USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=14 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= 0.0321 USER MOD Set 1.2: S 472 GLN : amide:sc= 0.142 K(o=0.17,f=-2.6!) USER MOD Single : P 360 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 362 GLN : amide:sc= -0.205 K(o=-0.2,f=-6.1!) USER MOD Single : P 370 SER OG : rot 180:sc= 0 USER MOD Single : P 376 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.059) USER MOD Single : P 378 CYS SG : rot 19:sc= -7.22 USER MOD Single : P 379 SER OG : rot 180:sc= -0.153 USER MOD Single : P 381 SER OG : rot 160:sc= -0.855 USER MOD Single : P 382 THR OG1 : rot 136:sc= -5.52! USER MOD Single : P 383 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.28) USER MOD Single : P 385 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 460 SER OG : rot 180:sc= -0.0862 USER MOD Single : S 461 GLN : amide:sc= -0.0815 K(o=-0.082,f=-1.6!) USER MOD Single : S 467 SER OG : rot 93:sc= 0.126 USER MOD Single : S 468 TYR OH : rot 172:sc= 0.939 USER MOD Single : S 479 GLN :FLIP amide:sc= 0.826 F(o=-0.33,f=0.83) USER MOD Single : S 488 SER OG : rot 180:sc= 0 USER MOD Single : S 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 491 ASN : amide:sc= -6.95! C(o=-7!,f=-14!) USER MOD Single : S 499 SER OG : rot 180:sc= 0 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+ -132:sc= 0.331 (180deg=-1.46!) USER MOD ----------------------------------------------------------------- ATOM 90 N SER S 460 -4.258 -9.674 2.774 1.00 0.00 N ATOM 91 CA SER S 460 -5.354 -9.892 1.836 1.00 0.00 C ATOM 92 C SER S 460 -5.045 -9.266 0.479 1.00 0.00 C ATOM 93 O SER S 460 -3.906 -8.889 0.205 1.00 0.00 O ATOM 94 CB SER S 460 -6.650 -9.311 2.401 1.00 0.00 C ATOM 95 OG SER S 460 -6.811 -7.952 2.034 1.00 0.00 O ATOM 0 HA SER S 460 -5.475 -10.966 1.695 1.00 0.00 H new ATOM 0 HB2 SER S 460 -7.499 -9.890 2.038 1.00 0.00 H new ATOM 0 HB3 SER S 460 -6.646 -9.398 3.488 1.00 0.00 H new ATOM 0 HG SER S 460 -7.649 -7.609 2.409 1.00 0.00 H new ATOM 101 N GLN S 461 -6.062 -9.159 -0.372 1.00 0.00 N ATOM 102 CA GLN S 461 -5.879 -8.577 -1.700 1.00 0.00 C ATOM 103 C GLN S 461 -7.151 -7.896 -2.194 1.00 0.00 C ATOM 104 O GLN S 461 -8.258 -8.241 -1.779 1.00 0.00 O ATOM 105 CB GLN S 461 -5.452 -9.652 -2.707 1.00 0.00 C ATOM 106 CG GLN S 461 -4.651 -10.792 -2.095 1.00 0.00 C ATOM 107 CD GLN S 461 -3.940 -11.631 -3.141 1.00 0.00 C ATOM 108 OE1 GLN S 461 -3.733 -11.190 -4.270 1.00 0.00 O ATOM 109 NE2 GLN S 461 -3.564 -12.848 -2.765 1.00 0.00 N ATOM 0 H GLN S 461 -7.014 -9.465 -0.169 1.00 0.00 H new ATOM 0 HA GLN S 461 -5.094 -7.825 -1.617 1.00 0.00 H new ATOM 0 HB2 GLN S 461 -6.342 -10.062 -3.184 1.00 0.00 H new ATOM 0 HB3 GLN S 461 -4.857 -9.184 -3.492 1.00 0.00 H new ATOM 0 HG2 GLN S 461 -3.916 -10.384 -1.401 1.00 0.00 H new ATOM 0 HG3 GLN S 461 -5.318 -11.430 -1.515 1.00 0.00 H new ATOM 0 HE21 GLN S 461 -3.757 -13.171 -1.817 1.00 0.00 H new ATOM 0 HE22 GLN S 461 -3.082 -13.459 -3.424 1.00 0.00 H new ATOM 118 N VAL S 462 -6.979 -6.931 -3.092 1.00 0.00 N ATOM 119 CA VAL S 462 -8.101 -6.194 -3.665 1.00 0.00 C ATOM 120 C VAL S 462 -7.704 -5.518 -4.969 1.00 0.00 C ATOM 121 O VAL S 462 -6.710 -4.794 -5.023 1.00 0.00 O ATOM 122 CB VAL S 462 -8.639 -5.110 -2.709 1.00 0.00 C ATOM 123 CG1 VAL S 462 -9.743 -5.667 -1.821 1.00 0.00 C ATOM 124 CG2 VAL S 462 -7.507 -4.522 -1.878 1.00 0.00 C ATOM 0 H VAL S 462 -6.066 -6.639 -3.441 1.00 0.00 H new ATOM 0 HA VAL S 462 -8.883 -6.932 -3.844 1.00 0.00 H new ATOM 0 HB VAL S 462 -9.071 -4.308 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL S 462 -10.105 -4.883 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL S 462 -10.564 -6.024 -2.442 1.00 0.00 H new ATOM 0 HG13 VAL S 462 -9.351 -6.493 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL S 462 -7.905 -3.759 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL S 462 -7.039 -5.312 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL S 462 -6.765 -4.074 -2.539 1.00 0.00 H new ATOM 134 N GLU S 463 -8.491 -5.741 -6.016 1.00 0.00 N ATOM 135 CA GLU S 463 -8.218 -5.131 -7.304 1.00 0.00 C ATOM 136 C GLU S 463 -8.129 -3.618 -7.166 1.00 0.00 C ATOM 137 O GLU S 463 -8.737 -3.032 -6.270 1.00 0.00 O ATOM 138 CB GLU S 463 -9.304 -5.504 -8.313 1.00 0.00 C ATOM 139 CG GLU S 463 -8.876 -6.597 -9.268 1.00 0.00 C ATOM 140 CD GLU S 463 -9.966 -6.976 -10.253 1.00 0.00 C ATOM 141 OE1 GLU S 463 -11.155 -6.875 -9.888 1.00 0.00 O ATOM 142 OE2 GLU S 463 -9.627 -7.371 -11.389 1.00 0.00 O ATOM 0 H GLU S 463 -9.318 -6.337 -5.995 1.00 0.00 H new ATOM 0 HA GLU S 463 -7.261 -5.507 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU S 463 -10.195 -5.828 -7.776 1.00 0.00 H new ATOM 0 HB3 GLU S 463 -9.581 -4.618 -8.884 1.00 0.00 H new ATOM 0 HG2 GLU S 463 -7.994 -6.268 -9.818 1.00 0.00 H new ATOM 0 HG3 GLU S 463 -8.586 -7.479 -8.697 1.00 0.00 H new ATOM 149 N ALA S 464 -7.372 -2.986 -8.052 1.00 0.00 N ATOM 150 CA ALA S 464 -7.216 -1.541 -8.011 1.00 0.00 C ATOM 151 C ALA S 464 -8.283 -0.866 -8.862 1.00 0.00 C ATOM 152 O ALA S 464 -9.030 -1.531 -9.577 1.00 0.00 O ATOM 153 CB ALA S 464 -5.825 -1.143 -8.483 1.00 0.00 C ATOM 0 H ALA S 464 -6.860 -3.449 -8.803 1.00 0.00 H new ATOM 0 HA ALA S 464 -7.338 -1.209 -6.980 1.00 0.00 H new ATOM 0 HB1 ALA S 464 -5.725 -0.058 -8.446 1.00 0.00 H new ATOM 0 HB2 ALA S 464 -5.077 -1.599 -7.835 1.00 0.00 H new ATOM 0 HB3 ALA S 464 -5.676 -1.487 -9.507 1.00 0.00 H new ATOM 159 N LEU S 465 -8.361 0.453 -8.773 1.00 0.00 N ATOM 160 CA LEU S 465 -9.352 1.205 -9.536 1.00 0.00 C ATOM 161 C LEU S 465 -8.768 2.487 -10.130 1.00 0.00 C ATOM 162 O LEU S 465 -9.445 3.191 -10.878 1.00 0.00 O ATOM 163 CB LEU S 465 -10.539 1.550 -8.643 1.00 0.00 C ATOM 164 CG LEU S 465 -11.196 0.353 -7.955 1.00 0.00 C ATOM 165 CD1 LEU S 465 -10.335 -0.140 -6.804 1.00 0.00 C ATOM 166 CD2 LEU S 465 -12.590 0.717 -7.469 1.00 0.00 C ATOM 0 H LEU S 465 -7.755 1.024 -8.184 1.00 0.00 H new ATOM 0 HA LEU S 465 -9.677 0.574 -10.363 1.00 0.00 H new ATOM 0 HB2 LEU S 465 -10.208 2.253 -7.879 1.00 0.00 H new ATOM 0 HB3 LEU S 465 -11.290 2.063 -9.244 1.00 0.00 H new ATOM 0 HG LEU S 465 -11.288 -0.455 -8.681 1.00 0.00 H new ATOM 0 HD11 LEU S 465 -10.819 -0.992 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU S 465 -9.359 -0.443 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU S 465 -10.209 0.661 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU S 465 -13.043 -0.147 -6.982 1.00 0.00 H new ATOM 0 HD22 LEU S 465 -12.524 1.541 -6.759 1.00 0.00 H new ATOM 0 HD23 LEU S 465 -13.204 1.018 -8.318 1.00 0.00 H new ATOM 178 N PHE S 466 -7.521 2.795 -9.790 1.00 0.00 N ATOM 179 CA PHE S 466 -6.878 4.001 -10.293 1.00 0.00 C ATOM 180 C PHE S 466 -5.376 3.822 -10.432 1.00 0.00 C ATOM 181 O PHE S 466 -4.804 2.832 -9.973 1.00 0.00 O ATOM 182 CB PHE S 466 -7.150 5.169 -9.352 1.00 0.00 C ATOM 183 CG PHE S 466 -8.594 5.344 -9.010 1.00 0.00 C ATOM 184 CD1 PHE S 466 -9.443 6.003 -9.879 1.00 0.00 C ATOM 185 CD2 PHE S 466 -9.101 4.856 -7.815 1.00 0.00 C ATOM 186 CE1 PHE S 466 -10.771 6.179 -9.564 1.00 0.00 C ATOM 187 CE2 PHE S 466 -10.433 5.024 -7.498 1.00 0.00 C ATOM 188 CZ PHE S 466 -11.268 5.690 -8.376 1.00 0.00 C ATOM 0 H PHE S 466 -6.939 2.229 -9.172 1.00 0.00 H new ATOM 0 HA PHE S 466 -7.296 4.204 -11.279 1.00 0.00 H new ATOM 0 HB2 PHE S 466 -6.584 5.022 -8.432 1.00 0.00 H new ATOM 0 HB3 PHE S 466 -6.781 6.086 -9.811 1.00 0.00 H new ATOM 0 HD1 PHE S 466 -9.060 6.384 -10.815 1.00 0.00 H new ATOM 0 HD2 PHE S 466 -8.448 4.340 -7.127 1.00 0.00 H new ATOM 0 HE1 PHE S 466 -11.424 6.701 -10.248 1.00 0.00 H new ATOM 0 HE2 PHE S 466 -10.822 4.637 -6.568 1.00 0.00 H new ATOM 0 HZ PHE S 466 -12.311 5.827 -8.130 1.00 0.00 H new ATOM 198 N SER S 467 -4.741 4.812 -11.046 1.00 0.00 N ATOM 199 CA SER S 467 -3.300 4.804 -11.231 1.00 0.00 C ATOM 200 C SER S 467 -2.663 5.836 -10.309 1.00 0.00 C ATOM 201 O SER S 467 -2.681 7.034 -10.593 1.00 0.00 O ATOM 202 CB SER S 467 -2.943 5.104 -12.688 1.00 0.00 C ATOM 203 OG SER S 467 -3.290 4.021 -13.533 1.00 0.00 O ATOM 0 H SER S 467 -5.208 5.636 -11.426 1.00 0.00 H new ATOM 0 HA SER S 467 -2.917 3.814 -10.983 1.00 0.00 H new ATOM 0 HB2 SER S 467 -3.463 6.005 -13.015 1.00 0.00 H new ATOM 0 HB3 SER S 467 -1.875 5.305 -12.770 1.00 0.00 H new ATOM 0 HG SER S 467 -4.189 4.164 -13.896 1.00 0.00 H new ATOM 209 N TYR S 468 -2.112 5.365 -9.199 1.00 0.00 N ATOM 210 CA TYR S 468 -1.484 6.245 -8.225 1.00 0.00 C ATOM 211 C TYR S 468 -0.085 6.639 -8.691 1.00 0.00 C ATOM 212 O TYR S 468 0.768 5.786 -8.924 1.00 0.00 O ATOM 213 CB TYR S 468 -1.435 5.548 -6.859 1.00 0.00 C ATOM 214 CG TYR S 468 -0.803 6.360 -5.746 1.00 0.00 C ATOM 215 CD1 TYR S 468 -0.589 7.727 -5.876 1.00 0.00 C ATOM 216 CD2 TYR S 468 -0.417 5.748 -4.559 1.00 0.00 C ATOM 217 CE1 TYR S 468 -0.012 8.458 -4.857 1.00 0.00 C ATOM 218 CE2 TYR S 468 0.159 6.473 -3.534 1.00 0.00 C ATOM 219 CZ TYR S 468 0.360 7.830 -3.690 1.00 0.00 C ATOM 220 OH TYR S 468 0.932 8.560 -2.676 1.00 0.00 O ATOM 0 H TYR S 468 -2.087 4.376 -8.951 1.00 0.00 H new ATOM 0 HA TYR S 468 -2.073 7.157 -8.129 1.00 0.00 H new ATOM 0 HB2 TYR S 468 -2.452 5.287 -6.565 1.00 0.00 H new ATOM 0 HB3 TYR S 468 -0.883 4.614 -6.965 1.00 0.00 H new ATOM 0 HD1 TYR S 468 -0.879 8.226 -6.789 1.00 0.00 H new ATOM 0 HD2 TYR S 468 -0.570 4.686 -4.436 1.00 0.00 H new ATOM 0 HE1 TYR S 468 0.147 9.520 -4.975 1.00 0.00 H new ATOM 0 HE2 TYR S 468 0.450 5.982 -2.617 1.00 0.00 H new ATOM 0 HH TYR S 468 1.018 7.999 -1.877 1.00 0.00 H new ATOM 230 N GLU S 469 0.125 7.946 -8.848 1.00 0.00 N ATOM 231 CA GLU S 469 1.405 8.484 -9.313 1.00 0.00 C ATOM 232 C GLU S 469 2.480 8.460 -8.233 1.00 0.00 C ATOM 233 O GLU S 469 3.498 9.145 -8.349 1.00 0.00 O ATOM 234 CB GLU S 469 1.210 9.914 -9.786 1.00 0.00 C ATOM 235 CG GLU S 469 0.746 10.853 -8.685 1.00 0.00 C ATOM 236 CD GLU S 469 0.516 12.267 -9.181 1.00 0.00 C ATOM 237 OE1 GLU S 469 1.441 12.839 -9.795 1.00 0.00 O ATOM 238 OE2 GLU S 469 -0.589 12.802 -8.955 1.00 0.00 O ATOM 0 H GLU S 469 -0.581 8.657 -8.658 1.00 0.00 H new ATOM 0 HA GLU S 469 1.744 7.846 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU S 469 2.149 10.284 -10.198 1.00 0.00 H new ATOM 0 HB3 GLU S 469 0.480 9.925 -10.595 1.00 0.00 H new ATOM 0 HG2 GLU S 469 -0.178 10.470 -8.251 1.00 0.00 H new ATOM 0 HG3 GLU S 469 1.490 10.868 -7.888 1.00 0.00 H new ATOM 245 N ALA S 470 2.252 7.681 -7.190 1.00 0.00 N ATOM 246 CA ALA S 470 3.196 7.562 -6.080 1.00 0.00 C ATOM 247 C ALA S 470 4.640 7.538 -6.574 1.00 0.00 C ATOM 248 O ALA S 470 5.096 6.552 -7.150 1.00 0.00 O ATOM 249 CB ALA S 470 2.895 6.308 -5.276 1.00 0.00 C ATOM 0 H ALA S 470 1.412 7.113 -7.084 1.00 0.00 H new ATOM 0 HA ALA S 470 3.078 8.438 -5.442 1.00 0.00 H new ATOM 0 HB1 ALA S 470 3.602 6.226 -4.451 1.00 0.00 H new ATOM 0 HB2 ALA S 470 1.881 6.364 -4.880 1.00 0.00 H new ATOM 0 HB3 ALA S 470 2.985 5.433 -5.919 1.00 0.00 H new ATOM 255 N THR S 471 5.353 8.634 -6.339 1.00 0.00 N ATOM 256 CA THR S 471 6.744 8.747 -6.754 1.00 0.00 C ATOM 257 C THR S 471 7.671 8.479 -5.576 1.00 0.00 C ATOM 258 O THR S 471 8.692 7.808 -5.717 1.00 0.00 O ATOM 259 CB THR S 471 7.017 10.136 -7.332 1.00 0.00 C ATOM 260 OG1 THR S 471 6.178 11.104 -6.727 1.00 0.00 O ATOM 261 CG2 THR S 471 6.804 10.214 -8.828 1.00 0.00 C ATOM 0 H THR S 471 4.988 9.458 -5.862 1.00 0.00 H new ATOM 0 HA THR S 471 6.935 8.003 -7.527 1.00 0.00 H new ATOM 0 HB THR S 471 8.067 10.336 -7.120 1.00 0.00 H new ATOM 0 HG1 THR S 471 6.369 11.986 -7.108 1.00 0.00 H new ATOM 0 HG21 THR S 471 7.015 11.226 -9.173 1.00 0.00 H new ATOM 0 HG22 THR S 471 7.473 9.513 -9.328 1.00 0.00 H new ATOM 0 HG23 THR S 471 5.771 9.959 -9.062 1.00 0.00 H new ATOM 269 N GLN S 472 7.301 9.005 -4.413 1.00 0.00 N ATOM 270 CA GLN S 472 8.095 8.815 -3.201 1.00 0.00 C ATOM 271 C GLN S 472 8.463 7.341 -3.018 1.00 0.00 C ATOM 272 O GLN S 472 7.886 6.465 -3.662 1.00 0.00 O ATOM 273 CB GLN S 472 7.351 9.343 -1.968 1.00 0.00 C ATOM 274 CG GLN S 472 5.837 9.270 -2.072 1.00 0.00 C ATOM 275 CD GLN S 472 5.202 10.628 -2.310 1.00 0.00 C ATOM 276 OE1 GLN S 472 5.350 11.215 -3.382 1.00 0.00 O ATOM 277 NE2 GLN S 472 4.491 11.134 -1.308 1.00 0.00 N ATOM 0 H GLN S 472 6.459 9.565 -4.283 1.00 0.00 H new ATOM 0 HA GLN S 472 9.016 9.387 -3.311 1.00 0.00 H new ATOM 0 HB2 GLN S 472 7.671 8.775 -1.094 1.00 0.00 H new ATOM 0 HB3 GLN S 472 7.642 10.380 -1.799 1.00 0.00 H new ATOM 0 HG2 GLN S 472 5.564 8.598 -2.886 1.00 0.00 H new ATOM 0 HG3 GLN S 472 5.434 8.840 -1.155 1.00 0.00 H new ATOM 0 HE21 GLN S 472 4.395 10.613 -0.437 1.00 0.00 H new ATOM 0 HE22 GLN S 472 4.041 12.044 -1.410 1.00 0.00 H new ATOM 286 N PRO S 473 9.452 7.054 -2.158 1.00 0.00 N ATOM 287 CA PRO S 473 9.926 5.685 -1.914 1.00 0.00 C ATOM 288 C PRO S 473 8.845 4.723 -1.405 1.00 0.00 C ATOM 289 O PRO S 473 8.336 3.900 -2.165 1.00 0.00 O ATOM 290 CB PRO S 473 11.031 5.865 -0.862 1.00 0.00 C ATOM 291 CG PRO S 473 10.793 7.211 -0.271 1.00 0.00 C ATOM 292 CD PRO S 473 10.214 8.042 -1.376 1.00 0.00 C ATOM 0 HA PRO S 473 10.262 5.224 -2.843 1.00 0.00 H new ATOM 0 HB2 PRO S 473 10.980 5.086 -0.101 1.00 0.00 H new ATOM 0 HB3 PRO S 473 12.020 5.804 -1.316 1.00 0.00 H new ATOM 0 HG2 PRO S 473 10.108 7.152 0.575 1.00 0.00 H new ATOM 0 HG3 PRO S 473 11.721 7.645 0.101 1.00 0.00 H new ATOM 0 HD2 PRO S 473 9.573 8.836 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO S 473 10.991 8.519 -1.973 1.00 0.00 H new ATOM 300 N GLU S 474 8.525 4.801 -0.114 1.00 0.00 N ATOM 301 CA GLU S 474 7.536 3.903 0.490 1.00 0.00 C ATOM 302 C GLU S 474 6.235 3.825 -0.313 1.00 0.00 C ATOM 303 O GLU S 474 5.697 2.737 -0.517 1.00 0.00 O ATOM 304 CB GLU S 474 7.247 4.313 1.942 1.00 0.00 C ATOM 305 CG GLU S 474 6.262 5.461 2.087 1.00 0.00 C ATOM 306 CD GLU S 474 6.827 6.782 1.600 1.00 0.00 C ATOM 307 OE1 GLU S 474 7.738 7.319 2.265 1.00 0.00 O ATOM 308 OE2 GLU S 474 6.355 7.278 0.556 1.00 0.00 O ATOM 0 H GLU S 474 8.934 5.474 0.534 1.00 0.00 H new ATOM 0 HA GLU S 474 7.974 2.905 0.480 1.00 0.00 H new ATOM 0 HB2 GLU S 474 6.860 3.448 2.480 1.00 0.00 H new ATOM 0 HB3 GLU S 474 8.185 4.593 2.421 1.00 0.00 H new ATOM 0 HG2 GLU S 474 5.356 5.230 1.527 1.00 0.00 H new ATOM 0 HG3 GLU S 474 5.974 5.557 3.134 1.00 0.00 H new ATOM 315 N ASP S 475 5.726 4.968 -0.765 1.00 0.00 N ATOM 316 CA ASP S 475 4.489 4.996 -1.534 1.00 0.00 C ATOM 317 C ASP S 475 4.559 4.042 -2.721 1.00 0.00 C ATOM 318 O ASP S 475 5.342 4.237 -3.650 1.00 0.00 O ATOM 319 CB ASP S 475 4.199 6.414 -2.005 1.00 0.00 C ATOM 320 CG ASP S 475 3.359 7.183 -1.004 1.00 0.00 C ATOM 321 OD1 ASP S 475 3.941 7.804 -0.091 1.00 0.00 O ATOM 322 OD2 ASP S 475 2.117 7.151 -1.124 1.00 0.00 O ATOM 0 H ASP S 475 6.150 5.883 -0.612 1.00 0.00 H new ATOM 0 HA ASP S 475 3.676 4.665 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP S 475 5.139 6.941 -2.170 1.00 0.00 H new ATOM 0 HB3 ASP S 475 3.680 6.379 -2.963 1.00 0.00 H new ATOM 327 N LEU S 476 3.730 3.007 -2.672 1.00 0.00 N ATOM 328 CA LEU S 476 3.681 2.004 -3.729 1.00 0.00 C ATOM 329 C LEU S 476 2.866 2.518 -4.912 1.00 0.00 C ATOM 330 O LEU S 476 1.677 2.803 -4.785 1.00 0.00 O ATOM 331 CB LEU S 476 3.080 0.699 -3.186 1.00 0.00 C ATOM 332 CG LEU S 476 2.567 -0.288 -4.240 1.00 0.00 C ATOM 333 CD1 LEU S 476 3.657 -0.622 -5.244 1.00 0.00 C ATOM 334 CD2 LEU S 476 2.045 -1.553 -3.581 1.00 0.00 C ATOM 0 H LEU S 476 3.078 2.839 -1.906 1.00 0.00 H new ATOM 0 HA LEU S 476 4.696 1.805 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU S 476 3.836 0.197 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU S 476 2.255 0.951 -2.519 1.00 0.00 H new ATOM 0 HG LEU S 476 1.744 0.186 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU S 476 3.269 -1.324 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU S 476 3.981 0.290 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU S 476 4.504 -1.072 -4.726 1.00 0.00 H new ATOM 0 HD21 LEU S 476 1.686 -2.240 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU S 476 2.848 -2.027 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU S 476 1.227 -1.301 -2.907 1.00 0.00 H new ATOM 346 N GLU S 477 3.523 2.637 -6.059 1.00 0.00 N ATOM 347 CA GLU S 477 2.872 3.119 -7.271 1.00 0.00 C ATOM 348 C GLU S 477 2.224 1.965 -8.028 1.00 0.00 C ATOM 349 O GLU S 477 2.810 0.892 -8.159 1.00 0.00 O ATOM 350 CB GLU S 477 3.894 3.814 -8.173 1.00 0.00 C ATOM 351 CG GLU S 477 3.341 5.021 -8.910 1.00 0.00 C ATOM 352 CD GLU S 477 4.407 5.771 -9.683 1.00 0.00 C ATOM 353 OE1 GLU S 477 5.189 5.117 -10.405 1.00 0.00 O ATOM 354 OE2 GLU S 477 4.462 7.013 -9.566 1.00 0.00 O ATOM 0 H GLU S 477 4.510 2.406 -6.176 1.00 0.00 H new ATOM 0 HA GLU S 477 2.097 3.830 -6.985 1.00 0.00 H new ATOM 0 HB2 GLU S 477 4.745 4.128 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU S 477 4.269 3.096 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU S 477 2.560 4.696 -9.597 1.00 0.00 H new ATOM 0 HG3 GLU S 477 2.874 5.697 -8.194 1.00 0.00 H new ATOM 361 N PHE S 478 1.015 2.190 -8.529 1.00 0.00 N ATOM 362 CA PHE S 478 0.301 1.158 -9.275 1.00 0.00 C ATOM 363 C PHE S 478 -0.721 1.775 -10.225 1.00 0.00 C ATOM 364 O PHE S 478 -1.119 2.927 -10.060 1.00 0.00 O ATOM 365 CB PHE S 478 -0.394 0.190 -8.316 1.00 0.00 C ATOM 366 CG PHE S 478 -1.111 0.878 -7.192 1.00 0.00 C ATOM 367 CD1 PHE S 478 -0.402 1.475 -6.164 1.00 0.00 C ATOM 368 CD2 PHE S 478 -2.494 0.933 -7.166 1.00 0.00 C ATOM 369 CE1 PHE S 478 -1.058 2.114 -5.130 1.00 0.00 C ATOM 370 CE2 PHE S 478 -3.157 1.568 -6.134 1.00 0.00 C ATOM 371 CZ PHE S 478 -2.439 2.160 -5.115 1.00 0.00 C ATOM 0 H PHE S 478 0.510 3.071 -8.434 1.00 0.00 H new ATOM 0 HA PHE S 478 1.032 0.608 -9.868 1.00 0.00 H new ATOM 0 HB2 PHE S 478 -1.107 -0.415 -8.876 1.00 0.00 H new ATOM 0 HB3 PHE S 478 0.347 -0.493 -7.901 1.00 0.00 H new ATOM 0 HD1 PHE S 478 0.677 1.441 -6.170 1.00 0.00 H new ATOM 0 HD2 PHE S 478 -3.061 0.474 -7.962 1.00 0.00 H new ATOM 0 HE1 PHE S 478 -0.493 2.577 -4.335 1.00 0.00 H new ATOM 0 HE2 PHE S 478 -4.236 1.601 -6.125 1.00 0.00 H new ATOM 0 HZ PHE S 478 -2.955 2.658 -4.308 1.00 0.00 H new ATOM 381 N GLN S 479 -1.139 0.997 -11.219 1.00 0.00 N ATOM 382 CA GLN S 479 -2.115 1.463 -12.196 1.00 0.00 C ATOM 383 C GLN S 479 -3.536 1.173 -11.725 1.00 0.00 C ATOM 384 O GLN S 479 -3.743 0.660 -10.627 1.00 0.00 O ATOM 385 CB GLN S 479 -1.866 0.797 -13.552 1.00 0.00 C ATOM 386 CG GLN S 479 -1.798 -0.719 -13.479 1.00 0.00 C ATOM 387 CD GLN S 479 -2.434 -1.389 -14.683 1.00 0.00 C ATOM 388 OE1 GLN S 479 -1.647 -2.178 -15.406 1.00 0.00 O flip ATOM 389 NE2 GLN S 479 -3.618 -1.199 -14.959 1.00 0.00 N flip ATOM 0 H GLN S 479 -0.816 0.041 -11.368 1.00 0.00 H new ATOM 0 HA GLN S 479 -2.001 2.542 -12.303 1.00 0.00 H new ATOM 0 HB2 GLN S 479 -2.661 1.084 -14.240 1.00 0.00 H new ATOM 0 HB3 GLN S 479 -0.932 1.175 -13.968 1.00 0.00 H new ATOM 0 HG2 GLN S 479 -0.756 -1.029 -13.403 1.00 0.00 H new ATOM 0 HG3 GLN S 479 -2.298 -1.058 -12.572 1.00 0.00 H new ATOM 0 HE21 GLN S 479 -4.185 -0.584 -14.375 1.00 0.00 H new ATOM 0 HE22 GLN S 479 -4.032 -1.656 -15.771 1.00 0.00 H new ATOM 398 N GLU S 480 -4.512 1.506 -12.565 1.00 0.00 N ATOM 399 CA GLU S 480 -5.913 1.281 -12.232 1.00 0.00 C ATOM 400 C GLU S 480 -6.359 -0.116 -12.653 1.00 0.00 C ATOM 401 O GLU S 480 -5.781 -0.716 -13.560 1.00 0.00 O ATOM 402 CB GLU S 480 -6.794 2.340 -12.902 1.00 0.00 C ATOM 403 CG GLU S 480 -6.950 2.148 -14.403 1.00 0.00 C ATOM 404 CD GLU S 480 -6.734 3.431 -15.181 1.00 0.00 C ATOM 405 OE1 GLU S 480 -5.953 4.286 -14.712 1.00 0.00 O ATOM 406 OE2 GLU S 480 -7.346 3.582 -16.260 1.00 0.00 O ATOM 0 H GLU S 480 -4.358 1.932 -13.479 1.00 0.00 H new ATOM 0 HA GLU S 480 -6.021 1.361 -11.150 1.00 0.00 H new ATOM 0 HB2 GLU S 480 -7.780 2.325 -12.439 1.00 0.00 H new ATOM 0 HB3 GLU S 480 -6.368 3.326 -12.713 1.00 0.00 H new ATOM 0 HG2 GLU S 480 -6.239 1.396 -14.745 1.00 0.00 H new ATOM 0 HG3 GLU S 480 -7.948 1.763 -14.614 1.00 0.00 H new ATOM 413 N GLY S 481 -7.392 -0.627 -11.991 1.00 0.00 N ATOM 414 CA GLY S 481 -7.904 -1.949 -12.311 1.00 0.00 C ATOM 415 C GLY S 481 -6.813 -3.002 -12.367 1.00 0.00 C ATOM 416 O GLY S 481 -6.603 -3.628 -13.405 1.00 0.00 O ATOM 0 H GLY S 481 -7.885 -0.149 -11.237 1.00 0.00 H new ATOM 0 HA2 GLY S 481 -8.644 -2.238 -11.565 1.00 0.00 H new ATOM 0 HA3 GLY S 481 -8.418 -1.912 -13.272 1.00 0.00 H new ATOM 420 N ASP S 482 -6.113 -3.199 -11.252 1.00 0.00 N ATOM 421 CA ASP S 482 -5.041 -4.184 -11.200 1.00 0.00 C ATOM 422 C ASP S 482 -5.161 -5.087 -9.981 1.00 0.00 C ATOM 423 O ASP S 482 -5.789 -4.733 -8.986 1.00 0.00 O ATOM 424 CB ASP S 482 -3.677 -3.491 -11.210 1.00 0.00 C ATOM 425 CG ASP S 482 -2.525 -4.460 -11.015 1.00 0.00 C ATOM 426 OD1 ASP S 482 -2.238 -5.236 -11.951 1.00 0.00 O ATOM 427 OD2 ASP S 482 -1.910 -4.440 -9.928 1.00 0.00 O ATOM 0 H ASP S 482 -6.269 -2.693 -10.380 1.00 0.00 H new ATOM 0 HA ASP S 482 -5.131 -4.811 -12.087 1.00 0.00 H new ATOM 0 HB2 ASP S 482 -3.548 -2.966 -12.156 1.00 0.00 H new ATOM 0 HB3 ASP S 482 -3.651 -2.739 -10.422 1.00 0.00 H new ATOM 432 N ILE S 483 -4.545 -6.259 -10.076 1.00 0.00 N ATOM 433 CA ILE S 483 -4.567 -7.232 -8.991 1.00 0.00 C ATOM 434 C ILE S 483 -3.433 -6.976 -8.005 1.00 0.00 C ATOM 435 O ILE S 483 -2.316 -7.460 -8.189 1.00 0.00 O ATOM 436 CB ILE S 483 -4.453 -8.673 -9.524 1.00 0.00 C ATOM 437 CG1 ILE S 483 -5.430 -8.891 -10.682 1.00 0.00 C ATOM 438 CG2 ILE S 483 -4.714 -9.672 -8.408 1.00 0.00 C ATOM 439 CD1 ILE S 483 -6.872 -8.615 -10.316 1.00 0.00 C ATOM 0 H ILE S 483 -4.021 -6.560 -10.898 1.00 0.00 H new ATOM 0 HA ILE S 483 -5.524 -7.117 -8.482 1.00 0.00 H new ATOM 0 HB ILE S 483 -3.440 -8.829 -9.895 1.00 0.00 H new ATOM 0 HG12 ILE S 483 -5.145 -8.247 -11.514 1.00 0.00 H new ATOM 0 HG13 ILE S 483 -5.343 -9.920 -11.032 1.00 0.00 H new ATOM 0 HG21 ILE S 483 -4.630 -10.686 -8.800 1.00 0.00 H new ATOM 0 HG22 ILE S 483 -3.982 -9.529 -7.613 1.00 0.00 H new ATOM 0 HG23 ILE S 483 -5.717 -9.519 -8.010 1.00 0.00 H new ATOM 0 HD11 ILE S 483 -7.508 -8.790 -11.184 1.00 0.00 H new ATOM 0 HD12 ILE S 483 -7.175 -9.278 -9.505 1.00 0.00 H new ATOM 0 HD13 ILE S 483 -6.974 -7.578 -9.995 1.00 0.00 H new ATOM 451 N ILE S 484 -3.730 -6.214 -6.960 1.00 0.00 N ATOM 452 CA ILE S 484 -2.740 -5.889 -5.944 1.00 0.00 C ATOM 453 C ILE S 484 -2.770 -6.899 -4.804 1.00 0.00 C ATOM 454 O ILE S 484 -3.770 -7.584 -4.592 1.00 0.00 O ATOM 455 CB ILE S 484 -2.973 -4.480 -5.368 1.00 0.00 C ATOM 456 CG1 ILE S 484 -2.912 -3.439 -6.483 1.00 0.00 C ATOM 457 CG2 ILE S 484 -1.955 -4.158 -4.283 1.00 0.00 C ATOM 458 CD1 ILE S 484 -3.543 -2.123 -6.100 1.00 0.00 C ATOM 0 H ILE S 484 -4.651 -5.809 -6.795 1.00 0.00 H new ATOM 0 HA ILE S 484 -1.765 -5.922 -6.430 1.00 0.00 H new ATOM 0 HB ILE S 484 -3.965 -4.455 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE S 484 -1.871 -3.270 -6.757 1.00 0.00 H new ATOM 0 HG13 ILE S 484 -3.414 -3.832 -7.367 1.00 0.00 H new ATOM 0 HG21 ILE S 484 -2.142 -3.157 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE S 484 -2.043 -4.884 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE S 484 -0.950 -4.202 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE S 484 -3.467 -1.426 -6.935 1.00 0.00 H new ATOM 0 HD12 ILE S 484 -4.593 -2.281 -5.854 1.00 0.00 H new ATOM 0 HD13 ILE S 484 -3.025 -1.710 -5.234 1.00 0.00 H new ATOM 470 N LEU S 485 -1.668 -6.975 -4.067 1.00 0.00 N ATOM 471 CA LEU S 485 -1.566 -7.889 -2.941 1.00 0.00 C ATOM 472 C LEU S 485 -1.413 -7.111 -1.641 1.00 0.00 C ATOM 473 O LEU S 485 -0.314 -6.684 -1.285 1.00 0.00 O ATOM 474 CB LEU S 485 -0.378 -8.841 -3.138 1.00 0.00 C ATOM 475 CG LEU S 485 0.052 -9.660 -1.909 1.00 0.00 C ATOM 476 CD1 LEU S 485 1.140 -8.931 -1.136 1.00 0.00 C ATOM 477 CD2 LEU S 485 -1.135 -9.963 -1.001 1.00 0.00 C ATOM 0 H LEU S 485 -0.833 -6.413 -4.231 1.00 0.00 H new ATOM 0 HA LEU S 485 -2.480 -8.480 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU S 485 -0.625 -9.535 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU S 485 0.477 -8.255 -3.475 1.00 0.00 H new ATOM 0 HG LEU S 485 0.452 -10.609 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU S 485 1.432 -9.525 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU S 485 2.006 -8.780 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU S 485 0.764 -7.964 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU S 485 -0.797 -10.543 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU S 485 -1.577 -9.028 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU S 485 -1.880 -10.535 -1.555 1.00 0.00 H new ATOM 489 N VAL S 486 -2.518 -6.940 -0.930 1.00 0.00 N ATOM 490 CA VAL S 486 -2.492 -6.228 0.340 1.00 0.00 C ATOM 491 C VAL S 486 -1.718 -7.047 1.345 1.00 0.00 C ATOM 492 O VAL S 486 -2.155 -8.123 1.720 1.00 0.00 O ATOM 493 CB VAL S 486 -3.895 -5.979 0.939 1.00 0.00 C ATOM 494 CG1 VAL S 486 -3.904 -4.704 1.755 1.00 0.00 C ATOM 495 CG2 VAL S 486 -4.982 -5.938 -0.125 1.00 0.00 C ATOM 0 H VAL S 486 -3.438 -7.282 -1.208 1.00 0.00 H new ATOM 0 HA VAL S 486 -2.033 -5.260 0.139 1.00 0.00 H new ATOM 0 HB VAL S 486 -4.118 -6.823 1.592 1.00 0.00 H new ATOM 0 HG11 VAL S 486 -4.899 -4.544 2.169 1.00 0.00 H new ATOM 0 HG12 VAL S 486 -3.182 -4.787 2.567 1.00 0.00 H new ATOM 0 HG13 VAL S 486 -3.637 -3.862 1.117 1.00 0.00 H new ATOM 0 HG21 VAL S 486 -5.948 -5.761 0.348 1.00 0.00 H new ATOM 0 HG22 VAL S 486 -4.770 -5.134 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL S 486 -5.007 -6.890 -0.656 1.00 0.00 H new ATOM 505 N LEU S 487 -0.573 -6.556 1.778 1.00 0.00 N ATOM 506 CA LEU S 487 0.217 -7.306 2.740 1.00 0.00 C ATOM 507 C LEU S 487 -0.315 -7.142 4.159 1.00 0.00 C ATOM 508 O LEU S 487 -0.056 -7.981 5.021 1.00 0.00 O ATOM 509 CB LEU S 487 1.681 -6.891 2.675 1.00 0.00 C ATOM 510 CG LEU S 487 2.544 -7.707 1.707 1.00 0.00 C ATOM 511 CD1 LEU S 487 4.017 -7.416 1.933 1.00 0.00 C ATOM 512 CD2 LEU S 487 2.268 -9.199 1.861 1.00 0.00 C ATOM 0 H LEU S 487 -0.174 -5.663 1.489 1.00 0.00 H new ATOM 0 HA LEU S 487 0.136 -8.360 2.474 1.00 0.00 H new ATOM 0 HB2 LEU S 487 1.733 -5.841 2.387 1.00 0.00 H new ATOM 0 HB3 LEU S 487 2.110 -6.969 3.674 1.00 0.00 H new ATOM 0 HG LEU S 487 2.283 -7.414 0.690 1.00 0.00 H new ATOM 0 HD11 LEU S 487 4.615 -8.004 1.237 1.00 0.00 H new ATOM 0 HD12 LEU S 487 4.208 -6.355 1.769 1.00 0.00 H new ATOM 0 HD13 LEU S 487 4.287 -7.679 2.956 1.00 0.00 H new ATOM 0 HD21 LEU S 487 2.892 -9.758 1.164 1.00 0.00 H new ATOM 0 HD22 LEU S 487 2.497 -9.508 2.881 1.00 0.00 H new ATOM 0 HD23 LEU S 487 1.218 -9.399 1.648 1.00 0.00 H new ATOM 524 N SER S 488 -1.064 -6.070 4.396 1.00 0.00 N ATOM 525 CA SER S 488 -1.635 -5.804 5.722 1.00 0.00 C ATOM 526 C SER S 488 -2.203 -4.393 5.810 1.00 0.00 C ATOM 527 O SER S 488 -1.880 -3.532 4.995 1.00 0.00 O ATOM 528 CB SER S 488 -0.573 -5.959 6.818 1.00 0.00 C ATOM 529 OG SER S 488 -1.153 -6.397 8.034 1.00 0.00 O ATOM 0 H SER S 488 -1.293 -5.369 3.691 1.00 0.00 H new ATOM 0 HA SER S 488 -2.434 -6.530 5.870 1.00 0.00 H new ATOM 0 HB2 SER S 488 0.185 -6.673 6.495 1.00 0.00 H new ATOM 0 HB3 SER S 488 -0.067 -5.006 6.975 1.00 0.00 H new ATOM 0 HG SER S 488 -0.454 -6.489 8.715 1.00 0.00 H new ATOM 535 N LYS S 489 -3.019 -4.155 6.834 1.00 0.00 N ATOM 536 CA LYS S 489 -3.593 -2.835 7.058 1.00 0.00 C ATOM 537 C LYS S 489 -2.550 -1.956 7.733 1.00 0.00 C ATOM 538 O LYS S 489 -1.894 -2.386 8.681 1.00 0.00 O ATOM 539 CB LYS S 489 -4.848 -2.934 7.929 1.00 0.00 C ATOM 540 CG LYS S 489 -5.754 -1.717 7.831 1.00 0.00 C ATOM 541 CD LYS S 489 -6.477 -1.666 6.494 1.00 0.00 C ATOM 542 CE LYS S 489 -7.884 -2.230 6.600 1.00 0.00 C ATOM 543 NZ LYS S 489 -8.324 -2.869 5.329 1.00 0.00 N ATOM 0 H LYS S 489 -3.296 -4.858 7.519 1.00 0.00 H new ATOM 0 HA LYS S 489 -3.882 -2.397 6.102 1.00 0.00 H new ATOM 0 HB2 LYS S 489 -5.412 -3.821 7.640 1.00 0.00 H new ATOM 0 HB3 LYS S 489 -4.549 -3.071 8.968 1.00 0.00 H new ATOM 0 HG2 LYS S 489 -6.484 -1.740 8.640 1.00 0.00 H new ATOM 0 HG3 LYS S 489 -5.163 -0.811 7.961 1.00 0.00 H new ATOM 0 HD2 LYS S 489 -6.523 -0.635 6.143 1.00 0.00 H new ATOM 0 HD3 LYS S 489 -5.912 -2.231 5.752 1.00 0.00 H new ATOM 0 HE2 LYS S 489 -7.922 -2.962 7.406 1.00 0.00 H new ATOM 0 HE3 LYS S 489 -8.577 -1.430 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS S 489 -9.288 -3.241 5.443 1.00 0.00 H new ATOM 0 HZ2 LYS S 489 -8.313 -2.164 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS S 489 -7.678 -3.649 5.091 1.00 0.00 H new ATOM 557 N VAL S 490 -2.360 -0.742 7.227 1.00 0.00 N ATOM 558 CA VAL S 490 -1.346 0.144 7.793 1.00 0.00 C ATOM 559 C VAL S 490 -1.943 1.329 8.560 1.00 0.00 C ATOM 560 O VAL S 490 -1.322 1.835 9.494 1.00 0.00 O ATOM 561 CB VAL S 490 -0.367 0.631 6.699 1.00 0.00 C ATOM 562 CG1 VAL S 490 0.570 1.706 7.230 1.00 0.00 C ATOM 563 CG2 VAL S 490 0.438 -0.544 6.159 1.00 0.00 C ATOM 0 H VAL S 490 -2.882 -0.353 6.442 1.00 0.00 H new ATOM 0 HA VAL S 490 -0.793 -0.447 8.523 1.00 0.00 H new ATOM 0 HB VAL S 490 -0.955 1.068 5.892 1.00 0.00 H new ATOM 0 HG11 VAL S 490 1.244 2.026 6.436 1.00 0.00 H new ATOM 0 HG12 VAL S 490 -0.014 2.559 7.576 1.00 0.00 H new ATOM 0 HG13 VAL S 490 1.152 1.304 8.060 1.00 0.00 H new ATOM 0 HG21 VAL S 490 1.125 -0.192 5.389 1.00 0.00 H new ATOM 0 HG22 VAL S 490 1.006 -1.000 6.970 1.00 0.00 H new ATOM 0 HG23 VAL S 490 -0.239 -1.283 5.730 1.00 0.00 H new ATOM 573 N ASN S 491 -3.143 1.771 8.192 1.00 0.00 N ATOM 574 CA ASN S 491 -3.772 2.887 8.899 1.00 0.00 C ATOM 575 C ASN S 491 -5.169 3.189 8.349 1.00 0.00 C ATOM 576 O ASN S 491 -5.590 4.344 8.300 1.00 0.00 O ATOM 577 CB ASN S 491 -2.873 4.136 8.840 1.00 0.00 C ATOM 578 CG ASN S 491 -3.118 5.012 7.624 1.00 0.00 C ATOM 579 OD1 ASN S 491 -3.681 4.568 6.624 1.00 0.00 O ATOM 580 ND2 ASN S 491 -2.695 6.268 7.709 1.00 0.00 N ATOM 0 H ASN S 491 -3.692 1.384 7.424 1.00 0.00 H new ATOM 0 HA ASN S 491 -3.892 2.596 9.943 1.00 0.00 H new ATOM 0 HB2 ASN S 491 -3.031 4.729 9.741 1.00 0.00 H new ATOM 0 HB3 ASN S 491 -1.829 3.821 8.845 1.00 0.00 H new ATOM 0 HD21 ASN S 491 -2.832 6.907 6.926 1.00 0.00 H new ATOM 0 HD22 ASN S 491 -2.233 6.594 8.558 1.00 0.00 H new ATOM 587 N GLU S 492 -5.885 2.145 7.940 1.00 0.00 N ATOM 588 CA GLU S 492 -7.232 2.307 7.396 1.00 0.00 C ATOM 589 C GLU S 492 -7.183 2.931 6.004 1.00 0.00 C ATOM 590 O GLU S 492 -7.660 2.344 5.033 1.00 0.00 O ATOM 591 CB GLU S 492 -8.090 3.170 8.326 1.00 0.00 C ATOM 592 CG GLU S 492 -9.581 2.889 8.215 1.00 0.00 C ATOM 593 CD GLU S 492 -10.296 3.887 7.324 1.00 0.00 C ATOM 594 OE1 GLU S 492 -10.623 4.989 7.812 1.00 0.00 O ATOM 595 OE2 GLU S 492 -10.529 3.565 6.141 1.00 0.00 O ATOM 0 H GLU S 492 -5.557 1.180 7.974 1.00 0.00 H new ATOM 0 HA GLU S 492 -7.684 1.318 7.319 1.00 0.00 H new ATOM 0 HB2 GLU S 492 -7.773 3.005 9.356 1.00 0.00 H new ATOM 0 HB3 GLU S 492 -7.909 4.221 8.102 1.00 0.00 H new ATOM 0 HG2 GLU S 492 -9.730 1.884 7.821 1.00 0.00 H new ATOM 0 HG3 GLU S 492 -10.026 2.911 9.210 1.00 0.00 H new ATOM 602 N GLU S 493 -6.591 4.119 5.913 1.00 0.00 N ATOM 603 CA GLU S 493 -6.465 4.817 4.637 1.00 0.00 C ATOM 604 C GLU S 493 -5.162 4.433 3.937 1.00 0.00 C ATOM 605 O GLU S 493 -4.775 5.046 2.942 1.00 0.00 O ATOM 606 CB GLU S 493 -6.519 6.331 4.852 1.00 0.00 C ATOM 607 CG GLU S 493 -7.431 7.051 3.873 1.00 0.00 C ATOM 608 CD GLU S 493 -8.893 6.960 4.264 1.00 0.00 C ATOM 609 OE1 GLU S 493 -9.250 6.027 5.012 1.00 0.00 O ATOM 610 OE2 GLU S 493 -9.681 7.822 3.821 1.00 0.00 O ATOM 0 H GLU S 493 -6.191 4.618 6.708 1.00 0.00 H new ATOM 0 HA GLU S 493 -7.300 4.520 4.002 1.00 0.00 H new ATOM 0 HB2 GLU S 493 -6.858 6.534 5.868 1.00 0.00 H new ATOM 0 HB3 GLU S 493 -5.512 6.738 4.765 1.00 0.00 H new ATOM 0 HG2 GLU S 493 -7.139 8.100 3.814 1.00 0.00 H new ATOM 0 HG3 GLU S 493 -7.298 6.626 2.878 1.00 0.00 H new ATOM 617 N TRP S 494 -4.498 3.405 4.460 1.00 0.00 N ATOM 618 CA TRP S 494 -3.246 2.920 3.898 1.00 0.00 C ATOM 619 C TRP S 494 -2.991 1.491 4.349 1.00 0.00 C ATOM 620 O TRP S 494 -3.579 1.021 5.322 1.00 0.00 O ATOM 621 CB TRP S 494 -2.068 3.793 4.324 1.00 0.00 C ATOM 622 CG TRP S 494 -2.116 5.192 3.795 1.00 0.00 C ATOM 623 CD1 TRP S 494 -2.775 6.251 4.346 1.00 0.00 C ATOM 624 CD2 TRP S 494 -1.463 5.692 2.622 1.00 0.00 C ATOM 625 NE1 TRP S 494 -2.563 7.380 3.594 1.00 0.00 N ATOM 626 CE2 TRP S 494 -1.772 7.060 2.528 1.00 0.00 C ATOM 627 CE3 TRP S 494 -0.647 5.119 1.641 1.00 0.00 C ATOM 628 CZ2 TRP S 494 -1.298 7.865 1.502 1.00 0.00 C ATOM 629 CZ3 TRP S 494 -0.173 5.922 0.618 1.00 0.00 C ATOM 630 CH2 TRP S 494 -0.502 7.283 0.557 1.00 0.00 C ATOM 0 H TRP S 494 -4.813 2.889 5.281 1.00 0.00 H new ATOM 0 HA TRP S 494 -3.335 2.960 2.812 1.00 0.00 H new ATOM 0 HB2 TRP S 494 -2.033 3.830 5.413 1.00 0.00 H new ATOM 0 HB3 TRP S 494 -1.143 3.323 3.991 1.00 0.00 H new ATOM 0 HD1 TRP S 494 -3.376 6.208 5.243 1.00 0.00 H new ATOM 0 HE1 TRP S 494 -2.936 8.307 3.798 1.00 0.00 H new ATOM 0 HE3 TRP S 494 -0.392 4.070 1.681 1.00 0.00 H new ATOM 0 HZ2 TRP S 494 -1.549 8.914 1.452 1.00 0.00 H new ATOM 0 HZ3 TRP S 494 0.460 5.493 -0.145 1.00 0.00 H new ATOM 0 HH2 TRP S 494 -0.118 7.884 -0.254 1.00 0.00 H new ATOM 641 N LEU S 495 -2.113 0.809 3.636 1.00 0.00 N ATOM 642 CA LEU S 495 -1.779 -0.562 3.954 1.00 0.00 C ATOM 643 C LEU S 495 -0.455 -0.962 3.333 1.00 0.00 C ATOM 644 O LEU S 495 0.148 -0.193 2.584 1.00 0.00 O ATOM 645 CB LEU S 495 -2.890 -1.495 3.490 1.00 0.00 C ATOM 646 CG LEU S 495 -3.694 -1.006 2.284 1.00 0.00 C ATOM 647 CD1 LEU S 495 -3.298 -1.758 1.023 1.00 0.00 C ATOM 648 CD2 LEU S 495 -5.178 -1.157 2.565 1.00 0.00 C ATOM 0 H LEU S 495 -1.617 1.187 2.829 1.00 0.00 H new ATOM 0 HA LEU S 495 -1.678 -0.645 5.036 1.00 0.00 H new ATOM 0 HB2 LEU S 495 -2.451 -2.462 3.245 1.00 0.00 H new ATOM 0 HB3 LEU S 495 -3.576 -1.658 4.321 1.00 0.00 H new ATOM 0 HG LEU S 495 -3.473 0.048 2.118 1.00 0.00 H new ATOM 0 HD11 LEU S 495 -3.885 -1.391 0.181 1.00 0.00 H new ATOM 0 HD12 LEU S 495 -2.238 -1.600 0.823 1.00 0.00 H new ATOM 0 HD13 LEU S 495 -3.487 -2.823 1.160 1.00 0.00 H new ATOM 0 HD21 LEU S 495 -5.749 -0.808 1.704 1.00 0.00 H new ATOM 0 HD22 LEU S 495 -5.408 -2.206 2.752 1.00 0.00 H new ATOM 0 HD23 LEU S 495 -5.444 -0.566 3.441 1.00 0.00 H new ATOM 660 N GLU S 496 -0.004 -2.169 3.645 1.00 0.00 N ATOM 661 CA GLU S 496 1.251 -2.661 3.111 1.00 0.00 C ATOM 662 C GLU S 496 1.051 -3.143 1.686 1.00 0.00 C ATOM 663 O GLU S 496 0.164 -3.950 1.410 1.00 0.00 O ATOM 664 CB GLU S 496 1.806 -3.782 3.988 1.00 0.00 C ATOM 665 CG GLU S 496 3.213 -4.214 3.607 1.00 0.00 C ATOM 666 CD GLU S 496 3.738 -5.332 4.488 1.00 0.00 C ATOM 667 OE1 GLU S 496 3.129 -5.592 5.546 1.00 0.00 O ATOM 668 OE2 GLU S 496 4.757 -5.947 4.116 1.00 0.00 O ATOM 0 H GLU S 496 -0.488 -2.820 4.263 1.00 0.00 H new ATOM 0 HA GLU S 496 1.976 -1.847 3.107 1.00 0.00 H new ATOM 0 HB2 GLU S 496 1.805 -3.453 5.027 1.00 0.00 H new ATOM 0 HB3 GLU S 496 1.141 -4.644 3.926 1.00 0.00 H new ATOM 0 HG2 GLU S 496 3.220 -4.542 2.567 1.00 0.00 H new ATOM 0 HG3 GLU S 496 3.883 -3.357 3.675 1.00 0.00 H new ATOM 675 N GLY S 497 1.854 -2.608 0.778 1.00 0.00 N ATOM 676 CA GLY S 497 1.720 -2.961 -0.614 1.00 0.00 C ATOM 677 C GLY S 497 2.905 -3.720 -1.181 1.00 0.00 C ATOM 678 O GLY S 497 4.038 -3.245 -1.139 1.00 0.00 O ATOM 0 H GLY S 497 2.594 -1.937 0.983 1.00 0.00 H new ATOM 0 HA2 GLY S 497 0.822 -3.566 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY S 497 1.574 -2.051 -1.196 1.00 0.00 H new ATOM 682 N GLU S 498 2.629 -4.894 -1.738 1.00 0.00 N ATOM 683 CA GLU S 498 3.660 -5.724 -2.351 1.00 0.00 C ATOM 684 C GLU S 498 3.158 -6.244 -3.695 1.00 0.00 C ATOM 685 O GLU S 498 2.441 -7.242 -3.754 1.00 0.00 O ATOM 686 CB GLU S 498 4.028 -6.894 -1.436 1.00 0.00 C ATOM 687 CG GLU S 498 5.514 -7.213 -1.426 1.00 0.00 C ATOM 688 CD GLU S 498 5.802 -8.668 -1.744 1.00 0.00 C ATOM 689 OE1 GLU S 498 5.360 -9.543 -0.970 1.00 0.00 O ATOM 690 OE2 GLU S 498 6.471 -8.932 -2.766 1.00 0.00 O ATOM 0 H GLU S 498 1.692 -5.295 -1.778 1.00 0.00 H new ATOM 0 HA GLU S 498 4.555 -5.121 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU S 498 3.707 -6.665 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU S 498 3.477 -7.779 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU S 498 6.023 -6.579 -2.152 1.00 0.00 H new ATOM 0 HG3 GLU S 498 5.927 -6.971 -0.447 1.00 0.00 H new ATOM 697 N SER S 499 3.510 -5.545 -4.772 1.00 0.00 N ATOM 698 CA SER S 499 3.062 -5.931 -6.104 1.00 0.00 C ATOM 699 C SER S 499 4.227 -6.078 -7.080 1.00 0.00 C ATOM 700 O SER S 499 4.876 -5.099 -7.447 1.00 0.00 O ATOM 701 CB SER S 499 2.064 -4.901 -6.644 1.00 0.00 C ATOM 702 OG SER S 499 1.691 -5.203 -7.977 1.00 0.00 O ATOM 0 H SER S 499 4.101 -4.714 -4.747 1.00 0.00 H new ATOM 0 HA SER S 499 2.577 -6.903 -6.014 1.00 0.00 H new ATOM 0 HB2 SER S 499 1.177 -4.882 -6.010 1.00 0.00 H new ATOM 0 HB3 SER S 499 2.506 -3.906 -6.603 1.00 0.00 H new ATOM 0 HG SER S 499 1.053 -4.532 -8.298 1.00 0.00 H new ATOM 708 N LYS S 500 4.466 -7.313 -7.507 1.00 0.00 N ATOM 709 CA LYS S 500 5.530 -7.615 -8.462 1.00 0.00 C ATOM 710 C LYS S 500 6.912 -7.305 -7.894 1.00 0.00 C ATOM 711 O LYS S 500 7.459 -6.228 -8.129 1.00 0.00 O ATOM 712 CB LYS S 500 5.314 -6.836 -9.759 1.00 0.00 C ATOM 713 CG LYS S 500 4.473 -7.581 -10.783 1.00 0.00 C ATOM 714 CD LYS S 500 3.019 -7.675 -10.350 1.00 0.00 C ATOM 715 CE LYS S 500 2.446 -9.058 -10.615 1.00 0.00 C ATOM 716 NZ LYS S 500 0.976 -9.104 -10.388 1.00 0.00 N ATOM 0 H LYS S 500 3.933 -8.129 -7.205 1.00 0.00 H new ATOM 0 HA LYS S 500 5.488 -8.685 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS S 500 4.832 -5.886 -9.527 1.00 0.00 H new ATOM 0 HB3 LYS S 500 6.284 -6.602 -10.198 1.00 0.00 H new ATOM 0 HG2 LYS S 500 4.535 -7.072 -11.745 1.00 0.00 H new ATOM 0 HG3 LYS S 500 4.876 -8.583 -10.926 1.00 0.00 H new ATOM 0 HD2 LYS S 500 2.939 -7.445 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS S 500 2.431 -6.928 -10.883 1.00 0.00 H new ATOM 0 HE2 LYS S 500 2.664 -9.350 -11.642 1.00 0.00 H new ATOM 0 HE3 LYS S 500 2.936 -9.784 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS S 500 0.625 -10.064 -10.580 1.00 0.00 H new ATOM 0 HZ2 LYS S 500 0.769 -8.850 -9.401 1.00 0.00 H new ATOM 0 HZ3 LYS S 500 0.505 -8.430 -11.025 1.00 0.00 H new ATOM 730 N GLY S 501 7.475 -8.268 -7.163 1.00 0.00 N ATOM 731 CA GLY S 501 8.801 -8.108 -6.577 1.00 0.00 C ATOM 732 C GLY S 501 9.110 -6.683 -6.154 1.00 0.00 C ATOM 733 O GLY S 501 10.208 -6.182 -6.397 1.00 0.00 O ATOM 0 H GLY S 501 7.032 -9.165 -6.964 1.00 0.00 H new ATOM 0 HA2 GLY S 501 8.887 -8.763 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY S 501 9.550 -8.435 -7.299 1.00 0.00 H new ATOM 737 N LYS S 502 8.144 -6.035 -5.515 1.00 0.00 N ATOM 738 CA LYS S 502 8.319 -4.666 -5.054 1.00 0.00 C ATOM 739 C LYS S 502 7.466 -4.414 -3.825 1.00 0.00 C ATOM 740 O LYS S 502 6.251 -4.615 -3.847 1.00 0.00 O ATOM 741 CB LYS S 502 7.958 -3.673 -6.158 1.00 0.00 C ATOM 742 CG LYS S 502 9.138 -3.291 -7.034 1.00 0.00 C ATOM 743 CD LYS S 502 8.733 -3.171 -8.496 1.00 0.00 C ATOM 744 CE LYS S 502 9.411 -1.985 -9.165 1.00 0.00 C ATOM 745 NZ LYS S 502 9.034 -1.868 -10.600 1.00 0.00 N ATOM 0 H LYS S 502 7.231 -6.437 -5.305 1.00 0.00 H new ATOM 0 HA LYS S 502 9.368 -4.523 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS S 502 7.176 -4.104 -6.783 1.00 0.00 H new ATOM 0 HB3 LYS S 502 7.544 -2.772 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS S 502 9.554 -2.343 -6.692 1.00 0.00 H new ATOM 0 HG3 LYS S 502 9.924 -4.039 -6.934 1.00 0.00 H new ATOM 0 HD2 LYS S 502 8.996 -4.088 -9.024 1.00 0.00 H new ATOM 0 HD3 LYS S 502 7.651 -3.061 -8.567 1.00 0.00 H new ATOM 0 HE2 LYS S 502 9.138 -1.068 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS S 502 10.493 -2.090 -9.081 1.00 0.00 H new ATOM 0 HZ1 LYS S 502 9.517 -1.048 -11.020 1.00 0.00 H new ATOM 0 HZ2 LYS S 502 9.317 -2.732 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS S 502 8.005 -1.742 -10.679 1.00 0.00 H new ATOM 759 N VAL S 503 8.107 -3.985 -2.750 1.00 0.00 N ATOM 760 CA VAL S 503 7.401 -3.720 -1.509 1.00 0.00 C ATOM 761 C VAL S 503 7.221 -2.227 -1.271 1.00 0.00 C ATOM 762 O VAL S 503 8.092 -1.417 -1.593 1.00 0.00 O ATOM 763 CB VAL S 503 8.123 -4.349 -0.303 1.00 0.00 C ATOM 764 CG1 VAL S 503 7.274 -4.228 0.955 1.00 0.00 C ATOM 765 CG2 VAL S 503 8.459 -5.805 -0.590 1.00 0.00 C ATOM 0 H VAL S 503 9.112 -3.814 -2.712 1.00 0.00 H new ATOM 0 HA VAL S 503 6.417 -4.178 -1.609 1.00 0.00 H new ATOM 0 HB VAL S 503 9.054 -3.807 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL S 503 7.802 -4.679 1.795 1.00 0.00 H new ATOM 0 HG12 VAL S 503 7.086 -3.176 1.167 1.00 0.00 H new ATOM 0 HG13 VAL S 503 6.325 -4.743 0.805 1.00 0.00 H new ATOM 0 HG21 VAL S 503 8.969 -6.237 0.271 1.00 0.00 H new ATOM 0 HG22 VAL S 503 7.540 -6.359 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL S 503 9.108 -5.863 -1.463 1.00 0.00 H new ATOM 775 N GLY S 504 6.075 -1.881 -0.706 1.00 0.00 N ATOM 776 CA GLY S 504 5.749 -0.501 -0.419 1.00 0.00 C ATOM 777 C GLY S 504 4.413 -0.407 0.285 1.00 0.00 C ATOM 778 O GLY S 504 4.044 -1.319 1.023 1.00 0.00 O ATOM 0 H GLY S 504 5.351 -2.547 -0.436 1.00 0.00 H new ATOM 0 HA2 GLY S 504 6.527 -0.060 0.204 1.00 0.00 H new ATOM 0 HA3 GLY S 504 5.719 0.072 -1.346 1.00 0.00 H new ATOM 782 N ILE S 505 3.679 0.675 0.054 1.00 0.00 N ATOM 783 CA ILE S 505 2.372 0.845 0.679 1.00 0.00 C ATOM 784 C ILE S 505 1.453 1.697 -0.177 1.00 0.00 C ATOM 785 O ILE S 505 1.910 2.503 -0.982 1.00 0.00 O ATOM 786 CB ILE S 505 2.481 1.466 2.080 1.00 0.00 C ATOM 787 CG1 ILE S 505 3.514 2.596 2.096 1.00 0.00 C ATOM 788 CG2 ILE S 505 2.838 0.391 3.089 1.00 0.00 C ATOM 789 CD1 ILE S 505 3.190 3.693 3.087 1.00 0.00 C ATOM 0 H ILE S 505 3.963 1.442 -0.556 1.00 0.00 H new ATOM 0 HA ILE S 505 1.947 -0.154 0.774 1.00 0.00 H new ATOM 0 HB ILE S 505 1.517 1.897 2.351 1.00 0.00 H new ATOM 0 HG12 ILE S 505 4.493 2.180 2.333 1.00 0.00 H new ATOM 0 HG13 ILE S 505 3.585 3.028 1.098 1.00 0.00 H new ATOM 0 HG21 ILE S 505 2.915 0.835 4.082 1.00 0.00 H new ATOM 0 HG22 ILE S 505 2.063 -0.376 3.093 1.00 0.00 H new ATOM 0 HG23 ILE S 505 3.793 -0.059 2.818 1.00 0.00 H new ATOM 0 HD11 ILE S 505 3.963 4.461 3.046 1.00 0.00 H new ATOM 0 HD12 ILE S 505 2.225 4.135 2.838 1.00 0.00 H new ATOM 0 HD13 ILE S 505 3.148 3.274 4.092 1.00 0.00 H new ATOM 801 N PHE S 506 0.152 1.509 -0.004 1.00 0.00 N ATOM 802 CA PHE S 506 -0.819 2.269 -0.782 1.00 0.00 C ATOM 803 C PHE S 506 -2.156 2.408 -0.059 1.00 0.00 C ATOM 804 O PHE S 506 -2.503 1.592 0.795 1.00 0.00 O ATOM 805 CB PHE S 506 -1.037 1.604 -2.142 1.00 0.00 C ATOM 806 CG PHE S 506 -1.673 0.247 -2.054 1.00 0.00 C ATOM 807 CD1 PHE S 506 -0.915 -0.868 -1.739 1.00 0.00 C ATOM 808 CD2 PHE S 506 -3.029 0.087 -2.288 1.00 0.00 C ATOM 809 CE1 PHE S 506 -1.496 -2.120 -1.660 1.00 0.00 C ATOM 810 CE2 PHE S 506 -3.616 -1.162 -2.210 1.00 0.00 C ATOM 811 CZ PHE S 506 -2.849 -2.267 -1.896 1.00 0.00 C ATOM 0 H PHE S 506 -0.252 0.847 0.658 1.00 0.00 H new ATOM 0 HA PHE S 506 -0.411 3.270 -0.919 1.00 0.00 H new ATOM 0 HB2 PHE S 506 -1.664 2.250 -2.756 1.00 0.00 H new ATOM 0 HB3 PHE S 506 -0.077 1.514 -2.651 1.00 0.00 H new ATOM 0 HD1 PHE S 506 0.143 -0.758 -1.553 1.00 0.00 H new ATOM 0 HD2 PHE S 506 -3.634 0.947 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE S 506 -0.893 -2.982 -1.414 1.00 0.00 H new ATOM 0 HE2 PHE S 506 -4.674 -1.274 -2.395 1.00 0.00 H new ATOM 0 HZ PHE S 506 -3.306 -3.244 -1.835 1.00 0.00 H new ATOM 821 N PRO S 507 -2.928 3.455 -0.407 1.00 0.00 N ATOM 822 CA PRO S 507 -4.237 3.717 0.191 1.00 0.00 C ATOM 823 C PRO S 507 -5.304 2.747 -0.312 1.00 0.00 C ATOM 824 O PRO S 507 -5.537 2.634 -1.515 1.00 0.00 O ATOM 825 CB PRO S 507 -4.566 5.153 -0.255 1.00 0.00 C ATOM 826 CG PRO S 507 -3.328 5.671 -0.911 1.00 0.00 C ATOM 827 CD PRO S 507 -2.592 4.467 -1.413 1.00 0.00 C ATOM 0 HA PRO S 507 -4.219 3.592 1.274 1.00 0.00 H new ATOM 0 HB2 PRO S 507 -5.408 5.164 -0.947 1.00 0.00 H new ATOM 0 HB3 PRO S 507 -4.845 5.773 0.597 1.00 0.00 H new ATOM 0 HG2 PRO S 507 -3.574 6.347 -1.730 1.00 0.00 H new ATOM 0 HG3 PRO S 507 -2.719 6.234 -0.204 1.00 0.00 H new ATOM 0 HD2 PRO S 507 -2.922 4.175 -2.410 1.00 0.00 H new ATOM 0 HD3 PRO S 507 -1.518 4.642 -1.471 1.00 0.00 H new ATOM 835 N LYS S 508 -5.945 2.045 0.619 1.00 0.00 N ATOM 836 CA LYS S 508 -6.983 1.078 0.284 1.00 0.00 C ATOM 837 C LYS S 508 -8.042 1.681 -0.634 1.00 0.00 C ATOM 838 O LYS S 508 -8.636 0.979 -1.453 1.00 0.00 O ATOM 839 CB LYS S 508 -7.639 0.570 1.568 1.00 0.00 C ATOM 840 CG LYS S 508 -8.156 -0.852 1.464 1.00 0.00 C ATOM 841 CD LYS S 508 -9.663 -0.919 1.660 1.00 0.00 C ATOM 842 CE LYS S 508 -10.393 -1.053 0.332 1.00 0.00 C ATOM 843 NZ LYS S 508 -10.769 -2.464 0.046 1.00 0.00 N ATOM 0 H LYS S 508 -5.761 2.130 1.619 1.00 0.00 H new ATOM 0 HA LYS S 508 -6.515 0.251 -0.249 1.00 0.00 H new ATOM 0 HB2 LYS S 508 -6.916 0.626 2.382 1.00 0.00 H new ATOM 0 HB3 LYS S 508 -8.466 1.230 1.829 1.00 0.00 H new ATOM 0 HG2 LYS S 508 -7.897 -1.263 0.488 1.00 0.00 H new ATOM 0 HG3 LYS S 508 -7.664 -1.474 2.212 1.00 0.00 H new ATOM 0 HD2 LYS S 508 -9.910 -1.766 2.299 1.00 0.00 H new ATOM 0 HD3 LYS S 508 -10.004 -0.021 2.175 1.00 0.00 H new ATOM 0 HE2 LYS S 508 -11.290 -0.434 0.347 1.00 0.00 H new ATOM 0 HE3 LYS S 508 -9.759 -0.676 -0.471 1.00 0.00 H new ATOM 0 HZ1 LYS S 508 -10.493 -2.707 -0.927 1.00 0.00 H new ATOM 0 HZ2 LYS S 508 -10.280 -3.095 0.712 1.00 0.00 H new ATOM 0 HZ3 LYS S 508 -11.797 -2.578 0.152 1.00 0.00 H new ATOM 857 N VAL S 509 -8.278 2.983 -0.496 1.00 0.00 N ATOM 858 CA VAL S 509 -9.270 3.672 -1.319 1.00 0.00 C ATOM 859 C VAL S 509 -9.057 3.379 -2.806 1.00 0.00 C ATOM 860 O VAL S 509 -9.994 3.443 -3.600 1.00 0.00 O ATOM 861 CB VAL S 509 -9.233 5.200 -1.084 1.00 0.00 C ATOM 862 CG1 VAL S 509 -7.803 5.711 -1.101 1.00 0.00 C ATOM 863 CG2 VAL S 509 -10.077 5.932 -2.119 1.00 0.00 C ATOM 0 H VAL S 509 -7.798 3.582 0.176 1.00 0.00 H new ATOM 0 HA VAL S 509 -10.248 3.294 -1.021 1.00 0.00 H new ATOM 0 HB VAL S 509 -9.657 5.400 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL S 509 -7.800 6.788 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL S 509 -7.232 5.220 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL S 509 -7.350 5.492 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL S 509 -10.034 7.005 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL S 509 -9.691 5.723 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL S 509 -11.111 5.593 -2.051 1.00 0.00 H new ATOM 873 N PHE S 510 -7.820 3.055 -3.174 1.00 0.00 N ATOM 874 CA PHE S 510 -7.492 2.752 -4.563 1.00 0.00 C ATOM 875 C PHE S 510 -7.679 1.269 -4.869 1.00 0.00 C ATOM 876 O PHE S 510 -7.227 0.781 -5.905 1.00 0.00 O ATOM 877 CB PHE S 510 -6.048 3.156 -4.863 1.00 0.00 C ATOM 878 CG PHE S 510 -5.837 4.638 -4.879 1.00 0.00 C ATOM 879 CD1 PHE S 510 -5.928 5.376 -3.710 1.00 0.00 C ATOM 880 CD2 PHE S 510 -5.553 5.296 -6.062 1.00 0.00 C ATOM 881 CE1 PHE S 510 -5.745 6.742 -3.724 1.00 0.00 C ATOM 882 CE2 PHE S 510 -5.365 6.663 -6.083 1.00 0.00 C ATOM 883 CZ PHE S 510 -5.463 7.388 -4.911 1.00 0.00 C ATOM 0 H PHE S 510 -7.030 2.996 -2.531 1.00 0.00 H new ATOM 0 HA PHE S 510 -8.172 3.322 -5.196 1.00 0.00 H new ATOM 0 HB2 PHE S 510 -5.391 2.711 -4.116 1.00 0.00 H new ATOM 0 HB3 PHE S 510 -5.757 2.744 -5.829 1.00 0.00 H new ATOM 0 HD1 PHE S 510 -6.145 4.876 -2.778 1.00 0.00 H new ATOM 0 HD2 PHE S 510 -5.477 4.733 -6.981 1.00 0.00 H new ATOM 0 HE1 PHE S 510 -5.822 7.307 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE S 510 -5.142 7.165 -7.013 1.00 0.00 H new ATOM 0 HZ PHE S 510 -5.319 8.458 -4.923 1.00 0.00 H new ATOM 893 N VAL S 511 -8.336 0.551 -3.963 1.00 0.00 N ATOM 894 CA VAL S 511 -8.565 -0.875 -4.144 1.00 0.00 C ATOM 895 C VAL S 511 -9.793 -1.338 -3.360 1.00 0.00 C ATOM 896 O VAL S 511 -9.756 -2.349 -2.662 1.00 0.00 O ATOM 897 CB VAL S 511 -7.331 -1.686 -3.693 1.00 0.00 C ATOM 898 CG1 VAL S 511 -6.082 -1.204 -4.409 1.00 0.00 C ATOM 899 CG2 VAL S 511 -7.131 -1.579 -2.194 1.00 0.00 C ATOM 0 H VAL S 511 -8.718 0.934 -3.098 1.00 0.00 H new ATOM 0 HA VAL S 511 -8.740 -1.048 -5.206 1.00 0.00 H new ATOM 0 HB VAL S 511 -7.509 -2.730 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL S 511 -5.224 -1.788 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL S 511 -6.209 -1.326 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL S 511 -5.915 -0.152 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL S 511 -6.256 -2.159 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL S 511 -6.982 -0.534 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL S 511 -8.011 -1.967 -1.681 1.00 0.00 H new ATOM 909 N GLU S 512 -10.882 -0.589 -3.480 1.00 0.00 N ATOM 910 CA GLU S 512 -12.119 -0.921 -2.778 1.00 0.00 C ATOM 911 C GLU S 512 -12.821 -2.133 -3.387 1.00 0.00 C ATOM 912 O GLU S 512 -13.988 -2.392 -3.091 1.00 0.00 O ATOM 913 CB GLU S 512 -13.064 0.279 -2.792 1.00 0.00 C ATOM 914 CG GLU S 512 -13.520 0.661 -4.190 1.00 0.00 C ATOM 915 CD GLU S 512 -14.404 1.893 -4.201 1.00 0.00 C ATOM 916 OE1 GLU S 512 -15.636 1.739 -4.059 1.00 0.00 O ATOM 917 OE2 GLU S 512 -13.866 3.009 -4.350 1.00 0.00 O ATOM 0 H GLU S 512 -10.936 0.251 -4.055 1.00 0.00 H new ATOM 0 HA GLU S 512 -11.852 -1.174 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU S 512 -13.937 0.053 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU S 512 -12.565 1.132 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU S 512 -12.646 0.840 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU S 512 -14.063 -0.175 -4.632 1.00 0.00 H new ATOM 986 N LYS P 360 -10.763 8.221 -15.335 1.00 0.00 N ATOM 987 CA LYS P 360 -11.363 8.511 -14.036 1.00 0.00 C ATOM 988 C LYS P 360 -10.402 9.293 -13.149 1.00 0.00 C ATOM 989 O LYS P 360 -9.197 9.040 -13.146 1.00 0.00 O ATOM 990 CB LYS P 360 -11.773 7.214 -13.334 1.00 0.00 C ATOM 991 CG LYS P 360 -13.192 6.770 -13.644 1.00 0.00 C ATOM 992 CD LYS P 360 -13.855 6.140 -12.427 1.00 0.00 C ATOM 993 CE LYS P 360 -15.279 5.708 -12.731 1.00 0.00 C ATOM 994 NZ LYS P 360 -15.827 4.815 -11.671 1.00 0.00 N ATOM 0 HA LYS P 360 -12.249 9.121 -14.209 1.00 0.00 H new ATOM 0 HB2 LYS P 360 -11.083 6.421 -13.624 1.00 0.00 H new ATOM 0 HB3 LYS P 360 -11.671 7.347 -12.257 1.00 0.00 H new ATOM 0 HG2 LYS P 360 -13.778 7.626 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS P 360 -13.179 6.053 -14.465 1.00 0.00 H new ATOM 0 HD2 LYS P 360 -13.274 5.278 -12.100 1.00 0.00 H new ATOM 0 HD3 LYS P 360 -13.858 6.853 -11.603 1.00 0.00 H new ATOM 0 HE2 LYS P 360 -15.913 6.589 -12.827 1.00 0.00 H new ATOM 0 HE3 LYS P 360 -15.305 5.191 -13.690 1.00 0.00 H new ATOM 0 HZ1 LYS P 360 -16.800 4.542 -11.916 1.00 0.00 H new ATOM 0 HZ2 LYS P 360 -15.237 3.962 -11.597 1.00 0.00 H new ATOM 0 HZ3 LYS P 360 -15.827 5.317 -10.760 1.00 0.00 H new ATOM 1008 N PRO P 361 -10.932 10.255 -12.380 1.00 0.00 N ATOM 1009 CA PRO P 361 -10.142 11.087 -11.477 1.00 0.00 C ATOM 1010 C PRO P 361 -9.866 10.374 -10.158 1.00 0.00 C ATOM 1011 O PRO P 361 -10.701 10.381 -9.252 1.00 0.00 O ATOM 1012 CB PRO P 361 -11.039 12.320 -11.251 1.00 0.00 C ATOM 1013 CG PRO P 361 -12.257 12.098 -12.099 1.00 0.00 C ATOM 1014 CD PRO P 361 -12.343 10.624 -12.318 1.00 0.00 C ATOM 0 HA PRO P 361 -9.162 11.334 -11.886 1.00 0.00 H new ATOM 0 HB2 PRO P 361 -11.307 12.421 -10.199 1.00 0.00 H new ATOM 0 HB3 PRO P 361 -10.524 13.237 -11.538 1.00 0.00 H new ATOM 0 HG2 PRO P 361 -13.152 12.471 -11.601 1.00 0.00 H new ATOM 0 HG3 PRO P 361 -12.174 12.629 -13.047 1.00 0.00 H new ATOM 0 HD2 PRO P 361 -12.864 10.118 -11.505 1.00 0.00 H new ATOM 0 HD3 PRO P 361 -12.872 10.376 -13.238 1.00 0.00 H new ATOM 1022 N GLN P 362 -8.697 9.748 -10.060 1.00 0.00 N ATOM 1023 CA GLN P 362 -8.320 9.014 -8.855 1.00 0.00 C ATOM 1024 C GLN P 362 -8.605 9.815 -7.594 1.00 0.00 C ATOM 1025 O GLN P 362 -8.651 11.045 -7.614 1.00 0.00 O ATOM 1026 CB GLN P 362 -6.833 8.645 -8.880 1.00 0.00 C ATOM 1027 CG GLN P 362 -5.909 9.848 -8.982 1.00 0.00 C ATOM 1028 CD GLN P 362 -5.673 10.283 -10.414 1.00 0.00 C ATOM 1029 OE1 GLN P 362 -6.550 10.864 -11.052 1.00 0.00 O ATOM 1030 NE2 GLN P 362 -4.481 10.002 -10.929 1.00 0.00 N ATOM 0 H GLN P 362 -7.995 9.734 -10.799 1.00 0.00 H new ATOM 0 HA GLN P 362 -8.924 8.107 -8.841 1.00 0.00 H new ATOM 0 HB2 GLN P 362 -6.591 8.087 -7.976 1.00 0.00 H new ATOM 0 HB3 GLN P 362 -6.646 7.981 -9.724 1.00 0.00 H new ATOM 0 HG2 GLN P 362 -6.337 10.678 -8.420 1.00 0.00 H new ATOM 0 HG3 GLN P 362 -4.953 9.607 -8.517 1.00 0.00 H new ATOM 0 HE21 GLN P 362 -3.783 9.519 -10.364 1.00 0.00 H new ATOM 0 HE22 GLN P 362 -4.264 10.270 -11.889 1.00 0.00 H new ATOM 1039 N PRO P 363 -8.792 9.107 -6.476 1.00 0.00 N ATOM 1040 CA PRO P 363 -9.066 9.729 -5.188 1.00 0.00 C ATOM 1041 C PRO P 363 -7.877 10.518 -4.666 1.00 0.00 C ATOM 1042 O PRO P 363 -6.773 9.985 -4.567 1.00 0.00 O ATOM 1043 CB PRO P 363 -9.342 8.553 -4.245 1.00 0.00 C ATOM 1044 CG PRO P 363 -8.908 7.312 -4.953 1.00 0.00 C ATOM 1045 CD PRO P 363 -8.743 7.640 -6.406 1.00 0.00 C ATOM 0 HA PRO P 363 -9.893 10.435 -5.266 1.00 0.00 H new ATOM 0 HB2 PRO P 363 -8.796 8.673 -3.309 1.00 0.00 H new ATOM 0 HB3 PRO P 363 -10.401 8.502 -3.992 1.00 0.00 H new ATOM 0 HG2 PRO P 363 -7.970 6.944 -4.537 1.00 0.00 H new ATOM 0 HG3 PRO P 363 -9.647 6.521 -4.823 1.00 0.00 H new ATOM 0 HD2 PRO P 363 -7.797 7.258 -6.791 1.00 0.00 H new ATOM 0 HD3 PRO P 363 -9.536 7.190 -7.004 1.00 0.00 H new ATOM 1053 N ALA P 364 -8.102 11.774 -4.295 1.00 0.00 N ATOM 1054 CA ALA P 364 -7.026 12.587 -3.746 1.00 0.00 C ATOM 1055 C ALA P 364 -6.362 11.812 -2.617 1.00 0.00 C ATOM 1056 O ALA P 364 -6.979 11.569 -1.580 1.00 0.00 O ATOM 1057 CB ALA P 364 -7.561 13.921 -3.245 1.00 0.00 C ATOM 0 H ALA P 364 -9.005 12.244 -4.363 1.00 0.00 H new ATOM 0 HA ALA P 364 -6.293 12.801 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA P 364 -6.741 14.513 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA P 364 -8.024 14.461 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA P 364 -8.303 13.746 -2.466 1.00 0.00 H new ATOM 1063 N VAL P 365 -5.125 11.379 -2.835 1.00 0.00 N ATOM 1064 CA VAL P 365 -4.429 10.581 -1.832 1.00 0.00 C ATOM 1065 C VAL P 365 -4.524 11.234 -0.453 1.00 0.00 C ATOM 1066 O VAL P 365 -4.387 12.450 -0.314 1.00 0.00 O ATOM 1067 CB VAL P 365 -2.951 10.313 -2.190 1.00 0.00 C ATOM 1068 CG1 VAL P 365 -2.516 8.980 -1.614 1.00 0.00 C ATOM 1069 CG2 VAL P 365 -2.736 10.310 -3.691 1.00 0.00 C ATOM 0 H VAL P 365 -4.590 11.563 -3.684 1.00 0.00 H new ATOM 0 HA VAL P 365 -4.933 9.615 -1.811 1.00 0.00 H new ATOM 0 HB VAL P 365 -2.352 11.116 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL P 365 -1.472 8.796 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL P 365 -2.626 8.999 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL P 365 -3.136 8.185 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL P 365 -1.685 10.119 -3.908 1.00 0.00 H new ATOM 0 HG22 VAL P 365 -3.348 9.530 -4.145 1.00 0.00 H new ATOM 0 HG23 VAL P 365 -3.020 11.279 -4.101 1.00 0.00 H new ATOM 1079 N PRO P 366 -4.802 10.423 0.582 1.00 0.00 N ATOM 1080 CA PRO P 366 -4.968 10.898 1.961 1.00 0.00 C ATOM 1081 C PRO P 366 -3.653 11.110 2.703 1.00 0.00 C ATOM 1082 O PRO P 366 -2.595 10.666 2.260 1.00 0.00 O ATOM 1083 CB PRO P 366 -5.746 9.755 2.605 1.00 0.00 C ATOM 1084 CG PRO P 366 -5.235 8.545 1.905 1.00 0.00 C ATOM 1085 CD PRO P 366 -5.012 8.964 0.479 1.00 0.00 C ATOM 0 HA PRO P 366 -5.454 11.873 1.993 1.00 0.00 H new ATOM 0 HB2 PRO P 366 -5.566 9.703 3.679 1.00 0.00 H new ATOM 0 HB3 PRO P 366 -6.821 9.874 2.467 1.00 0.00 H new ATOM 0 HG2 PRO P 366 -4.309 8.192 2.359 1.00 0.00 H new ATOM 0 HG3 PRO P 366 -5.952 7.726 1.965 1.00 0.00 H new ATOM 0 HD2 PRO P 366 -4.148 8.463 0.043 1.00 0.00 H new ATOM 0 HD3 PRO P 366 -5.870 8.724 -0.149 1.00 0.00 H new ATOM 1093 N PRO P 367 -3.716 11.793 3.860 1.00 0.00 N ATOM 1094 CA PRO P 367 -2.540 12.069 4.692 1.00 0.00 C ATOM 1095 C PRO P 367 -1.779 10.808 5.038 1.00 0.00 C ATOM 1096 O PRO P 367 -2.026 10.165 6.059 1.00 0.00 O ATOM 1097 CB PRO P 367 -3.130 12.703 5.945 1.00 0.00 C ATOM 1098 CG PRO P 367 -4.378 13.328 5.452 1.00 0.00 C ATOM 1099 CD PRO P 367 -4.936 12.355 4.458 1.00 0.00 C ATOM 0 HA PRO P 367 -1.818 12.706 4.182 1.00 0.00 H new ATOM 0 HB2 PRO P 367 -3.330 11.960 6.717 1.00 0.00 H new ATOM 0 HB3 PRO P 367 -2.455 13.440 6.379 1.00 0.00 H new ATOM 0 HG2 PRO P 367 -5.079 13.504 6.268 1.00 0.00 H new ATOM 0 HG3 PRO P 367 -4.179 14.294 4.989 1.00 0.00 H new ATOM 0 HD2 PRO P 367 -5.546 11.589 4.936 1.00 0.00 H new ATOM 0 HD3 PRO P 367 -5.565 12.846 3.716 1.00 0.00 H new ATOM 1107 N ARG P 368 -0.855 10.475 4.166 1.00 0.00 N ATOM 1108 CA ARG P 368 -0.008 9.295 4.316 1.00 0.00 C ATOM 1109 C ARG P 368 0.437 9.110 5.770 1.00 0.00 C ATOM 1110 O ARG P 368 0.645 10.079 6.500 1.00 0.00 O ATOM 1111 CB ARG P 368 1.185 9.422 3.368 1.00 0.00 C ATOM 1112 CG ARG P 368 1.969 8.140 3.161 1.00 0.00 C ATOM 1113 CD ARG P 368 3.020 7.943 4.242 1.00 0.00 C ATOM 1114 NE ARG P 368 4.355 8.319 3.783 1.00 0.00 N ATOM 1115 CZ ARG P 368 5.397 8.492 4.594 1.00 0.00 C ATOM 1116 NH1 ARG P 368 5.262 8.324 5.904 1.00 0.00 N ATOM 1117 NH2 ARG P 368 6.577 8.835 4.093 1.00 0.00 N ATOM 0 H ARG P 368 -0.662 11.015 3.322 1.00 0.00 H new ATOM 0 HA ARG P 368 -0.576 8.403 4.054 1.00 0.00 H new ATOM 0 HB2 ARG P 368 0.827 9.773 2.400 1.00 0.00 H new ATOM 0 HB3 ARG P 368 1.859 10.186 3.755 1.00 0.00 H new ATOM 0 HG2 ARG P 368 1.285 7.291 3.159 1.00 0.00 H new ATOM 0 HG3 ARG P 368 2.452 8.162 2.184 1.00 0.00 H new ATOM 0 HD2 ARG P 368 2.756 8.538 5.116 1.00 0.00 H new ATOM 0 HD3 ARG P 368 3.025 6.899 4.556 1.00 0.00 H new ATOM 0 HE ARG P 368 4.497 8.457 2.782 1.00 0.00 H new ATOM 0 HH11 ARG P 368 4.357 8.061 6.294 1.00 0.00 H new ATOM 0 HH12 ARG P 368 6.063 8.458 6.521 1.00 0.00 H new ATOM 0 HH21 ARG P 368 6.685 8.966 3.087 1.00 0.00 H new ATOM 0 HH22 ARG P 368 7.375 8.968 4.714 1.00 0.00 H new ATOM 1131 N PRO P 369 0.558 7.845 6.206 1.00 0.00 N ATOM 1132 CA PRO P 369 0.945 7.490 7.578 1.00 0.00 C ATOM 1133 C PRO P 369 2.190 8.226 8.057 1.00 0.00 C ATOM 1134 O PRO P 369 2.883 8.873 7.274 1.00 0.00 O ATOM 1135 CB PRO P 369 1.199 5.989 7.477 1.00 0.00 C ATOM 1136 CG PRO P 369 0.280 5.547 6.391 1.00 0.00 C ATOM 1137 CD PRO P 369 0.306 6.648 5.387 1.00 0.00 C ATOM 0 HA PRO P 369 0.181 7.765 8.305 1.00 0.00 H new ATOM 0 HB2 PRO P 369 2.239 5.775 7.233 1.00 0.00 H new ATOM 0 HB3 PRO P 369 0.981 5.482 8.417 1.00 0.00 H new ATOM 0 HG2 PRO P 369 0.612 4.606 5.953 1.00 0.00 H new ATOM 0 HG3 PRO P 369 -0.729 5.384 6.771 1.00 0.00 H new ATOM 0 HD2 PRO P 369 1.089 6.497 4.644 1.00 0.00 H new ATOM 0 HD3 PRO P 369 -0.637 6.722 4.846 1.00 0.00 H new ATOM 1145 N SER P 370 2.465 8.118 9.353 1.00 0.00 N ATOM 1146 CA SER P 370 3.627 8.768 9.945 1.00 0.00 C ATOM 1147 C SER P 370 4.847 7.856 9.895 1.00 0.00 C ATOM 1148 O SER P 370 5.756 7.975 10.716 1.00 0.00 O ATOM 1149 CB SER P 370 3.332 9.166 11.393 1.00 0.00 C ATOM 1150 OG SER P 370 2.079 9.820 11.498 1.00 0.00 O ATOM 0 H SER P 370 1.898 7.586 10.013 1.00 0.00 H new ATOM 0 HA SER P 370 3.844 9.665 9.365 1.00 0.00 H new ATOM 0 HB2 SER P 370 3.336 8.278 12.025 1.00 0.00 H new ATOM 0 HB3 SER P 370 4.120 9.823 11.761 1.00 0.00 H new ATOM 0 HG SER P 370 1.914 10.062 12.433 1.00 0.00 H new ATOM 1156 N ALA P 371 4.862 6.944 8.923 1.00 0.00 N ATOM 1157 CA ALA P 371 5.967 6.009 8.754 1.00 0.00 C ATOM 1158 C ALA P 371 6.024 4.989 9.890 1.00 0.00 C ATOM 1159 O ALA P 371 5.940 3.787 9.663 1.00 0.00 O ATOM 1160 CB ALA P 371 7.287 6.757 8.639 1.00 0.00 C ATOM 0 H ALA P 371 4.114 6.835 8.238 1.00 0.00 H new ATOM 0 HA ALA P 371 5.794 5.459 7.829 1.00 0.00 H new ATOM 0 HB1 ALA P 371 8.100 6.042 8.513 1.00 0.00 H new ATOM 0 HB2 ALA P 371 7.253 7.424 7.777 1.00 0.00 H new ATOM 0 HB3 ALA P 371 7.454 7.341 9.544 1.00 0.00 H new ATOM 1166 N ASP P 372 6.183 5.470 11.113 1.00 0.00 N ATOM 1167 CA ASP P 372 6.264 4.584 12.273 1.00 0.00 C ATOM 1168 C ASP P 372 5.130 3.561 12.289 1.00 0.00 C ATOM 1169 O ASP P 372 5.396 2.360 12.270 1.00 0.00 O ATOM 1170 CB ASP P 372 6.261 5.396 13.570 1.00 0.00 C ATOM 1171 CG ASP P 372 7.591 6.075 13.829 1.00 0.00 C ATOM 1172 OD1 ASP P 372 8.633 5.513 13.430 1.00 0.00 O ATOM 1173 OD2 ASP P 372 7.593 7.169 14.430 1.00 0.00 O ATOM 0 H ASP P 372 6.259 6.463 11.332 1.00 0.00 H new ATOM 0 HA ASP P 372 7.203 4.036 12.197 1.00 0.00 H new ATOM 0 HB2 ASP P 372 5.475 6.149 13.522 1.00 0.00 H new ATOM 0 HB3 ASP P 372 6.022 4.739 14.406 1.00 0.00 H new ATOM 1178 N LEU P 373 3.867 4.007 12.320 1.00 0.00 N ATOM 1179 CA LEU P 373 2.771 3.040 12.328 1.00 0.00 C ATOM 1180 C LEU P 373 2.928 2.093 11.149 1.00 0.00 C ATOM 1181 O LEU P 373 2.528 0.931 11.213 1.00 0.00 O ATOM 1182 CB LEU P 373 1.377 3.705 12.371 1.00 0.00 C ATOM 1183 CG LEU P 373 0.875 4.434 11.114 1.00 0.00 C ATOM 1184 CD1 LEU P 373 0.964 3.567 9.872 1.00 0.00 C ATOM 1185 CD2 LEU P 373 -0.569 4.857 11.324 1.00 0.00 C ATOM 0 H LEU P 373 3.589 4.988 12.339 1.00 0.00 H new ATOM 0 HA LEU P 373 2.831 2.465 13.252 1.00 0.00 H new ATOM 0 HB2 LEU P 373 0.649 2.933 12.620 1.00 0.00 H new ATOM 0 HB3 LEU P 373 1.376 4.421 13.193 1.00 0.00 H new ATOM 0 HG LEU P 373 1.515 5.303 10.959 1.00 0.00 H new ATOM 0 HD11 LEU P 373 0.598 4.126 9.011 1.00 0.00 H new ATOM 0 HD12 LEU P 373 2.002 3.279 9.703 1.00 0.00 H new ATOM 0 HD13 LEU P 373 0.356 2.672 10.008 1.00 0.00 H new ATOM 0 HD21 LEU P 373 -0.929 5.375 10.435 1.00 0.00 H new ATOM 0 HD22 LEU P 373 -1.184 3.975 11.505 1.00 0.00 H new ATOM 0 HD23 LEU P 373 -0.631 5.525 12.183 1.00 0.00 H new ATOM 1197 N ILE P 374 3.579 2.582 10.092 1.00 0.00 N ATOM 1198 CA ILE P 374 3.857 1.757 8.933 1.00 0.00 C ATOM 1199 C ILE P 374 4.884 0.729 9.364 1.00 0.00 C ATOM 1200 O ILE P 374 4.723 -0.473 9.162 1.00 0.00 O ATOM 1201 CB ILE P 374 4.427 2.575 7.755 1.00 0.00 C ATOM 1202 CG1 ILE P 374 3.414 3.618 7.276 1.00 0.00 C ATOM 1203 CG2 ILE P 374 4.834 1.652 6.621 1.00 0.00 C ATOM 1204 CD1 ILE P 374 3.902 4.448 6.109 1.00 0.00 C ATOM 0 H ILE P 374 3.919 3.541 10.022 1.00 0.00 H new ATOM 0 HA ILE P 374 2.930 1.301 8.585 1.00 0.00 H new ATOM 0 HB ILE P 374 5.314 3.106 8.100 1.00 0.00 H new ATOM 0 HG12 ILE P 374 2.492 3.112 6.990 1.00 0.00 H new ATOM 0 HG13 ILE P 374 3.169 4.282 8.105 1.00 0.00 H new ATOM 0 HG21 ILE P 374 5.234 2.243 5.797 1.00 0.00 H new ATOM 0 HG22 ILE P 374 5.596 0.957 6.973 1.00 0.00 H new ATOM 0 HG23 ILE P 374 3.964 1.092 6.277 1.00 0.00 H new ATOM 0 HD11 ILE P 374 3.132 5.165 5.825 1.00 0.00 H new ATOM 0 HD12 ILE P 374 4.807 4.983 6.396 1.00 0.00 H new ATOM 0 HD13 ILE P 374 4.119 3.795 5.264 1.00 0.00 H new ATOM 1216 N LEU P 375 5.919 1.237 10.024 1.00 0.00 N ATOM 1217 CA LEU P 375 6.976 0.407 10.567 1.00 0.00 C ATOM 1218 C LEU P 375 6.380 -0.576 11.568 1.00 0.00 C ATOM 1219 O LEU P 375 6.956 -1.624 11.858 1.00 0.00 O ATOM 1220 CB LEU P 375 8.028 1.302 11.234 1.00 0.00 C ATOM 1221 CG LEU P 375 8.771 2.222 10.267 1.00 0.00 C ATOM 1222 CD1 LEU P 375 9.039 3.577 10.902 1.00 0.00 C ATOM 1223 CD2 LEU P 375 10.080 1.589 9.811 1.00 0.00 C ATOM 0 H LEU P 375 6.044 2.235 10.195 1.00 0.00 H new ATOM 0 HA LEU P 375 7.458 -0.161 9.771 1.00 0.00 H new ATOM 0 HB2 LEU P 375 7.541 1.911 11.995 1.00 0.00 H new ATOM 0 HB3 LEU P 375 8.753 0.671 11.747 1.00 0.00 H new ATOM 0 HG LEU P 375 8.134 2.369 9.395 1.00 0.00 H new ATOM 0 HD11 LEU P 375 9.569 4.213 10.193 1.00 0.00 H new ATOM 0 HD12 LEU P 375 8.093 4.046 11.173 1.00 0.00 H new ATOM 0 HD13 LEU P 375 9.648 3.446 11.797 1.00 0.00 H new ATOM 0 HD21 LEU P 375 10.590 2.263 9.123 1.00 0.00 H new ATOM 0 HD22 LEU P 375 10.716 1.404 10.677 1.00 0.00 H new ATOM 0 HD23 LEU P 375 9.872 0.646 9.306 1.00 0.00 H new ATOM 1235 N ASN P 376 5.203 -0.218 12.071 1.00 0.00 N ATOM 1236 CA ASN P 376 4.476 -1.036 13.021 1.00 0.00 C ATOM 1237 C ASN P 376 3.541 -2.001 12.296 1.00 0.00 C ATOM 1238 O ASN P 376 3.118 -3.011 12.861 1.00 0.00 O ATOM 1239 CB ASN P 376 3.661 -0.134 13.949 1.00 0.00 C ATOM 1240 CG ASN P 376 3.812 -0.511 15.409 1.00 0.00 C ATOM 1241 OD1 ASN P 376 2.825 -0.680 16.125 1.00 0.00 O ATOM 1242 ND2 ASN P 376 5.053 -0.647 15.859 1.00 0.00 N ATOM 0 H ASN P 376 4.729 0.652 11.827 1.00 0.00 H new ATOM 0 HA ASN P 376 5.192 -1.617 13.603 1.00 0.00 H new ATOM 0 HB2 ASN P 376 3.974 0.901 13.811 1.00 0.00 H new ATOM 0 HB3 ASN P 376 2.609 -0.189 13.670 1.00 0.00 H new ATOM 0 HD21 ASN P 376 5.217 -0.901 16.833 1.00 0.00 H new ATOM 0 HD22 ASN P 376 5.843 -0.498 15.231 1.00 0.00 H new ATOM 1249 N ARG P 377 3.191 -1.669 11.052 1.00 0.00 N ATOM 1250 CA ARG P 377 2.272 -2.493 10.273 1.00 0.00 C ATOM 1251 C ARG P 377 2.759 -2.720 8.835 1.00 0.00 C ATOM 1252 O ARG P 377 1.975 -2.619 7.892 1.00 0.00 O ATOM 1253 CB ARG P 377 0.882 -1.840 10.251 1.00 0.00 C ATOM 1254 CG ARG P 377 0.479 -1.179 11.567 1.00 0.00 C ATOM 1255 CD ARG P 377 -0.236 0.149 11.340 1.00 0.00 C ATOM 1256 NE ARG P 377 -1.688 0.000 11.384 1.00 0.00 N ATOM 1257 CZ ARG P 377 -2.402 0.007 12.507 1.00 0.00 C ATOM 1258 NH1 ARG P 377 -1.804 0.144 13.684 1.00 0.00 N ATOM 1259 NH2 ARG P 377 -3.721 -0.130 12.455 1.00 0.00 N ATOM 0 H ARG P 377 3.530 -0.839 10.566 1.00 0.00 H new ATOM 0 HA ARG P 377 2.223 -3.469 10.757 1.00 0.00 H new ATOM 0 HB2 ARG P 377 0.857 -1.091 9.459 1.00 0.00 H new ATOM 0 HB3 ARG P 377 0.141 -2.598 9.996 1.00 0.00 H new ATOM 0 HG2 ARG P 377 -0.172 -1.851 12.127 1.00 0.00 H new ATOM 0 HG3 ARG P 377 1.367 -1.014 12.177 1.00 0.00 H new ATOM 0 HD2 ARG P 377 0.079 0.865 12.099 1.00 0.00 H new ATOM 0 HD3 ARG P 377 0.058 0.559 10.374 1.00 0.00 H new ATOM 0 HE ARG P 377 -2.185 -0.116 10.501 1.00 0.00 H new ATOM 0 HH11 ARG P 377 -0.790 0.245 13.732 1.00 0.00 H new ATOM 0 HH12 ARG P 377 -2.358 0.148 14.540 1.00 0.00 H new ATOM 0 HH21 ARG P 377 -4.187 -0.241 11.555 1.00 0.00 H new ATOM 0 HH22 ARG P 377 -4.269 -0.125 13.316 1.00 0.00 H new ATOM 1273 N CYS P 378 4.041 -3.049 8.661 1.00 0.00 N ATOM 1274 CA CYS P 378 4.583 -3.306 7.322 1.00 0.00 C ATOM 1275 C CYS P 378 5.866 -4.130 7.379 1.00 0.00 C ATOM 1276 O CYS P 378 6.371 -4.446 8.457 1.00 0.00 O ATOM 1277 CB CYS P 378 4.848 -1.999 6.567 1.00 0.00 C ATOM 1278 SG CYS P 378 3.434 -1.400 5.617 1.00 0.00 S ATOM 0 H CYS P 378 4.717 -3.143 9.419 1.00 0.00 H new ATOM 0 HA CYS P 378 3.827 -3.879 6.785 1.00 0.00 H new ATOM 0 HB2 CYS P 378 5.143 -1.232 7.282 1.00 0.00 H new ATOM 0 HB3 CYS P 378 5.691 -2.146 5.891 1.00 0.00 H new ATOM 0 HG CYS P 378 2.347 -1.965 6.053 1.00 0.00 H new ATOM 1284 N SER P 379 6.387 -4.473 6.202 1.00 0.00 N ATOM 1285 CA SER P 379 7.611 -5.261 6.096 1.00 0.00 C ATOM 1286 C SER P 379 8.843 -4.369 6.220 1.00 0.00 C ATOM 1287 O SER P 379 8.745 -3.145 6.150 1.00 0.00 O ATOM 1288 CB SER P 379 7.654 -6.010 4.761 1.00 0.00 C ATOM 1289 OG SER P 379 8.785 -6.860 4.689 1.00 0.00 O ATOM 0 H SER P 379 5.977 -4.215 5.304 1.00 0.00 H new ATOM 0 HA SER P 379 7.615 -5.983 6.912 1.00 0.00 H new ATOM 0 HB2 SER P 379 6.745 -6.599 4.641 1.00 0.00 H new ATOM 0 HB3 SER P 379 7.680 -5.294 3.940 1.00 0.00 H new ATOM 0 HG SER P 379 8.788 -7.328 3.828 1.00 0.00 H new ATOM 1295 N GLU P 380 10.002 -4.994 6.398 1.00 0.00 N ATOM 1296 CA GLU P 380 11.254 -4.258 6.524 1.00 0.00 C ATOM 1297 C GLU P 380 11.557 -3.486 5.246 1.00 0.00 C ATOM 1298 O GLU P 380 12.176 -2.423 5.282 1.00 0.00 O ATOM 1299 CB GLU P 380 12.404 -5.217 6.841 1.00 0.00 C ATOM 1300 CG GLU P 380 12.279 -5.889 8.198 1.00 0.00 C ATOM 1301 CD GLU P 380 12.705 -7.344 8.169 1.00 0.00 C ATOM 1302 OE1 GLU P 380 12.003 -8.156 7.530 1.00 0.00 O ATOM 1303 OE2 GLU P 380 13.742 -7.672 8.784 1.00 0.00 O ATOM 0 H GLU P 380 10.100 -6.007 6.458 1.00 0.00 H new ATOM 0 HA GLU P 380 11.150 -3.546 7.343 1.00 0.00 H new ATOM 0 HB2 GLU P 380 12.450 -5.984 6.068 1.00 0.00 H new ATOM 0 HB3 GLU P 380 13.345 -4.668 6.802 1.00 0.00 H new ATOM 0 HG2 GLU P 380 12.888 -5.350 8.924 1.00 0.00 H new ATOM 0 HG3 GLU P 380 11.245 -5.823 8.538 1.00 0.00 H new ATOM 1310 N SER P 381 11.114 -4.027 4.114 1.00 0.00 N ATOM 1311 CA SER P 381 11.334 -3.387 2.822 1.00 0.00 C ATOM 1312 C SER P 381 10.749 -1.978 2.811 1.00 0.00 C ATOM 1313 O SER P 381 11.479 -0.994 2.703 1.00 0.00 O ATOM 1314 CB SER P 381 10.711 -4.222 1.702 1.00 0.00 C ATOM 1315 OG SER P 381 11.202 -3.823 0.434 1.00 0.00 O ATOM 0 H SER P 381 10.601 -4.907 4.066 1.00 0.00 H new ATOM 0 HA SER P 381 12.409 -3.317 2.655 1.00 0.00 H new ATOM 0 HB2 SER P 381 10.931 -5.277 1.865 1.00 0.00 H new ATOM 0 HB3 SER P 381 9.626 -4.116 1.725 1.00 0.00 H new ATOM 0 HG SER P 381 11.057 -4.543 -0.214 1.00 0.00 H new ATOM 1321 N THR P 382 9.426 -1.888 2.934 1.00 0.00 N ATOM 1322 CA THR P 382 8.749 -0.597 2.948 1.00 0.00 C ATOM 1323 C THR P 382 9.265 0.257 4.100 1.00 0.00 C ATOM 1324 O THR P 382 9.410 1.472 3.973 1.00 0.00 O ATOM 1325 CB THR P 382 7.234 -0.785 3.077 1.00 0.00 C ATOM 1326 OG1 THR P 382 6.709 -1.479 1.956 1.00 0.00 O ATOM 1327 CG2 THR P 382 6.472 0.518 3.209 1.00 0.00 C ATOM 0 H THR P 382 8.805 -2.692 3.025 1.00 0.00 H new ATOM 0 HA THR P 382 8.960 -0.089 2.007 1.00 0.00 H new ATOM 0 HB THR P 382 7.099 -1.360 3.993 1.00 0.00 H new ATOM 0 HG1 THR P 382 6.075 -2.161 2.261 1.00 0.00 H new ATOM 0 HG21 THR P 382 5.406 0.309 3.296 1.00 0.00 H new ATOM 0 HG22 THR P 382 6.811 1.049 4.098 1.00 0.00 H new ATOM 0 HG23 THR P 382 6.650 1.134 2.328 1.00 0.00 H new ATOM 1335 N LYS P 383 9.541 -0.395 5.223 1.00 0.00 N ATOM 1336 CA LYS P 383 10.041 0.291 6.407 1.00 0.00 C ATOM 1337 C LYS P 383 11.302 1.090 6.087 1.00 0.00 C ATOM 1338 O LYS P 383 11.427 2.252 6.478 1.00 0.00 O ATOM 1339 CB LYS P 383 10.329 -0.721 7.514 1.00 0.00 C ATOM 1340 CG LYS P 383 9.119 -1.025 8.379 1.00 0.00 C ATOM 1341 CD LYS P 383 9.215 -2.395 9.023 1.00 0.00 C ATOM 1342 CE LYS P 383 10.290 -2.432 10.096 1.00 0.00 C ATOM 1343 NZ LYS P 383 10.486 -3.804 10.641 1.00 0.00 N ATOM 0 H LYS P 383 9.426 -1.402 5.338 1.00 0.00 H new ATOM 0 HA LYS P 383 9.275 0.988 6.747 1.00 0.00 H new ATOM 0 HB2 LYS P 383 10.688 -1.647 7.066 1.00 0.00 H new ATOM 0 HB3 LYS P 383 11.132 -0.340 8.145 1.00 0.00 H new ATOM 0 HG2 LYS P 383 9.027 -0.265 9.155 1.00 0.00 H new ATOM 0 HG3 LYS P 383 8.216 -0.972 7.771 1.00 0.00 H new ATOM 0 HD2 LYS P 383 8.253 -2.660 9.461 1.00 0.00 H new ATOM 0 HD3 LYS P 383 9.435 -3.142 8.260 1.00 0.00 H new ATOM 0 HE2 LYS P 383 11.230 -2.069 9.680 1.00 0.00 H new ATOM 0 HE3 LYS P 383 10.017 -1.755 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS P 383 10.762 -3.744 11.642 1.00 0.00 H new ATOM 0 HZ2 LYS P 383 9.599 -4.340 10.558 1.00 0.00 H new ATOM 0 HZ3 LYS P 383 11.234 -4.287 10.104 1.00 0.00 H new ATOM 1357 N ARG P 384 12.231 0.462 5.374 1.00 0.00 N ATOM 1358 CA ARG P 384 13.479 1.118 5.000 1.00 0.00 C ATOM 1359 C ARG P 384 13.205 2.402 4.224 1.00 0.00 C ATOM 1360 O ARG P 384 14.006 3.337 4.241 1.00 0.00 O ATOM 1361 CB ARG P 384 14.345 0.176 4.161 1.00 0.00 C ATOM 1362 CG ARG P 384 14.945 -0.969 4.959 1.00 0.00 C ATOM 1363 CD ARG P 384 16.064 -0.487 5.868 1.00 0.00 C ATOM 1364 NE ARG P 384 17.333 -0.360 5.155 1.00 0.00 N ATOM 1365 CZ ARG P 384 18.401 0.262 5.649 1.00 0.00 C ATOM 1366 NH1 ARG P 384 18.359 0.813 6.855 1.00 0.00 N ATOM 1367 NH2 ARG P 384 19.516 0.332 4.934 1.00 0.00 N ATOM 0 H ARG P 384 12.144 -0.499 5.044 1.00 0.00 H new ATOM 0 HA ARG P 384 14.015 1.373 5.914 1.00 0.00 H new ATOM 0 HB2 ARG P 384 13.742 -0.233 3.351 1.00 0.00 H new ATOM 0 HB3 ARG P 384 15.150 0.749 3.701 1.00 0.00 H new ATOM 0 HG2 ARG P 384 14.167 -1.444 5.557 1.00 0.00 H new ATOM 0 HG3 ARG P 384 15.330 -1.727 4.277 1.00 0.00 H new ATOM 0 HD2 ARG P 384 15.792 0.477 6.298 1.00 0.00 H new ATOM 0 HD3 ARG P 384 16.183 -1.184 6.698 1.00 0.00 H new ATOM 0 HE ARG P 384 17.405 -0.772 4.225 1.00 0.00 H new ATOM 0 HH11 ARG P 384 17.505 0.761 7.410 1.00 0.00 H new ATOM 0 HH12 ARG P 384 19.181 1.288 7.228 1.00 0.00 H new ATOM 0 HH21 ARG P 384 19.554 -0.091 4.006 1.00 0.00 H new ATOM 0 HH22 ARG P 384 20.335 0.808 5.312 1.00 0.00 H new ATOM 1381 N LYS P 385 12.062 2.441 3.543 1.00 0.00 N ATOM 1382 CA LYS P 385 11.673 3.607 2.761 1.00 0.00 C ATOM 1383 C LYS P 385 11.398 4.802 3.670 1.00 0.00 C ATOM 1384 O LYS P 385 11.631 5.950 3.292 1.00 0.00 O ATOM 1385 CB LYS P 385 10.433 3.288 1.926 1.00 0.00 C ATOM 1386 CG LYS P 385 10.547 1.997 1.131 1.00 0.00 C ATOM 1387 CD LYS P 385 11.009 2.256 -0.293 1.00 0.00 C ATOM 1388 CE LYS P 385 10.448 1.222 -1.256 1.00 0.00 C ATOM 1389 NZ LYS P 385 11.298 1.072 -2.470 1.00 0.00 N ATOM 0 H LYS P 385 11.389 1.675 3.518 1.00 0.00 H new ATOM 0 HA LYS P 385 12.496 3.864 2.095 1.00 0.00 H new ATOM 0 HB2 LYS P 385 9.568 3.223 2.586 1.00 0.00 H new ATOM 0 HB3 LYS P 385 10.247 4.113 1.238 1.00 0.00 H new ATOM 0 HG2 LYS P 385 11.249 1.325 1.625 1.00 0.00 H new ATOM 0 HG3 LYS P 385 9.581 1.493 1.115 1.00 0.00 H new ATOM 0 HD2 LYS P 385 10.695 3.252 -0.603 1.00 0.00 H new ATOM 0 HD3 LYS P 385 12.098 2.239 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS P 385 10.367 0.261 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS P 385 9.440 1.512 -1.553 1.00 0.00 H new ATOM 0 HZ1 LYS P 385 10.880 0.358 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS P 385 11.355 1.983 -2.969 1.00 0.00 H new ATOM 0 HZ3 LYS P 385 12.253 0.770 -2.190 1.00 0.00 H new ATOM 1403 N LEU P 386 10.904 4.518 4.870 1.00 0.00 N ATOM 1404 CA LEU P 386 10.595 5.561 5.846 1.00 0.00 C ATOM 1405 C LEU P 386 11.601 5.558 6.995 1.00 0.00 C ATOM 1406 O LEU P 386 12.571 6.315 6.979 1.00 0.00 O ATOM 1407 CB LEU P 386 9.165 5.391 6.374 1.00 0.00 C ATOM 1408 CG LEU P 386 8.636 3.955 6.373 1.00 0.00 C ATOM 1409 CD1 LEU P 386 7.584 3.767 7.451 1.00 0.00 C ATOM 1410 CD2 LEU P 386 8.057 3.608 5.011 1.00 0.00 C ATOM 0 H LEU P 386 10.708 3.571 5.193 1.00 0.00 H new ATOM 0 HA LEU P 386 10.668 6.526 5.345 1.00 0.00 H new ATOM 0 HB2 LEU P 386 9.123 5.776 7.393 1.00 0.00 H new ATOM 0 HB3 LEU P 386 8.497 6.008 5.773 1.00 0.00 H new ATOM 0 HG LEU P 386 9.469 3.285 6.585 1.00 0.00 H new ATOM 0 HD11 LEU P 386 7.223 2.739 7.431 1.00 0.00 H new ATOM 0 HD12 LEU P 386 8.021 3.979 8.427 1.00 0.00 H new ATOM 0 HD13 LEU P 386 6.752 4.448 7.270 1.00 0.00 H new ATOM 0 HD21 LEU P 386 7.684 2.584 5.024 1.00 0.00 H new ATOM 0 HD22 LEU P 386 7.238 4.289 4.780 1.00 0.00 H new ATOM 0 HD23 LEU P 386 8.833 3.702 4.251 1.00 0.00 H new