042 1.00 0.00 O ATOM 1083 CB PRO P 366 -5.778 9.488 2.585 1.00 0.00 C ATOM 1084 CG PRO P 366 -5.315 8.305 1.809 1.00 0.00 C ATOM 1085 CD PRO P 366 -5.162 8.771 0.387 1.00 0.00 C ATOM 0 HA PRO P 366 -5.708 11.610 1.942 1.00 0.00 H new ATOM 0 HB2 PRO P 366 -5.476 9.418 3.630 1.00 0.00 H new ATOM 0 HB3 PRO P 366 -6.865 9.568 2.572 1.00 0.00 H new ATOM 0 HG2 PRO P 366 -4.369 7.929 2.199 1.00 0.00 H new ATOM 0 HG3 PRO P 366 -6.035 7.489 1.876 1.00 0.00 H new ATOM 0 HD2 PRO P 366 -4.318 8.287 -0.104 1.00 0.00 H new ATOM 0 HD3 PRO P 366 -6.048 8.545 -0.206 1.00 0.00 H new ATOM 1093 N PRO P 367 -3.892 11.596 3.817 1.00 0.00 N ATOM 1094 CA PRO P 367 -2.711 11.978 4.603 1.00 0.00 C ATOM 1095 C PRO P 367 -1.901 10.766 5.033 1.00 0.00 C ATOM 1096 O PRO P 367 -2.113 10.202 6.105 1.00 0.00 O ATOM 1097 CB PRO P 367 -3.306 12.675 5.822 1.00 0.00 C ATOM 1098 CG PRO P 367 -4.647 12.060 5.954 1.00 0.00 C ATOM 1099 CD PRO P 367 -5.138 11.883 4.549 1.00 0.00 C ATOM 0 HA PRO P 367 -2.023 12.603 4.033 1.00 0.00 H new ATOM 0 HB2 PRO P 367 -2.700 12.511 6.713 1.00 0.00 H new ATOM 0 HB3 PRO P 367 -3.372 13.753 5.675 1.00 0.00 H new ATOM 0 HG2 PRO P 367 -4.592 11.104 6.475 1.00 0.00 H new ATOM 0 HG3 PRO P 367 -5.318 12.699 6.528 1.00 0.00 H new ATOM 0 HD2 PRO P 367 -5.855 11.066 4.468 1.00 0.00 H new ATOM 0 HD3 PRO P 367 -5.633 12.779 4.175 1.00 0.00 H new ATOM 1107 N ARG P 368 -0.983 10.377 4.169 1.00 0.00 N ATOM 1108 CA ARG P 368 -0.112 9.228 4.398 1.00 0.00 C ATOM 1109 C ARG P 368 0.359 9.142 5.854 1.00 0.00 C ATOM 1110 O ARG P 368 0.641 10.155 6.496 1.00 0.00 O ATOM 1111 CB ARG P 368 1.074 9.301 3.435 1.00 0.00 C ATOM 1112 CG ARG P 368 1.850 8.003 3.294 1.00 0.00 C ATOM 1113 CD ARG P 368 2.912 7.855 4.375 1.00 0.00 C ATOM 1114 NE ARG P 368 3.646 9.097 4.602 1.00 0.00 N ATOM 1115 CZ ARG P 368 4.500 9.627 3.728 1.00 0.00 C ATOM 1116 NH1 ARG P 368 4.739 9.021 2.572 1.00 0.00 N ATOM 1117 NH2 ARG P 368 5.119 10.765 4.012 1.00 0.00 N ATOM 0 H ARG P 368 -0.815 10.849 3.281 1.00 0.00 H new ATOM 0 HA ARG P 368 -0.680 8.318 4.207 1.00 0.00 H new ATOM 0 HB2 ARG P 368 0.710 9.601 2.452 1.00 0.00 H new ATOM 0 HB3 ARG P 368 1.755 10.082 3.775 1.00 0.00 H new ATOM 0 HG2 ARG P 368 1.160 7.161 3.345 1.00 0.00 H new ATOM 0 HG3 ARG P 368 2.324 7.968 2.313 1.00 0.00 H new ATOM 0 HD2 ARG P 368 2.439 7.539 5.305 1.00 0.00 H new ATOM 0 HD3 ARG P 368 3.611 7.069 4.090 1.00 0.00 H new ATOM 0 HE ARG P 368 3.496 9.588 5.483 1.00 0.00 H new ATOM 0 HH11 ARG P 368 4.268 8.144 2.349 1.00 0.00 H new ATOM 0 HH12 ARG P 368 5.394 9.432 1.907 1.00 0.00 H new ATOM 0 HH21 ARG P 368 4.941 11.235 4.900 1.00 0.00 H new ATOM 0 HH22 ARG P 368 5.773 11.171 3.343 1.00 0.00 H new ATOM 1131 N PRO P 369 0.431 7.908 6.383 1.00 0.00 N ATOM 1132 CA PRO P 369 0.847 7.631 7.766 1.00 0.00 C ATOM 1133 C PRO P 369 2.137 8.343 8.149 1.00 0.00 C ATOM 1134 O PRO P 369 2.773 8.989 7.317 1.00 0.00 O ATOM 1135 CB PRO P 369 1.040 6.118 7.762 1.00 0.00 C ATOM 1136 CG PRO P 369 0.078 5.637 6.733 1.00 0.00 C ATOM 1137 CD PRO P 369 0.100 6.671 5.659 1.00 0.00 C ATOM 0 HA PRO P 369 0.118 7.985 8.495 1.00 0.00 H new ATOM 0 HB2 PRO P 369 2.065 5.847 7.509 1.00 0.00 H new ATOM 0 HB3 PRO P 369 0.828 5.686 8.740 1.00 0.00 H new ATOM 0 HG2 PRO P 369 0.372 4.661 6.346 1.00 0.00 H new ATOM 0 HG3 PRO P 369 -0.922 5.526 7.151 1.00 0.00 H new ATOM 0 HD2 PRO P 369 0.843 6.441 4.895 1.00 0.00 H new ATOM 0 HD3 PRO P 369 -0.863 6.746 5.154 1.00 0.00 H new ATOM 1145 N SER P 370 2.518 8.216 9.416 1.00 0.00 N ATOM 1146 CA SER P 370 3.733 8.846 9.916 1.00 0.00 C ATOM 1147 C SER P 370 4.935 7.918 9.768 1.00 0.00 C ATOM 1148 O SER P 370 5.914 8.040 10.503 1.00 0.00 O ATOM 1149 CB SER P 370 3.559 9.243 11.383 1.00 0.00 C ATOM 1150 OG SER P 370 2.570 10.247 11.527 1.00 0.00 O ATOM 0 H SER P 370 2.002 7.682 10.115 1.00 0.00 H new ATOM 0 HA SER P 370 3.916 9.741 9.321 1.00 0.00 H new ATOM 0 HB2 SER P 370 3.280 8.367 11.969 1.00 0.00 H new ATOM 0 HB3 SER P 370 4.508 9.604 11.780 1.00 0.00 H new ATOM 0 HG SER P 370 2.477 10.481 12.474 1.00 0.00 H new ATOM 1156 N ALA P 371 4.856 6.994 8.810 1.00 0.00 N ATOM 1157 CA ALA P 371 5.936 6.045 8.558 1.00 0.00 C ATOM 1158 C ALA P 371 6.095 5.056 9.709 1.00 0.00 C ATOM 1159 O ALA P 371 5.948 3.850 9.531 1.00 0.00 O ATOM 1160 CB ALA P 371 7.243 6.784 8.308 1.00 0.00 C ATOM 0 H ALA P 371 4.050 6.884 8.194 1.00 0.00 H new ATOM 0 HA ALA P 371 5.675 5.475 7.666 1.00 0.00 H new ATOM 0 HB1 ALA P 371 8.039 6.063 8.122 1.00 0.00 H new ATOM 0 HB2 ALA P 371 7.133 7.435 7.441 1.00 0.00 H new ATOM 0 HB3 ALA P 371 7.495 7.384 9.182 1.00 0.00 H new ATOM 1166 N ASP P 372 6.408 5.569 10.888 1.00 0.00 N ATOM 1167 CA ASP P 372 6.599 4.725 12.065 1.00 0.00 C ATOM 1168 C ASP P 372 5.491 3.684 12.215 1.00 0.00 C ATOM 1169 O ASP P 372 5.781 2.490 12.254 1.00 0.00 O ATOM 1170 CB ASP P 372 6.692 5.581 13.329 1.00 0.00 C ATOM 1171 CG ASP P 372 8.087 6.128 13.557 1.00 0.00 C ATOM 1172 OD1 ASP P 372 8.482 7.069 12.840 1.00 0.00 O ATOM 1173 OD2 ASP P 372 8.786 5.613 14.457 1.00 0.00 O ATOM 0 H ASP P 372 6.536 6.566 11.059 1.00 0.00 H new ATOM 0 HA ASP P 372 7.537 4.187 11.925 1.00 0.00 H new ATOM 0 HB2 ASP P 372 5.988 6.410 13.256 1.00 0.00 H new ATOM 0 HB3 ASP P 372 6.394 4.984 14.191 1.00 0.00 H new ATOM 1178 N LEU P 373 4.224 4.105 12.299 1.00 0.00 N ATOM 1179 CA LEU P 373 3.161 3.115 12.438 1.00 0.00 C ATOM 1180 C LEU P 373 3.239 2.121 11.288 1.00 0.00 C ATOM 1181 O LEU P 373 2.872 0.955 11.437 1.00 0.00 O ATOM 1182 CB LEU P 373 1.756 3.734 12.590 1.00 0.00 C ATOM 1183 CG LEU P 373 1.179 4.546 11.421 1.00 0.00 C ATOM 1184 CD1 LEU P 373 1.334 3.828 10.097 1.00 0.00 C ATOM 1185 CD2 LEU P 373 -0.290 4.817 11.677 1.00 0.00 C ATOM 0 H LEU P 373 3.922 5.079 12.274 1.00 0.00 H new ATOM 0 HA LEU P 373 3.324 2.583 13.375 1.00 0.00 H new ATOM 0 HB2 LEU P 373 1.059 2.924 12.806 1.00 0.00 H new ATOM 0 HB3 LEU P 373 1.773 4.382 13.466 1.00 0.00 H new ATOM 0 HG LEU P 373 1.736 5.481 11.358 1.00 0.00 H new ATOM 0 HD11 LEU P 373 0.912 4.440 9.300 1.00 0.00 H new ATOM 0 HD12 LEU P 373 2.392 3.654 9.899 1.00 0.00 H new ATOM 0 HD13 LEU P 373 0.810 2.873 10.138 1.00 0.00 H new ATOM 0 HD21 LEU P 373 -0.703 5.393 10.849 1.00 0.00 H new ATOM 0 HD22 LEU P 373 -0.825 3.871 11.763 1.00 0.00 H new ATOM 0 HD23 LEU P 373 -0.400 5.382 12.603 1.00 0.00 H new ATOM 1197 N ILE P 374 3.791 2.568 10.154 1.00 0.00 N ATOM 1198 CA ILE P 374 3.990 1.680 9.021 1.00 0.00 C ATOM 1199 C ILE P 374 5.079 0.703 9.424 1.00 0.00 C ATOM 1200 O ILE P 374 4.950 -0.509 9.262 1.00 0.00 O ATOM 1201 CB ILE P 374 4.412 2.428 7.733 1.00 0.00 C ATOM 1202 CG1 ILE P 374 3.236 3.199 7.131 1.00 0.00 C ATOM 1203 CG2 ILE P 374 4.964 1.447 6.715 1.00 0.00 C ATOM 1204 CD1 ILE P 374 3.656 4.441 6.376 1.00 0.00 C ATOM 0 H ILE P 374 4.102 3.528 10.005 1.00 0.00 H new ATOM 0 HA ILE P 374 3.049 1.183 8.786 1.00 0.00 H new ATOM 0 HB ILE P 374 5.189 3.145 7.999 1.00 0.00 H new ATOM 0 HG12 ILE P 374 2.687 2.541 6.457 1.00 0.00 H new ATOM 0 HG13 ILE P 374 2.550 3.482 7.929 1.00 0.00 H new ATOM 0 HG21 ILE P 374 5.257 1.985 5.813 1.00 0.00 H new ATOM 0 HG22 ILE P 374 5.833 0.939 7.133 1.00 0.00 H new ATOM 0 HG23 ILE P 374 4.199 0.712 6.466 1.00 0.00 H new ATOM 0 HD11 ILE P 374 2.773 4.939 5.976 1.00 0.00 H new ATOM 0 HD12 ILE P 374 4.180 5.118 7.051 1.00 0.00 H new ATOM 0 HD13 ILE P 374 4.318 4.162 5.556 1.00 0.00 H new ATOM 1216 N LEU P 375 6.132 1.260 10.020 1.00 0.00 N ATOM 1217 CA LEU P 375 7.237 0.469 10.531 1.00 0.00 C ATOM 1218 C LEU P 375 6.707 -0.491 11.587 1.00 0.00 C ATOM 1219 O LEU P 375 7.310 -1.521 11.884 1.00 0.00 O ATOM 1220 CB LEU P 375 8.308 1.392 11.128 1.00 0.00 C ATOM 1221 CG LEU P 375 9.064 2.234 10.104 1.00 0.00 C ATOM 1222 CD1 LEU P 375 9.378 3.613 10.662 1.00 0.00 C ATOM 1223 CD2 LEU P 375 10.348 1.540 9.671 1.00 0.00 C ATOM 0 H LEU P 375 6.238 2.265 10.159 1.00 0.00 H new ATOM 0 HA LEU P 375 7.693 -0.102 9.722 1.00 0.00 H new ATOM 0 HB2 LEU P 375 7.834 2.059 11.848 1.00 0.00 H new ATOM 0 HB3 LEU P 375 9.025 0.785 11.680 1.00 0.00 H new ATOM 0 HG LEU P 375 8.422 2.350 9.231 1.00 0.00 H new ATOM 0 HD11 LEU P 375 9.917 4.194 9.914 1.00 0.00 H new ATOM 0 HD12 LEU P 375 8.449 4.123 10.917 1.00 0.00 H new ATOM 0 HD13 LEU P 375 9.994 3.512 11.556 1.00 0.00 H new ATOM 0 HD21 LEU P 375 10.868 2.160 8.941 1.00 0.00 H new ATOM 0 HD22 LEU P 375 10.989 1.386 10.539 1.00 0.00 H new ATOM 0 HD23 LEU P 375 10.107 0.576 9.222 1.00 0.00 H new ATOM 1235 N ASN P 376 5.552 -0.128 12.134 1.00 0.00 N ATOM 1236 CA ASN P 376 4.878 -0.913 13.146 1.00 0.00 C ATOM 1237 C ASN P 376 3.919 -1.913 12.504 1.00 0.00 C ATOM 1238 O ASN P 376 3.548 -2.912 13.120 1.00 0.00 O ATOM 1239 CB ASN P 376 4.091 0.026 14.067 1.00 0.00 C ATOM 1240 CG ASN P 376 4.210 -0.359 15.529 1.00 0.00 C ATOM 1241 OD1 ASN P 376 4.066 -1.527 15.888 1.00 0.00 O ATOM 1242 ND2 ASN P 376 4.473 0.625 16.380 1.00 0.00 N ATOM 0 H ASN P 376 5.058 0.728 11.881 1.00 0.00 H new ATOM 0 HA ASN P 376 5.624 -1.465 13.718 1.00 0.00 H new ATOM 0 HB2 ASN P 376 4.450 1.046 13.933 1.00 0.00 H new ATOM 0 HB3 ASN P 376 3.040 0.018 13.777 1.00 0.00 H new ATOM 0 HD21 ASN P 376 4.564 0.427 17.376 1.00 0.00 H new ATOM 0 HD22 ASN P 376 4.585 1.579 16.037 1.00 0.00 H new ATOM 1249 N ARG P 377 3.490 -1.618 11.275 1.00 0.00 N ATOM 1250 CA ARG P 377 2.540 -2.479 10.579 1.00 0.00 C ATOM 1251 C ARG P 377 2.941 -2.758 9.121 1.00 0.00 C ATOM 1252 O ARG P 377 2.093 -2.725 8.230 1.00 0.00 O ATOM 1253 CB ARG P 377 1.149 -1.834 10.618 1.00 0.00 C ATOM 1254 CG ARG P 377 0.767 -1.263 11.984 1.00 0.00 C ATOM 1255 CD ARG P 377 0.244 0.166 11.884 1.00 0.00 C ATOM 1256 NE ARG P 377 -1.190 0.242 12.157 1.00 0.00 N ATOM 1257 CZ ARG P 377 -1.709 0.286 13.382 1.00 0.00 C ATOM 1258 NH1 ARG P 377 -0.920 0.257 14.449 1.00 0.00 N ATOM 1259 NH2 ARG P 377 -3.024 0.356 13.540 1.00 0.00 N ATOM 0 H ARG P 377 3.784 -0.796 10.747 1.00 0.00 H new ATOM 0 HA ARG P 377 2.534 -3.439 11.095 1.00 0.00 H new ATOM 0 HB2 ARG P 377 1.109 -1.035 9.878 1.00 0.00 H new ATOM 0 HB3 ARG P 377 0.407 -2.577 10.326 1.00 0.00 H new ATOM 0 HG2 ARG P 377 0.006 -1.896 12.441 1.00 0.00 H new ATOM 0 HG3 ARG P 377 1.636 -1.285 12.641 1.00 0.00 H new ATOM 0 HD2 ARG P 377 0.782 0.800 12.589 1.00 0.00 H new ATOM 0 HD3 ARG P 377 0.445 0.557 10.887 1.00 0.00 H new ATOM 0 HE ARG P 377 -1.830 0.263 11.363 1.00 0.00 H new ATOM 0 HH11 ARG P 377 0.092 0.201 14.334 1.00 0.00 H new ATOM 0 HH12 ARG P 377 -1.326 0.291 15.384 1.00 0.00 H new ATOM 0 HH21 ARG P 377 -3.635 0.376 12.724 1.00 0.00 H new ATOM 0 HH22 ARG P 377 -3.424 0.390 14.478 1.00 0.00 H new ATOM 1273 N CYS P 378 4.217 -3.062 8.877 1.00 0.00 N ATOM 1274 CA CYS P 378 4.678 -3.370 7.516 1.00 0.00 C ATOM 1275 C CYS P 378 5.991 -4.146 7.518 1.00 0.00 C ATOM 1276 O CYS P 378 6.566 -4.425 8.570 1.00 0.00 O ATOM 1277 CB CYS P 378 4.836 -2.102 6.668 1.00 0.00 C ATOM 1278 SG CYS P 378 3.348 -1.643 5.753 1.00 0.00 S ATOM 0 H CYS P 378 4.944 -3.102 9.592 1.00 0.00 H new ATOM 0 HA CYS P 378 3.905 -3.997 7.071 1.00 0.00 H new ATOM 0 HB2 CYS P 378 5.120 -1.275 7.318 1.00 0.00 H new ATOM 0 HB3 CYS P 378 5.654 -2.248 5.962 1.00 0.00 H new ATOM 0 HG CYS P 378 2.309 -2.191 6.310 1.00 0.00 H new ATOM 1284 N SER P 379 6.455 -4.493 6.317 1.00 0.00 N ATOM 1285 CA SER P 379 7.695 -5.241 6.148 1.00 0.00 C ATOM 1286 C SER P 379 8.909 -4.321 6.255 1.00 0.00 C ATOM 1287 O SER P 379 8.772 -3.101 6.344 1.00 0.00 O ATOM 1288 CB SER P 379 7.700 -5.954 4.791 1.00 0.00 C ATOM 1289 OG SER P 379 7.455 -7.341 4.944 1.00 0.00 O ATOM 0 H SER P 379 5.984 -4.264 5.442 1.00 0.00 H new ATOM 0 HA SER P 379 7.754 -5.982 6.945 1.00 0.00 H new ATOM 0 HB2 SER P 379 6.940 -5.516 4.144 1.00 0.00 H new ATOM 0 HB3 SER P 379 8.662 -5.803 4.301 1.00 0.00 H new ATOM 0 HG SER P 379 7.461 -7.773 4.065 1.00 0.00 H new ATOM 1295 N GLU P 380 10.097 -4.919 6.246 1.00 0.00 N ATOM 1296 CA GLU P 380 11.337 -4.159 6.341 1.00 0.00 C ATOM 1297 C GLU P 380 11.602 -3.377 5.058 1.00 0.00 C ATOM 1298 O GLU P 380 12.112 -2.257 5.098 1.00 0.00 O ATOM 1299 CB GLU P 380 12.511 -5.095 6.633 1.00 0.00 C ATOM 1300 CG GLU P 380 12.772 -5.300 8.116 1.00 0.00 C ATOM 1301 CD GLU P 380 13.874 -6.308 8.381 1.00 0.00 C ATOM 1302 OE1 GLU P 380 14.851 -6.337 7.603 1.00 0.00 O ATOM 1303 OE2 GLU P 380 13.759 -7.070 9.364 1.00 0.00 O ATOM 0 H GLU P 380 10.226 -5.928 6.174 1.00 0.00 H new ATOM 0 HA GLU P 380 11.233 -3.448 7.160 1.00 0.00 H new ATOM 0 HB2 GLU P 380 12.317 -6.062 6.170 1.00 0.00 H new ATOM 0 HB3 GLU P 380 13.410 -4.693 6.167 1.00 0.00 H new ATOM 0 HG2 GLU P 380 13.041 -4.346 8.569 1.00 0.00 H new ATOM 0 HG3 GLU P 380 11.854 -5.635 8.600 1.00 0.00 H new ATOM 1310 N SER P 381 11.252 -3.972 3.921 1.00 0.00 N ATOM 1311 CA SER P 381 11.453 -3.326 2.627 1.00 0.00 C ATOM 1312 C SER P 381 10.812 -1.942 2.606 1.00 0.00 C ATOM 1313 O SER P 381 11.497 -0.933 2.441 1.00 0.00 O ATOM 1314 CB SER P 381 10.872 -4.190 1.507 1.00 0.00 C ATOM 1315 OG SER P 381 11.195 -3.657 0.233 1.00 0.00 O ATOM 0 H SER P 381 10.829 -4.899 3.869 1.00 0.00 H new ATOM 0 HA SER P 381 12.525 -3.212 2.467 1.00 0.00 H new ATOM 0 HB2 SER P 381 11.259 -5.206 1.589 1.00 0.00 H new ATOM 0 HB3 SER P 381 9.789 -4.252 1.615 1.00 0.00 H new ATOM 0 HG SER P 381 11.107 -4.358 -0.447 1.00 0.00 H new ATOM 1321 N THR P 382 9.494 -1.901 2.783 1.00 0.00 N ATOM 1322 CA THR P 382 8.766 -0.638 2.796 1.00 0.00 C ATOM 1323 C THR P 382 9.295 0.266 3.903 1.00 0.00 C ATOM 1324 O THR P 382 9.333 1.487 3.764 1.00 0.00 O ATOM 1325 CB THR P 382 7.267 -0.889 2.998 1.00 0.00 C ATOM 1326 OG1 THR P 382 6.724 -1.595 1.896 1.00 0.00 O ATOM 1327 CG2 THR P 382 6.456 0.380 3.173 1.00 0.00 C ATOM 0 H THR P 382 8.911 -2.727 2.919 1.00 0.00 H new ATOM 0 HA THR P 382 8.914 -0.144 1.836 1.00 0.00 H new ATOM 0 HB THR P 382 7.198 -1.471 3.917 1.00 0.00 H new ATOM 0 HG1 THR P 382 5.813 -1.886 2.111 1.00 0.00 H new ATOM 0 HG21 THR P 382 5.405 0.124 3.311 1.00 0.00 H new ATOM 0 HG22 THR P 382 6.815 0.924 4.047 1.00 0.00 H new ATOM 0 HG23 THR P 382 6.564 1.006 2.287 1.00 0.00 H new ATOM 1335 N LYS P 383 9.700 -0.352 5.007 1.00 0.00 N ATOM 1336 CA LYS P 383 10.224 0.379 6.152 1.00 0.00 C ATOM 1337 C LYS P 383 11.504 1.129 5.794 1.00 0.00 C ATOM 1338 O LYS P 383 11.613 2.334 6.022 1.00 0.00 O ATOM 1339 CB LYS P 383 10.494 -0.587 7.304 1.00 0.00 C ATOM 1340 CG LYS P 383 9.251 -0.920 8.108 1.00 0.00 C ATOM 1341 CD LYS P 383 9.460 -2.150 8.978 1.00 0.00 C ATOM 1342 CE LYS P 383 10.585 -1.942 9.977 1.00 0.00 C ATOM 1343 NZ LYS P 383 11.081 -3.232 10.532 1.00 0.00 N ATOM 0 H LYS P 383 9.675 -1.364 5.132 1.00 0.00 H new ATOM 0 HA LYS P 383 9.477 1.112 6.456 1.00 0.00 H new ATOM 0 HB2 LYS P 383 10.919 -1.508 6.905 1.00 0.00 H new ATOM 0 HB3 LYS P 383 11.242 -0.152 7.967 1.00 0.00 H new ATOM 0 HG2 LYS P 383 8.985 -0.070 8.736 1.00 0.00 H new ATOM 0 HG3 LYS P 383 8.414 -1.090 7.431 1.00 0.00 H new ATOM 0 HD2 LYS P 383 8.537 -2.381 9.511 1.00 0.00 H new ATOM 0 HD3 LYS P 383 9.687 -3.009 8.347 1.00 0.00 H new ATOM 0 HE2 LYS P 383 11.407 -1.415 9.493 1.00 0.00 H new ATOM 0 HE3 LYS P 383 10.235 -1.307 10.791 1.00 0.00 H new ATOM 0 HZ1 LYS P 383 12.019 -3.089 10.958 1.00 0.00 H new ATOM 0 HZ2 LYS P 383 10.420 -3.575 11.258 1.00 0.00 H new ATOM 0 HZ3 LYS P 383 11.151 -3.934 9.768 1.00 0.00 H new ATOM 1357 N ARG P 384 12.474 0.406 5.236 1.00 0.00 N ATOM 1358 CA ARG P 384 13.753 1.002 4.849 1.00 0.00 C ATOM 1359 C ARG P 384 13.549 2.309 4.088 1.00 0.00 C ATOM 1360 O ARG P 384 14.390 3.206 4.135 1.00 0.00 O ATOM 1361 CB ARG P 384 14.555 0.020 3.991 1.00 0.00 C ATOM 1362 CG ARG P 384 15.071 -1.182 4.765 1.00 0.00 C ATOM 1363 CD ARG P 384 15.658 -2.234 3.837 1.00 0.00 C ATOM 1364 NE ARG P 384 17.118 -2.213 3.838 1.00 0.00 N ATOM 1365 CZ ARG P 384 17.869 -2.854 2.947 1.00 0.00 C ATOM 1366 NH1 ARG P 384 17.304 -3.565 1.981 1.00 0.00 N ATOM 1367 NH2 ARG P 384 19.193 -2.783 3.021 1.00 0.00 N ATOM 0 H ARG P 384 12.399 -0.593 5.042 1.00 0.00 H new ATOM 0 HA ARG P 384 14.308 1.223 5.761 1.00 0.00 H new ATOM 0 HB2 ARG P 384 13.928 -0.329 3.170 1.00 0.00 H new ATOM 0 HB3 ARG P 384 15.400 0.545 3.546 1.00 0.00 H new ATOM 0 HG2 ARG P 384 15.831 -0.859 5.477 1.00 0.00 H new ATOM 0 HG3 ARG P 384 14.258 -1.619 5.344 1.00 0.00 H new ATOM 0 HD2 ARG P 384 15.310 -3.221 4.142 1.00 0.00 H new ATOM 0 HD3 ARG P 384 15.294 -2.067 2.823 1.00 0.00 H new ATOM 0 HE ARG P 384 17.590 -1.675 4.565 1.00 0.00 H new ATOM 0 HH11 ARG P 384 16.288 -3.623 1.918 1.00 0.00 H new ATOM 0 HH12 ARG P 384 17.886 -4.054 1.301 1.00 0.00 H new ATOM 0 HH21 ARG P 384 19.634 -2.237 3.761 1.00 0.00 H new ATOM 0 HH22 ARG P 384 19.769 -3.275 2.338 1.00 0.00 H new ATOM 1381 N LYS P 385 12.424 2.410 3.388 1.00 0.00 N ATOM 1382 CA LYS P 385 12.106 3.606 2.618 1.00 0.00 C ATOM 1383 C LYS P 385 11.805 4.781 3.544 1.00 0.00 C ATOM 1384 O LYS P 385 12.548 5.762 3.582 1.00 0.00 O ATOM 1385 CB LYS P 385 10.908 3.341 1.701 1.00 0.00 C ATOM 1386 CG LYS P 385 10.915 1.952 1.078 1.00 0.00 C ATOM 1387 CD LYS P 385 10.522 1.993 -0.389 1.00 0.00 C ATOM 1388 CE LYS P 385 10.245 0.600 -0.931 1.00 0.00 C ATOM 1389 NZ LYS P 385 11.432 0.028 -1.627 1.00 0.00 N ATOM 0 H LYS P 385 11.717 1.677 3.338 1.00 0.00 H new ATOM 0 HA LYS P 385 12.972 3.860 2.007 1.00 0.00 H new ATOM 0 HB2 LYS P 385 9.988 3.470 2.272 1.00 0.00 H new ATOM 0 HB3 LYS P 385 10.897 4.087 0.906 1.00 0.00 H new ATOM 0 HG2 LYS P 385 11.908 1.514 1.177 1.00 0.00 H new ATOM 0 HG3 LYS P 385 10.226 1.306 1.622 1.00 0.00 H new ATOM 0 HD2 LYS P 385 9.636 2.615 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS P 385 11.320 2.458 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS P 385 9.953 -0.057 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS P 385 9.403 0.640 -1.622 1.00 0.00 H new ATOM 0 HZ1 LYS P 385 11.202 -0.922 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS P 385 11.695 0.641 -2.425 1.00 0.00 H new ATOM 0 HZ3 LYS P 385 12.228 -0.035 -0.961 1.00 0.00 H new ATOM 1403 N LEU P 386 10.715 4.669 4.296 1.00 0.00 N ATOM 1404 CA LEU P 386 10.318 5.719 5.233 1.00 0.00 C ATOM 1405 C LEU P 386 11.370 5.908 6.319 1.00 0.00 C ATOM 1406 O LEU P 386 11.854 7.018 6.539 1.00 0.00 O ATOM 1407 CB LEU P 386 8.955 5.405 5.868 1.00 0.00 C ATOM 1408 CG LEU P 386 8.613 3.918 6.005 1.00 0.00 C ATOM 1409 CD1 LEU P 386 7.883 3.653 7.310 1.00 0.00 C ATOM 1410 CD2 LEU P 386 7.770 3.455 4.825 1.00 0.00 C ATOM 0 H LEU P 386 10.090 3.863 4.276 1.00 0.00 H new ATOM 0 HA LEU P 386 10.231 6.648 4.669 1.00 0.00 H new ATOM 0 HB2 LEU P 386 8.923 5.859 6.858 1.00 0.00 H new ATOM 0 HB3 LEU P 386 8.178 5.884 5.272 1.00 0.00 H new ATOM 0 HG LEU P 386 9.545 3.353 6.011 1.00 0.00 H new ATOM 0 HD11 LEU P 386 7.650 2.591 7.387 1.00 0.00 H new ATOM 0 HD12 LEU P 386 8.516 3.947 8.147 1.00 0.00 H new ATOM 0 HD13 LEU P 386 6.959 4.230 7.334 1.00 0.00 H new ATOM 0 HD21 LEU P 386 7.536 2.396 4.938 1.00 0.00 H new ATOM 0 HD22 LEU P 386 6.844 4.030 4.791 1.00 0.00 H new ATOM 0 HD23 LEU P 386 8.325 3.607 3.899 1.00 0.00 H new