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 93:sc= -0.753 USER MOD Set 1.2: S 472 GLN : amide:sc= -1.22 K(o=-2,f=0.2) USER MOD Single : P 360 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 362 GLN : amide:sc= -0.553 K(o=-0.55,f=-3.8!) USER MOD Single : P 370 SER OG : rot 180:sc= 0.0471 USER MOD Single : P 376 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.077) USER MOD Single : P 378 CYS SG : rot 30:sc= -2.15 USER MOD Single : P 379 SER OG : rot 180:sc= 0 USER MOD Single : P 381 SER OG : rot 180:sc= 0 USER MOD Single : P 382 THR OG1 : rot 159:sc= -6.22! USER MOD Single : P 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 385 LYS NZ :NH3+ -139:sc= 1.2 (180deg=0.018) USER MOD Single : S 460 SER OG : rot 180:sc= 0 USER MOD Single : S 461 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 467 SER OG : rot 180:sc= -0.635 USER MOD Single : S 468 TYR OH : rot -107:sc= 0.901 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 USER MOD Single : S 489 LYS NZ :NH3+ 155:sc= -0.0756 (180deg=-0.402) USER MOD Single : S 491 ASN : amide:sc= -6.09! C(o=-6.1!,f=-19!) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N SER S 460 -3.678 -9.892 2.371 1.00 0.00 N ATOM 91 CA SER S 460 -4.976 -10.019 1.723 1.00 0.00 C ATOM 92 C SER S 460 -4.869 -9.545 0.276 1.00 0.00 C ATOM 93 O SER S 460 -3.773 -9.508 -0.284 1.00 0.00 O ATOM 94 CB SER S 460 -6.029 -9.204 2.476 1.00 0.00 C ATOM 95 OG SER S 460 -7.274 -9.882 2.508 1.00 0.00 O ATOM 0 HA SER S 460 -5.283 -11.065 1.735 1.00 0.00 H new ATOM 0 HB2 SER S 460 -5.688 -9.016 3.494 1.00 0.00 H new ATOM 0 HB3 SER S 460 -6.153 -8.233 1.997 1.00 0.00 H new ATOM 0 HG SER S 460 -7.929 -9.341 2.996 1.00 0.00 H new ATOM 101 N GLN S 461 -5.993 -9.175 -0.331 1.00 0.00 N ATOM 102 CA GLN S 461 -5.966 -8.703 -1.713 1.00 0.00 C ATOM 103 C GLN S 461 -7.080 -7.702 -1.986 1.00 0.00 C ATOM 104 O GLN S 461 -8.129 -7.721 -1.341 1.00 0.00 O ATOM 105 CB GLN S 461 -6.073 -9.873 -2.696 1.00 0.00 C ATOM 106 CG GLN S 461 -5.478 -11.172 -2.175 1.00 0.00 C ATOM 107 CD GLN S 461 -5.806 -12.360 -3.060 1.00 0.00 C ATOM 108 OE1 GLN S 461 -5.076 -12.666 -4.001 1.00 0.00 O ATOM 109 NE2 GLN S 461 -6.910 -13.034 -2.760 1.00 0.00 N ATOM 0 H GLN S 461 -6.917 -9.191 0.101 1.00 0.00 H new ATOM 0 HA GLN S 461 -5.009 -8.202 -1.859 1.00 0.00 H new ATOM 0 HB2 GLN S 461 -7.123 -10.037 -2.937 1.00 0.00 H new ATOM 0 HB3 GLN S 461 -5.571 -9.602 -3.625 1.00 0.00 H new ATOM 0 HG2 GLN S 461 -4.396 -11.067 -2.100 1.00 0.00 H new ATOM 0 HG3 GLN S 461 -5.851 -11.360 -1.168 1.00 0.00 H new ATOM 0 HE21 GLN S 461 -7.486 -12.744 -1.970 1.00 0.00 H new ATOM 0 HE22 GLN S 461 -7.182 -13.842 -3.320 1.00 0.00 H new ATOM 118 N VAL S 462 -6.836 -6.827 -2.957 1.00 0.00 N ATOM 119 CA VAL S 462 -7.797 -5.804 -3.342 1.00 0.00 C ATOM 120 C VAL S 462 -7.493 -5.282 -4.742 1.00 0.00 C ATOM 121 O VAL S 462 -6.420 -4.728 -4.983 1.00 0.00 O ATOM 122 CB VAL S 462 -7.766 -4.620 -2.362 1.00 0.00 C ATOM 123 CG1 VAL S 462 -8.286 -5.037 -0.995 1.00 0.00 C ATOM 124 CG2 VAL S 462 -6.354 -4.064 -2.259 1.00 0.00 C ATOM 0 H VAL S 462 -5.970 -6.809 -3.496 1.00 0.00 H new ATOM 0 HA VAL S 462 -8.785 -6.264 -3.324 1.00 0.00 H new ATOM 0 HB VAL S 462 -8.420 -3.836 -2.742 1.00 0.00 H new ATOM 0 HG11 VAL S 462 -8.255 -4.183 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL S 462 -9.313 -5.389 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL S 462 -7.663 -5.838 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL S 462 -6.343 -3.226 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL S 462 -5.681 -4.843 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL S 462 -6.024 -3.724 -3.241 1.00 0.00 H new ATOM 134 N GLU S 463 -8.434 -5.452 -5.665 1.00 0.00 N ATOM 135 CA GLU S 463 -8.237 -4.981 -7.029 1.00 0.00 C ATOM 136 C GLU S 463 -8.080 -3.463 -7.046 1.00 0.00 C ATOM 137 O GLU S 463 -8.655 -2.764 -6.210 1.00 0.00 O ATOM 138 CB GLU S 463 -9.404 -5.428 -7.928 1.00 0.00 C ATOM 139 CG GLU S 463 -10.439 -4.349 -8.211 1.00 0.00 C ATOM 140 CD GLU S 463 -11.472 -4.786 -9.231 1.00 0.00 C ATOM 141 OE1 GLU S 463 -11.645 -6.009 -9.415 1.00 0.00 O ATOM 142 OE2 GLU S 463 -12.110 -3.904 -9.846 1.00 0.00 O ATOM 0 H GLU S 463 -9.331 -5.907 -5.495 1.00 0.00 H new ATOM 0 HA GLU S 463 -7.322 -5.422 -7.424 1.00 0.00 H new ATOM 0 HB2 GLU S 463 -8.999 -5.782 -8.876 1.00 0.00 H new ATOM 0 HB3 GLU S 463 -9.902 -6.276 -7.458 1.00 0.00 H new ATOM 0 HG2 GLU S 463 -10.942 -4.080 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU S 463 -9.935 -3.452 -8.571 1.00 0.00 H new ATOM 149 N ALA S 464 -7.303 -2.953 -7.996 1.00 0.00 N ATOM 150 CA ALA S 464 -7.087 -1.519 -8.103 1.00 0.00 C ATOM 151 C ALA S 464 -8.131 -0.890 -9.015 1.00 0.00 C ATOM 152 O ALA S 464 -8.722 -1.568 -9.853 1.00 0.00 O ATOM 153 CB ALA S 464 -5.685 -1.227 -8.612 1.00 0.00 C ATOM 0 H ALA S 464 -6.816 -3.510 -8.698 1.00 0.00 H new ATOM 0 HA ALA S 464 -7.189 -1.080 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA S 464 -5.542 -0.149 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA S 464 -4.953 -1.644 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA S 464 -5.554 -1.678 -9.595 1.00 0.00 H new ATOM 159 N LEU S 465 -8.368 0.403 -8.839 1.00 0.00 N ATOM 160 CA LEU S 465 -9.360 1.105 -9.645 1.00 0.00 C ATOM 161 C LEU S 465 -8.802 2.396 -10.242 1.00 0.00 C ATOM 162 O LEU S 465 -9.473 3.060 -11.033 1.00 0.00 O ATOM 163 CB LEU S 465 -10.589 1.414 -8.793 1.00 0.00 C ATOM 164 CG LEU S 465 -11.278 0.187 -8.191 1.00 0.00 C ATOM 165 CD1 LEU S 465 -10.532 -0.301 -6.962 1.00 0.00 C ATOM 166 CD2 LEU S 465 -12.726 0.505 -7.851 1.00 0.00 C ATOM 0 H LEU S 465 -7.891 0.985 -8.150 1.00 0.00 H new ATOM 0 HA LEU S 465 -9.637 0.454 -10.474 1.00 0.00 H new ATOM 0 HB2 LEU S 465 -10.294 2.081 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU S 465 -11.311 1.955 -9.405 1.00 0.00 H new ATOM 0 HG LEU S 465 -11.266 -0.612 -8.932 1.00 0.00 H new ATOM 0 HD11 LEU S 465 -11.040 -1.174 -6.551 1.00 0.00 H new ATOM 0 HD12 LEU S 465 -9.513 -0.571 -7.238 1.00 0.00 H new ATOM 0 HD13 LEU S 465 -10.507 0.491 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU S 465 -13.202 -0.378 -7.424 1.00 0.00 H new ATOM 0 HD22 LEU S 465 -12.759 1.321 -7.129 1.00 0.00 H new ATOM 0 HD23 LEU S 465 -13.256 0.801 -8.757 1.00 0.00 H new ATOM 178 N PHE S 466 -7.578 2.753 -9.864 1.00 0.00 N ATOM 179 CA PHE S 466 -6.956 3.970 -10.373 1.00 0.00 C ATOM 180 C PHE S 466 -5.446 3.824 -10.482 1.00 0.00 C ATOM 181 O PHE S 466 -4.862 2.863 -9.981 1.00 0.00 O ATOM 182 CB PHE S 466 -7.261 5.150 -9.457 1.00 0.00 C ATOM 183 CG PHE S 466 -8.702 5.281 -9.074 1.00 0.00 C ATOM 184 CD1 PHE S 466 -9.595 5.906 -9.923 1.00 0.00 C ATOM 185 CD2 PHE S 466 -9.159 4.796 -7.858 1.00 0.00 C ATOM 186 CE1 PHE S 466 -10.919 6.047 -9.571 1.00 0.00 C ATOM 187 CE2 PHE S 466 -10.484 4.938 -7.498 1.00 0.00 C ATOM 188 CZ PHE S 466 -11.364 5.566 -8.359 1.00 0.00 C ATOM 0 H PHE S 466 -7.001 2.221 -9.212 1.00 0.00 H new ATOM 0 HA PHE S 466 -7.370 4.147 -11.366 1.00 0.00 H new ATOM 0 HB2 PHE S 466 -6.664 5.054 -8.550 1.00 0.00 H new ATOM 0 HB3 PHE S 466 -6.944 6.069 -9.951 1.00 0.00 H new ATOM 0 HD1 PHE S 466 -9.251 6.288 -10.873 1.00 0.00 H new ATOM 0 HD2 PHE S 466 -8.472 4.303 -7.186 1.00 0.00 H new ATOM 0 HE1 PHE S 466 -11.608 6.534 -10.245 1.00 0.00 H new ATOM 0 HE2 PHE S 466 -10.831 4.560 -6.548 1.00 0.00 H new ATOM 0 HZ PHE S 466 -12.402 5.680 -8.082 1.00 0.00 H new ATOM 198 N SER S 467 -4.822 4.811 -11.111 1.00 0.00 N ATOM 199 CA SER S 467 -3.377 4.835 -11.262 1.00 0.00 C ATOM 200 C SER S 467 -2.791 5.842 -10.283 1.00 0.00 C ATOM 201 O SER S 467 -2.849 7.050 -10.509 1.00 0.00 O ATOM 202 CB SER S 467 -2.985 5.195 -12.697 1.00 0.00 C ATOM 203 OG SER S 467 -3.246 4.120 -13.582 1.00 0.00 O ATOM 0 H SER S 467 -5.300 5.610 -11.527 1.00 0.00 H new ATOM 0 HA SER S 467 -2.979 3.843 -11.048 1.00 0.00 H new ATOM 0 HB2 SER S 467 -3.539 6.077 -13.018 1.00 0.00 H new ATOM 0 HB3 SER S 467 -1.926 5.452 -12.734 1.00 0.00 H new ATOM 0 HG SER S 467 -2.989 4.376 -14.492 1.00 0.00 H new ATOM 209 N TYR S 468 -2.259 5.336 -9.181 1.00 0.00 N ATOM 210 CA TYR S 468 -1.699 6.188 -8.142 1.00 0.00 C ATOM 211 C TYR S 468 -0.300 6.673 -8.494 1.00 0.00 C ATOM 212 O TYR S 468 0.645 5.887 -8.566 1.00 0.00 O ATOM 213 CB TYR S 468 -1.661 5.423 -6.816 1.00 0.00 C ATOM 214 CG TYR S 468 -1.026 6.190 -5.672 1.00 0.00 C ATOM 215 CD1 TYR S 468 -0.857 7.569 -5.731 1.00 0.00 C ATOM 216 CD2 TYR S 468 -0.591 5.528 -4.531 1.00 0.00 C ATOM 217 CE1 TYR S 468 -0.274 8.263 -4.692 1.00 0.00 C ATOM 218 CE2 TYR S 468 -0.009 6.217 -3.484 1.00 0.00 C ATOM 219 CZ TYR S 468 0.147 7.583 -3.570 1.00 0.00 C ATOM 220 OH TYR S 468 0.725 8.273 -2.529 1.00 0.00 O ATOM 0 H TYR S 468 -2.203 4.337 -8.982 1.00 0.00 H new ATOM 0 HA TYR S 468 -2.339 7.065 -8.051 1.00 0.00 H new ATOM 0 HB2 TYR S 468 -2.679 5.153 -6.536 1.00 0.00 H new ATOM 0 HB3 TYR S 468 -1.113 4.492 -6.962 1.00 0.00 H new ATOM 0 HD1 TYR S 468 -1.189 8.106 -6.607 1.00 0.00 H new ATOM 0 HD2 TYR S 468 -0.710 4.457 -4.461 1.00 0.00 H new ATOM 0 HE1 TYR S 468 -0.148 9.334 -4.757 1.00 0.00 H new ATOM 0 HE2 TYR S 468 0.322 5.687 -2.603 1.00 0.00 H new ATOM 0 HH TYR S 468 1.688 8.092 -2.511 1.00 0.00 H new ATOM 230 N GLU S 469 -0.167 7.984 -8.679 1.00 0.00 N ATOM 231 CA GLU S 469 1.125 8.577 -8.984 1.00 0.00 C ATOM 232 C GLU S 469 1.977 8.590 -7.726 1.00 0.00 C ATOM 233 O GLU S 469 1.746 9.380 -6.810 1.00 0.00 O ATOM 234 CB GLU S 469 0.961 9.995 -9.521 1.00 0.00 C ATOM 235 CG GLU S 469 2.097 10.432 -10.430 1.00 0.00 C ATOM 236 CD GLU S 469 1.774 11.693 -11.206 1.00 0.00 C ATOM 237 OE1 GLU S 469 1.047 12.553 -10.664 1.00 0.00 O ATOM 238 OE2 GLU S 469 2.248 11.823 -12.354 1.00 0.00 O ATOM 0 H GLU S 469 -0.937 8.651 -8.623 1.00 0.00 H new ATOM 0 HA GLU S 469 1.614 7.981 -9.754 1.00 0.00 H new ATOM 0 HB2 GLU S 469 0.021 10.061 -10.069 1.00 0.00 H new ATOM 0 HB3 GLU S 469 0.890 10.687 -8.682 1.00 0.00 H new ATOM 0 HG2 GLU S 469 2.992 10.598 -9.831 1.00 0.00 H new ATOM 0 HG3 GLU S 469 2.326 9.628 -11.130 1.00 0.00 H new ATOM 245 N ALA S 470 2.941 7.691 -7.680 1.00 0.00 N ATOM 246 CA ALA S 470 3.819 7.566 -6.527 1.00 0.00 C ATOM 247 C ALA S 470 5.041 8.467 -6.648 1.00 0.00 C ATOM 248 O ALA S 470 5.912 8.245 -7.490 1.00 0.00 O ATOM 249 CB ALA S 470 4.232 6.114 -6.351 1.00 0.00 C ATOM 0 H ALA S 470 3.139 7.031 -8.432 1.00 0.00 H new ATOM 0 HA ALA S 470 3.269 7.891 -5.643 1.00 0.00 H new ATOM 0 HB1 ALA S 470 4.890 6.025 -5.486 1.00 0.00 H new ATOM 0 HB2 ALA S 470 3.345 5.500 -6.197 1.00 0.00 H new ATOM 0 HB3 ALA S 470 4.758 5.775 -7.243 1.00 0.00 H new ATOM 255 N THR S 471 5.101 9.482 -5.791 1.00 0.00 N ATOM 256 CA THR S 471 6.217 10.418 -5.787 1.00 0.00 C ATOM 257 C THR S 471 7.205 10.068 -4.677 1.00 0.00 C ATOM 258 O THR S 471 8.404 10.315 -4.800 1.00 0.00 O ATOM 259 CB THR S 471 5.710 11.850 -5.602 1.00 0.00 C ATOM 260 OG1 THR S 471 4.781 11.919 -4.534 1.00 0.00 O ATOM 261 CG2 THR S 471 5.036 12.409 -6.836 1.00 0.00 C ATOM 0 H THR S 471 4.387 9.676 -5.089 1.00 0.00 H new ATOM 0 HA THR S 471 6.728 10.345 -6.747 1.00 0.00 H new ATOM 0 HB THR S 471 6.597 12.447 -5.391 1.00 0.00 H new ATOM 0 HG1 THR S 471 5.251 12.149 -3.706 1.00 0.00 H new ATOM 0 HG21 THR S 471 4.700 13.427 -6.638 1.00 0.00 H new ATOM 0 HG22 THR S 471 5.743 12.416 -7.665 1.00 0.00 H new ATOM 0 HG23 THR S 471 4.179 11.788 -7.095 1.00 0.00 H new ATOM 269 N GLN S 472 6.691 9.482 -3.600 1.00 0.00 N ATOM 270 CA GLN S 472 7.531 9.088 -2.473 1.00 0.00 C ATOM 271 C GLN S 472 7.924 7.615 -2.583 1.00 0.00 C ATOM 272 O GLN S 472 7.305 6.851 -3.323 1.00 0.00 O ATOM 273 CB GLN S 472 6.830 9.352 -1.134 1.00 0.00 C ATOM 274 CG GLN S 472 5.313 9.258 -1.190 1.00 0.00 C ATOM 275 CD GLN S 472 4.661 10.582 -1.539 1.00 0.00 C ATOM 276 OE1 GLN S 472 4.988 11.620 -0.965 1.00 0.00 O ATOM 277 NE2 GLN S 472 3.729 10.551 -2.485 1.00 0.00 N ATOM 0 H GLN S 472 5.700 9.270 -3.483 1.00 0.00 H new ATOM 0 HA GLN S 472 8.435 9.696 -2.506 1.00 0.00 H new ATOM 0 HB2 GLN S 472 7.199 8.638 -0.398 1.00 0.00 H new ATOM 0 HB3 GLN S 472 7.108 10.346 -0.782 1.00 0.00 H new ATOM 0 HG2 GLN S 472 5.026 8.510 -1.928 1.00 0.00 H new ATOM 0 HG3 GLN S 472 4.938 8.915 -0.226 1.00 0.00 H new ATOM 0 HE21 GLN S 472 3.489 9.668 -2.935 1.00 0.00 H new ATOM 0 HE22 GLN S 472 3.254 11.410 -2.761 1.00 0.00 H new ATOM 286 N PRO S 473 8.979 7.205 -1.860 1.00 0.00 N ATOM 287 CA PRO S 473 9.480 5.824 -1.891 1.00 0.00 C ATOM 288 C PRO S 473 8.463 4.785 -1.407 1.00 0.00 C ATOM 289 O PRO S 473 7.875 4.064 -2.213 1.00 0.00 O ATOM 290 CB PRO S 473 10.699 5.860 -0.960 1.00 0.00 C ATOM 291 CG PRO S 473 10.520 7.076 -0.120 1.00 0.00 C ATOM 292 CD PRO S 473 9.784 8.064 -0.974 1.00 0.00 C ATOM 0 HA PRO S 473 9.707 5.516 -2.911 1.00 0.00 H new ATOM 0 HB2 PRO S 473 10.750 4.962 -0.345 1.00 0.00 H new ATOM 0 HB3 PRO S 473 11.627 5.909 -1.530 1.00 0.00 H new ATOM 0 HG2 PRO S 473 9.956 6.846 0.784 1.00 0.00 H new ATOM 0 HG3 PRO S 473 11.483 7.476 0.198 1.00 0.00 H new ATOM 0 HD2 PRO S 473 9.158 8.726 -0.376 1.00 0.00 H new ATOM 0 HD3 PRO S 473 10.468 8.697 -1.539 1.00 0.00 H new ATOM 300 N GLU S 474 8.280 4.694 -0.089 1.00 0.00 N ATOM 301 CA GLU S 474 7.358 3.719 0.503 1.00 0.00 C ATOM 302 C GLU S 474 6.038 3.620 -0.266 1.00 0.00 C ATOM 303 O GLU S 474 5.430 2.552 -0.330 1.00 0.00 O ATOM 304 CB GLU S 474 7.087 4.063 1.972 1.00 0.00 C ATOM 305 CG GLU S 474 6.091 5.194 2.170 1.00 0.00 C ATOM 306 CD GLU S 474 6.584 6.513 1.606 1.00 0.00 C ATOM 307 OE1 GLU S 474 7.812 6.738 1.610 1.00 0.00 O ATOM 308 OE2 GLU S 474 5.741 7.321 1.162 1.00 0.00 O ATOM 0 H GLU S 474 8.758 5.284 0.592 1.00 0.00 H new ATOM 0 HA GLU S 474 7.843 2.745 0.441 1.00 0.00 H new ATOM 0 HB2 GLU S 474 6.716 3.173 2.480 1.00 0.00 H new ATOM 0 HB3 GLU S 474 8.028 4.334 2.450 1.00 0.00 H new ATOM 0 HG2 GLU S 474 5.147 4.929 1.693 1.00 0.00 H new ATOM 0 HG3 GLU S 474 5.888 5.312 3.234 1.00 0.00 H new ATOM 315 N ASP S 475 5.594 4.732 -0.844 1.00 0.00 N ATOM 316 CA ASP S 475 4.349 4.752 -1.597 1.00 0.00 C ATOM 317 C ASP S 475 4.398 3.779 -2.769 1.00 0.00 C ATOM 318 O ASP S 475 5.149 3.976 -3.724 1.00 0.00 O ATOM 319 CB ASP S 475 4.066 6.162 -2.102 1.00 0.00 C ATOM 320 CG ASP S 475 3.263 6.982 -1.112 1.00 0.00 C ATOM 321 OD1 ASP S 475 3.009 6.484 0.007 1.00 0.00 O ATOM 322 OD2 ASP S 475 2.886 8.122 -1.452 1.00 0.00 O ATOM 0 H ASP S 475 6.079 5.629 -0.804 1.00 0.00 H new ATOM 0 HA ASP S 475 3.546 4.440 -0.930 1.00 0.00 H new ATOM 0 HB2 ASP S 475 5.010 6.668 -2.307 1.00 0.00 H new ATOM 0 HB3 ASP S 475 3.524 6.105 -3.046 1.00 0.00 H new ATOM 327 N LEU S 476 3.582 2.736 -2.690 1.00 0.00 N ATOM 328 CA LEU S 476 3.515 1.731 -3.742 1.00 0.00 C ATOM 329 C LEU S 476 2.659 2.238 -4.895 1.00 0.00 C ATOM 330 O LEU S 476 1.467 2.498 -4.725 1.00 0.00 O ATOM 331 CB LEU S 476 2.941 0.415 -3.191 1.00 0.00 C ATOM 332 CG LEU S 476 2.356 -0.536 -4.243 1.00 0.00 C ATOM 333 CD1 LEU S 476 3.437 -0.993 -5.210 1.00 0.00 C ATOM 334 CD2 LEU S 476 1.691 -1.730 -3.586 1.00 0.00 C ATOM 0 H LEU S 476 2.955 2.564 -1.904 1.00 0.00 H new ATOM 0 HA LEU S 476 4.524 1.541 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU S 476 3.730 -0.108 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU S 476 2.162 0.653 -2.467 1.00 0.00 H new ATOM 0 HG LEU S 476 1.596 0.008 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU S 476 3.003 -1.667 -5.949 1.00 0.00 H new ATOM 0 HD12 LEU S 476 3.863 -0.126 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU S 476 4.221 -1.514 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU S 476 1.285 -2.388 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU S 476 2.425 -2.275 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU S 476 0.884 -1.386 -2.939 1.00 0.00 H new ATOM 346 N GLU S 477 3.268 2.377 -6.065 1.00 0.00 N ATOM 347 CA GLU S 477 2.554 2.850 -7.241 1.00 0.00 C ATOM 348 C GLU S 477 1.825 1.704 -7.921 1.00 0.00 C ATOM 349 O GLU S 477 2.294 0.566 -7.916 1.00 0.00 O ATOM 350 CB GLU S 477 3.521 3.483 -8.239 1.00 0.00 C ATOM 351 CG GLU S 477 2.832 4.324 -9.302 1.00 0.00 C ATOM 352 CD GLU S 477 3.355 4.041 -10.697 1.00 0.00 C ATOM 353 OE1 GLU S 477 4.586 4.107 -10.895 1.00 0.00 O ATOM 354 OE2 GLU S 477 2.532 3.755 -11.592 1.00 0.00 O ATOM 0 H GLU S 477 4.254 2.169 -6.224 1.00 0.00 H new ATOM 0 HA GLU S 477 1.831 3.597 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU S 477 4.232 4.107 -7.698 1.00 0.00 H new ATOM 0 HB3 GLU S 477 4.095 2.695 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU S 477 1.759 4.132 -9.274 1.00 0.00 H new ATOM 0 HG3 GLU S 477 2.973 5.380 -9.072 1.00 0.00 H new ATOM 361 N PHE S 478 0.683 2.010 -8.518 1.00 0.00 N ATOM 362 CA PHE S 478 -0.099 0.993 -9.218 1.00 0.00 C ATOM 363 C PHE S 478 -1.137 1.629 -10.134 1.00 0.00 C ATOM 364 O PHE S 478 -1.609 2.735 -9.877 1.00 0.00 O ATOM 365 CB PHE S 478 -0.782 0.059 -8.219 1.00 0.00 C ATOM 366 CG PHE S 478 -1.538 0.777 -7.143 1.00 0.00 C ATOM 367 CD1 PHE S 478 -0.865 1.407 -6.110 1.00 0.00 C ATOM 368 CD2 PHE S 478 -2.921 0.825 -7.165 1.00 0.00 C ATOM 369 CE1 PHE S 478 -1.557 2.071 -5.118 1.00 0.00 C ATOM 370 CE2 PHE S 478 -3.620 1.488 -6.175 1.00 0.00 C ATOM 371 CZ PHE S 478 -2.938 2.112 -5.150 1.00 0.00 C ATOM 0 H PHE S 478 0.277 2.945 -8.534 1.00 0.00 H new ATOM 0 HA PHE S 478 0.588 0.411 -9.833 1.00 0.00 H new ATOM 0 HB2 PHE S 478 -1.467 -0.596 -8.757 1.00 0.00 H new ATOM 0 HB3 PHE S 478 -0.028 -0.579 -7.757 1.00 0.00 H new ATOM 0 HD1 PHE S 478 0.214 1.378 -6.080 1.00 0.00 H new ATOM 0 HD2 PHE S 478 -3.460 0.339 -7.965 1.00 0.00 H new ATOM 0 HE1 PHE S 478 -1.020 2.558 -4.317 1.00 0.00 H new ATOM 0 HE2 PHE S 478 -4.699 1.518 -6.203 1.00 0.00 H new ATOM 0 HZ PHE S 478 -3.482 2.631 -4.375 1.00 0.00 H new ATOM 381 N GLN S 479 -1.484 0.919 -11.205 1.00 0.00 N ATOM 382 CA GLN S 479 -2.463 1.407 -12.169 1.00 0.00 C ATOM 383 C GLN S 479 -3.881 1.028 -11.751 1.00 0.00 C ATOM 384 O GLN S 479 -4.089 0.438 -10.691 1.00 0.00 O ATOM 385 CB GLN S 479 -2.162 0.842 -13.559 1.00 0.00 C ATOM 386 CG GLN S 479 -2.243 -0.674 -13.630 1.00 0.00 C ATOM 387 CD GLN S 479 -1.115 -1.280 -14.441 1.00 0.00 C ATOM 388 OE1 GLN S 479 -1.112 -1.211 -15.669 1.00 0.00 O ATOM 389 NE2 GLN S 479 -0.150 -1.879 -13.756 1.00 0.00 N ATOM 0 H GLN S 479 -1.099 0.001 -11.426 1.00 0.00 H new ATOM 0 HA GLN S 479 -2.393 2.494 -12.200 1.00 0.00 H new ATOM 0 HB2 GLN S 479 -2.864 1.269 -14.275 1.00 0.00 H new ATOM 0 HB3 GLN S 479 -1.164 1.159 -13.863 1.00 0.00 H new ATOM 0 HG2 GLN S 479 -2.220 -1.083 -12.620 1.00 0.00 H new ATOM 0 HG3 GLN S 479 -3.198 -0.963 -14.069 1.00 0.00 H new ATOM 0 HE21 GLN S 479 -0.193 -1.913 -12.737 1.00 0.00 H new ATOM 0 HE22 GLN S 479 0.635 -2.306 -14.248 1.00 0.00 H new ATOM 398 N GLU S 480 -4.851 1.369 -12.593 1.00 0.00 N ATOM 399 CA GLU S 480 -6.251 1.065 -12.314 1.00 0.00 C ATOM 400 C GLU S 480 -6.581 -0.372 -12.707 1.00 0.00 C ATOM 401 O GLU S 480 -5.886 -0.976 -13.523 1.00 0.00 O ATOM 402 CB GLU S 480 -7.165 2.038 -13.063 1.00 0.00 C ATOM 403 CG GLU S 480 -7.177 1.831 -14.568 1.00 0.00 C ATOM 404 CD GLU S 480 -6.945 3.117 -15.339 1.00 0.00 C ATOM 405 OE1 GLU S 480 -7.680 4.095 -15.095 1.00 0.00 O ATOM 406 OE2 GLU S 480 -6.025 3.143 -16.184 1.00 0.00 O ATOM 0 H GLU S 480 -4.694 1.856 -13.475 1.00 0.00 H new ATOM 0 HA GLU S 480 -6.418 1.177 -11.243 1.00 0.00 H new ATOM 0 HB2 GLU S 480 -8.181 1.933 -12.683 1.00 0.00 H new ATOM 0 HB3 GLU S 480 -6.848 3.059 -12.848 1.00 0.00 H new ATOM 0 HG2 GLU S 480 -6.408 1.107 -14.837 1.00 0.00 H new ATOM 0 HG3 GLU S 480 -8.135 1.403 -14.864 1.00 0.00 H new ATOM 413 N GLY S 481 -7.647 -0.914 -12.123 1.00 0.00 N ATOM 414 CA GLY S 481 -8.048 -2.278 -12.429 1.00 0.00 C ATOM 415 C GLY S 481 -6.887 -3.249 -12.364 1.00 0.00 C ATOM 416 O GLY S 481 -6.619 -3.970 -13.325 1.00 0.00 O ATOM 0 H GLY S 481 -8.239 -0.435 -11.445 1.00 0.00 H new ATOM 0 HA2 GLY S 481 -8.821 -2.593 -11.728 1.00 0.00 H new ATOM 0 HA3 GLY S 481 -8.489 -2.309 -13.425 1.00 0.00 H new ATOM 420 N ASP S 482 -6.186 -3.266 -11.233 1.00 0.00 N ATOM 421 CA ASP S 482 -5.043 -4.152 -11.064 1.00 0.00 C ATOM 422 C ASP S 482 -5.240 -5.116 -9.906 1.00 0.00 C ATOM 423 O ASP S 482 -6.082 -4.904 -9.039 1.00 0.00 O ATOM 424 CB ASP S 482 -3.760 -3.338 -10.865 1.00 0.00 C ATOM 425 CG ASP S 482 -2.534 -4.208 -10.666 1.00 0.00 C ATOM 426 OD1 ASP S 482 -2.467 -5.291 -11.286 1.00 0.00 O ATOM 427 OD2 ASP S 482 -1.641 -3.805 -9.892 1.00 0.00 O ATOM 0 H ASP S 482 -6.390 -2.678 -10.425 1.00 0.00 H new ATOM 0 HA ASP S 482 -4.952 -4.745 -11.974 1.00 0.00 H new ATOM 0 HB2 ASP S 482 -3.606 -2.695 -11.731 1.00 0.00 H new ATOM 0 HB3 ASP S 482 -3.880 -2.685 -10.000 1.00 0.00 H new ATOM 432 N ILE S 483 -4.454 -6.184 -9.911 1.00 0.00 N ATOM 433 CA ILE S 483 -4.531 -7.198 -8.872 1.00 0.00 C ATOM 434 C ILE S 483 -3.302 -7.160 -7.970 1.00 0.00 C ATOM 435 O ILE S 483 -2.434 -8.031 -8.047 1.00 0.00 O ATOM 436 CB ILE S 483 -4.666 -8.605 -9.484 1.00 0.00 C ATOM 437 CG1 ILE S 483 -5.781 -8.627 -10.529 1.00 0.00 C ATOM 438 CG2 ILE S 483 -4.929 -9.629 -8.395 1.00 0.00 C ATOM 439 CD1 ILE S 483 -7.125 -8.187 -9.990 1.00 0.00 C ATOM 0 H ILE S 483 -3.753 -6.370 -10.628 1.00 0.00 H new ATOM 0 HA ILE S 483 -5.416 -6.979 -8.275 1.00 0.00 H new ATOM 0 HB ILE S 483 -3.730 -8.863 -9.979 1.00 0.00 H new ATOM 0 HG12 ILE S 483 -5.502 -7.979 -11.360 1.00 0.00 H new ATOM 0 HG13 ILE S 483 -5.872 -9.637 -10.930 1.00 0.00 H new ATOM 0 HG21 ILE S 483 -5.022 -10.619 -8.841 1.00 0.00 H new ATOM 0 HG22 ILE S 483 -4.101 -9.627 -7.686 1.00 0.00 H new ATOM 0 HG23 ILE S 483 -5.853 -9.377 -7.874 1.00 0.00 H new ATOM 0 HD11 ILE S 483 -7.868 -8.228 -10.787 1.00 0.00 H new ATOM 0 HD12 ILE S 483 -7.426 -8.850 -9.179 1.00 0.00 H new ATOM 0 HD13 ILE S 483 -7.050 -7.166 -9.616 1.00 0.00 H new ATOM 451 N ILE S 484 -3.236 -6.152 -7.108 1.00 0.00 N ATOM 452 CA ILE S 484 -2.117 -6.008 -6.187 1.00 0.00 C ATOM 453 C ILE S 484 -2.291 -6.935 -4.989 1.00 0.00 C ATOM 454 O ILE S 484 -3.404 -7.359 -4.678 1.00 0.00 O ATOM 455 CB ILE S 484 -1.977 -4.554 -5.690 1.00 0.00 C ATOM 456 CG1 ILE S 484 -1.750 -3.608 -6.872 1.00 0.00 C ATOM 457 CG2 ILE S 484 -0.835 -4.435 -4.688 1.00 0.00 C ATOM 458 CD1 ILE S 484 -2.993 -2.850 -7.284 1.00 0.00 C ATOM 0 H ILE S 484 -3.945 -5.423 -7.028 1.00 0.00 H new ATOM 0 HA ILE S 484 -1.212 -6.277 -6.731 1.00 0.00 H new ATOM 0 HB ILE S 484 -2.903 -4.271 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE S 484 -0.968 -2.894 -6.611 1.00 0.00 H new ATOM 0 HG13 ILE S 484 -1.386 -4.183 -7.723 1.00 0.00 H new ATOM 0 HG21 ILE S 484 -0.754 -3.402 -4.350 1.00 0.00 H new ATOM 0 HG22 ILE S 484 -1.032 -5.082 -3.833 1.00 0.00 H new ATOM 0 HG23 ILE S 484 0.099 -4.736 -5.163 1.00 0.00 H new ATOM 0 HD11 ILE S 484 -2.760 -2.199 -8.126 1.00 0.00 H new ATOM 0 HD12 ILE S 484 -3.770 -3.557 -7.576 1.00 0.00 H new ATOM 0 HD13 ILE S 484 -3.346 -2.248 -6.447 1.00 0.00 H new ATOM 470 N LEU S 485 -1.188 -7.245 -4.323 1.00 0.00 N ATOM 471 CA LEU S 485 -1.227 -8.121 -3.161 1.00 0.00 C ATOM 472 C LEU S 485 -1.139 -7.305 -1.880 1.00 0.00 C ATOM 473 O LEU S 485 -0.102 -6.715 -1.576 1.00 0.00 O ATOM 474 CB LEU S 485 -0.082 -9.145 -3.234 1.00 0.00 C ATOM 475 CG LEU S 485 0.324 -9.816 -1.910 1.00 0.00 C ATOM 476 CD1 LEU S 485 1.334 -8.958 -1.163 1.00 0.00 C ATOM 477 CD2 LEU S 485 -0.891 -10.094 -1.035 1.00 0.00 C ATOM 0 H LEU S 485 -0.258 -6.904 -4.566 1.00 0.00 H new ATOM 0 HA LEU S 485 -2.174 -8.660 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU S 485 -0.367 -9.926 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU S 485 0.795 -8.647 -3.647 1.00 0.00 H new ATOM 0 HG LEU S 485 0.789 -10.772 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU S 485 1.609 -9.449 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU S 485 2.224 -8.824 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU S 485 0.894 -7.985 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU S 485 -0.570 -10.568 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU S 485 -1.397 -9.156 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU S 485 -1.576 -10.757 -1.564 1.00 0.00 H new ATOM 489 N VAL S 486 -2.227 -7.287 -1.120 1.00 0.00 N ATOM 490 CA VAL S 486 -2.252 -6.556 0.137 1.00 0.00 C ATOM 491 C VAL S 486 -1.520 -7.352 1.192 1.00 0.00 C ATOM 492 O VAL S 486 -1.881 -8.489 1.478 1.00 0.00 O ATOM 493 CB VAL S 486 -3.675 -6.279 0.664 1.00 0.00 C ATOM 494 CG1 VAL S 486 -3.693 -4.994 1.458 1.00 0.00 C ATOM 495 CG2 VAL S 486 -4.708 -6.215 -0.453 1.00 0.00 C ATOM 0 H VAL S 486 -3.097 -7.767 -1.351 1.00 0.00 H new ATOM 0 HA VAL S 486 -1.776 -5.595 -0.061 1.00 0.00 H new ATOM 0 HB VAL S 486 -3.947 -7.115 1.308 1.00 0.00 H new ATOM 0 HG11 VAL S 486 -4.702 -4.808 1.826 1.00 0.00 H new ATOM 0 HG12 VAL S 486 -3.009 -5.078 2.302 1.00 0.00 H new ATOM 0 HG13 VAL S 486 -3.381 -4.167 0.820 1.00 0.00 H new ATOM 0 HG21 VAL S 486 -5.692 -6.018 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL S 486 -4.445 -5.416 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL S 486 -4.727 -7.166 -0.986 1.00 0.00 H new ATOM 505 N LEU S 487 -0.489 -6.771 1.768 1.00 0.00 N ATOM 506 CA LEU S 487 0.269 -7.472 2.783 1.00 0.00 C ATOM 507 C LEU S 487 -0.329 -7.281 4.173 1.00 0.00 C ATOM 508 O LEU S 487 -0.091 -8.092 5.066 1.00 0.00 O ATOM 509 CB LEU S 487 1.720 -7.014 2.769 1.00 0.00 C ATOM 510 CG LEU S 487 2.647 -7.821 1.856 1.00 0.00 C ATOM 511 CD1 LEU S 487 4.098 -7.461 2.125 1.00 0.00 C ATOM 512 CD2 LEU S 487 2.424 -9.316 2.043 1.00 0.00 C ATOM 0 H LEU S 487 -0.160 -5.829 1.555 1.00 0.00 H new ATOM 0 HA LEU S 487 0.225 -8.535 2.548 1.00 0.00 H new ATOM 0 HB2 LEU S 487 1.752 -5.969 2.461 1.00 0.00 H new ATOM 0 HB3 LEU S 487 2.109 -7.059 3.786 1.00 0.00 H new ATOM 0 HG LEU S 487 2.412 -7.570 0.822 1.00 0.00 H new ATOM 0 HD11 LEU S 487 4.745 -8.043 1.468 1.00 0.00 H new ATOM 0 HD12 LEU S 487 4.250 -6.398 1.936 1.00 0.00 H new ATOM 0 HD13 LEU S 487 4.341 -7.683 3.164 1.00 0.00 H new ATOM 0 HD21 LEU S 487 3.094 -9.869 1.384 1.00 0.00 H new ATOM 0 HD22 LEU S 487 2.628 -9.588 3.079 1.00 0.00 H new ATOM 0 HD23 LEU S 487 1.390 -9.563 1.800 1.00 0.00 H new ATOM 524 N SER S 488 -1.108 -6.217 4.348 1.00 0.00 N ATOM 525 CA SER S 488 -1.742 -5.926 5.643 1.00 0.00 C ATOM 526 C SER S 488 -2.289 -4.505 5.691 1.00 0.00 C ATOM 527 O SER S 488 -1.940 -3.666 4.864 1.00 0.00 O ATOM 528 CB SER S 488 -0.737 -6.077 6.793 1.00 0.00 C ATOM 529 OG SER S 488 -1.382 -6.496 7.983 1.00 0.00 O ATOM 0 H SER S 488 -1.319 -5.540 3.615 1.00 0.00 H new ATOM 0 HA SER S 488 -2.558 -6.640 5.755 1.00 0.00 H new ATOM 0 HB2 SER S 488 0.030 -6.801 6.517 1.00 0.00 H new ATOM 0 HB3 SER S 488 -0.231 -5.127 6.965 1.00 0.00 H new ATOM 0 HG SER S 488 -0.720 -6.586 8.700 1.00 0.00 H new ATOM 535 N LYS S 489 -3.111 -4.234 6.703 1.00 0.00 N ATOM 536 CA LYS S 489 -3.666 -2.901 6.900 1.00 0.00 C ATOM 537 C LYS S 489 -2.622 -2.041 7.599 1.00 0.00 C ATOM 538 O LYS S 489 -1.978 -2.497 8.544 1.00 0.00 O ATOM 539 CB LYS S 489 -4.947 -2.967 7.733 1.00 0.00 C ATOM 540 CG LYS S 489 -5.942 -1.863 7.409 1.00 0.00 C ATOM 541 CD LYS S 489 -6.022 -0.836 8.525 1.00 0.00 C ATOM 542 CE LYS S 489 -7.422 -0.255 8.648 1.00 0.00 C ATOM 543 NZ LYS S 489 -8.406 -1.268 9.116 1.00 0.00 N ATOM 0 H LYS S 489 -3.406 -4.921 7.397 1.00 0.00 H new ATOM 0 HA LYS S 489 -3.921 -2.464 5.934 1.00 0.00 H new ATOM 0 HB2 LYS S 489 -5.425 -3.934 7.573 1.00 0.00 H new ATOM 0 HB3 LYS S 489 -4.686 -2.911 8.790 1.00 0.00 H new ATOM 0 HG2 LYS S 489 -5.651 -1.371 6.481 1.00 0.00 H new ATOM 0 HG3 LYS S 489 -6.928 -2.298 7.243 1.00 0.00 H new ATOM 0 HD2 LYS S 489 -5.735 -1.300 9.469 1.00 0.00 H new ATOM 0 HD3 LYS S 489 -5.309 -0.034 8.334 1.00 0.00 H new ATOM 0 HE2 LYS S 489 -7.407 0.584 9.344 1.00 0.00 H new ATOM 0 HE3 LYS S 489 -7.738 0.138 7.682 1.00 0.00 H new ATOM 0 HZ1 LYS S 489 -9.202 -0.789 9.583 1.00 0.00 H new ATOM 0 HZ2 LYS S 489 -8.758 -1.812 8.302 1.00 0.00 H new ATOM 0 HZ3 LYS S 489 -7.946 -1.913 9.790 1.00 0.00 H new ATOM 557 N VAL S 490 -2.420 -0.817 7.124 1.00 0.00 N ATOM 558 CA VAL S 490 -1.404 0.047 7.722 1.00 0.00 C ATOM 559 C VAL S 490 -2.008 1.223 8.498 1.00 0.00 C ATOM 560 O VAL S 490 -1.390 1.728 9.435 1.00 0.00 O ATOM 561 CB VAL S 490 -0.393 0.532 6.656 1.00 0.00 C ATOM 562 CG1 VAL S 490 0.571 1.571 7.221 1.00 0.00 C ATOM 563 CG2 VAL S 490 0.382 -0.661 6.100 1.00 0.00 C ATOM 0 H VAL S 490 -2.933 -0.406 6.344 1.00 0.00 H new ATOM 0 HA VAL S 490 -0.866 -0.557 8.453 1.00 0.00 H new ATOM 0 HB VAL S 490 -0.954 1.010 5.853 1.00 0.00 H new ATOM 0 HG11 VAL S 490 1.264 1.886 6.441 1.00 0.00 H new ATOM 0 HG12 VAL S 490 0.008 2.434 7.576 1.00 0.00 H new ATOM 0 HG13 VAL S 490 1.130 1.136 8.050 1.00 0.00 H new ATOM 0 HG21 VAL S 490 1.093 -0.315 5.350 1.00 0.00 H new ATOM 0 HG22 VAL S 490 0.920 -1.155 6.909 1.00 0.00 H new ATOM 0 HG23 VAL S 490 -0.313 -1.366 5.644 1.00 0.00 H new ATOM 573 N ASN S 491 -3.217 1.647 8.140 1.00 0.00 N ATOM 574 CA ASN S 491 -3.860 2.742 8.864 1.00 0.00 C ATOM 575 C ASN S 491 -5.287 2.985 8.366 1.00 0.00 C ATOM 576 O ASN S 491 -5.856 2.161 7.649 1.00 0.00 O ATOM 577 CB ASN S 491 -3.010 4.021 8.784 1.00 0.00 C ATOM 578 CG ASN S 491 -3.356 4.913 7.608 1.00 0.00 C ATOM 579 OD1 ASN S 491 -3.894 4.453 6.602 1.00 0.00 O ATOM 580 ND2 ASN S 491 -3.051 6.199 7.736 1.00 0.00 N ATOM 0 H ASN S 491 -3.762 1.260 7.370 1.00 0.00 H new ATOM 0 HA ASN S 491 -3.933 2.452 9.912 1.00 0.00 H new ATOM 0 HB2 ASN S 491 -3.135 4.587 9.707 1.00 0.00 H new ATOM 0 HB3 ASN S 491 -1.958 3.743 8.720 1.00 0.00 H new ATOM 0 HD21 ASN S 491 -3.263 6.851 6.981 1.00 0.00 H new ATOM 0 HD22 ASN S 491 -2.605 6.535 8.590 1.00 0.00 H new ATOM 587 N GLU S 492 -5.862 4.113 8.773 1.00 0.00 N ATOM 588 CA GLU S 492 -7.229 4.471 8.401 1.00 0.00 C ATOM 589 C GLU S 492 -7.460 4.401 6.890 1.00 0.00 C ATOM 590 O GLU S 492 -8.577 4.144 6.442 1.00 0.00 O ATOM 591 CB GLU S 492 -7.558 5.877 8.906 1.00 0.00 C ATOM 592 CG GLU S 492 -6.636 6.953 8.356 1.00 0.00 C ATOM 593 CD GLU S 492 -6.849 8.299 9.020 1.00 0.00 C ATOM 594 OE1 GLU S 492 -7.204 8.321 10.218 1.00 0.00 O ATOM 595 OE2 GLU S 492 -6.665 9.332 8.342 1.00 0.00 O ATOM 0 H GLU S 492 -5.398 4.801 9.366 1.00 0.00 H new ATOM 0 HA GLU S 492 -7.890 3.741 8.869 1.00 0.00 H new ATOM 0 HB2 GLU S 492 -8.586 6.119 8.637 1.00 0.00 H new ATOM 0 HB3 GLU S 492 -7.503 5.885 9.995 1.00 0.00 H new ATOM 0 HG2 GLU S 492 -5.600 6.644 8.494 1.00 0.00 H new ATOM 0 HG3 GLU S 492 -6.799 7.052 7.283 1.00 0.00 H new ATOM 602 N GLU S 493 -6.413 4.638 6.109 1.00 0.00 N ATOM 603 CA GLU S 493 -6.533 4.606 4.654 1.00 0.00 C ATOM 604 C GLU S 493 -5.203 4.247 3.999 1.00 0.00 C ATOM 605 O GLU S 493 -4.768 4.902 3.051 1.00 0.00 O ATOM 606 CB GLU S 493 -7.023 5.958 4.134 1.00 0.00 C ATOM 607 CG GLU S 493 -7.766 5.869 2.811 1.00 0.00 C ATOM 608 CD GLU S 493 -9.116 5.192 2.945 1.00 0.00 C ATOM 609 OE1 GLU S 493 -9.162 3.945 2.901 1.00 0.00 O ATOM 610 OE2 GLU S 493 -10.128 5.910 3.093 1.00 0.00 O ATOM 0 H GLU S 493 -5.477 4.853 6.454 1.00 0.00 H new ATOM 0 HA GLU S 493 -7.260 3.837 4.394 1.00 0.00 H new ATOM 0 HB2 GLU S 493 -7.678 6.409 4.879 1.00 0.00 H new ATOM 0 HB3 GLU S 493 -6.168 6.624 4.017 1.00 0.00 H new ATOM 0 HG2 GLU S 493 -7.905 6.872 2.408 1.00 0.00 H new ATOM 0 HG3 GLU S 493 -7.158 5.319 2.093 1.00 0.00 H new ATOM 617 N TRP S 494 -4.572 3.196 4.504 1.00 0.00 N ATOM 618 CA TRP S 494 -3.296 2.734 3.973 1.00 0.00 C ATOM 619 C TRP S 494 -3.045 1.290 4.378 1.00 0.00 C ATOM 620 O TRP S 494 -3.611 0.797 5.354 1.00 0.00 O ATOM 621 CB TRP S 494 -2.142 3.616 4.455 1.00 0.00 C ATOM 622 CG TRP S 494 -2.167 5.007 3.892 1.00 0.00 C ATOM 623 CD1 TRP S 494 -2.814 6.090 4.413 1.00 0.00 C ATOM 624 CD2 TRP S 494 -1.511 5.472 2.702 1.00 0.00 C ATOM 625 NE1 TRP S 494 -2.594 7.195 3.633 1.00 0.00 N ATOM 626 CE2 TRP S 494 -1.802 6.842 2.574 1.00 0.00 C ATOM 627 CE3 TRP S 494 -0.704 4.865 1.735 1.00 0.00 C ATOM 628 CZ2 TRP S 494 -1.318 7.615 1.524 1.00 0.00 C ATOM 629 CZ3 TRP S 494 -0.224 5.635 0.689 1.00 0.00 C ATOM 630 CH2 TRP S 494 -0.533 6.998 0.593 1.00 0.00 C ATOM 0 H TRP S 494 -4.925 2.644 5.286 1.00 0.00 H new ATOM 0 HA TRP S 494 -3.346 2.799 2.886 1.00 0.00 H new ATOM 0 HB2 TRP S 494 -2.171 3.674 5.543 1.00 0.00 H new ATOM 0 HB3 TRP S 494 -1.198 3.142 4.186 1.00 0.00 H new ATOM 0 HD1 TRP S 494 -3.413 6.078 5.311 1.00 0.00 H new ATOM 0 HE1 TRP S 494 -2.961 8.130 3.813 1.00 0.00 H new ATOM 0 HE3 TRP S 494 -0.460 3.815 1.803 1.00 0.00 H new ATOM 0 HZ2 TRP S 494 -1.555 8.666 1.448 1.00 0.00 H new ATOM 0 HZ3 TRP S 494 0.399 5.177 -0.065 1.00 0.00 H new ATOM 0 HH2 TRP S 494 -0.142 7.572 -0.234 1.00 0.00 H new ATOM 641 N LEU S 495 -2.205 0.613 3.613 1.00 0.00 N ATOM 642 CA LEU S 495 -1.885 -0.777 3.871 1.00 0.00 C ATOM 643 C LEU S 495 -0.561 -1.166 3.235 1.00 0.00 C ATOM 644 O LEU S 495 0.017 -0.401 2.462 1.00 0.00 O ATOM 645 CB LEU S 495 -3.015 -1.674 3.363 1.00 0.00 C ATOM 646 CG LEU S 495 -3.816 -1.115 2.183 1.00 0.00 C ATOM 647 CD1 LEU S 495 -3.569 -1.923 0.922 1.00 0.00 C ATOM 648 CD2 LEU S 495 -5.297 -1.087 2.525 1.00 0.00 C ATOM 0 H LEU S 495 -1.730 1.010 2.802 1.00 0.00 H new ATOM 0 HA LEU S 495 -1.783 -0.912 4.948 1.00 0.00 H new ATOM 0 HB2 LEU S 495 -2.590 -2.634 3.070 1.00 0.00 H new ATOM 0 HB3 LEU S 495 -3.701 -1.867 4.187 1.00 0.00 H new ATOM 0 HG LEU S 495 -3.481 -0.095 1.992 1.00 0.00 H new ATOM 0 HD11 LEU S 495 -4.150 -1.503 0.101 1.00 0.00 H new ATOM 0 HD12 LEU S 495 -2.509 -1.889 0.670 1.00 0.00 H new ATOM 0 HD13 LEU S 495 -3.870 -2.957 1.088 1.00 0.00 H new ATOM 0 HD21 LEU S 495 -5.858 -0.688 1.680 1.00 0.00 H new ATOM 0 HD22 LEU S 495 -5.639 -2.099 2.743 1.00 0.00 H new ATOM 0 HD23 LEU S 495 -5.457 -0.454 3.398 1.00 0.00 H new ATOM 660 N GLU S 496 -0.076 -2.356 3.572 1.00 0.00 N ATOM 661 CA GLU S 496 1.190 -2.831 3.039 1.00 0.00 C ATOM 662 C GLU S 496 1.007 -3.359 1.628 1.00 0.00 C ATOM 663 O GLU S 496 0.165 -4.219 1.373 1.00 0.00 O ATOM 664 CB GLU S 496 1.784 -3.908 3.946 1.00 0.00 C ATOM 665 CG GLU S 496 3.197 -4.315 3.557 1.00 0.00 C ATOM 666 CD GLU S 496 3.753 -5.416 4.439 1.00 0.00 C ATOM 667 OE1 GLU S 496 3.050 -5.835 5.382 1.00 0.00 O ATOM 668 OE2 GLU S 496 4.893 -5.857 4.187 1.00 0.00 O ATOM 0 H GLU S 496 -0.539 -3.004 4.209 1.00 0.00 H new ATOM 0 HA GLU S 496 1.886 -1.993 3.004 1.00 0.00 H new ATOM 0 HB2 GLU S 496 1.789 -3.545 4.974 1.00 0.00 H new ATOM 0 HB3 GLU S 496 1.141 -4.788 3.922 1.00 0.00 H new ATOM 0 HG2 GLU S 496 3.202 -4.649 2.519 1.00 0.00 H new ATOM 0 HG3 GLU S 496 3.850 -3.444 3.615 1.00 0.00 H new ATOM 675 N GLY S 497 1.790 -2.810 0.709 1.00 0.00 N ATOM 676 CA GLY S 497 1.692 -3.202 -0.676 1.00 0.00 C ATOM 677 C GLY S 497 2.927 -3.918 -1.199 1.00 0.00 C ATOM 678 O GLY S 497 4.032 -3.384 -1.142 1.00 0.00 O ATOM 0 H GLY S 497 2.493 -2.097 0.903 1.00 0.00 H new ATOM 0 HA2 GLY S 497 0.826 -3.853 -0.800 1.00 0.00 H new ATOM 0 HA3 GLY S 497 1.513 -2.315 -1.283 1.00 0.00 H new ATOM 682 N GLU S 498 2.731 -5.125 -1.724 1.00 0.00 N ATOM 683 CA GLU S 498 3.827 -5.915 -2.280 1.00 0.00 C ATOM 684 C GLU S 498 3.416 -6.501 -3.631 1.00 0.00 C ATOM 685 O GLU S 498 2.694 -7.495 -3.686 1.00 0.00 O ATOM 686 CB GLU S 498 4.216 -7.038 -1.318 1.00 0.00 C ATOM 687 CG GLU S 498 5.698 -7.375 -1.342 1.00 0.00 C ATOM 688 CD GLU S 498 5.974 -8.756 -1.905 1.00 0.00 C ATOM 689 OE1 GLU S 498 5.163 -9.237 -2.724 1.00 0.00 O ATOM 690 OE2 GLU S 498 7.004 -9.356 -1.528 1.00 0.00 O ATOM 0 H GLU S 498 1.819 -5.579 -1.776 1.00 0.00 H new ATOM 0 HA GLU S 498 4.690 -5.264 -2.422 1.00 0.00 H new ATOM 0 HB2 GLU S 498 3.934 -6.751 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU S 498 3.645 -7.932 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU S 498 6.226 -6.631 -1.939 1.00 0.00 H new ATOM 0 HG3 GLU S 498 6.097 -7.313 -0.330 1.00 0.00 H new ATOM 697 N SER S 499 3.860 -5.871 -4.716 1.00 0.00 N ATOM 698 CA SER S 499 3.510 -6.334 -6.055 1.00 0.00 C ATOM 699 C SER S 499 4.732 -6.440 -6.963 1.00 0.00 C ATOM 700 O SER S 499 5.351 -5.436 -7.314 1.00 0.00 O ATOM 701 CB SER S 499 2.481 -5.391 -6.684 1.00 0.00 C ATOM 702 OG SER S 499 2.373 -5.611 -8.079 1.00 0.00 O ATOM 0 H SER S 499 4.458 -5.045 -4.695 1.00 0.00 H new ATOM 0 HA SER S 499 3.084 -7.332 -5.953 1.00 0.00 H new ATOM 0 HB2 SER S 499 1.510 -5.541 -6.213 1.00 0.00 H new ATOM 0 HB3 SER S 499 2.769 -4.357 -6.497 1.00 0.00 H new ATOM 0 HG SER S 499 1.709 -4.997 -8.456 1.00 0.00 H new ATOM 708 N LYS S 500 5.053 -7.667 -7.357 1.00 0.00 N ATOM 709 CA LYS S 500 6.181 -7.929 -8.250 1.00 0.00 C ATOM 710 C LYS S 500 7.509 -7.489 -7.639 1.00 0.00 C ATOM 711 O LYS S 500 7.941 -6.353 -7.831 1.00 0.00 O ATOM 712 CB LYS S 500 5.967 -7.219 -9.588 1.00 0.00 C ATOM 713 CG LYS S 500 4.588 -7.447 -10.185 1.00 0.00 C ATOM 714 CD LYS S 500 4.554 -8.696 -11.048 1.00 0.00 C ATOM 715 CE LYS S 500 4.017 -9.891 -10.277 1.00 0.00 C ATOM 716 NZ LYS S 500 4.320 -11.177 -10.965 1.00 0.00 N ATOM 0 H LYS S 500 4.545 -8.504 -7.071 1.00 0.00 H new ATOM 0 HA LYS S 500 6.229 -9.006 -8.408 1.00 0.00 H new ATOM 0 HB2 LYS S 500 6.122 -6.149 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS S 500 6.721 -7.562 -10.296 1.00 0.00 H new ATOM 0 HG2 LYS S 500 3.854 -7.537 -9.384 1.00 0.00 H new ATOM 0 HG3 LYS S 500 4.302 -6.582 -10.784 1.00 0.00 H new ATOM 0 HD2 LYS S 500 3.931 -8.517 -11.924 1.00 0.00 H new ATOM 0 HD3 LYS S 500 5.558 -8.917 -11.410 1.00 0.00 H new ATOM 0 HE2 LYS S 500 4.451 -9.903 -9.277 1.00 0.00 H new ATOM 0 HE3 LYS S 500 2.939 -9.790 -10.155 1.00 0.00 H new ATOM 0 HZ1 LYS S 500 3.937 -11.967 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS S 500 3.885 -11.176 -11.909 1.00 0.00 H new ATOM 0 HZ3 LYS S 500 5.350 -11.286 -11.059 1.00 0.00 H new ATOM 730 N GLY S 501 8.155 -8.410 -6.921 1.00 0.00 N ATOM 731 CA GLY S 501 9.445 -8.130 -6.296 1.00 0.00 C ATOM 732 C GLY S 501 9.628 -6.678 -5.895 1.00 0.00 C ATOM 733 O GLY S 501 10.698 -6.102 -6.091 1.00 0.00 O ATOM 0 H GLY S 501 7.805 -9.354 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY S 501 9.554 -8.758 -5.412 1.00 0.00 H new ATOM 0 HA3 GLY S 501 10.241 -8.410 -6.986 1.00 0.00 H new ATOM 737 N LYS S 502 8.582 -6.087 -5.332 1.00 0.00 N ATOM 738 CA LYS S 502 8.631 -4.698 -4.902 1.00 0.00 C ATOM 739 C LYS S 502 7.724 -4.486 -3.700 1.00 0.00 C ATOM 740 O LYS S 502 6.538 -4.815 -3.738 1.00 0.00 O ATOM 741 CB LYS S 502 8.221 -3.766 -6.041 1.00 0.00 C ATOM 742 CG LYS S 502 9.391 -3.313 -6.899 1.00 0.00 C ATOM 743 CD LYS S 502 8.963 -3.054 -8.335 1.00 0.00 C ATOM 744 CE LYS S 502 9.776 -1.934 -8.965 1.00 0.00 C ATOM 745 NZ LYS S 502 9.168 -1.452 -10.234 1.00 0.00 N ATOM 0 H LYS S 502 7.689 -6.550 -5.163 1.00 0.00 H new ATOM 0 HA LYS S 502 9.656 -4.464 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS S 502 7.492 -4.274 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS S 502 7.725 -2.890 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS S 502 9.822 -2.405 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS S 502 10.171 -4.074 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS S 502 9.082 -3.965 -8.921 1.00 0.00 H new ATOM 0 HD3 LYS S 502 7.905 -2.795 -8.359 1.00 0.00 H new ATOM 0 HE2 LYS S 502 9.856 -1.104 -8.263 1.00 0.00 H new ATOM 0 HE3 LYS S 502 10.789 -2.286 -9.159 1.00 0.00 H new ATOM 0 HZ1 LYS S 502 9.753 -0.689 -10.631 1.00 0.00 H new ATOM 0 HZ2 LYS S 502 9.115 -2.237 -10.914 1.00 0.00 H new ATOM 0 HZ3 LYS S 502 8.211 -1.092 -10.046 1.00 0.00 H new ATOM 759 N VAL S 503 8.290 -3.942 -2.632 1.00 0.00 N ATOM 760 CA VAL S 503 7.528 -3.699 -1.419 1.00 0.00 C ATOM 761 C VAL S 503 7.283 -2.211 -1.197 1.00 0.00 C ATOM 762 O VAL S 503 8.175 -1.382 -1.373 1.00 0.00 O ATOM 763 CB VAL S 503 8.232 -4.294 -0.186 1.00 0.00 C ATOM 764 CG1 VAL S 503 7.340 -4.197 1.043 1.00 0.00 C ATOM 765 CG2 VAL S 503 8.629 -5.740 -0.452 1.00 0.00 C ATOM 0 H VAL S 503 9.270 -3.662 -2.582 1.00 0.00 H new ATOM 0 HA VAL S 503 6.566 -4.194 -1.550 1.00 0.00 H new ATOM 0 HB VAL S 503 9.136 -3.717 0.008 1.00 0.00 H new ATOM 0 HG11 VAL S 503 7.857 -4.623 1.903 1.00 0.00 H new ATOM 0 HG12 VAL S 503 7.107 -3.151 1.242 1.00 0.00 H new ATOM 0 HG13 VAL S 503 6.416 -4.747 0.866 1.00 0.00 H new ATOM 0 HG21 VAL S 503 9.126 -6.149 0.428 1.00 0.00 H new ATOM 0 HG22 VAL S 503 7.738 -6.328 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL S 503 9.308 -5.780 -1.304 1.00 0.00 H new ATOM 775 N GLY S 504 6.058 -1.896 -0.808 1.00 0.00 N ATOM 776 CA GLY S 504 5.662 -0.526 -0.554 1.00 0.00 C ATOM 777 C GLY S 504 4.319 -0.480 0.138 1.00 0.00 C ATOM 778 O GLY S 504 3.915 -1.464 0.753 1.00 0.00 O ATOM 0 H GLY S 504 5.316 -2.581 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY S 504 6.413 -0.033 0.064 1.00 0.00 H new ATOM 0 HA3 GLY S 504 5.612 0.024 -1.494 1.00 0.00 H new ATOM 782 N ILE S 505 3.616 0.642 0.035 1.00 0.00 N ATOM 783 CA ILE S 505 2.305 0.762 0.663 1.00 0.00 C ATOM 784 C ILE S 505 1.380 1.664 -0.135 1.00 0.00 C ATOM 785 O ILE S 505 1.830 2.530 -0.882 1.00 0.00 O ATOM 786 CB ILE S 505 2.403 1.288 2.104 1.00 0.00 C ATOM 787 CG1 ILE S 505 3.417 2.432 2.200 1.00 0.00 C ATOM 788 CG2 ILE S 505 2.781 0.152 3.038 1.00 0.00 C ATOM 789 CD1 ILE S 505 3.044 3.482 3.226 1.00 0.00 C ATOM 0 H ILE S 505 3.926 1.472 -0.470 1.00 0.00 H new ATOM 0 HA ILE S 505 1.888 -0.245 0.685 1.00 0.00 H new ATOM 0 HB ILE S 505 1.431 1.682 2.402 1.00 0.00 H new ATOM 0 HG12 ILE S 505 4.395 2.021 2.451 1.00 0.00 H new ATOM 0 HG13 ILE S 505 3.512 2.907 1.223 1.00 0.00 H new ATOM 0 HG21 ILE S 505 2.850 0.528 4.059 1.00 0.00 H new ATOM 0 HG22 ILE S 505 2.021 -0.628 2.989 1.00 0.00 H new ATOM 0 HG23 ILE S 505 3.744 -0.261 2.738 1.00 0.00 H new ATOM 0 HD11 ILE S 505 3.805 4.262 3.241 1.00 0.00 H new ATOM 0 HD12 ILE S 505 2.081 3.920 2.965 1.00 0.00 H new ATOM 0 HD13 ILE S 505 2.977 3.021 4.211 1.00 0.00 H new ATOM 801 N PHE S 506 0.081 1.451 0.023 1.00 0.00 N ATOM 802 CA PHE S 506 -0.904 2.246 -0.698 1.00 0.00 C ATOM 803 C PHE S 506 -2.208 2.372 0.083 1.00 0.00 C ATOM 804 O PHE S 506 -2.500 1.563 0.961 1.00 0.00 O ATOM 805 CB PHE S 506 -1.180 1.629 -2.070 1.00 0.00 C ATOM 806 CG PHE S 506 -1.716 0.226 -2.009 1.00 0.00 C ATOM 807 CD1 PHE S 506 -0.958 -0.798 -1.463 1.00 0.00 C ATOM 808 CD2 PHE S 506 -2.975 -0.070 -2.504 1.00 0.00 C ATOM 809 CE1 PHE S 506 -1.448 -2.090 -1.413 1.00 0.00 C ATOM 810 CE2 PHE S 506 -3.471 -1.360 -2.456 1.00 0.00 C ATOM 811 CZ PHE S 506 -2.704 -2.370 -1.910 1.00 0.00 C ATOM 0 H PHE S 506 -0.313 0.740 0.639 1.00 0.00 H new ATOM 0 HA PHE S 506 -0.489 3.246 -0.825 1.00 0.00 H new ATOM 0 HB2 PHE S 506 -1.893 2.257 -2.603 1.00 0.00 H new ATOM 0 HB3 PHE S 506 -0.257 1.630 -2.651 1.00 0.00 H new ATOM 0 HD1 PHE S 506 0.026 -0.584 -1.072 1.00 0.00 H new ATOM 0 HD2 PHE S 506 -3.577 0.717 -2.933 1.00 0.00 H new ATOM 0 HE1 PHE S 506 -0.848 -2.879 -0.985 1.00 0.00 H new ATOM 0 HE2 PHE S 506 -4.455 -1.577 -2.844 1.00 0.00 H new ATOM 0 HZ PHE S 506 -3.087 -3.379 -1.872 1.00 0.00 H new ATOM 821 N PRO S 507 -3.010 3.402 -0.233 1.00 0.00 N ATOM 822 CA PRO S 507 -4.286 3.646 0.428 1.00 0.00 C ATOM 823 C PRO S 507 -5.421 2.827 -0.181 1.00 0.00 C ATOM 824 O PRO S 507 -5.662 2.873 -1.386 1.00 0.00 O ATOM 825 CB PRO S 507 -4.500 5.139 0.206 1.00 0.00 C ATOM 826 CG PRO S 507 -3.840 5.426 -1.102 1.00 0.00 C ATOM 827 CD PRO S 507 -2.732 4.415 -1.269 1.00 0.00 C ATOM 0 HA PRO S 507 -4.277 3.356 1.479 1.00 0.00 H new ATOM 0 HB2 PRO S 507 -5.561 5.387 0.177 1.00 0.00 H new ATOM 0 HB3 PRO S 507 -4.057 5.726 1.010 1.00 0.00 H new ATOM 0 HG2 PRO S 507 -4.557 5.351 -1.920 1.00 0.00 H new ATOM 0 HG3 PRO S 507 -3.442 6.441 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO S 507 -2.739 3.977 -2.267 1.00 0.00 H new ATOM 0 HD3 PRO S 507 -1.752 4.871 -1.128 1.00 0.00 H new ATOM 835 N LYS S 508 -6.103 2.069 0.671 1.00 0.00 N ATOM 836 CA LYS S 508 -7.208 1.216 0.250 1.00 0.00 C ATOM 837 C LYS S 508 -8.229 1.971 -0.604 1.00 0.00 C ATOM 838 O LYS S 508 -8.950 1.365 -1.397 1.00 0.00 O ATOM 839 CB LYS S 508 -7.892 0.628 1.484 1.00 0.00 C ATOM 840 CG LYS S 508 -8.505 -0.739 1.242 1.00 0.00 C ATOM 841 CD LYS S 508 -10.024 -0.685 1.271 1.00 0.00 C ATOM 842 CE LYS S 508 -10.547 -0.438 2.678 1.00 0.00 C ATOM 843 NZ LYS S 508 -10.740 -1.710 3.430 1.00 0.00 N ATOM 0 H LYS S 508 -5.906 2.029 1.671 1.00 0.00 H new ATOM 0 HA LYS S 508 -6.798 0.418 -0.369 1.00 0.00 H new ATOM 0 HB2 LYS S 508 -7.164 0.553 2.292 1.00 0.00 H new ATOM 0 HB3 LYS S 508 -8.671 1.313 1.819 1.00 0.00 H new ATOM 0 HG2 LYS S 508 -8.172 -1.122 0.277 1.00 0.00 H new ATOM 0 HG3 LYS S 508 -8.151 -1.437 2.001 1.00 0.00 H new ATOM 0 HD2 LYS S 508 -10.374 0.106 0.608 1.00 0.00 H new ATOM 0 HD3 LYS S 508 -10.430 -1.622 0.890 1.00 0.00 H new ATOM 0 HE2 LYS S 508 -9.848 0.201 3.218 1.00 0.00 H new ATOM 0 HE3 LYS S 508 -11.494 0.099 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS S 508 -11.097 -1.499 4.384 1.00 0.00 H new ATOM 0 HZ2 LYS S 508 -11.426 -2.309 2.928 1.00 0.00 H new ATOM 0 HZ3 LYS S 508 -9.832 -2.211 3.504 1.00 0.00 H new ATOM 857 N VAL S 509 -8.289 3.289 -0.446 1.00 0.00 N ATOM 858 CA VAL S 509 -9.230 4.100 -1.215 1.00 0.00 C ATOM 859 C VAL S 509 -9.083 3.837 -2.715 1.00 0.00 C ATOM 860 O VAL S 509 -10.021 4.041 -3.486 1.00 0.00 O ATOM 861 CB VAL S 509 -9.044 5.607 -0.934 1.00 0.00 C ATOM 862 CG1 VAL S 509 -7.576 5.991 -1.013 1.00 0.00 C ATOM 863 CG2 VAL S 509 -9.873 6.448 -1.895 1.00 0.00 C ATOM 0 H VAL S 509 -7.703 3.816 0.201 1.00 0.00 H new ATOM 0 HA VAL S 509 -10.232 3.810 -0.898 1.00 0.00 H new ATOM 0 HB VAL S 509 -9.396 5.807 0.078 1.00 0.00 H new ATOM 0 HG11 VAL S 509 -7.467 7.057 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL S 509 -7.011 5.423 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL S 509 -7.195 5.769 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL S 509 -9.724 7.505 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL S 509 -9.562 6.243 -2.919 1.00 0.00 H new ATOM 0 HG23 VAL S 509 -10.928 6.199 -1.779 1.00 0.00 H new ATOM 873 N PHE S 510 -7.900 3.382 -3.122 1.00 0.00 N ATOM 874 CA PHE S 510 -7.632 3.092 -4.527 1.00 0.00 C ATOM 875 C PHE S 510 -7.889 1.626 -4.849 1.00 0.00 C ATOM 876 O PHE S 510 -7.494 1.142 -5.909 1.00 0.00 O ATOM 877 CB PHE S 510 -6.186 3.436 -4.870 1.00 0.00 C ATOM 878 CG PHE S 510 -5.945 4.906 -4.969 1.00 0.00 C ATOM 879 CD1 PHE S 510 -5.996 5.701 -3.841 1.00 0.00 C ATOM 880 CD2 PHE S 510 -5.684 5.495 -6.191 1.00 0.00 C ATOM 881 CE1 PHE S 510 -5.790 7.060 -3.926 1.00 0.00 C ATOM 882 CE2 PHE S 510 -5.483 6.855 -6.290 1.00 0.00 C ATOM 883 CZ PHE S 510 -5.536 7.637 -5.153 1.00 0.00 C ATOM 0 H PHE S 510 -7.112 3.206 -2.498 1.00 0.00 H new ATOM 0 HA PHE S 510 -8.308 3.703 -5.125 1.00 0.00 H new ATOM 0 HB2 PHE S 510 -5.528 3.016 -4.109 1.00 0.00 H new ATOM 0 HB3 PHE S 510 -5.921 2.965 -5.817 1.00 0.00 H new ATOM 0 HD1 PHE S 510 -6.200 5.251 -2.880 1.00 0.00 H new ATOM 0 HD2 PHE S 510 -5.637 4.883 -7.079 1.00 0.00 H new ATOM 0 HE1 PHE S 510 -5.827 7.671 -3.036 1.00 0.00 H new ATOM 0 HE2 PHE S 510 -5.285 7.306 -7.251 1.00 0.00 H new ATOM 0 HZ PHE S 510 -5.378 8.703 -5.225 1.00 0.00 H new ATOM 893 N VAL S 511 -8.540 0.921 -3.933 1.00 0.00 N ATOM 894 CA VAL S 511 -8.829 -0.487 -4.126 1.00 0.00 C ATOM 895 C VAL S 511 -10.023 -0.922 -3.281 1.00 0.00 C ATOM 896 O VAL S 511 -9.871 -1.484 -2.196 1.00 0.00 O ATOM 897 CB VAL S 511 -7.606 -1.356 -3.766 1.00 0.00 C ATOM 898 CG1 VAL S 511 -6.371 -0.907 -4.526 1.00 0.00 C ATOM 899 CG2 VAL S 511 -7.348 -1.296 -2.279 1.00 0.00 C ATOM 0 H VAL S 511 -8.877 1.305 -3.050 1.00 0.00 H new ATOM 0 HA VAL S 511 -9.069 -0.627 -5.180 1.00 0.00 H new ATOM 0 HB VAL S 511 -7.825 -2.384 -4.053 1.00 0.00 H new ATOM 0 HG11 VAL S 511 -5.526 -1.538 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL S 511 -6.553 -0.990 -5.597 1.00 0.00 H new ATOM 0 HG13 VAL S 511 -6.146 0.130 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL S 511 -6.483 -1.912 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL S 511 -7.153 -0.265 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL S 511 -8.221 -1.668 -1.743 1.00 0.00 H new ATOM 909 N GLU S 512 -11.214 -0.665 -3.788 1.00 0.00 N ATOM 910 CA GLU S 512 -12.445 -1.033 -3.088 1.00 0.00 C ATOM 911 C GLU S 512 -12.563 -2.550 -2.904 1.00 0.00 C ATOM 912 O GLU S 512 -13.610 -3.057 -2.503 1.00 0.00 O ATOM 913 CB GLU S 512 -13.666 -0.500 -3.840 1.00 0.00 C ATOM 914 CG GLU S 512 -13.893 -1.167 -5.187 1.00 0.00 C ATOM 915 CD GLU S 512 -15.175 -0.711 -5.855 1.00 0.00 C ATOM 916 OE1 GLU S 512 -15.471 0.502 -5.808 1.00 0.00 O ATOM 917 OE2 GLU S 512 -15.883 -1.567 -6.427 1.00 0.00 O ATOM 0 H GLU S 512 -11.362 -0.202 -4.684 1.00 0.00 H new ATOM 0 HA GLU S 512 -12.406 -0.579 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU S 512 -14.552 -0.640 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU S 512 -13.549 0.573 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU S 512 -13.049 -0.950 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU S 512 -13.923 -2.248 -5.052 1.00 0.00 H new ATOM 986 N LYS P 360 -11.208 8.131 -15.336 1.00 0.00 N ATOM 987 CA LYS P 360 -11.779 8.398 -14.020 1.00 0.00 C ATOM 988 C LYS P 360 -10.829 9.230 -13.169 1.00 0.00 C ATOM 989 O LYS P 360 -9.613 9.049 -13.215 1.00 0.00 O ATOM 990 CB LYS P 360 -12.102 7.086 -13.300 1.00 0.00 C ATOM 991 CG LYS P 360 -13.508 6.573 -13.563 1.00 0.00 C ATOM 992 CD LYS P 360 -14.095 5.907 -12.327 1.00 0.00 C ATOM 993 CE LYS P 360 -15.488 5.363 -12.596 1.00 0.00 C ATOM 994 NZ LYS P 360 -15.771 4.141 -11.793 1.00 0.00 N ATOM 0 HA LYS P 360 -12.700 8.963 -14.166 1.00 0.00 H new ATOM 0 HB2 LYS P 360 -11.384 6.326 -13.609 1.00 0.00 H new ATOM 0 HB3 LYS P 360 -11.972 7.229 -12.227 1.00 0.00 H new ATOM 0 HG2 LYS P 360 -14.147 7.400 -13.871 1.00 0.00 H new ATOM 0 HG3 LYS P 360 -13.489 5.861 -14.388 1.00 0.00 H new ATOM 0 HD2 LYS P 360 -13.442 5.096 -12.005 1.00 0.00 H new ATOM 0 HD3 LYS P 360 -14.136 6.627 -11.509 1.00 0.00 H new ATOM 0 HE2 LYS P 360 -16.228 6.129 -12.364 1.00 0.00 H new ATOM 0 HE3 LYS P 360 -15.589 5.132 -13.656 1.00 0.00 H new ATOM 0 HZ1 LYS P 360 -16.731 3.801 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS P 360 -15.081 3.401 -12.032 1.00 0.00 H new ATOM 0 HZ3 LYS P 360 -15.700 4.367 -10.780 1.00 0.00 H new ATOM 1008 N PRO P 361 -11.383 10.160 -12.373 1.00 0.00 N ATOM 1009 CA PRO P 361 -10.605 11.035 -11.499 1.00 0.00 C ATOM 1010 C PRO P 361 -10.236 10.338 -10.195 1.00 0.00 C ATOM 1011 O PRO P 361 -11.017 10.332 -9.242 1.00 0.00 O ATOM 1012 CB PRO P 361 -11.563 12.214 -11.235 1.00 0.00 C ATOM 1013 CG PRO P 361 -12.798 11.924 -12.035 1.00 0.00 C ATOM 1014 CD PRO P 361 -12.809 10.447 -12.254 1.00 0.00 C ATOM 0 HA PRO P 361 -9.658 11.338 -11.945 1.00 0.00 H new ATOM 0 HB2 PRO P 361 -11.796 12.299 -10.173 1.00 0.00 H new ATOM 0 HB3 PRO P 361 -11.113 13.159 -11.539 1.00 0.00 H new ATOM 0 HG2 PRO P 361 -13.693 12.246 -11.502 1.00 0.00 H new ATOM 0 HG3 PRO P 361 -12.782 12.459 -12.984 1.00 0.00 H new ATOM 0 HD2 PRO P 361 -13.267 9.912 -11.422 1.00 0.00 H new ATOM 0 HD3 PRO P 361 -13.360 10.170 -13.153 1.00 0.00 H new ATOM 1022 N GLN P 362 -9.049 9.740 -10.164 1.00 0.00 N ATOM 1023 CA GLN P 362 -8.582 9.023 -8.979 1.00 0.00 C ATOM 1024 C GLN P 362 -8.814 9.826 -7.705 1.00 0.00 C ATOM 1025 O GLN P 362 -8.897 11.054 -7.729 1.00 0.00 O ATOM 1026 CB GLN P 362 -7.091 8.692 -9.091 1.00 0.00 C ATOM 1027 CG GLN P 362 -6.208 9.913 -9.295 1.00 0.00 C ATOM 1028 CD GLN P 362 -6.056 10.288 -10.757 1.00 0.00 C ATOM 1029 OE1 GLN P 362 -6.420 9.520 -11.647 1.00 0.00 O ATOM 1030 NE2 GLN P 362 -5.517 11.474 -11.010 1.00 0.00 N ATOM 0 H GLN P 362 -8.392 9.737 -10.945 1.00 0.00 H new ATOM 0 HA GLN P 362 -9.160 8.100 -8.924 1.00 0.00 H new ATOM 0 HB2 GLN P 362 -6.774 8.172 -8.187 1.00 0.00 H new ATOM 0 HB3 GLN P 362 -6.942 8.004 -9.923 1.00 0.00 H new ATOM 0 HG2 GLN P 362 -6.630 10.757 -8.750 1.00 0.00 H new ATOM 0 HG3 GLN P 362 -5.223 9.719 -8.870 1.00 0.00 H new ATOM 0 HE21 GLN P 362 -5.230 12.078 -10.240 1.00 0.00 H new ATOM 0 HE22 GLN P 362 -5.390 11.781 -11.974 1.00 0.00 H new ATOM 1039 N PRO P 363 -8.914 9.120 -6.575 1.00 0.00 N ATOM 1040 CA PRO P 363 -9.129 9.741 -5.271 1.00 0.00 C ATOM 1041 C PRO P 363 -7.927 10.547 -4.802 1.00 0.00 C ATOM 1042 O PRO P 363 -6.825 10.017 -4.694 1.00 0.00 O ATOM 1043 CB PRO P 363 -9.345 8.562 -4.321 1.00 0.00 C ATOM 1044 CG PRO P 363 -8.898 7.333 -5.043 1.00 0.00 C ATOM 1045 CD PRO P 363 -8.820 7.656 -6.502 1.00 0.00 C ATOM 0 HA PRO P 363 -9.964 10.440 -5.309 1.00 0.00 H new ATOM 0 HB2 PRO P 363 -8.775 8.698 -3.402 1.00 0.00 H new ATOM 0 HB3 PRO P 363 -10.394 8.483 -4.037 1.00 0.00 H new ATOM 0 HG2 PRO P 363 -7.926 7.006 -4.673 1.00 0.00 H new ATOM 0 HG3 PRO P 363 -9.597 6.514 -4.871 1.00 0.00 H new ATOM 0 HD2 PRO P 363 -7.886 7.299 -6.936 1.00 0.00 H new ATOM 0 HD3 PRO P 363 -9.630 7.181 -7.055 1.00 0.00 H new ATOM 1053 N ALA P 364 -8.139 11.821 -4.486 1.00 0.00 N ATOM 1054 CA ALA P 364 -7.051 12.655 -3.991 1.00 0.00 C ATOM 1055 C ALA P 364 -6.373 11.947 -2.826 1.00 0.00 C ATOM 1056 O ALA P 364 -6.903 11.916 -1.715 1.00 0.00 O ATOM 1057 CB ALA P 364 -7.573 14.018 -3.563 1.00 0.00 C ATOM 0 H ALA P 364 -9.040 12.292 -4.562 1.00 0.00 H new ATOM 0 HA ALA P 364 -6.325 12.814 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA P 364 -6.746 14.626 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA P 364 -8.038 14.514 -4.415 1.00 0.00 H new ATOM 0 HB3 ALA P 364 -8.310 13.893 -2.770 1.00 0.00 H new ATOM 1063 N VAL P 365 -5.218 11.343 -3.089 1.00 0.00 N ATOM 1064 CA VAL P 365 -4.505 10.596 -2.055 1.00 0.00 C ATOM 1065 C VAL P 365 -4.370 11.424 -0.778 1.00 0.00 C ATOM 1066 O VAL P 365 -4.093 12.623 -0.826 1.00 0.00 O ATOM 1067 CB VAL P 365 -3.106 10.112 -2.507 1.00 0.00 C ATOM 1068 CG1 VAL P 365 -2.751 8.821 -1.797 1.00 0.00 C ATOM 1069 CG2 VAL P 365 -3.043 9.896 -4.009 1.00 0.00 C ATOM 0 H VAL P 365 -4.758 11.355 -4.000 1.00 0.00 H new ATOM 0 HA VAL P 365 -5.109 9.710 -1.859 1.00 0.00 H new ATOM 0 HB VAL P 365 -2.389 10.890 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL P 365 -1.765 8.487 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL P 365 -2.742 8.989 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL P 365 -3.490 8.057 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL P 365 -2.045 9.557 -4.286 1.00 0.00 H new ATOM 0 HG22 VAL P 365 -3.776 9.143 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL P 365 -3.263 10.833 -4.521 1.00 0.00 H new ATOM 1079 N PRO P 366 -4.588 10.789 0.387 1.00 0.00 N ATOM 1080 CA PRO P 366 -4.518 11.455 1.687 1.00 0.00 C ATOM 1081 C PRO P 366 -3.100 11.536 2.241 1.00 0.00 C ATOM 1082 O PRO P 366 -2.175 10.942 1.688 1.00 0.00 O ATOM 1083 CB PRO P 366 -5.376 10.547 2.566 1.00 0.00 C ATOM 1084 CG PRO P 366 -5.157 9.182 2.007 1.00 0.00 C ATOM 1085 CD PRO P 366 -4.941 9.361 0.523 1.00 0.00 C ATOM 0 HA PRO P 366 -4.851 12.491 1.635 1.00 0.00 H new ATOM 0 HB2 PRO P 366 -5.072 10.602 3.611 1.00 0.00 H new ATOM 0 HB3 PRO P 366 -6.428 10.830 2.524 1.00 0.00 H new ATOM 0 HG2 PRO P 366 -4.293 8.706 2.471 1.00 0.00 H new ATOM 0 HG3 PRO P 366 -6.017 8.540 2.200 1.00 0.00 H new ATOM 0 HD2 PRO P 366 -4.144 8.715 0.154 1.00 0.00 H new ATOM 0 HD3 PRO P 366 -5.839 9.115 -0.044 1.00 0.00 H new ATOM 1093 N PRO P 367 -2.915 12.262 3.359 1.00 0.00 N ATOM 1094 CA PRO P 367 -1.608 12.400 4.004 1.00 0.00 C ATOM 1095 C PRO P 367 -1.150 11.081 4.595 1.00 0.00 C ATOM 1096 O PRO P 367 -1.530 10.712 5.707 1.00 0.00 O ATOM 1097 CB PRO P 367 -1.862 13.420 5.108 1.00 0.00 C ATOM 1098 CG PRO P 367 -3.297 13.233 5.424 1.00 0.00 C ATOM 1099 CD PRO P 367 -3.962 12.985 4.102 1.00 0.00 C ATOM 0 HA PRO P 367 -0.826 12.705 3.309 1.00 0.00 H new ATOM 0 HB2 PRO P 367 -1.232 13.236 5.978 1.00 0.00 H new ATOM 0 HB3 PRO P 367 -1.653 14.436 4.772 1.00 0.00 H new ATOM 0 HG2 PRO P 367 -3.445 12.393 6.103 1.00 0.00 H new ATOM 0 HG3 PRO P 367 -3.711 14.115 5.914 1.00 0.00 H new ATOM 0 HD2 PRO P 367 -4.870 12.391 4.208 1.00 0.00 H new ATOM 0 HD3 PRO P 367 -4.245 13.914 3.607 1.00 0.00 H new ATOM 1107 N ARG P 368 -0.349 10.370 3.824 1.00 0.00 N ATOM 1108 CA ARG P 368 0.170 9.060 4.222 1.00 0.00 C ATOM 1109 C ARG P 368 0.549 9.009 5.696 1.00 0.00 C ATOM 1110 O ARG P 368 0.793 10.031 6.339 1.00 0.00 O ATOM 1111 CB ARG P 368 1.372 8.652 3.357 1.00 0.00 C ATOM 1112 CG ARG P 368 2.074 9.808 2.658 1.00 0.00 C ATOM 1113 CD ARG P 368 2.455 10.908 3.637 1.00 0.00 C ATOM 1114 NE ARG P 368 1.696 12.134 3.407 1.00 0.00 N ATOM 1115 CZ ARG P 368 1.961 12.999 2.431 1.00 0.00 C ATOM 1116 NH1 ARG P 368 2.967 12.778 1.594 1.00 0.00 N ATOM 1117 NH2 ARG P 368 1.217 14.088 2.291 1.00 0.00 N ATOM 0 H ARG P 368 -0.036 10.677 2.903 1.00 0.00 H new ATOM 0 HA ARG P 368 -0.640 8.348 4.063 1.00 0.00 H new ATOM 0 HB2 ARG P 368 2.095 8.132 3.986 1.00 0.00 H new ATOM 0 HB3 ARG P 368 1.035 7.940 2.603 1.00 0.00 H new ATOM 0 HG2 ARG P 368 2.969 9.441 2.157 1.00 0.00 H new ATOM 0 HG3 ARG P 368 1.422 10.217 1.886 1.00 0.00 H new ATOM 0 HD2 ARG P 368 2.283 10.561 4.656 1.00 0.00 H new ATOM 0 HD3 ARG P 368 3.521 11.119 3.548 1.00 0.00 H new ATOM 0 HE ARG P 368 0.916 12.340 4.032 1.00 0.00 H new ATOM 0 HH11 ARG P 368 3.542 11.942 1.697 1.00 0.00 H new ATOM 0 HH12 ARG P 368 3.165 13.444 0.848 1.00 0.00 H new ATOM 0 HH21 ARG P 368 0.442 14.262 2.931 1.00 0.00 H new ATOM 0 HH22 ARG P 368 1.420 14.751 1.543 1.00 0.00 H new ATOM 1131 N PRO P 369 0.588 7.786 6.231 1.00 0.00 N ATOM 1132 CA PRO P 369 0.921 7.514 7.633 1.00 0.00 C ATOM 1133 C PRO P 369 2.172 8.254 8.089 1.00 0.00 C ATOM 1134 O PRO P 369 2.834 8.922 7.295 1.00 0.00 O ATOM 1135 CB PRO P 369 1.142 6.006 7.630 1.00 0.00 C ATOM 1136 CG PRO P 369 0.235 5.517 6.554 1.00 0.00 C ATOM 1137 CD PRO P 369 0.300 6.552 5.485 1.00 0.00 C ATOM 0 HA PRO P 369 0.146 7.847 8.323 1.00 0.00 H new ATOM 0 HB2 PRO P 369 2.182 5.754 7.422 1.00 0.00 H new ATOM 0 HB3 PRO P 369 0.894 5.563 8.595 1.00 0.00 H new ATOM 0 HG2 PRO P 369 0.556 4.545 6.180 1.00 0.00 H new ATOM 0 HG3 PRO P 369 -0.784 5.396 6.923 1.00 0.00 H new ATOM 0 HD2 PRO P 369 1.080 6.330 4.756 1.00 0.00 H new ATOM 0 HD3 PRO P 369 -0.639 6.623 4.935 1.00 0.00 H new ATOM 1145 N SER P 370 2.490 8.136 9.373 1.00 0.00 N ATOM 1146 CA SER P 370 3.662 8.800 9.932 1.00 0.00 C ATOM 1147 C SER P 370 4.898 7.910 9.845 1.00 0.00 C ATOM 1148 O SER P 370 5.835 8.061 10.629 1.00 0.00 O ATOM 1149 CB SER P 370 3.405 9.191 11.388 1.00 0.00 C ATOM 1150 OG SER P 370 2.700 8.170 12.074 1.00 0.00 O ATOM 0 H SER P 370 1.954 7.588 10.046 1.00 0.00 H new ATOM 0 HA SER P 370 3.847 9.699 9.344 1.00 0.00 H new ATOM 0 HB2 SER P 370 4.354 9.382 11.889 1.00 0.00 H new ATOM 0 HB3 SER P 370 2.834 10.119 11.423 1.00 0.00 H new ATOM 0 HG SER P 370 2.550 8.444 13.003 1.00 0.00 H new ATOM 1156 N ALA P 371 4.898 6.982 8.889 1.00 0.00 N ATOM 1157 CA ALA P 371 6.022 6.068 8.699 1.00 0.00 C ATOM 1158 C ALA P 371 6.120 5.062 9.844 1.00 0.00 C ATOM 1159 O ALA P 371 6.096 3.852 9.620 1.00 0.00 O ATOM 1160 CB ALA P 371 7.325 6.845 8.555 1.00 0.00 C ATOM 0 H ALA P 371 4.130 6.844 8.233 1.00 0.00 H new ATOM 0 HA ALA P 371 5.846 5.510 7.779 1.00 0.00 H new ATOM 0 HB1 ALA P 371 8.151 6.148 8.414 1.00 0.00 H new ATOM 0 HB2 ALA P 371 7.260 7.509 7.693 1.00 0.00 H new ATOM 0 HB3 ALA P 371 7.498 7.435 9.455 1.00 0.00 H new ATOM 1166 N ASP P 372 6.236 5.559 11.067 1.00 0.00 N ATOM 1167 CA ASP P 372 6.338 4.688 12.230 1.00 0.00 C ATOM 1168 C ASP P 372 5.140 3.756 12.324 1.00 0.00 C ATOM 1169 O ASP P 372 5.312 2.548 12.483 1.00 0.00 O ATOM 1170 CB ASP P 372 6.472 5.511 13.512 1.00 0.00 C ATOM 1171 CG ASP P 372 5.310 6.465 13.711 1.00 0.00 C ATOM 1172 OD1 ASP P 372 4.235 6.006 14.148 1.00 0.00 O ATOM 1173 OD2 ASP P 372 5.477 7.671 13.430 1.00 0.00 O ATOM 0 H ASP P 372 6.262 6.556 11.280 1.00 0.00 H new ATOM 0 HA ASP P 372 7.234 4.079 12.112 1.00 0.00 H new ATOM 0 HB2 ASP P 372 6.537 4.838 14.367 1.00 0.00 H new ATOM 0 HB3 ASP P 372 7.403 6.078 13.481 1.00 0.00 H new ATOM 1178 N LEU P 373 3.918 4.287 12.212 1.00 0.00 N ATOM 1179 CA LEU P 373 2.760 3.410 12.279 1.00 0.00 C ATOM 1180 C LEU P 373 2.845 2.397 11.151 1.00 0.00 C ATOM 1181 O LEU P 373 2.397 1.268 11.297 1.00 0.00 O ATOM 1182 CB LEU P 373 1.412 4.182 12.334 1.00 0.00 C ATOM 1183 CG LEU P 373 0.687 4.599 11.028 1.00 0.00 C ATOM 1184 CD1 LEU P 373 0.913 3.654 9.866 1.00 0.00 C ATOM 1185 CD2 LEU P 373 -0.805 4.694 11.288 1.00 0.00 C ATOM 0 H LEU P 373 3.715 5.278 12.080 1.00 0.00 H new ATOM 0 HA LEU P 373 2.779 2.867 13.224 1.00 0.00 H new ATOM 0 HB2 LEU P 373 0.715 3.571 12.907 1.00 0.00 H new ATOM 0 HB3 LEU P 373 1.586 5.091 12.909 1.00 0.00 H new ATOM 0 HG LEU P 373 1.112 5.561 10.742 1.00 0.00 H new ATOM 0 HD11 LEU P 373 0.372 4.017 8.992 1.00 0.00 H new ATOM 0 HD12 LEU P 373 1.978 3.604 9.639 1.00 0.00 H new ATOM 0 HD13 LEU P 373 0.551 2.660 10.130 1.00 0.00 H new ATOM 0 HD21 LEU P 373 -1.316 4.987 10.371 1.00 0.00 H new ATOM 0 HD22 LEU P 373 -1.179 3.725 11.618 1.00 0.00 H new ATOM 0 HD23 LEU P 373 -0.993 5.438 12.062 1.00 0.00 H new ATOM 1197 N ILE P 374 3.483 2.793 10.045 1.00 0.00 N ATOM 1198 CA ILE P 374 3.681 1.888 8.922 1.00 0.00 C ATOM 1199 C ILE P 374 4.660 0.817 9.358 1.00 0.00 C ATOM 1200 O ILE P 374 4.471 -0.373 9.102 1.00 0.00 O ATOM 1201 CB ILE P 374 4.248 2.607 7.675 1.00 0.00 C ATOM 1202 CG1 ILE P 374 3.185 3.481 7.008 1.00 0.00 C ATOM 1203 CG2 ILE P 374 4.791 1.594 6.683 1.00 0.00 C ATOM 1204 CD1 ILE P 374 3.770 4.545 6.105 1.00 0.00 C ATOM 0 H ILE P 374 3.867 3.728 9.909 1.00 0.00 H new ATOM 0 HA ILE P 374 2.714 1.469 8.643 1.00 0.00 H new ATOM 0 HB ILE P 374 5.061 3.255 8.003 1.00 0.00 H new ATOM 0 HG12 ILE P 374 2.516 2.847 6.426 1.00 0.00 H new ATOM 0 HG13 ILE P 374 2.581 3.960 7.779 1.00 0.00 H new ATOM 0 HG21 ILE P 374 5.186 2.115 5.811 1.00 0.00 H new ATOM 0 HG22 ILE P 374 5.587 1.016 7.152 1.00 0.00 H new ATOM 0 HG23 ILE P 374 3.990 0.923 6.373 1.00 0.00 H new ATOM 0 HD11 ILE P 374 2.964 5.130 5.663 1.00 0.00 H new ATOM 0 HD12 ILE P 374 4.417 5.201 6.687 1.00 0.00 H new ATOM 0 HD13 ILE P 374 4.351 4.071 5.314 1.00 0.00 H new ATOM 1216 N LEU P 375 5.699 1.268 10.050 1.00 0.00 N ATOM 1217 CA LEU P 375 6.721 0.383 10.575 1.00 0.00 C ATOM 1218 C LEU P 375 6.082 -0.643 11.505 1.00 0.00 C ATOM 1219 O LEU P 375 6.629 -1.719 11.741 1.00 0.00 O ATOM 1220 CB LEU P 375 7.790 1.213 11.299 1.00 0.00 C ATOM 1221 CG LEU P 375 8.698 2.017 10.366 1.00 0.00 C ATOM 1222 CD1 LEU P 375 9.066 3.357 10.982 1.00 0.00 C ATOM 1223 CD2 LEU P 375 9.960 1.233 10.033 1.00 0.00 C ATOM 0 H LEU P 375 5.853 2.254 10.260 1.00 0.00 H new ATOM 0 HA LEU P 375 7.204 -0.158 9.761 1.00 0.00 H new ATOM 0 HB2 LEU P 375 7.297 1.899 11.988 1.00 0.00 H new ATOM 0 HB3 LEU P 375 8.406 0.545 11.901 1.00 0.00 H new ATOM 0 HG LEU P 375 8.145 2.201 9.445 1.00 0.00 H new ATOM 0 HD11 LEU P 375 9.712 3.907 10.297 1.00 0.00 H new ATOM 0 HD12 LEU P 375 8.160 3.933 11.168 1.00 0.00 H new ATOM 0 HD13 LEU P 375 9.591 3.193 11.923 1.00 0.00 H new ATOM 0 HD21 LEU P 375 10.591 1.824 9.369 1.00 0.00 H new ATOM 0 HD22 LEU P 375 10.505 1.014 10.951 1.00 0.00 H new ATOM 0 HD23 LEU P 375 9.689 0.299 9.541 1.00 0.00 H new ATOM 1235 N ASN P 376 4.897 -0.298 12.004 1.00 0.00 N ATOM 1236 CA ASN P 376 4.137 -1.171 12.883 1.00 0.00 C ATOM 1237 C ASN P 376 3.196 -2.070 12.077 1.00 0.00 C ATOM 1238 O ASN P 376 2.407 -2.822 12.648 1.00 0.00 O ATOM 1239 CB ASN P 376 3.322 -0.327 13.866 1.00 0.00 C ATOM 1240 CG ASN P 376 3.448 -0.815 15.295 1.00 0.00 C ATOM 1241 OD1 ASN P 376 2.450 -0.979 15.997 1.00 0.00 O ATOM 1242 ND2 ASN P 376 4.679 -1.047 15.735 1.00 0.00 N ATOM 0 H ASN P 376 4.441 0.593 11.808 1.00 0.00 H new ATOM 0 HA ASN P 376 4.836 -1.803 13.431 1.00 0.00 H new ATOM 0 HB2 ASN P 376 3.652 0.710 13.810 1.00 0.00 H new ATOM 0 HB3 ASN P 376 2.273 -0.344 13.571 1.00 0.00 H new ATOM 0 HD21 ASN P 376 4.826 -1.375 16.690 1.00 0.00 H new ATOM 0 HD22 ASN P 376 5.478 -0.898 15.118 1.00 0.00 H new ATOM 1249 N ARG P 377 3.264 -1.972 10.747 1.00 0.00 N ATOM 1250 CA ARG P 377 2.393 -2.763 9.879 1.00 0.00 C ATOM 1251 C ARG P 377 3.001 -2.961 8.488 1.00 0.00 C ATOM 1252 O ARG P 377 2.351 -2.693 7.475 1.00 0.00 O ATOM 1253 CB ARG P 377 1.019 -2.088 9.752 1.00 0.00 C ATOM 1254 CG ARG P 377 1.064 -0.569 9.868 1.00 0.00 C ATOM 1255 CD ARG P 377 0.049 -0.040 10.877 1.00 0.00 C ATOM 1256 NE ARG P 377 0.078 -0.792 12.131 1.00 0.00 N ATOM 1257 CZ ARG P 377 -0.798 -0.622 13.117 1.00 0.00 C ATOM 1258 NH1 ARG P 377 -1.775 0.270 13.002 1.00 0.00 N ATOM 1259 NH2 ARG P 377 -0.700 -1.348 14.223 1.00 0.00 N ATOM 0 H ARG P 377 3.909 -1.357 10.252 1.00 0.00 H new ATOM 0 HA ARG P 377 2.279 -3.745 10.338 1.00 0.00 H new ATOM 0 HB2 ARG P 377 0.581 -2.356 8.791 1.00 0.00 H new ATOM 0 HB3 ARG P 377 0.359 -2.482 10.524 1.00 0.00 H new ATOM 0 HG2 ARG P 377 2.066 -0.258 10.165 1.00 0.00 H new ATOM 0 HG3 ARG P 377 0.869 -0.125 8.892 1.00 0.00 H new ATOM 0 HD2 ARG P 377 0.254 1.011 11.080 1.00 0.00 H new ATOM 0 HD3 ARG P 377 -0.951 -0.092 10.446 1.00 0.00 H new ATOM 0 HE ARG P 377 0.813 -1.488 12.257 1.00 0.00 H new ATOM 0 HH11 ARG P 377 -1.857 0.830 12.153 1.00 0.00 H new ATOM 0 HH12 ARG P 377 -2.443 0.395 13.762 1.00 0.00 H new ATOM 0 HH21 ARG P 377 0.047 -2.036 14.317 1.00 0.00 H new ATOM 0 HH22 ARG P 377 -1.372 -1.218 14.980 1.00 0.00 H new ATOM 1273 N CYS P 378 4.238 -3.447 8.435 1.00 0.00 N ATOM 1274 CA CYS P 378 4.904 -3.693 7.156 1.00 0.00 C ATOM 1275 C CYS P 378 6.034 -4.707 7.305 1.00 0.00 C ATOM 1276 O CYS P 378 6.518 -4.957 8.408 1.00 0.00 O ATOM 1277 CB CYS P 378 5.437 -2.390 6.550 1.00 0.00 C ATOM 1278 SG CYS P 378 4.260 -1.550 5.465 1.00 0.00 S ATOM 0 H CYS P 378 4.798 -3.678 9.256 1.00 0.00 H new ATOM 0 HA CYS P 378 4.159 -4.109 6.478 1.00 0.00 H new ATOM 0 HB2 CYS P 378 5.718 -1.714 7.357 1.00 0.00 H new ATOM 0 HB3 CYS P 378 6.344 -2.608 5.986 1.00 0.00 H new ATOM 0 HG CYS P 378 3.048 -1.799 5.864 1.00 0.00 H new ATOM 1284 N SER P 379 6.441 -5.292 6.182 1.00 0.00 N ATOM 1285 CA SER P 379 7.507 -6.288 6.173 1.00 0.00 C ATOM 1286 C SER P 379 8.823 -5.691 6.662 1.00 0.00 C ATOM 1287 O SER P 379 9.196 -5.853 7.824 1.00 0.00 O ATOM 1288 CB SER P 379 7.679 -6.864 4.761 1.00 0.00 C ATOM 1289 OG SER P 379 7.267 -8.218 4.709 1.00 0.00 O ATOM 0 H SER P 379 6.046 -5.092 5.263 1.00 0.00 H new ATOM 0 HA SER P 379 7.227 -7.091 6.855 1.00 0.00 H new ATOM 0 HB2 SER P 379 7.097 -6.276 4.052 1.00 0.00 H new ATOM 0 HB3 SER P 379 8.723 -6.786 4.458 1.00 0.00 H new ATOM 0 HG SER P 379 7.385 -8.561 3.799 1.00 0.00 H new ATOM 1295 N GLU P 380 9.523 -4.999 5.767 1.00 0.00 N ATOM 1296 CA GLU P 380 10.796 -4.378 6.104 1.00 0.00 C ATOM 1297 C GLU P 380 11.270 -3.484 4.967 1.00 0.00 C ATOM 1298 O GLU P 380 11.748 -2.372 5.194 1.00 0.00 O ATOM 1299 CB GLU P 380 11.849 -5.447 6.404 1.00 0.00 C ATOM 1300 CG GLU P 380 12.878 -5.016 7.437 1.00 0.00 C ATOM 1301 CD GLU P 380 14.106 -5.904 7.442 1.00 0.00 C ATOM 1302 OE1 GLU P 380 13.999 -7.070 7.006 1.00 0.00 O ATOM 1303 OE2 GLU P 380 15.176 -5.434 7.881 1.00 0.00 O ATOM 0 H GLU P 380 9.227 -4.855 4.801 1.00 0.00 H new ATOM 0 HA GLU P 380 10.653 -3.766 6.995 1.00 0.00 H new ATOM 0 HB2 GLU P 380 11.349 -6.349 6.757 1.00 0.00 H new ATOM 0 HB3 GLU P 380 12.363 -5.708 5.479 1.00 0.00 H new ATOM 0 HG2 GLU P 380 13.179 -3.987 7.238 1.00 0.00 H new ATOM 0 HG3 GLU P 380 12.421 -5.028 8.427 1.00 0.00 H new ATOM 1310 N SER P 381 11.124 -3.972 3.737 1.00 0.00 N ATOM 1311 CA SER P 381 11.528 -3.211 2.561 1.00 0.00 C ATOM 1312 C SER P 381 10.821 -1.860 2.539 1.00 0.00 C ATOM 1313 O SER P 381 11.436 -0.830 2.264 1.00 0.00 O ATOM 1314 CB SER P 381 11.214 -3.992 1.285 1.00 0.00 C ATOM 1315 OG SER P 381 12.280 -4.860 0.942 1.00 0.00 O ATOM 0 H SER P 381 10.729 -4.890 3.531 1.00 0.00 H new ATOM 0 HA SER P 381 12.604 -3.044 2.609 1.00 0.00 H new ATOM 0 HB2 SER P 381 10.301 -4.570 1.425 1.00 0.00 H new ATOM 0 HB3 SER P 381 11.029 -3.297 0.466 1.00 0.00 H new ATOM 0 HG SER P 381 12.053 -5.349 0.123 1.00 0.00 H new ATOM 1321 N THR P 382 9.528 -1.874 2.850 1.00 0.00 N ATOM 1322 CA THR P 382 8.741 -0.649 2.886 1.00 0.00 C ATOM 1323 C THR P 382 9.207 0.233 4.035 1.00 0.00 C ATOM 1324 O THR P 382 9.247 1.458 3.922 1.00 0.00 O ATOM 1325 CB THR P 382 7.251 -0.971 3.048 1.00 0.00 C ATOM 1326 OG1 THR P 382 6.762 -1.682 1.925 1.00 0.00 O ATOM 1327 CG2 THR P 382 6.387 0.261 3.224 1.00 0.00 C ATOM 0 H THR P 382 9.005 -2.719 3.080 1.00 0.00 H new ATOM 0 HA THR P 382 8.882 -0.118 1.945 1.00 0.00 H new ATOM 0 HB THR P 382 7.186 -1.574 3.954 1.00 0.00 H new ATOM 0 HG1 THR P 382 5.944 -2.162 2.172 1.00 0.00 H new ATOM 0 HG21 THR P 382 5.345 -0.038 3.333 1.00 0.00 H new ATOM 0 HG22 THR P 382 6.704 0.803 4.115 1.00 0.00 H new ATOM 0 HG23 THR P 382 6.490 0.905 2.351 1.00 0.00 H new ATOM 1335 N LYS P 383 9.558 -0.410 5.140 1.00 0.00 N ATOM 1336 CA LYS P 383 10.025 0.293 6.324 1.00 0.00 C ATOM 1337 C LYS P 383 11.342 1.009 6.048 1.00 0.00 C ATOM 1338 O LYS P 383 11.565 2.124 6.520 1.00 0.00 O ATOM 1339 CB LYS P 383 10.191 -0.693 7.478 1.00 0.00 C ATOM 1340 CG LYS P 383 8.881 -1.035 8.167 1.00 0.00 C ATOM 1341 CD LYS P 383 8.971 -2.347 8.927 1.00 0.00 C ATOM 1342 CE LYS P 383 10.059 -2.306 9.989 1.00 0.00 C ATOM 1343 NZ LYS P 383 10.424 -3.669 10.466 1.00 0.00 N ATOM 0 H LYS P 383 9.527 -1.425 5.240 1.00 0.00 H new ATOM 0 HA LYS P 383 9.283 1.044 6.597 1.00 0.00 H new ATOM 0 HB2 LYS P 383 10.646 -1.609 7.102 1.00 0.00 H new ATOM 0 HB3 LYS P 383 10.880 -0.272 8.210 1.00 0.00 H new ATOM 0 HG2 LYS P 383 8.612 -0.234 8.855 1.00 0.00 H new ATOM 0 HG3 LYS P 383 8.085 -1.098 7.425 1.00 0.00 H new ATOM 0 HD2 LYS P 383 8.011 -2.562 9.397 1.00 0.00 H new ATOM 0 HD3 LYS P 383 9.174 -3.159 8.229 1.00 0.00 H new ATOM 0 HE2 LYS P 383 10.943 -1.815 9.583 1.00 0.00 H new ATOM 0 HE3 LYS P 383 9.720 -1.705 10.833 1.00 0.00 H new ATOM 0 HZ1 LYS P 383 11.168 -3.596 11.189 1.00 0.00 H new ATOM 0 HZ2 LYS P 383 9.587 -4.129 10.877 1.00 0.00 H new ATOM 0 HZ3 LYS P 383 10.772 -4.235 9.666 1.00 0.00 H new ATOM 1357 N ARG P 384 12.211 0.363 5.276 1.00 0.00 N ATOM 1358 CA ARG P 384 13.504 0.943 4.931 1.00 0.00 C ATOM 1359 C ARG P 384 13.323 2.300 4.260 1.00 0.00 C ATOM 1360 O ARG P 384 14.166 3.187 4.387 1.00 0.00 O ATOM 1361 CB ARG P 384 14.279 0.001 4.007 1.00 0.00 C ATOM 1362 CG ARG P 384 14.992 -1.122 4.740 1.00 0.00 C ATOM 1363 CD ARG P 384 16.272 -0.633 5.398 1.00 0.00 C ATOM 1364 NE ARG P 384 17.344 -1.623 5.314 1.00 0.00 N ATOM 1365 CZ ARG P 384 18.564 -1.439 5.812 1.00 0.00 C ATOM 1366 NH1 ARG P 384 18.871 -0.307 6.431 1.00 0.00 N ATOM 1367 NH2 ARG P 384 19.480 -2.391 5.692 1.00 0.00 N ATOM 0 H ARG P 384 12.043 -0.561 4.878 1.00 0.00 H new ATOM 0 HA ARG P 384 14.072 1.083 5.851 1.00 0.00 H new ATOM 0 HB2 ARG P 384 13.590 -0.431 3.281 1.00 0.00 H new ATOM 0 HB3 ARG P 384 15.012 0.579 3.445 1.00 0.00 H new ATOM 0 HG2 ARG P 384 14.330 -1.542 5.497 1.00 0.00 H new ATOM 0 HG3 ARG P 384 15.225 -1.924 4.040 1.00 0.00 H new ATOM 0 HD2 ARG P 384 16.595 0.292 4.920 1.00 0.00 H new ATOM 0 HD3 ARG P 384 16.075 -0.400 6.444 1.00 0.00 H new ATOM 0 HE ARG P 384 17.145 -2.507 4.846 1.00 0.00 H new ATOM 0 HH11 ARG P 384 18.170 0.428 6.527 1.00 0.00 H new ATOM 0 HH12 ARG P 384 19.808 -0.171 6.811 1.00 0.00 H new ATOM 0 HH21 ARG P 384 19.249 -3.264 5.218 1.00 0.00 H new ATOM 0 HH22 ARG P 384 20.415 -2.250 6.074 1.00 0.00 H new ATOM 1381 N LYS P 385 12.211 2.452 3.548 1.00 0.00 N ATOM 1382 CA LYS P 385 11.906 3.698 2.858 1.00 0.00 C ATOM 1383 C LYS P 385 11.566 4.801 3.857 1.00 0.00 C ATOM 1384 O LYS P 385 11.763 5.985 3.582 1.00 0.00 O ATOM 1385 CB LYS P 385 10.744 3.493 1.885 1.00 0.00 C ATOM 1386 CG LYS P 385 11.083 2.579 0.717 1.00 0.00 C ATOM 1387 CD LYS P 385 10.045 1.483 0.537 1.00 0.00 C ATOM 1388 CE LYS P 385 9.493 1.462 -0.880 1.00 0.00 C ATOM 1389 NZ LYS P 385 10.190 0.463 -1.735 1.00 0.00 N ATOM 0 H LYS P 385 11.505 1.725 3.434 1.00 0.00 H new ATOM 0 HA LYS P 385 12.789 4.003 2.296 1.00 0.00 H new ATOM 0 HB2 LYS P 385 9.896 3.076 2.428 1.00 0.00 H new ATOM 0 HB3 LYS P 385 10.430 4.462 1.498 1.00 0.00 H new ATOM 0 HG2 LYS P 385 11.152 3.168 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS P 385 12.062 2.129 0.880 1.00 0.00 H new ATOM 0 HD2 LYS P 385 10.492 0.516 0.768 1.00 0.00 H new ATOM 0 HD3 LYS P 385 9.229 1.634 1.244 1.00 0.00 H new ATOM 0 HE2 LYS P 385 8.428 1.234 -0.851 1.00 0.00 H new ATOM 0 HE3 LYS P 385 9.595 2.453 -1.323 1.00 0.00 H new ATOM 0 HZ1 LYS P 385 10.351 0.867 -2.680 1.00 0.00 H new ATOM 0 HZ2 LYS P 385 11.103 0.214 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS P 385 9.603 -0.391 -1.820 1.00 0.00 H new ATOM 1403 N LEU P 386 11.059 4.401 5.021 1.00 0.00 N ATOM 1404 CA LEU P 386 10.696 5.353 6.067 1.00 0.00 C ATOM 1405 C LEU P 386 11.570 5.160 7.302 1.00 0.00 C ATOM 1406 O LEU P 386 11.132 5.395 8.428 1.00 0.00 O ATOM 1407 CB LEU P 386 9.219 5.203 6.447 1.00 0.00 C ATOM 1408 CG LEU P 386 8.636 3.797 6.284 1.00 0.00 C ATOM 1409 CD1 LEU P 386 7.648 3.496 7.397 1.00 0.00 C ATOM 1410 CD2 LEU P 386 7.966 3.652 4.926 1.00 0.00 C ATOM 0 H LEU P 386 10.890 3.425 5.263 1.00 0.00 H new ATOM 0 HA LEU P 386 10.859 6.357 5.676 1.00 0.00 H new ATOM 0 HB2 LEU P 386 9.096 5.510 7.486 1.00 0.00 H new ATOM 0 HB3 LEU P 386 8.634 5.893 5.839 1.00 0.00 H new ATOM 0 HG LEU P 386 9.453 3.078 6.345 1.00 0.00 H new ATOM 0 HD11 LEU P 386 7.244 2.492 7.264 1.00 0.00 H new ATOM 0 HD12 LEU P 386 8.155 3.558 8.360 1.00 0.00 H new ATOM 0 HD13 LEU P 386 6.835 4.221 7.367 1.00 0.00 H new ATOM 0 HD21 LEU P 386 7.557 2.646 4.827 1.00 0.00 H new ATOM 0 HD22 LEU P 386 7.161 4.381 4.838 1.00 0.00 H new ATOM 0 HD23 LEU P 386 8.699 3.824 4.138 1.00 0.00 H new